data_c25209_2muf ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25209_2muf _Entry.Title ; Binding activity, structure, and immunogenicity of synthetic peptides derived from Plasmodium falciparum CelTOS and TRSP proteins ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-09 _Entry.Accession_date 2014-09-09 _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 Hernando Curtidor . . . c25209_2muf 2 Gabriela Arevalo-Pinzon . . . c25209_2muf 3 Adriana Bermudez . . . c25209_2muf 4 Dayana Calderon . . . c25209_2muf 5 Magnolia Vanegas . . . c25209_2muf 6 Liliana 'Pati o' . . . c25209_2muf 7 'Manuel A' Patarroyo . . . c25209_2muf 8 'Manuel E' Patarroyo . . . c25209_2muf 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' . c25209_2muf stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRSP . c25209_2muf 'Plasmodium falciparum' . c25209_2muf peptide . c25209_2muf Vaccine . c25209_2muf stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25209_2muf stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 147 c25209_2muf 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 2014-09-09 original author . c25209_2muf stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MUF 'BMRB Entry Tracking System' c25209_2muf BMRB 25211 'peptide 6762' c25209_2muf stop_ save_ ############### # Citations # ############### save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID c25209_2muf _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21952731 _Citation.Full_citation . _Citation.Title ; Binding activity, structure, and immunogenicity of synthetic peptides derived from Plasmodium falciparum CelTOS and TRSP proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Amino Acids' _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 365 _Citation.Page_last 378 _Citation.Year 2012 _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 Hernando Curtidor H. . . c25209_2muf 1 2 Gabriela Arevalo-Pinzon G. . . c25209_2muf 1 3 Adriana Bermudez A. . . c25209_2muf 1 4 Dayana Calderon D. . . c25209_2muf 1 5 Magnolia Vanegas M. . . c25209_2muf 1 6 Liliana Patino L. C. . c25209_2muf 1 7 Manuel Patarroyo M. A. . c25209_2muf 1 8 Manuel Patarroyo M. E. . c25209_2muf 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25209_2muf _Assembly.ID 1 _Assembly.Name 'synthetic peptide 36075' _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 'peptide 36075' 1 $entity A . yes native no no . . . c25209_2muf 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c25209_2muf _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 SDVRYNKSFINNRLLNEHAH _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 2432.697 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-08-05 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 CAD49000 . 'Sporozoite stage TSP1 domain protein, S21 [Plasmodium falciparum 3D7]' . . . . . 100.00 163 100.00 100.00 2.76e-04 . . . . c25209_2muf 1 2 no EMBL CDO62139 . 'sporozoite stage TSP1 domain protein, S21 [Plasmodium reichenowi]' . . . . . 100.00 163 100.00 100.00 3.36e-04 . . . . c25209_2muf 1 3 no GB AEX93052 . 'TRSP, partial [Plasmodium falciparum]' . . . . . 100.00 100 100.00 100.00 1.66e-04 . . . . c25209_2muf 1 4 no GB ETW21022 . 'hypothetical protein PFFVO_00028 [Plasmodium falciparum Vietnam Oak-Knoll (FVO)]' . . . . . 100.00 1225 100.00 100.00 3.14e-03 . . . . c25209_2muf 1 5 no GB ETW28237 . 'hypothetical protein PFFCH_04394 [Plasmodium falciparum FCH/4]' . . . . . 100.00 153 100.00 100.00 2.53e-04 . . . . c25209_2muf 1 6 no GB ETW39268 . 'hypothetical protein PFTANZ_00042 [Plasmodium falciparum Tanzania (2000708)]' . . . . . 100.00 145 100.00 100.00 2.11e-04 . . . . c25209_2muf 1 7 no GB ETW45517 . 'hypothetical protein PFNF135_00039 [Plasmodium falciparum NF135/5.C10]' . . . . . 100.00 148 100.00 100.00 1.98e-04 . . . . c25209_2muf 1 8 no REF XP_001350972 . 'Sporozoite stage TSP1 domain protein, S21 [Plasmodium falciparum 3D7]' . . . . . 100.00 163 100.00 100.00 2.76e-04 . . . . c25209_2muf 1 9 no REF XP_012760794 . 'sporozoite stage TSP1 domain protein, S21 [Plasmodium reichenowi]' . . . . . 100.00 163 100.00 100.00 3.36e-04 . . . . c25209_2muf 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 SER . c25209_2muf 1 2 2 ASP . c25209_2muf 1 3 3 VAL . c25209_2muf 1 4 4 ARG . c25209_2muf 1 5 5 TYR . c25209_2muf 1 6 6 ASN . c25209_2muf 1 7 7 LYS . c25209_2muf 1 8 8 SER . c25209_2muf 1 9 9 PHE . c25209_2muf 1 10 10 ILE . c25209_2muf 1 11 11 ASN . c25209_2muf 1 12 12 ASN . c25209_2muf 1 13 13 ARG . c25209_2muf 1 14 14 LEU . c25209_2muf 1 15 15 LEU . c25209_2muf 1 16 16 ASN . c25209_2muf 1 17 17 GLU . c25209_2muf 1 18 18 HIS . c25209_2muf 1 19 19 ALA . c25209_2muf 1 20 20 HIS . c25209_2muf 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 . SER 1 1 c25209_2muf 1 . ASP 2 2 c25209_2muf 1 . VAL 3 3 c25209_2muf 1 . ARG 4 4 c25209_2muf 1 . TYR 5 5 c25209_2muf 1 . ASN 6 6 c25209_2muf 1 . LYS 7 7 c25209_2muf 1 . SER 8 8 c25209_2muf 1 . PHE 9 9 c25209_2muf 1 . ILE 10 10 c25209_2muf 1 . ASN 11 11 c25209_2muf 1 . ASN 12 12 c25209_2muf 1 . ARG 13 13 c25209_2muf 1 . LEU 14 14 c25209_2muf 1 . LEU 15 15 c25209_2muf 1 . ASN 16 16 c25209_2muf 1 . GLU 17 17 c25209_2muf 1 . HIS 18 18 c25209_2muf 1 . ALA 19 19 c25209_2muf 1 . HIS 20 20 c25209_2muf 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 c25209_2muf _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 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c25209_2muf 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 c25209_2muf _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c25209_2muf 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25209_2muf _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'peptide 36075' 'natural abundance' . . 1 $entity . . 8 . . mM . . . . c25209_2muf 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 c25209_2muf _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 c25209_2muf 1 pH 3.7 . pH c25209_2muf 1 pressure 1 . atm c25209_2muf 1 stop_ save_ ############################ # Computer software used # ############################ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID c25209_2muf _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.' . . c25209_2muf 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c25209_2muf 1 refinement c25209_2muf 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 c25209_2muf _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 c25209_2muf _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 . . . c25209_2muf 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 c25209_2muf _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25209_2muf 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25209_2muf 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25209_2muf 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 c25209_2muf _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 . . . . . . . . . c25209_2muf 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 c25209_2muf _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' . . . c25209_2muf 1 3 '2D 1H-1H NOESY' . . . c25209_2muf 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 SER HA H 1 4.000 0.02 . 1 . . . A 1 SER HA . c25209_2muf 1 2 . 1 1 1 1 SER HB2 H 1 3.700 0.02 . 1 . . . A 1 SER HB2 . c25209_2muf 1 3 . 1 1 1 1 SER HB3 H 1 3.700 0.02 . 1 . . . A 1 SER HB3 . c25209_2muf 1 4 . 1 1 1 1 SER H H 1 8.050 0.02 . 1 . . . A 1 SER H1 . c25209_2muf 1 5 . 1 1 2 2 ASP H H 1 8.620 0.02 . 1 . . . A 2 ASP H . c25209_2muf 1 6 . 1 1 2 2 ASP HA H 1 4.700 0.02 . 1 . . . A 2 ASP HA . c25209_2muf 1 7 . 1 1 2 2 ASP HB2 H 1 2.750 0.02 . 2 . . . A 2 ASP HB2 . c25209_2muf 1 8 . 1 1 2 2 ASP HB3 H 1 2.620 0.02 . 2 . . . A 2 ASP HB3 . c25209_2muf 1 9 . 1 1 3 3 VAL H H 1 8.110 0.02 . 1 . . . A 3 VAL H . c25209_2muf 1 10 . 1 1 3 3 VAL HA H 1 3.900 0.02 . 1 . . . A 3 VAL HA . c25209_2muf 1 11 . 1 1 3 3 VAL HB H 1 2.000 0.02 . 1 . . . A 3 VAL HB . c25209_2muf 1 12 . 1 1 3 3 VAL HG11 H 1 0.800 0.02 . 1 . . . A 3 VAL HG11 . c25209_2muf 1 13 . 1 1 3 3 VAL HG12 H 1 0.800 0.02 . 1 . . . A 3 VAL HG12 . c25209_2muf 1 14 . 1 1 3 3 VAL HG13 H 1 0.800 0.02 . 1 . . . A 3 VAL HG13 . c25209_2muf 1 15 . 1 1 3 3 VAL HG21 H 1 0.800 0.02 . 1 . . . A 3 VAL HG21 . c25209_2muf 1 16 . 1 1 3 3 VAL HG22 H 1 0.800 0.02 . 1 . . . A 3 VAL HG22 . c25209_2muf 1 17 . 1 1 3 3 VAL HG23 H 1 0.800 0.02 . 1 . . . A 3 VAL HG23 . c25209_2muf 1 18 . 1 1 4 4 ARG H H 1 8.150 0.02 . 1 . . . A 4 ARG H . c25209_2muf 1 19 . 1 1 4 4 ARG HA H 1 3.950 0.02 . 1 . . . A 4 ARG HA . c25209_2muf 1 20 . 1 1 4 4 ARG HB2 H 1 1.610 0.02 . 1 . . . A 4 ARG HB2 . c25209_2muf 1 21 . 1 1 4 4 ARG HB3 H 1 1.610 0.02 . 1 . . . A 4 ARG HB3 . c25209_2muf 1 22 . 1 1 4 4 ARG HG2 H 1 1.490 0.02 . 1 . . . A 4 ARG HG2 . c25209_2muf 1 23 . 1 1 4 4 ARG HG3 H 1 1.490 0.02 . 1 . . . A 4 ARG HG3 . c25209_2muf 1 24 . 1 1 4 4 ARG HD2 H 1 3.120 0.02 . 1 . . . A 4 ARG HD2 . c25209_2muf 1 25 . 1 1 4 4 ARG HD3 H 1 3.120 0.02 . 1 . . . A 4 ARG HD3 . c25209_2muf 1 26 . 1 1 4 4 ARG HH11 H 1 7.320 0.02 . 1 . . . A 4 ARG HH11 . c25209_2muf 1 27 . 1 1 4 4 ARG HH12 H 1 7.320 0.02 . 1 . . . A 4 ARG HH12 . c25209_2muf 1 28 . 1 1 5 5 TYR H H 1 7.680 0.02 . 1 . . . A 5 TYR H . c25209_2muf 1 29 . 1 1 5 5 TYR HA H 1 4.320 0.02 . 1 . . . A 5 TYR HA . c25209_2muf 1 30 . 1 1 5 5 TYR HB2 H 1 3.000 0.02 . 2 . . . A 5 TYR HB2 . c25209_2muf 1 31 . 1 1 5 5 TYR HB3 H 1 2.800 0.02 . 2 . . . A 5 TYR HB3 . c25209_2muf 1 32 . 1 1 5 5 TYR HD1 H 1 7.400 0.02 . 1 . . . A 5 TYR HD1 . c25209_2muf 1 33 . 1 1 5 5 TYR HD2 H 1 7.400 0.02 . 1 . . . A 5 TYR HD2 . c25209_2muf 1 34 . 1 1 5 5 TYR HE1 H 1 7.430 0.02 . 1 . . . A 5 TYR HE1 . c25209_2muf 1 35 . 1 1 5 5 TYR HE2 H 1 7.430 0.02 . 1 . . . A 5 TYR HE2 . c25209_2muf 1 36 . 1 1 6 6 ASN H H 1 8.000 0.02 . 1 . . . A 6 ASN H . c25209_2muf 1 37 . 1 1 6 6 ASN HA H 1 4.350 0.02 . 1 . . . A 6 ASN HA . c25209_2muf 1 38 . 1 1 6 6 ASN HB2 H 1 2.750 0.02 . 2 . . . A 6 ASN HB2 . c25209_2muf 1 39 . 1 1 6 6 ASN HB3 H 1 2.700 0.02 . 2 . . . A 6 ASN HB3 . c25209_2muf 1 40 . 1 1 6 6 ASN HD21 H 1 6.950 0.02 . 2 . . . A 6 ASN HD21 . c25209_2muf 1 41 . 1 1 6 6 ASN HD22 H 1 7.400 0.02 . 2 . . . A 6 ASN HD22 . c25209_2muf 1 42 . 1 1 7 7 LYS H H 1 7.960 0.02 . 1 . . . A 7 LYS H . c25209_2muf 1 43 . 1 1 7 7 LYS HA H 1 3.950 0.02 . 1 . . . A 7 LYS HA . c25209_2muf 1 44 . 1 1 7 7 LYS HB2 H 1 1.790 0.02 . 1 . . . A 7 LYS HB2 . c25209_2muf 1 45 . 1 1 7 7 LYS HB3 H 1 1.790 0.02 . 1 . . . A 7 LYS HB3 . c25209_2muf 1 46 . 1 1 7 7 LYS HG2 H 1 1.490 0.02 . 1 . . . A 7 LYS HG2 . c25209_2muf 1 47 . 1 1 7 7 LYS HG3 H 1 1.490 0.02 . 1 . . . A 7 LYS HG3 . c25209_2muf 1 48 . 1 1 7 7 LYS HD2 H 1 1.600 0.02 . 1 . . . A 7 LYS HD2 . c25209_2muf 1 49 . 1 1 7 7 LYS HD3 H 1 1.600 0.02 . 1 . . . A 7 LYS HD3 . c25209_2muf 1 50 . 1 1 7 7 LYS HE2 H 1 2.950 0.02 . 1 . . . A 7 LYS HE2 . c25209_2muf 1 51 . 1 1 7 7 LYS HE3 H 1 2.950 0.02 . 1 . . . A 7 LYS HE3 . c25209_2muf 1 52 . 1 1 8 8 SER H H 1 8.050 0.02 . 1 . . . A 8 SER H . c25209_2muf 1 53 . 1 1 8 8 SER HA H 1 4.200 0.02 . 1 . . . A 8 SER HA . c25209_2muf 1 54 . 1 1 8 8 SER HB2 H 1 3.700 0.02 . 1 . . . A 8 SER HB2 . c25209_2muf 1 55 . 1 1 8 8 SER HB3 H 1 3.700 0.02 . 1 . . . A 8 SER HB3 . c25209_2muf 1 56 . 1 1 9 9 PHE H H 1 7.920 0.02 . 1 . . . A 9 PHE H . c25209_2muf 1 57 . 1 1 9 9 PHE HA H 1 4.450 0.02 . 1 . . . A 9 PHE HA . c25209_2muf 1 58 . 1 1 9 9 PHE HB2 H 1 3.150 0.02 . 2 . . . A 9 PHE HB2 . c25209_2muf 1 59 . 1 1 9 9 PHE HB3 H 1 3.000 0.02 . 2 . . . A 9 PHE HB3 . c25209_2muf 1 60 . 1 1 9 9 PHE HD1 H 1 7.390 0.02 . 3 . . . A 9 PHE HD1 . c25209_2muf 1 61 . 1 1 9 9 PHE HD2 H 1 7.280 0.02 . 1 . . . A 9 PHE HD2 . c25209_2muf 1 62 . 1 1 9 9 PHE HE1 H 1 7.390 0.02 . 1 . . . A 9 PHE HE1 . c25209_2muf 1 63 . 1 1 9 9 PHE HE2 H 1 7.390 0.02 . 3 . . . A 9 PHE HE2 . c25209_2muf 1 64 . 1 1 10 10 ILE H H 1 7.820 0.02 . 1 . . . A 10 ILE H . c25209_2muf 1 65 . 1 1 10 10 ILE HA H 1 3.620 0.02 . 1 . . . A 10 ILE HA . c25209_2muf 1 66 . 1 1 10 10 ILE HB H 1 1.790 0.02 . 1 . . . A 10 ILE HB . c25209_2muf 1 67 . 1 1 10 10 ILE HG12 H 1 1.550 0.02 . 1 . . . A 10 ILE HG12 . c25209_2muf 1 68 . 1 1 10 10 ILE HG13 H 1 1.550 0.02 . 1 . . . A 10 ILE HG13 . c25209_2muf 1 69 . 1 1 10 10 ILE HG21 H 1 1.100 0.02 . 1 . . . A 10 ILE HG21 . c25209_2muf 1 70 . 1 1 10 10 ILE HG22 H 1 1.100 0.02 . 1 . . . A 10 ILE HG22 . c25209_2muf 1 71 . 1 1 10 10 ILE HG23 H 1 1.100 0.02 . 1 . . . A 10 ILE HG23 . c25209_2muf 1 72 . 1 1 10 10 ILE HD11 H 1 0.800 0.02 . 1 . . . A 10 ILE HD11 . c25209_2muf 1 73 . 1 1 10 10 ILE HD12 H 1 0.800 0.02 . 1 . . . A 10 ILE HD12 . c25209_2muf 1 74 . 1 1 10 10 ILE HD13 H 1 0.800 0.02 . 1 . . . A 10 ILE HD13 . c25209_2muf 1 75 . 1 1 11 11 ASN H H 1 8.150 0.02 . 1 . . . A 11 ASN H . c25209_2muf 1 76 . 1 1 11 11 ASN HA H 1 4.350 0.02 . 1 . . . A 11 ASN HA . c25209_2muf 1 77 . 1 1 11 11 ASN HB2 H 1 2.700 0.02 . 1 . . . A 11 ASN HB2 . c25209_2muf 1 78 . 1 1 11 11 ASN HB3 H 1 2.700 0.02 . 1 . . . A 11 ASN HB3 . c25209_2muf 1 79 . 1 1 11 11 ASN HD21 H 1 7.340 0.02 . 1 . . . A 11 ASN HD21 . c25209_2muf 1 80 . 1 1 11 11 ASN HD22 H 1 7.340 0.02 . 1 . . . A 11 ASN HD22 . c25209_2muf 1 81 . 1 1 12 12 ASN H H 1 7.880 0.02 . 1 . . . A 12 ASN H . c25209_2muf 1 82 . 1 1 12 12 ASN HA H 1 4.500 0.02 . 1 . . . A 12 ASN HA . c25209_2muf 1 83 . 1 1 12 12 ASN HB2 H 1 2.700 0.02 . 2 . . . A 12 ASN HB2 . c25209_2muf 1 84 . 1 1 12 12 ASN HB3 H 1 2.800 0.02 . 2 . . . A 12 ASN HB3 . c25209_2muf 1 85 . 1 1 12 12 ASN HD21 H 1 6.850 0.02 . 2 . . . A 12 ASN HD21 . c25209_2muf 1 86 . 1 1 12 12 ASN HD22 H 1 7.330 0.02 . 2 . . . A 12 ASN HD22 . c25209_2muf 1 87 . 1 1 13 13 ARG H H 1 8.300 0.02 . 1 . . . A 13 ARG H . c25209_2muf 1 88 . 1 1 13 13 ARG HA H 1 4.000 0.02 . 1 . . . A 13 ARG HA . c25209_2muf 1 89 . 1 1 13 13 ARG HB2 H 1 1.750 0.02 . 1 . . . A 13 ARG HB2 . c25209_2muf 1 90 . 1 1 13 13 ARG HB3 H 1 1.750 0.02 . 1 . . . A 13 ARG HB3 . c25209_2muf 1 91 . 1 1 13 13 ARG HG2 H 1 1.480 0.02 . 2 . . . A 13 ARG HG2 . c25209_2muf 1 92 . 1 1 13 13 ARG HG3 H 1 1.450 0.02 . 2 . . . A 13 ARG HG3 . c25209_2muf 1 93 . 1 1 13 13 ARG HD2 H 1 2.780 0.02 . 1 . . . A 13 ARG HD2 . c25209_2muf 1 94 . 1 1 13 13 ARG HD3 H 1 2.780 0.02 . 1 . . . A 13 ARG HD3 . c25209_2muf 1 95 . 1 1 13 13 ARG HH21 H 1 7.390 0.02 . 1 . . . A 13 ARG HH21 . c25209_2muf 1 96 . 1 1 13 13 ARG HH22 H 1 7.390 0.02 . 1 . . . A 13 ARG HH22 . c25209_2muf 1 97 . 1 1 14 14 LEU H H 1 8.110 0.02 . 1 . . . A 14 LEU H . c25209_2muf 1 98 . 1 1 14 14 LEU HA H 1 3.900 0.02 . 1 . . . A 14 LEU HA . c25209_2muf 1 99 . 1 1 14 14 LEU HB2 H 1 1.650 0.02 . 1 . . . A 14 LEU HB2 . c25209_2muf 1 100 . 1 1 14 14 LEU HB3 H 1 1.650 0.02 . 1 . . . A 14 LEU HB3 . c25209_2muf 1 101 . 1 1 14 14 LEU HG H 1 1.600 0.02 . 1 . . . A 14 LEU HG . c25209_2muf 1 102 . 1 1 14 14 LEU HD11 H 1 0.780 0.02 . 1 . . . A 14 LEU HD11 . c25209_2muf 1 103 . 1 1 14 14 LEU HD12 H 1 0.780 0.02 . 1 . . . A 14 LEU HD12 . c25209_2muf 1 104 . 1 1 14 14 LEU HD13 H 1 0.780 0.02 . 1 . . . A 14 LEU HD13 . c25209_2muf 1 105 . 1 1 14 14 LEU HD21 H 1 0.780 0.02 . 1 . . . A 14 LEU HD21 . c25209_2muf 1 106 . 1 1 14 14 LEU HD22 H 1 0.780 0.02 . 1 . . . A 14 LEU HD22 . c25209_2muf 1 107 . 1 1 14 14 LEU HD23 H 1 0.780 0.02 . 1 . . . A 14 LEU HD23 . c25209_2muf 1 108 . 1 1 15 15 LEU H H 1 8.250 0.02 . 1 . . . A 15 LEU H . c25209_2muf 1 109 . 1 1 15 15 LEU HA H 1 4.000 0.02 . 1 . . . A 15 LEU HA . c25209_2muf 1 110 . 1 1 15 15 LEU HB2 H 1 1.700 0.02 . 1 . . . A 15 LEU HB2 . c25209_2muf 1 111 . 1 1 15 15 LEU HB3 H 1 1.700 0.02 . 1 . . . A 15 LEU HB3 . c25209_2muf 1 112 . 1 1 15 15 LEU HG H 1 1.400 0.02 . 1 . . . A 15 LEU HG . c25209_2muf 1 113 . 1 1 15 15 LEU HD11 H 1 0.750 0.02 . 1 . . . A 15 LEU HD11 . c25209_2muf 1 114 . 1 1 15 15 LEU HD12 H 1 0.750 0.02 . 1 . . . A 15 LEU HD12 . c25209_2muf 1 115 . 1 1 15 15 LEU HD13 H 1 0.750 0.02 . 1 . . . A 15 LEU HD13 . c25209_2muf 1 116 . 1 1 15 15 LEU HD21 H 1 0.750 0.02 . 1 . . . A 15 LEU HD21 . c25209_2muf 1 117 . 1 1 15 15 LEU HD22 H 1 0.750 0.02 . 1 . . . A 15 LEU HD22 . c25209_2muf 1 118 . 1 1 15 15 LEU HD23 H 1 0.750 0.02 . 1 . . . A 15 LEU HD23 . c25209_2muf 1 119 . 1 1 16 16 ASN H H 1 7.890 0.02 . 1 . . . A 16 ASN H . c25209_2muf 1 120 . 1 1 16 16 ASN HA H 1 4.380 0.02 . 1 . . . A 16 ASN HA . c25209_2muf 1 121 . 1 1 16 16 ASN HB2 H 1 2.800 0.02 . 1 . . . A 16 ASN HB2 . c25209_2muf 1 122 . 1 1 16 16 ASN HB3 H 1 2.800 0.02 . 1 . . . A 16 ASN HB3 . c25209_2muf 1 123 . 1 1 16 16 ASN HD21 H 1 7.330 0.02 . 2 . . . A 16 ASN HD21 . c25209_2muf 1 124 . 1 1 16 16 ASN HD22 H 1 7.420 0.02 . 2 . . . A 16 ASN HD22 . c25209_2muf 1 125 . 1 1 17 17 GLU H H 1 8.170 0.02 . 1 . . . A 17 GLU H . c25209_2muf 1 126 . 1 1 17 17 GLU HA H 1 4.050 0.02 . 1 . . . A 17 GLU HA . c25209_2muf 1 127 . 1 1 17 17 GLU HB2 H 1 2.000 0.02 . 1 . . . A 17 GLU HB2 . c25209_2muf 1 128 . 1 1 17 17 GLU HB3 H 1 2.000 0.02 . 1 . . . A 17 GLU HB3 . c25209_2muf 1 129 . 1 1 17 17 GLU HG2 H 1 2.400 0.02 . 1 . . . A 17 GLU HG2 . c25209_2muf 1 130 . 1 1 17 17 GLU HG3 H 1 2.400 0.02 . 1 . . . A 17 GLU HG3 . c25209_2muf 1 131 . 1 1 18 18 HIS H H 1 8.150 0.02 . 1 . . . A 18 HIS H . c25209_2muf 1 132 . 1 1 18 18 HIS HA H 1 4.400 0.02 . 1 . . . A 18 HIS HA . c25209_2muf 1 133 . 1 1 18 18 HIS HB2 H 1 3.280 0.02 . 2 . . . A 18 HIS HB2 . c25209_2muf 1 134 . 1 1 18 18 HIS HB3 H 1 3.150 0.02 . 2 . . . A 18 HIS HB3 . c25209_2muf 1 135 . 1 1 18 18 HIS HD2 H 1 7.100 0.02 . 1 . . . A 18 HIS HD2 . c25209_2muf 1 136 . 1 1 18 18 HIS HE2 H 1 8.000 0.02 . 1 . . . A 18 HIS HE2 . c25209_2muf 1 137 . 1 1 19 19 ALA H H 1 8.850 0.02 . 1 . . . A 19 ALA H . c25209_2muf 1 138 . 1 1 19 19 ALA HA H 1 4.080 0.02 . 1 . . . A 19 ALA HA . c25209_2muf 1 139 . 1 1 19 19 ALA HB1 H 1 1.300 0.02 . 1 . . . A 19 ALA HB1 . c25209_2muf 1 140 . 1 1 19 19 ALA HB2 H 1 1.300 0.02 . 1 . . . A 19 ALA HB2 . c25209_2muf 1 141 . 1 1 19 19 ALA HB3 H 1 1.300 0.02 . 1 . . . A 19 ALA HB3 . c25209_2muf 1 142 . 1 1 20 20 HIS H H 1 7.850 0.02 . 1 . . . A 20 HIS H . c25209_2muf 1 143 . 1 1 20 20 HIS HA H 1 4.490 0.02 . 1 . . . A 20 HIS HA . c25209_2muf 1 144 . 1 1 20 20 HIS HB2 H 1 3.070 0.02 . 2 . . . A 20 HIS HB2 . c25209_2muf 1 145 . 1 1 20 20 HIS HB3 H 1 3.330 0.02 . 2 . . . A 20 HIS HB3 . c25209_2muf 1 146 . 1 1 20 20 HIS HD2 H 1 7.000 0.02 . 1 . . . A 20 HIS HD2 . c25209_2muf 1 147 . 1 1 20 20 HIS HE2 H 1 8.200 0.02 . 1 . . . A 20 HIS HE2 . c25209_2muf 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 c25209_2muf _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 c25209_2muf _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 . . . c25209_2muf 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 . . . . c25209_2muf 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 SER C C -14.807 -0.431 -0.114 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . c25209_2muf 1 . 1 . 2 . 1 1 1 SER CA C -16.085 -0.286 0.762 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . c25209_2muf 1 . 1 . 3 . 1 1 1 SER CB C -16.818 -1.637 0.970 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . c25209_2muf 1 . 1 . 4 . 1 1 1 SER H1 H -16.664 1.132 -0.771 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . c25209_2muf 1 . 1 . 5 . 1 1 1 SER HA H -15.772 0.083 1.756 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . c25209_2muf 1 . 1 . 6 . 1 1 1 SER HB2 H -17.231 -2.019 0.017 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . c25209_2muf 1 . 1 . 7 . 1 1 1 SER HB3 H -16.107 -2.408 1.323 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . c25209_2muf 1 . 1 . 8 . 1 1 1 SER HG H -18.252 -2.402 1.998 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . c25209_2muf 1 . 1 . 9 . 1 1 1 SER N N -16.947 0.742 0.130 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . c25209_2muf 1 . 1 . 10 . 1 1 1 SER O O -14.675 -1.368 -0.910 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . c25209_2muf 1 . 1 . 11 . 1 1 1 SER OG O -17.864 -1.527 1.927 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . c25209_2muf 1 . 1 . 12 . 1 1 2 ASP C C -11.346 0.807 0.242 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c25209_2muf 1 . 1 . 13 . 1 1 2 ASP CA C -12.582 0.566 -0.691 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c25209_2muf 1 . 1 . 14 . 1 1 2 ASP CB C -12.753 1.587 -1.839 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c25209_2muf 1 . 1 . 15 . 1 1 2 ASP CG C -11.762 1.461 -3.003 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c25209_2muf 1 . 1 . 16 . 1 1 2 ASP H H -14.160 1.334 0.576 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c25209_2muf 1 . 1 . 17 . 1 1 2 ASP HA H -12.436 -0.395 -1.159 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c25209_2muf 1 . 1 . 18 . 1 1 2 ASP HB2 H -13.780 1.553 -2.252 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c25209_2muf 1 . 1 . 19 . 1 1 2 ASP HB3 H -12.664 2.581 -1.396 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c25209_2muf 1 . 1 . 20 . 1 1 2 ASP HD2 H -11.581 0.507 -4.690 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HD2 . . . . . . . . . c25209_2muf 1 . 1 . 21 . 1 1 2 ASP N N -13.867 0.523 0.047 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c25209_2muf 1 . 1 . 22 . 1 1 2 ASP O O -10.434 1.571 -0.090 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c25209_2muf 1 . 1 . 23 . 1 1 2 ASP OD1 O -10.701 2.082 -3.065 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c25209_2muf 1 . 1 . 24 . 1 1 2 ASP OD2 O -12.201 0.583 -3.962 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c25209_2muf 1 . 1 . 25 . 1 1 3 VAL C C -8.819 -0.414 1.952 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c25209_2muf 1 . 1 . 26 . 1 1 3 VAL CA C -10.193 0.192 2.385 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c25209_2muf 1 . 1 . 27 . 1 1 3 VAL CB C -10.689 -0.295 3.786 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c25209_2muf 1 . 1 . 28 . 1 1 3 VAL CG1 C -11.751 0.638 4.418 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c25209_2muf 1 . 1 . 29 . 1 1 3 VAL CG2 C -11.184 -1.756 3.849 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c25209_2muf 1 . 1 . 30 . 1 1 3 VAL H H -12.152 -0.376 1.653 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c25209_2muf 1 . 1 . 31 . 1 1 3 VAL HA H -10.001 1.262 2.516 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c25209_2muf 1 . 1 . 32 . 1 1 3 VAL HB H -9.818 -0.239 4.447 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c25209_2muf 1 . 1 . 33 . 1 1 3 VAL HG11 H -12.699 0.639 3.848 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c25209_2muf 1 . 1 . 34 . 1 1 3 VAL HG12 H -11.993 0.341 5.456 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c25209_2muf 1 . 1 . 35 . 1 1 3 VAL HG13 H -11.396 1.684 4.464 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c25209_2muf 1 . 1 . 36 . 1 1 3 VAL HG21 H -12.075 -1.913 3.213 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c25209_2muf 1 . 1 . 37 . 1 1 3 VAL HG22 H -10.404 -2.459 3.508 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c25209_2muf 1 . 1 . 38 . 1 1 3 VAL HG23 H -11.451 -2.048 4.880 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c25209_2muf 1 . 1 . 39 . 1 1 3 VAL N N -11.285 0.092 1.383 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c25209_2muf 1 . 1 . 40 . 1 1 3 VAL O O -7.788 0.232 2.152 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c25209_2muf 1 . 1 . 41 . 1 1 4 ARG C C -7.207 -1.995 -0.604 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c25209_2muf 1 . 1 . 42 . 1 1 4 ARG CA C -7.592 -2.311 0.881 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c25209_2muf 1 . 1 . 43 . 1 1 4 ARG CB C -7.737 -3.819 1.181 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c25209_2muf 1 . 1 . 44 . 1 1 4 ARG CD C -5.203 -4.436 1.564 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c25209_2muf 1 . 1 . 45 . 1 1 4 ARG CG C -6.541 -4.747 0.858 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c25209_2muf 1 . 1 . 46 . 1 1 4 ARG CZ C -4.269 -4.277 3.885 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c25209_2muf 1 . 1 . 47 . 1 1 4 ARG H H -9.724 -2.062 1.285 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c25209_2muf 1 . 1 . 48 . 1 1 4 ARG HA H -6.775 -1.999 1.516 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c25209_2muf 1 . 1 . 49 . 1 1 4 ARG HB2 H -7.986 -3.974 2.250 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c25209_2muf 1 . 1 . 50 . 1 1 4 ARG HB3 H -8.610 -4.171 0.625 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c25209_2muf 1 . 1 . 51 . 1 1 4 ARG HD2 H -4.423 -5.111 1.165 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c25209_2muf 1 . 1 . 52 . 1 1 4 ARG HD3 H -4.878 -3.415 1.299 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c25209_2muf 1 . 1 . 53 . 1 1 4 ARG HG2 H -6.841 -5.788 1.081 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c25209_2muf 1 . 1 . 54 . 1 1 4 ARG HG3 H -6.375 -4.730 -0.234 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c25209_2muf 1 . 1 . 55 . 1 1 4 ARG HH11 H -2.950 -3.678 2.487 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c25209_2muf 1 . 1 . 56 . 1 1 4 ARG HH12 H -2.404 -3.608 4.237 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c25209_2muf 1 . 1 . 57 . 1 1 4 ARG HH21 H -5.390 -4.815 5.454 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c25209_2muf 1 . 1 . 58 . 1 1 4 ARG HH22 H -3.694 -4.208 5.802 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c25209_2muf 1 . 1 . 59 . 1 1 4 ARG N N -8.810 -1.629 1.381 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c25209_2muf 1 . 1 . 60 . 1 1 4 ARG NE N -5.270 -4.587 3.039 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c25209_2muf 1 . 1 . 61 . 1 1 4 ARG NH1 N -3.085 -3.806 3.496 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c25209_2muf 1 . 1 . 62 . 1 1 4 ARG NH2 N -4.472 -4.451 5.178 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c25209_2muf 1 . 1 . 63 . 1 1 4 ARG O O -6.016 -1.992 -0.923 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c25209_2muf 1 . 1 . 64 . 1 1 5 TYR C C -7.173 -0.154 -3.283 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c25209_2muf 1 . 1 . 65 . 1 1 5 TYR CA C -7.987 -1.436 -2.931 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c25209_2muf 1 . 1 . 66 . 1 1 5 TYR CB C -9.371 -1.422 -3.620 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c25209_2muf 1 . 1 . 67 . 1 1 5 TYR CD1 C -9.472 -3.171 -5.471 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c25209_2muf 1 . 1 . 68 . 1 1 5 TYR CD2 C -9.347 -0.843 -6.103 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c25209_2muf 1 . 1 . 69 . 1 1 5 TYR CE1 C -9.497 -3.534 -6.816 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c25209_2muf 1 . 1 . 70 . 1 1 5 TYR CE2 C -9.371 -1.207 -7.447 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c25209_2muf 1 . 1 . 71 . 1 1 5 TYR CG C -9.396 -1.823 -5.105 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c25209_2muf 1 . 1 . 72 . 1 1 5 TYR CZ C -9.446 -2.552 -7.804 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c25209_2muf 1 . 1 . 73 . 1 1 5 TYR H H -9.134 -1.742 -1.095 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c25209_2muf 1 . 1 . 74 . 1 1 5 TYR HA H -7.464 -2.295 -3.352 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c25209_2muf 1 . 1 . 75 . 1 1 5 TYR HB2 H -10.092 -2.027 -3.051 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c25209_2muf 1 . 1 . 76 . 1 1 5 TYR HB3 H -9.788 -0.423 -3.512 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c25209_2muf 1 . 1 . 77 . 1 1 5 TYR HD1 H -9.511 -3.943 -4.715 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c25209_2muf 1 . 1 . 78 . 1 1 5 TYR HD2 H -9.288 0.205 -5.841 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c25209_2muf 1 . 1 . 79 . 1 1 5 TYR HE1 H -9.555 -4.577 -7.090 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c25209_2muf 1 . 1 . 80 . 1 1 5 TYR HE2 H -9.331 -0.443 -8.211 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c25209_2muf 1 . 1 . 81 . 1 1 5 TYR HH H -9.428 -2.117 -9.668 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c25209_2muf 1 . 1 . 82 . 1 1 5 TYR N N -8.193 -1.747 -1.490 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c25209_2muf 1 . 1 . 83 . 1 1 5 TYR O O -6.411 -0.174 -4.253 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c25209_2muf 1 . 1 . 84 . 1 1 5 TYR OH O -9.470 -2.910 -9.129 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c25209_2muf 1 . 1 . 85 . 1 1 6 ASN C C -6.138 2.881 -1.418 . . . 1.0 . . . . . . . . . . . . A . 6 ASN C . . . . . . . . . c25209_2muf 1 . 1 . 86 . 1 1 6 ASN CA C -6.619 2.218 -2.726 . . . 1.0 . . . . . . . . . . . . A . 6 ASN CA . . . . . . . . . c25209_2muf 1 . 1 . 87 . 1 1 6 ASN CB C -7.401 3.209 -3.642 . . . 1.0 . . . . . . . . . . . . A . 6 ASN CB . . . . . . . . . c25209_2muf 1 . 1 . 88 . 1 1 6 ASN CG C -6.567 3.850 -4.766 . . . 1.0 . . . . . . . . . . . . A . 6 ASN CG . . . . . . . . . c25209_2muf 1 . 1 . 89 . 1 1 6 ASN H H -8.067 0.775 -1.784 . . . 1.0 . . . . . . . . . . . . A . 6 ASN H . . . . . . . . . c25209_2muf 1 . 1 . 90 . 1 1 6 ASN HA H -5.646 1.956 -3.181 . . . 1.0 . . . . . . . . . . . . A . 6 ASN HA . . . . . . . . . c25209_2muf 1 . 1 . 91 . 1 1 6 ASN HB2 H -8.257 2.698 -4.113 . . . 1.0 . . . . . . . . . . . . A . 6 ASN HB2 . . . . . . . . . c25209_2muf 1 . 1 . 92 . 1 1 6 ASN HB3 H -7.885 4.005 -3.043 . . . 1.0 . . . . . . . . . . . . A . 6 ASN HB3 . . . . . . . . . c25209_2muf 1 . 1 . 93 . 1 1 6 ASN HD21 H -5.479 4.777 -3.400 . . . 1.0 . . . . . . . . . . . . A . 6 ASN HD21 . . . . . . . . . c25209_2muf 1 . 1 . 94 . 1 1 6 ASN HD22 H -5.055 5.115 -5.159 . . . 1.0 . . . . . . . . . . . . A . 6 ASN HD22 . . . . . . . . . c25209_2muf 1 . 1 . 95 . 1 1 6 ASN N N -7.368 0.938 -2.522 . . . 1.0 . . . . . . . . . . . . A . 6 ASN N . . . . . . . . . c25209_2muf 1 . 1 . 96 . 1 1 6 ASN ND2 N -5.633 4.715 -4.411 . . . 1.0 . . . . . . . . . . . . A . 6 ASN ND2 . . . . . . . . . c25209_2muf 1 . 1 . 97 . 1 1 6 ASN O O -4.983 3.319 -1.366 . . . 1.0 . . . . . . . . . . . . A . 6 ASN O . . . . . . . . . c25209_2muf 1 . 1 . 98 . 1 1 6 ASN OD1 O -6.760 3.577 -5.950 . . . 1.0 . . . . . . . . . . . . A . 6 ASN OD1 . . . . . . . . . c25209_2muf 1 . 1 . 99 . 1 1 7 LYS C C -5.410 2.801 1.640 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c25209_2muf 1 . 1 . 100 . 1 1 7 LYS CA C -6.602 3.550 0.939 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c25209_2muf 1 . 1 . 101 . 1 1 7 LYS CB C -7.849 3.696 1.856 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c25209_2muf 1 . 1 . 102 . 1 1 7 LYS CD C -10.024 4.812 0.809 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c25209_2muf 1 . 1 . 103 . 1 1 7 LYS CE C -9.860 4.815 -0.724 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c25209_2muf 1 . 1 . 104 . 1 1 7 LYS CG C -8.718 4.958 1.619 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c25209_2muf 1 . 1 . 105 . 1 1 7 LYS H H -7.942 2.673 -0.578 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c25209_2muf 1 . 1 . 106 . 1 1 7 LYS HA H -6.217 4.562 0.725 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c25209_2muf 1 . 1 . 107 . 1 1 7 LYS HB2 H -8.470 2.781 1.845 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c25209_2muf 1 . 1 . 108 . 1 1 7 LYS HB3 H -7.499 3.761 2.905 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c25209_2muf 1 . 1 . 109 . 1 1 7 LYS HD2 H -10.579 3.914 1.140 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c25209_2muf 1 . 1 . 110 . 1 1 7 LYS HD3 H -10.670 5.665 1.092 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c25209_2muf 1 . 1 . 111 . 1 1 7 LYS HE2 H -9.177 5.624 -1.042 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c25209_2muf 1 . 1 . 112 . 1 1 7 LYS HE3 H -9.408 3.870 -1.068 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c25209_2muf 1 . 1 . 113 . 1 1 7 LYS HG2 H -9.006 5.345 2.615 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c25209_2muf 1 . 1 . 114 . 1 1 7 LYS HG3 H -8.101 5.763 1.182 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c25209_2muf 1 . 1 . 115 . 1 1 7 LYS HZ1 H -11.802 4.248 -1.131 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c25209_2muf 1 . 1 . 116 . 1 1 7 LYS HZ2 H -11.592 5.869 -1.110 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c25209_2muf 1 . 1 . 117 . 1 1 7 LYS N N -6.992 2.979 -0.379 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c25209_2muf 1 . 1 . 118 . 1 1 7 LYS NZ N -11.152 4.991 -1.409 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c25209_2muf 1 . 1 . 119 . 1 1 7 LYS O O -4.761 3.388 2.510 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c25209_2muf 1 . 1 . 120 . 1 1 8 SER C C -3.460 -0.302 0.774 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . c25209_2muf 1 . 1 . 121 . 1 1 8 SER CA C -4.018 0.727 1.811 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . c25209_2muf 1 . 1 . 122 . 1 1 8 SER CB C -4.348 0.118 3.196 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . c25209_2muf 1 . 1 . 123 . 1 1 8 SER H H -5.596 1.293 0.375 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . c25209_2muf 1 . 1 . 124 . 1 1 8 SER HA H -3.171 1.450 1.896 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . c25209_2muf 1 . 1 . 125 . 1 1 8 SER HB2 H -4.747 0.889 3.882 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . c25209_2muf 1 . 1 . 126 . 1 1 8 SER HB3 H -5.135 -0.655 3.110 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . c25209_2muf 1 . 1 . 127 . 1 1 8 SER HG H -3.469 -0.804 4.637 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . c25209_2muf 1 . 1 . 128 . 1 1 8 SER N N -5.152 1.524 1.276 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . c25209_2muf 1 . 1 . 129 . 1 1 8 SER O O -3.279 -1.499 1.008 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . c25209_2muf 1 . 1 . 130 . 1 1 8 SER OG O -3.188 -0.454 3.789 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . c25209_2muf 1 . 1 . 131 . 1 1 9 PHE C C -1.287 0.588 -1.849 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c25209_2muf 1 . 1 . 132 . 1 1 9 PHE CA C -2.543 -0.305 -1.584 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c25209_2muf 1 . 1 . 133 . 1 1 9 PHE CB C -3.549 -0.327 -2.761 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c25209_2muf 1 . 1 . 134 . 1 1 9 PHE CD1 C -2.338 -0.952 -4.913 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c25209_2muf 1 . 1 . 135 . 1 1 9 PHE CD2 C -3.785 -2.595 -3.889 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c25209_2muf 1 . 1 . 136 . 1 1 9 PHE CE1 C -2.052 -1.847 -5.941 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c25209_2muf 1 . 1 . 137 . 1 1 9 PHE CE2 C -3.499 -3.487 -4.920 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c25209_2muf 1 . 1 . 138 . 1 1 9 PHE CG C -3.207 -1.320 -3.879 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c25209_2muf 1 . 1 . 139 . 1 1 9 PHE CZ C -2.635 -3.112 -5.946 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c25209_2muf 1 . 1 . 140 . 1 1 9 PHE H H -3.488 1.239 -0.467 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c25209_2muf 1 . 1 . 141 . 1 1 9 PHE HA H -2.224 -1.316 -1.328 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c25209_2muf 1 . 1 . 142 . 1 1 9 PHE HB2 H -4.552 -0.550 -2.364 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c25209_2muf 1 . 1 . 143 . 1 1 9 PHE HB3 H -3.670 0.688 -3.187 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c25209_2muf 1 . 1 . 144 . 1 1 9 PHE HD1 H -1.884 0.029 -4.925 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c25209_2muf 1 . 1 . 145 . 1 1 9 PHE HD2 H -4.463 -2.898 -3.103 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c25209_2muf 1 . 1 . 146 . 1 1 9 PHE HE1 H -1.380 -1.560 -6.737 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c25209_2muf 1 . 1 . 147 . 1 1 9 PHE HE2 H -3.948 -4.470 -4.925 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c25209_2muf 1 . 1 . 148 . 1 1 9 PHE HZ H -2.413 -3.805 -6.745 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c25209_2muf 1 . 1 . 149 . 1 1 9 PHE N N -3.147 0.285 -0.380 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c25209_2muf 1 . 1 . 150 . 1 1 9 PHE O O -0.182 0.068 -2.018 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c25209_2muf 1 . 1 . 151 . 1 1 10 ILE C C 0.439 3.029 -0.766 . . . 1.0 . . . . . . . . . . . . A . 10 ILE C . . . . . . . . . c25209_2muf 1 . 1 . 152 . 1 1 10 ILE CA C -0.433 2.954 -2.058 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CA . . . . . . . . . c25209_2muf 1 . 1 . 153 . 1 1 10 ILE CB C -1.065 4.282 -2.543 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CB . . . . . . . . . c25209_2muf 1 . 1 . 154 . 1 1 10 ILE CD1 C -0.855 4.074 -5.190 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CD1 . . . . . . . . . c25209_2muf 1 . 1 . 155 . 1 1 10 ILE CG1 C -1.746 4.123 -3.935 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG1 . . . . . . . . . c25209_2muf 1 . 1 . 156 . 1 1 10 ILE CG2 C -0.124 5.513 -2.513 . . . 1.0 . . . . . . . . . . . . A . 10 ILE CG2 . . . . . . . . . c25209_2muf 1 . 1 . 157 . 1 1 10 ILE H H -2.445 2.212 -1.640 . . . 1.0 . . . . . . . . . . . . A . 10 ILE H . . . . . . . . . c25209_2muf 1 . 1 . 158 . 1 1 10 ILE HA H 0.173 2.629 -2.887 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HA . . . . . . . . . c25209_2muf 1 . 1 . 159 . 1 1 10 ILE HB H -1.858 4.492 -1.816 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HB . . . . . . . . . c25209_2muf 1 . 1 . 160 . 1 1 10 ILE HD11 H -0.139 3.232 -5.154 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD11 . . . . . . . . . c25209_2muf 1 . 1 . 161 . 1 1 10 ILE HD12 H -0.272 5.004 -5.322 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD12 . . . . . . . . . c25209_2muf 1 . 1 . 162 . 1 1 10 ILE HD13 H -1.465 3.943 -6.102 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HD13 . . . . . . . . . c25209_2muf 1 . 1 . 163 . 1 1 10 ILE HG12 H -2.382 3.220 -3.949 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG12 . . . . . . . . . c25209_2muf 1 . 1 . 164 . 1 1 10 ILE HG13 H -2.461 4.934 -4.019 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG13 . . . . . . . . . c25209_2muf 1 . 1 . 165 . 1 1 10 ILE HG21 H 0.217 5.738 -1.486 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG21 . . . . . . . . . c25209_2muf 1 . 1 . 166 . 1 1 10 ILE HG22 H 0.779 5.358 -3.131 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG22 . . . . . . . . . c25209_2muf 1 . 1 . 167 . 1 1 10 ILE HG23 H -0.632 6.423 -2.883 . . . 1.0 . . . . . . . . . . . . A . 10 ILE HG23 . . . . . . . . . c25209_2muf 1 . 1 . 168 . 1 1 10 ILE N N -1.486 1.931 -1.881 . . . 1.0 . . . . . . . . . . . . A . 10 ILE N . . . . . . . . . c25209_2muf 1 . 1 . 169 . 1 1 10 ILE O O 1.664 2.996 -0.889 . . . 1.0 . . . . . . . . . . . . A . 10 ILE O . . . . . . . . . c25209_2muf 1 . 1 . 170 . 1 1 11 ASN C C 1.420 1.851 1.950 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c25209_2muf 1 . 1 . 171 . 1 1 11 ASN CA C 0.561 3.144 1.744 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c25209_2muf 1 . 1 . 172 . 1 1 11 ASN CB C -0.410 3.366 2.938 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c25209_2muf 1 . 1 . 173 . 1 1 11 ASN CG C -1.103 4.744 2.984 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c25209_2muf 1 . 1 . 174 . 1 1 11 ASN H H -1.189 2.937 0.402 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c25209_2muf 1 . 1 . 175 . 1 1 11 ASN HA H 1.277 3.990 1.724 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c25209_2muf 1 . 1 . 176 . 1 1 11 ASN HB2 H -1.188 2.578 2.941 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c25209_2muf 1 . 1 . 177 . 1 1 11 ASN HB3 H 0.133 3.211 3.892 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c25209_2muf 1 . 1 . 178 . 1 1 11 ASN HD21 H 0.480 5.539 3.922 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c25209_2muf 1 . 1 . 179 . 1 1 11 ASN HD22 H -0.935 6.655 3.572 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c25209_2muf 1 . 1 . 180 . 1 1 11 ASN N N -0.179 3.128 0.441 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c25209_2muf 1 . 1 . 181 . 1 1 11 ASN ND2 N -0.456 5.748 3.558 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c25209_2muf 1 . 1 . 182 . 1 1 11 ASN O O 2.532 1.941 2.473 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c25209_2muf 1 . 1 . 183 . 1 1 11 ASN OD1 O -2.222 4.914 2.501 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c25209_2muf 1 . 1 . 184 . 1 1 12 ASN C C 2.880 -0.662 0.663 . . . 1.0 . . . . . . . . . . . . A . 12 ASN C . . . . . . . . . c25209_2muf 1 . 1 . 185 . 1 1 12 ASN CA C 1.614 -0.630 1.592 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CA . . . . . . . . . c25209_2muf 1 . 1 . 186 . 1 1 12 ASN CB C 0.596 -1.773 1.288 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CB . . . . . . . . . c25209_2muf 1 . 1 . 187 . 1 1 12 ASN CG C 0.907 -3.175 1.861 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CG . . . . . . . . . c25209_2muf 1 . 1 . 188 . 1 1 12 ASN H H 0.001 0.782 1.042 . . . 1.0 . . . . . . . . . . . . A . 12 ASN H . . . . . . . . . c25209_2muf 1 . 1 . 189 . 1 1 12 ASN HA H 1.973 -0.768 2.623 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HA . . . . . . . . . c25209_2muf 1 . 1 . 190 . 1 1 12 ASN HB2 H -0.402 -1.500 1.686 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HB2 . . . . . . . . . c25209_2muf 1 . 1 . 191 . 1 1 12 ASN HB3 H 0.428 -1.858 0.197 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HB3 . . . . . . . . . c25209_2muf 1 . 1 . 192 . 1 1 12 ASN HD21 H 2.771 -3.097 1.183 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HD21 . . . . . . . . . c25209_2muf 1 . 1 . 193 . 1 1 12 ASN HD22 H 2.260 -4.647 2.026 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HD22 . . . . . . . . . c25209_2muf 1 . 1 . 194 . 1 1 12 ASN N N 0.900 0.674 1.526 . . . 1.0 . . . . . . . . . . . . A . 12 ASN N . . . . . . . . . c25209_2muf 1 . 1 . 195 . 1 1 12 ASN ND2 N 2.081 -3.729 1.605 . . . 1.0 . . . . . . . . . . . . A . 12 ASN ND2 . . . . . . . . . c25209_2muf 1 . 1 . 196 . 1 1 12 ASN O O 3.917 -1.185 1.081 . . . 1.0 . . . . . . . . . . . . A . 12 ASN O . . . . . . . . . c25209_2muf 1 . 1 . 197 . 1 1 12 ASN OD1 O 0.075 -3.786 2.531 . . . 1.0 . . . . . . . . . . . . A . 12 ASN OD1 . . . . . . . . . c25209_2muf 1 . 1 . 198 . 1 1 13 ARG C C 5.170 0.821 -1.070 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c25209_2muf 1 . 1 . 199 . 1 1 13 ARG CA C 3.939 -0.008 -1.517 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c25209_2muf 1 . 1 . 200 . 1 1 13 ARG CB C 3.450 0.408 -2.933 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c25209_2muf 1 . 1 . 201 . 1 1 13 ARG CD C 3.140 -1.967 -3.979 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c25209_2muf 1 . 1 . 202 . 1 1 13 ARG CG C 2.519 -0.585 -3.670 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c25209_2muf 1 . 1 . 203 . 1 1 13 ARG CZ C 1.246 -3.621 -4.071 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c25209_2muf 1 . 1 . 204 . 1 1 13 ARG H H 1.886 0.303 -0.792 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c25209_2muf 1 . 1 . 205 . 1 1 13 ARG HA H 4.350 -1.027 -1.555 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c25209_2muf 1 . 1 . 206 . 1 1 13 ARG HB2 H 2.935 1.388 -2.868 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c25209_2muf 1 . 1 . 207 . 1 1 13 ARG HB3 H 4.318 0.599 -3.590 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c25209_2muf 1 . 1 . 208 . 1 1 13 ARG HD2 H 4.031 -1.833 -4.620 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c25209_2muf 1 . 1 . 209 . 1 1 13 ARG HD3 H 3.518 -2.450 -3.059 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c25209_2muf 1 . 1 . 210 . 1 1 13 ARG HG2 H 1.594 -0.717 -3.080 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c25209_2muf 1 . 1 . 211 . 1 1 13 ARG HG3 H 2.190 -0.116 -4.617 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c25209_2muf 1 . 1 . 212 . 1 1 13 ARG HH11 H 1.591 -2.976 -2.195 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c25209_2muf 1 . 1 . 213 . 1 1 13 ARG HH12 H 0.249 -4.207 -2.423 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c25209_2muf 1 . 1 . 214 . 1 1 13 ARG HH21 H 0.708 -4.412 -5.830 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c25209_2muf 1 . 1 . 215 . 1 1 13 ARG HH22 H -0.215 -4.963 -4.342 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c25209_2muf 1 . 1 . 216 . 1 1 13 ARG N N 2.802 -0.088 -0.563 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c25209_2muf 1 . 1 . 217 . 1 1 13 ARG NE N 2.200 -2.882 -4.676 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c25209_2muf 1 . 1 . 218 . 1 1 13 ARG NH1 N 1.003 -3.599 -2.761 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c25209_2muf 1 . 1 . 219 . 1 1 13 ARG NH2 N 0.505 -4.412 -4.824 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c25209_2muf 1 . 1 . 220 . 1 1 13 ARG O O 6.257 0.530 -1.575 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c25209_2muf 1 . 1 . 221 . 1 1 14 LEU C C 7.185 1.670 1.123 . . . 1.0 . . . . . . . . . . . . A . 14 LEU C . . . . . . . . . c25209_2muf 1 . 1 . 222 . 1 1 14 LEU CA C 6.214 2.606 0.330 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CA . . . . . . . . . c25209_2muf 1 . 1 . 223 . 1 1 14 LEU CB C 5.781 3.857 1.153 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CB . . . . . . . . . c25209_2muf 1 . 1 . 224 . 1 1 14 LEU CD1 C 6.336 5.628 -0.648 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CD1 . . . . . . . . . c25209_2muf 1 . 1 . 225 . 1 1 14 LEU CD2 C 3.921 5.021 -0.227 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CD2 . . . . . . . . . c25209_2muf 1 . 1 . 226 . 1 1 14 LEU CG C 5.319 5.137 0.401 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CG . . . . . . . . . c25209_2muf 1 . 1 . 227 . 1 1 14 LEU H H 4.098 2.085 0.093 . . . 1.0 . . . . . . . . . . . . A . 14 LEU H . . . . . . . . . c25209_2muf 1 . 1 . 228 . 1 1 14 LEU HA H 6.780 2.910 -0.561 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HA . . . . . . . . . c25209_2muf 1 . 1 . 229 . 1 1 14 LEU HB2 H 5.004 3.569 1.891 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HB2 . . . . . . . . . c25209_2muf 1 . 1 . 230 . 1 1 14 LEU HB3 H 6.633 4.169 1.787 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HB3 . . . . . . . . . c25209_2muf 1 . 1 . 231 . 1 1 14 LEU HD11 H 6.399 4.941 -1.512 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD11 . . . . . . . . . c25209_2muf 1 . 1 . 232 . 1 1 14 LEU HD12 H 6.059 6.622 -1.043 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD12 . . . . . . . . . c25209_2muf 1 . 1 . 233 . 1 1 14 LEU HD13 H 7.351 5.714 -0.219 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD13 . . . . . . . . . c25209_2muf 1 . 1 . 234 . 1 1 14 LEU HD21 H 3.569 5.991 -0.625 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD21 . . . . . . . . . c25209_2muf 1 . 1 . 235 . 1 1 14 LEU HD22 H 3.172 4.692 0.516 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD22 . . . . . . . . . c25209_2muf 1 . 1 . 236 . 1 1 14 LEU HD23 H 3.901 4.301 -1.065 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD23 . . . . . . . . . c25209_2muf 1 . 1 . 237 . 1 1 14 LEU HG H 5.246 5.932 1.167 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HG . . . . . . . . . c25209_2muf 1 . 1 . 238 . 1 1 14 LEU N N 5.047 1.831 -0.176 . . . 1.0 . . . . . . . . . . . . A . 14 LEU N . . . . . . . . . c25209_2muf 1 . 1 . 239 . 1 1 14 LEU O O 8.398 1.756 0.924 . . . 1.0 . . . . . . . . . . . . A . 14 LEU O . . . . . . . . . c25209_2muf 1 . 1 . 240 . 1 1 15 LEU C C 8.045 -1.299 1.812 . . . 1.0 . . . . . . . . . . . . A . 15 LEU C . . . . . . . . . c25209_2muf 1 . 1 . 241 . 1 1 15 LEU CA C 7.432 -0.216 2.755 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CA . . . . . . . . . c25209_2muf 1 . 1 . 242 . 1 1 15 LEU CB C 6.613 -0.873 3.906 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CB . . . . . . . . . c25209_2muf 1 . 1 . 243 . 1 1 15 LEU CD1 C 6.873 1.120 5.544 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CD1 . . . . . . . . . c25209_2muf 1 . 1 . 244 . 1 1 15 LEU CD2 C 4.591 0.601 4.578 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CD2 . . . . . . . . . c25209_2muf 1 . 1 . 245 . 1 1 15 LEU CG C 5.949 0.011 5.005 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CG . . . . . . . . . c25209_2muf 1 . 1 . 246 . 1 1 15 LEU H H 5.651 0.913 2.155 . . . 1.0 . . . . . . . . . . . . A . 15 LEU H . . . . . . . . . c25209_2muf 1 . 1 . 247 . 1 1 15 LEU HA H 8.296 0.312 3.185 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HA . . . . . . . . . c25209_2muf 1 . 1 . 248 . 1 1 15 LEU HB2 H 5.842 -1.541 3.474 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HB2 . . . . . . . . . c25209_2muf 1 . 1 . 249 . 1 1 15 LEU HB3 H 7.296 -1.569 4.432 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HB3 . . . . . . . . . c25209_2muf 1 . 1 . 250 . 1 1 15 LEU HD11 H 7.095 1.881 4.772 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD11 . . . . . . . . . c25209_2muf 1 . 1 . 251 . 1 1 15 LEU HD12 H 7.839 0.709 5.887 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD12 . . . . . . . . . c25209_2muf 1 . 1 . 252 . 1 1 15 LEU HD13 H 6.416 1.648 6.400 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD13 . . . . . . . . . c25209_2muf 1 . 1 . 253 . 1 1 15 LEU HD21 H 3.911 -0.176 4.182 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD21 . . . . . . . . . c25209_2muf 1 . 1 . 254 . 1 1 15 LEU HD22 H 4.069 1.075 5.430 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD22 . . . . . . . . . c25209_2muf 1 . 1 . 255 . 1 1 15 LEU HD23 H 4.697 1.376 3.798 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD23 . . . . . . . . . c25209_2muf 1 . 1 . 256 . 1 1 15 LEU HG H 5.731 -0.665 5.853 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HG . . . . . . . . . c25209_2muf 1 . 1 . 257 . 1 1 15 LEU N N 6.648 0.781 1.988 . . . 1.0 . . . . . . . . . . . . A . 15 LEU N . . . . . . . . . c25209_2muf 1 . 1 . 258 . 1 1 15 LEU O O 9.122 -1.796 2.135 . . . 1.0 . . . . . . . . . . . . A . 15 LEU O . . . . . . . . . c25209_2muf 1 . 1 . 259 . 1 1 16 ASN C C 9.103 -2.035 -1.103 . . . 1.0 . . . . . . . . . . . . A . 16 ASN C . . . . . . . . . c25209_2muf 1 . 1 . 260 . 1 1 16 ASN CA C 7.931 -2.663 -0.288 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CA . . . . . . . . . c25209_2muf 1 . 1 . 261 . 1 1 16 ASN CB C 6.783 -3.229 -1.173 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CB . . . . . . . . . c25209_2muf 1 . 1 . 262 . 1 1 16 ASN CG C 6.912 -4.702 -1.601 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CG . . . . . . . . . c25209_2muf 1 . 1 . 263 . 1 1 16 ASN H H 6.483 -1.232 0.511 . . . 1.0 . . . . . . . . . . . . A . 16 ASN H . . . . . . . . . c25209_2muf 1 . 1 . 264 . 1 1 16 ASN HA H 8.389 -3.465 0.309 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HA . . . . . . . . . c25209_2muf 1 . 1 . 265 . 1 1 16 ASN HB2 H 5.838 -3.138 -0.622 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HB2 . . . . . . . . . c25209_2muf 1 . 1 . 266 . 1 1 16 ASN HB3 H 6.618 -2.603 -2.071 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HB3 . . . . . . . . . c25209_2muf 1 . 1 . 267 . 1 1 16 ASN HD21 H 8.657 -4.298 -2.411 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HD21 . . . . . . . . . c25209_2muf 1 . 1 . 268 . 1 1 16 ASN HD22 H 8.044 -6.022 -2.600 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HD22 . . . . . . . . . c25209_2muf 1 . 1 . 269 . 1 1 16 ASN N N 7.385 -1.686 0.689 . . . 1.0 . . . . . . . . . . . . A . 16 ASN N . . . . . . . . . c25209_2muf 1 . 1 . 270 . 1 1 16 ASN ND2 N 7.941 -5.030 -2.358 . . . 1.0 . . . . . . . . . . . . A . 16 ASN ND2 . . . . . . . . . c25209_2muf 1 . 1 . 271 . 1 1 16 ASN O O 10.104 -2.718 -1.323 . . . 1.0 . . . . . . . . . . . . A . 16 ASN O . . . . . . . . . c25209_2muf 1 . 1 . 272 . 1 1 16 ASN OD1 O 6.080 -5.546 -1.269 . . . 1.0 . . . . . . . . . . . . A . 16 ASN OD1 . . . . . . . . . c25209_2muf 1 . 1 . 273 . 1 1 17 GLU C C 11.361 0.140 -1.386 . . . 1.0 . . . . . . . . . . . . A . 17 GLU C . . . . . . . . . c25209_2muf 1 . 1 . 274 . 1 1 17 GLU CA C 10.076 -0.056 -2.283 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CA . . . . . . . . . c25209_2muf 1 . 1 . 275 . 1 1 17 GLU CB C 9.656 1.223 -3.051 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CB . . . . . . . . . c25209_2muf 1 . 1 . 276 . 1 1 17 GLU CD C 9.076 3.722 -3.044 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CD . . . . . . . . . c25209_2muf 1 . 1 . 277 . 1 1 17 GLU CG C 9.290 2.453 -2.220 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CG . . . . . . . . . c25209_2muf 1 . 1 . 278 . 1 1 17 GLU H H 8.065 -0.365 -1.334 . . . 1.0 . . . . . . . . . . . . A . 17 GLU H . . . . . . . . . c25209_2muf 1 . 1 . 279 . 1 1 17 GLU HA H 10.327 -0.719 -3.099 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HA . . . . . . . . . c25209_2muf 1 . 1 . 280 . 1 1 17 GLU HB2 H 10.479 1.501 -3.734 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HB2 . . . . . . . . . c25209_2muf 1 . 1 . 281 . 1 1 17 GLU HB3 H 8.799 0.986 -3.711 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HB3 . . . . . . . . . c25209_2muf 1 . 1 . 282 . 1 1 17 GLU HE2 H 10.945 4.092 -2.644 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HE2 . . . . . . . . . c25209_2muf 1 . 1 . 283 . 1 1 17 GLU HG2 H 8.365 2.198 -1.719 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HG2 . . . . . . . . . c25209_2muf 1 . 1 . 284 . 1 1 17 GLU HG3 H 10.025 2.626 -1.417 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HG3 . . . . . . . . . c25209_2muf 1 . 1 . 285 . 1 1 17 GLU N N 8.982 -0.763 -1.554 . . . 1.0 . . . . . . . . . . . . A . 17 GLU N . . . . . . . . . c25209_2muf 1 . 1 . 286 . 1 1 17 GLU O O 12.486 0.015 -1.876 . . . 1.0 . . . . . . . . . . . . A . 17 GLU O . . . . . . . . . c25209_2muf 1 . 1 . 287 . 1 1 17 GLU OE1 O 8.004 4.014 -3.575 . . . 1.0 . . . . . . . . . . . . A . 17 GLU OE1 . . . . . . . . . c25209_2muf 1 . 1 . 288 . 1 1 17 GLU OE2 O 10.212 4.487 -3.122 . . . 1.0 . . . . . . . . . . . . A . 17 GLU OE2 . . . . . . . . . c25209_2muf 1 . 1 . 289 . 1 1 18 HIS C C 12.858 -0.746 1.407 . . . 1.0 . . . . . . . . . . . . A . 18 HIS C . . . . . . . . . c25209_2muf 1 . 1 . 290 . 1 1 18 HIS CA C 12.223 0.597 0.943 . . . 1.0 . . . . . . . . . . . . A . 18 HIS CA . . . . . . . . . c25209_2muf 1 . 1 . 291 . 1 1 18 HIS CB C 11.655 1.406 2.137 . . . 1.0 . . . . . . . . . . . . A . 18 HIS CB . . . . . . . . . c25209_2muf 1 . 1 . 292 . 1 1 18 HIS CD2 C 13.407 3.239 2.712 . . . 1.0 . . . . . . . . . . . . A . 18 HIS CD2 . . . . . . . . . c25209_2muf 1 . 1 . 293 . 1 1 18 HIS CE1 C 12.329 4.941 2.105 . . . 1.0 . . . . . . . . . . . . A . 18 HIS CE1 . . . . . . . . . c25209_2muf 1 . 1 . 294 . 1 1 18 HIS CG C 12.157 2.847 2.199 . . . 1.0 . . . . . . . . . . . . A . 18 HIS CG . . . . . . . . . c25209_2muf 1 . 1 . 295 . 1 1 18 HIS H H 10.170 0.470 0.194 . . . 1.0 . . . . . . . . . . . . A . 18 HIS H . . . . . . . . . c25209_2muf 1 . 1 . 296 . 1 1 18 HIS HA H 13.016 1.216 0.520 . . . 1.0 . . . . . . . . . . . . A . 18 HIS HA . . . . . . . . . c25209_2muf 1 . 1 . 297 . 1 1 18 HIS HB2 H 10.564 1.386 2.098 . . . 1.0 . . . . . . . . . . . . A . 18 HIS HB2 . . . . . . . . . c25209_2muf 1 . 1 . 298 . 1 1 18 HIS HB3 H 11.849 0.912 3.104 . . . 1.0 . . . . . . . . . . . . A . 18 HIS HB3 . . . . . . . . . c25209_2muf 1 . 1 . 299 . 1 1 18 HIS HD2 H 14.157 2.569 3.106 . . . 1.0 . . . . . . . . . . . . A . 18 HIS HD2 . . . . . . . . . c25209_2muf 1 . 1 . 300 . 1 1 18 HIS HE1 H 12.086 5.977 1.918 . . . 1.0 . . . . . . . . . . . . A . 18 HIS HE1 . . . . . . . . . c25209_2muf 1 . 1 . 301 . 1 1 18 HIS HE2 H 14.314 5.215 2.952 . . . 1.0 . . . . . . . . . . . . A . 18 HIS HE2 . . . . . . . . . c25209_2muf 1 . 1 . 302 . 1 1 18 HIS N N 11.159 0.426 -0.079 . . . 1.0 . . . . . . . . . . . . A . 18 HIS N . . . . . . . . . c25209_2muf 1 . 1 . 303 . 1 1 18 HIS ND1 N 11.422 3.956 1.789 . . . 1.0 . . . . . . . . . . . . A . 18 HIS ND1 . . . . . . . . . c25209_2muf 1 . 1 . 304 . 1 1 18 HIS NE2 N 13.538 4.612 2.656 . . . 1.0 . . . . . . . . . . . . A . 18 HIS NE2 . . . . . . . . . c25209_2muf 1 . 1 . 305 . 1 1 18 HIS O O 14.083 -0.886 1.355 . . . 1.0 . . . . . . . . . . . . A . 18 HIS O . . . . . . . . . c25209_2muf 1 . 1 . 306 . 1 1 19 ALA C C 13.019 -3.975 1.207 . . . 1.0 . . . . . . . . . . . . A . 19 ALA C . . . . . . . . . c25209_2muf 1 . 1 . 307 . 1 1 19 ALA CA C 12.508 -3.038 2.333 . . . 1.0 . . . . . . . . . . . . A . 19 ALA CA . . . . . . . . . c25209_2muf 1 . 1 . 308 . 1 1 19 ALA CB C 11.437 -3.704 3.221 . . . 1.0 . . . . . . . . . . . . A . 19 ALA CB . . . . . . . . . c25209_2muf 1 . 1 . 309 . 1 1 19 ALA H H 11.028 -1.463 1.770 . . . 1.0 . . . . . . . . . . . . A . 19 ALA H . . . . . . . . . c25209_2muf 1 . 1 . 310 . 1 1 19 ALA HA H 13.367 -2.857 3.001 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HA . . . . . . . . . c25209_2muf 1 . 1 . 311 . 1 1 19 ALA HB1 H 11.129 -3.050 4.058 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB1 . . . . . . . . . c25209_2muf 1 . 1 . 312 . 1 1 19 ALA HB2 H 11.815 -4.640 3.673 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB2 . . . . . . . . . c25209_2muf 1 . 1 . 313 . 1 1 19 ALA HB3 H 10.524 -3.967 2.654 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB3 . . . . . . . . . c25209_2muf 1 . 1 . 314 . 1 1 19 ALA N N 12.028 -1.710 1.858 . . . 1.0 . . . . . . . . . . . . A . 19 ALA N . . . . . . . . . c25209_2muf 1 . 1 . 315 . 1 1 19 ALA O O 14.189 -4.370 1.235 . . . 1.0 . . . . . . . . . . . . A . 19 ALA O . . . . . . . . . c25209_2muf 1 . 1 . 316 . 1 1 20 HIS C C 13.191 -4.300 -2.053 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c25209_2muf 1 . 1 . 317 . 1 1 20 HIS CA C 12.549 -5.164 -0.927 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c25209_2muf 1 . 1 . 318 . 1 1 20 HIS CB C 11.346 -5.990 -1.404 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c25209_2muf 1 . 1 . 319 . 1 1 20 HIS CD2 C 12.826 -8.007 -2.078 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c25209_2muf 1 . 1 . 320 . 1 1 20 HIS CE1 C 11.898 -8.516 -3.896 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c25209_2muf 1 . 1 . 321 . 1 1 20 HIS CG C 11.751 -7.136 -2.322 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c25209_2muf 1 . 1 . 322 . 1 1 20 HIS H H 11.226 -3.893 0.340 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c25209_2muf 1 . 1 . 323 . 1 1 20 HIS HA H 13.248 -5.939 -0.591 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c25209_2muf 1 . 1 . 324 . 1 1 20 HIS HB2 H 10.787 -6.415 -0.547 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c25209_2muf 1 . 1 . 325 . 1 1 20 HIS HB3 H 10.655 -5.312 -1.908 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c25209_2muf 1 . 1 . 326 . 1 1 20 HIS HD2 H 13.480 -7.967 -1.219 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c25209_2muf 1 . 1 . 327 . 1 1 20 HIS HE1 H 11.690 -9.035 -4.821 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c25209_2muf 1 . 1 . 328 . 1 1 20 HIS HE2 H 13.611 -9.687 -3.238 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE2 . . . . . . . . . c25209_2muf 1 . 1 . 329 . 1 1 20 HIS N N 12.160 -4.310 0.226 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c25209_2muf 1 . 1 . 330 . 1 1 20 HIS ND1 N 11.117 -7.450 -3.519 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c25209_2muf 1 . 1 . 331 . 1 1 20 HIS NE2 N 12.938 -8.923 -3.104 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c25209_2muf 1 . 1 . 332 . 1 1 20 HIS O O 12.573 -3.400 -2.624 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c25209_2muf 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 c25209_2muf _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 2muf.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25209_2muf 1 1 2muf.mr . . DISCOVER 2 stereochemistry prochirality 'Not applicable' 0 c25209_2muf 1 1 2muf.mr . . DISCOVER 3 stereochemistry chirality 'Not applicable' 0 c25209_2muf 1 1 2muf.mr . . DISCOVER 4 distance NOE simple 217 c25209_2muf 1 1 2muf.mr . . DISCOVER 5 'dihedral angle' 'Not applicable' 'Not applicable' 19 c25209_2muf 1 1 2muf.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25209_2muf 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 c25209_2muf _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 . . . . c25209_2muf 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 ASP H H . . . 1 1 2 2 ASP HA H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ASP H . . A . 2 ASP HA . 1 . 2 ASP HN . . . 1 . 2 ASP HA . . c25209_2muf 1 2 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HA H . . . . . 2.8 1.8 2.8 . . . . . A . 3 VAL H . . A . 3 VAL HA . 1 . 3 VAL HN . . . 1 . 3 VAL HA . . c25209_2muf 1 3 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 4 ARG H . . A . 4 ARG HA . 1 . 4 ARG HN . . . 1 . 4 ARG HA . . c25209_2muf 1 4 1 . . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 TYR H . . A . 5 TYR HA . 1 . 5 TYR HN . . . 1 . 5 TYR HA . . c25209_2muf 1 5 1 . . 1 1 6 6 ASN H H . . . 1 1 6 6 ASN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN H . . A . 6 ASN HA . 1 . 6 ASN HN . . . 1 . 6 ASN HA . . c25209_2muf 1 6 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LYS H . . A . 7 LYS HA . 1 . 7 LYS HN . . . 1 . 7 LYS HA . . c25209_2muf 1 7 1 . . 1 1 8 8 SER H H . . . 1 1 8 8 SER HA H . . . . . 2.8 1.8 2.8 . . . . . A . 8 SER H . . A . 8 SER HA . 1 . 8 SER HN . . . 1 . 8 SER HA . . c25209_2muf 1 8 1 . . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 PHE H . . A . 9 PHE HA . 1 . 9 PHE HN . . . 1 . 9 PHE HA . . c25209_2muf 1 9 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ILE H . . A . 10 ILE HA . 1 . 10 ILE HN . . . 1 . 10 ILE HA . . c25209_2muf 1 10 1 . . 1 1 11 11 ASN H H . . . 1 1 11 11 ASN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ASN H . . A . 11 ASN HA . 1 . 11 ASN HN . . . 1 . 11 ASN HA . . c25209_2muf 1 11 1 . . 1 1 12 12 ASN H H . . . 1 1 12 12 ASN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 12 ASN H . . A . 12 ASN HA . 1 . 12 ASN HN . . . 1 . 12 ASN HA . . c25209_2muf 1 12 1 . . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 13 ARG H . . A . 13 ARG HA . 1 . 13 ARG HN . . . 1 . 13 ARG HA . . c25209_2muf 1 13 1 . . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 14 LEU H . . A . 14 LEU HA . 1 . 14 LEU HN . . . 1 . 14 LEU HA . . c25209_2muf 1 14 1 . . 1 1 15 15 LEU H H . . . 1 1 15 15 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 15 LEU H . . A . 15 LEU HA . 1 . 15 LEU HN . . . 1 . 15 LEU HA . . c25209_2muf 1 15 1 . . 1 1 16 16 ASN H H . . . 1 1 16 16 ASN HA H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ASN H . . A . 16 ASN HA . 1 . 16 ASN HN . . . 1 . 16 ASN HA . . c25209_2muf 1 16 1 . . 1 1 17 17 GLU H H . . . 1 1 17 17 GLU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 17 GLU H . . A . 17 GLU HA . 1 . 17 GLU HN . . . 1 . 17 GLU HA . . c25209_2muf 1 17 1 . . 1 1 18 18 HIS H H . . . 1 1 18 18 HIS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 18 HIS H . . A . 18 HIS HA . 1 . 18 HIS HN . . . 1 . 18 HIS HA . . c25209_2muf 1 18 1 . . 1 1 19 19 ALA H H . . . 1 1 19 19 ALA HA H . . . . . 3.5 2.8 3.5 . . . . . A . 19 ALA H . . A . 19 ALA HA . 1 . 19 ALA HN . . . 1 . 19 ALA HA . . c25209_2muf 1 19 1 . . 1 1 20 20 HIS H H . . . 1 1 20 20 HIS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 20 HIS H . . A . 20 HIS HA . 1 . 20 HIS HN . . . 1 . 20 HIS HA . . c25209_2muf 1 20 1 . . 1 1 1 1 SER HA H . . . 1 1 2 2 ASP H H . . . . . 2.8 1.8 2.8 . . . . . A . 1 SER HA . . A . 2 ASP H . 1 . 1 SER HA . . . 1 . 2 ASP HN . . c25209_2muf 1 21 1 . . 1 1 2 2 ASP HA H . . . 1 1 3 3 VAL H H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ASP HA . . A . 3 VAL H . 1 . 2 ASP HA . . . 1 . 3 VAL HN . . c25209_2muf 1 22 1 . . 1 1 3 3 VAL HA H . . . 1 1 4 4 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 3 VAL HA . . A . 4 ARG H . 1 . 3 VAL HA . . . 1 . 4 ARG HN . . c25209_2muf 1 23 1 . . 1 1 4 4 ARG HA H . . . 1 1 5 5 TYR H H . . . . . 3.5 2.8 3.5 . . . . . A . 4 ARG HA . . A . 5 TYR H . 1 . 4 ARG HA . . . 1 . 5 TYR HN . . c25209_2muf 1 24 1 . . 1 1 5 5 TYR HA H . . . 1 1 6 6 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 5 TYR HA . . A . 6 ASN H . 1 . 5 TYR HA . . . 1 . 6 ASN HN . . c25209_2muf 1 25 1 . . 1 1 6 6 ASN HA H . . . 1 1 7 7 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN HA . . A . 7 LYS H . 1 . 6 ASN HA . . . 1 . 7 LYS HN . . c25209_2muf 1 26 1 . . 1 1 7 7 LYS HA H . . . 1 1 8 8 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 7 LYS HA . . A . 8 SER H . 1 . 7 LYS HA . . . 1 . 8 SER HN . . c25209_2muf 1 27 1 . . 1 1 8 8 SER HA H . . . 1 1 9 9 PHE H H . . . . . 2.8 1.8 2.8 . . . . . A . 8 SER HA . . A . 9 PHE H . 1 . 8 SER HA . . . 1 . 9 PHE HN . . c25209_2muf 1 28 1 . . 1 1 9 9 PHE HA H . . . 1 1 10 10 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 9 PHE HA . . A . 10 ILE H . 1 . 9 PHE HA . . . 1 . 10 ILE HN . . c25209_2muf 1 29 1 . . 1 1 10 10 ILE HA H . . . 1 1 11 11 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 10 ILE HA . . A . 11 ASN H . 1 . 10 ILE HA . . . 1 . 11 ASN HN . . c25209_2muf 1 30 1 . . 1 1 11 11 ASN HA H . . . 1 1 12 12 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ASN HA . . A . 12 ASN H . 1 . 11 ASN HA . . . 1 . 12 ASN HN . . c25209_2muf 1 31 1 . . 1 1 12 12 ASN HA H . . . 1 1 13 13 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 12 ASN HA . . A . 13 ARG H . 1 . 12 ASN HA . . . 1 . 13 ARG HN . . c25209_2muf 1 32 1 . . 1 1 13 13 ARG HA H . . . 1 1 14 14 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 13 ARG HA . . A . 14 LEU H . 1 . 13 ARG HA . . . 1 . 14 LEU HN . . c25209_2muf 1 33 1 . . 1 1 14 14 LEU HA H . . . 1 1 15 15 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 14 LEU HA . . A . 15 LEU H . 1 . 14 LEU HA . . . 1 . 15 LEU HN . . c25209_2muf 1 34 1 . . 1 1 15 15 LEU HA H . . . 1 1 16 16 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LEU HA . . A . 16 ASN H . 1 . 15 LEU HA . . . 1 . 16 ASN HN . . c25209_2muf 1 35 1 . . 1 1 16 16 ASN HA H . . . 1 1 17 17 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 16 ASN HA . . A . 17 GLU H . 1 . 16 ASN HA . . . 1 . 17 GLU HN . . c25209_2muf 1 36 1 . . 1 1 17 17 GLU HA H . . . 1 1 18 18 HIS H H . . . . . 3.5 2.8 3.5 . . . . . A . 17 GLU HA . . A . 18 HIS H . 1 . 17 GLU HA . . . 1 . 18 HIS HN . . c25209_2muf 1 37 1 . . 1 1 18 18 HIS HA H . . . 1 1 19 19 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 18 HIS HA . . A . 19 ALA H . 1 . 18 HIS HA . . . 1 . 19 ALA HN . . c25209_2muf 1 38 1 . . 1 1 19 19 ALA HA H . . . 1 1 20 20 HIS H H . . . . . 3.5 2.8 3.5 . . . . . A . 19 ALA HA . . A . 20 HIS H . 1 . 19 ALA HA . . . 1 . 20 HIS HN . . c25209_2muf 1 39 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ASP H . . A . 2 ASP HB2 . 1 . 2 ASP HN . . . 1 . 2 ASP HBS . . c25209_2muf 1 40 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 2 ASP H . . A . 2 ASP HB3 . 1 . 2 ASP HN . . . 1 . 2 ASP HBR . . c25209_2muf 1 41 1 . . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ASP HA . . A . 2 ASP HB2 . 1 . 2 ASP HA . . . 1 . 2 ASP HBS . . c25209_2muf 1 42 1 . . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ASP HA . . A . 2 ASP HB3 . 1 . 2 ASP HA . . . 1 . 2 ASP HBR . . c25209_2muf 1 43 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HB H . . . . . 3.5 2.8 3.5 . . . . . A . 3 VAL H . . A . 3 VAL HB . 1 . 3 VAL HN . . . 1 . 3 VAL HB . . c25209_2muf 1 44 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG1 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 VAL H . . A . 3 VAL MG1 . 1 . 3 VAL HN . . . 1 . 3 VAL HGR* . . c25209_2muf 1 45 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 VAL H . . A . 3 VAL MG2 . 1 . 3 VAL HN . . . 1 . 3 VAL HGS* . . c25209_2muf 1 46 1 . . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL HB H . . . . . 2.8 1.8 2.8 . . . . . A . 3 VAL HA . . A . 3 VAL HB . 1 . 3 VAL HA . . . 1 . 3 VAL HB . . c25209_2muf 1 47 1 . . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG1 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 VAL HA . . A . 3 VAL MG1 . 1 . 3 VAL HA . . . 1 . 3 VAL HGR* . . c25209_2muf 1 48 1 . . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 VAL HA . . A . 3 VAL MG2 . 1 . 3 VAL HA . . . 1 . 3 VAL HGS* . . c25209_2muf 1 49 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 4 ARG H . . A . 4 ARG HB2 . 1 . 4 ARG HN . . . 1 . 4 ARG HBR . . c25209_2muf 1 50 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 ARG H . . A . 4 ARG HB3 . 1 . 4 ARG HN . . . 1 . 4 ARG HBS . . c25209_2muf 1 51 1 OR . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 4 ARG H . . A . 4 ARG HG2 . 1 . 4 ARG HN . . . 1 . 4 ARG HG* . . c25209_2muf 1 51 2 OR . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 4 ARG H . . A . 4 ARG HG3 . 1 . 4 ARG HN . . . 1 . 4 ARG HG* . . c25209_2muf 1 52 1 . . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 ARG HA . . A . 4 ARG HB2 . 1 . 4 ARG HA . . . 1 . 4 ARG HBR . . c25209_2muf 1 53 1 . . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 ARG HA . . A . 4 ARG HB3 . 1 . 4 ARG HA . . . 1 . 4 ARG HBS . . c25209_2muf 1 54 1 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 4 ARG HA . . A . 4 ARG HG2 . 1 . 4 ARG HA . . . 1 . 4 ARG HG* . . c25209_2muf 1 54 2 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 4 ARG HA . . A . 4 ARG HG3 . 1 . 4 ARG HA . . . 1 . 4 ARG HG* . . c25209_2muf 1 55 1 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 4 ARG HA . . A . 4 ARG HD2 . 1 . 4 ARG HA . . . 1 . 4 ARG HD* . . c25209_2muf 1 55 2 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HD3 H . . . . . 3.5 2.8 4.5 . . . . . A . 4 ARG HA . . A . 4 ARG HD3 . 1 . 4 ARG HA . . . 1 . 4 ARG HD* . . c25209_2muf 1 56 1 . . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 TYR H . . A . 5 TYR HB2 . 1 . 5 TYR HN . . . 1 . 5 TYR HBR . . c25209_2muf 1 57 1 . . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 TYR H . . A . 5 TYR HB3 . 1 . 5 TYR HN . . . 1 . 5 TYR HBS . . c25209_2muf 1 58 1 . . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 TYR HA . . A . 5 TYR HB2 . 1 . 5 TYR HA . . . 1 . 5 TYR HBR . . c25209_2muf 1 59 1 . . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 TYR HA . . A . 5 TYR HB3 . 1 . 5 TYR HA . . . 1 . 5 TYR HBS . . c25209_2muf 1 60 1 . . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 5 TYR HA . . A . 5 TYR QD . 1 . 5 TYR HA . . . 1 . 5 TYR HD* . . c25209_2muf 1 61 1 . . 1 1 5 5 TYR HB2 H . . . 1 1 5 5 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 5 TYR HB2 . . A . 5 TYR QD . 1 . 5 TYR HBR . . . 1 . 5 TYR HD* . . c25209_2muf 1 62 1 . . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 5 TYR HB3 . . A . 5 TYR QD . 1 . 5 TYR HBS . . . 1 . 5 TYR HD* . . c25209_2muf 1 63 1 . . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR QE H . . . . . 2.8 1.8 6.8 . . . . . A . 5 TYR QD . . A . 5 TYR QE . 1 . 5 TYR HD* . . . 1 . 5 TYR HE* . . c25209_2muf 1 64 1 . . 1 1 6 6 ASN H H . . . 1 1 6 6 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN H . . A . 6 ASN HB2 . 1 . 6 ASN HN . . . 1 . 6 ASN HBS . . c25209_2muf 1 65 1 . . 1 1 6 6 ASN H H . . . 1 1 6 6 ASN HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN H . . A . 6 ASN HB3 . 1 . 6 ASN HN . . . 1 . 6 ASN HBR . . c25209_2muf 1 66 1 . . 1 1 6 6 ASN HA H . . . 1 1 6 6 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN HA . . A . 6 ASN HB2 . 1 . 6 ASN HA . . . 1 . 6 ASN HBS . . c25209_2muf 1 67 1 . . 1 1 6 6 ASN HA H . . . 1 1 6 6 ASN HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN HA . . A . 6 ASN HB3 . 1 . 6 ASN HA . . . 1 . 6 ASN HBR . . c25209_2muf 1 68 1 . . 1 1 6 6 ASN HA H . . . 1 1 6 6 ASN HD22 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ASN HA . . A . 6 ASN HD22 . 1 . 6 ASN HA . . . 1 . 6 ASN HD22 . . c25209_2muf 1 69 1 . . 1 1 6 6 ASN HB2 H . . . 1 1 6 6 ASN HD22 H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN HB2 . . A . 6 ASN HD22 . 1 . 6 ASN HBS . . . 1 . 6 ASN HD22 . . c25209_2muf 1 70 1 . . 1 1 6 6 ASN HB3 H . . . 1 1 6 6 ASN HD22 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ASN HB3 . . A . 6 ASN HD22 . 1 . 6 ASN HBR . . . 1 . 6 ASN HD22 . . c25209_2muf 1 71 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LYS H . . A . 7 LYS HB2 . 1 . 7 LYS HN . . . 1 . 7 LYS HB* . . c25209_2muf 1 71 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LYS H . . A . 7 LYS HB3 . 1 . 7 LYS HN . . . 1 . 7 LYS HB* . . c25209_2muf 1 72 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG2 H . . . . . 5.0 3.5 5.0 . . . . . A . 7 LYS H . . A . 7 LYS HG2 . 1 . 7 LYS HN . . . 1 . 7 LYS HGR . . c25209_2muf 1 73 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 7 LYS H . . A . 7 LYS HG3 . 1 . 7 LYS HN . . . 1 . 7 LYS HGS . . c25209_2muf 1 74 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LYS H . . A . 7 LYS HD2 . 1 . 7 LYS HN . . . 1 . 7 LYS HD* . . c25209_2muf 1 74 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LYS H . . A . 7 LYS HD3 . 1 . 7 LYS HN . . . 1 . 7 LYS HD* . . c25209_2muf 1 75 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LYS HA . . A . 7 LYS HB2 . 1 . 7 LYS HA . . . 1 . 7 LYS HB* . . c25209_2muf 1 75 2 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LYS HA . . A . 7 LYS HB3 . 1 . 7 LYS HA . . . 1 . 7 LYS HB* . . c25209_2muf 1 76 1 . . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 7 LYS HA . . A . 7 LYS HG2 . 1 . 7 LYS HA . . . 1 . 7 LYS HGR . . c25209_2muf 1 77 1 . . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LYS HA . . A . 7 LYS HG3 . 1 . 7 LYS HA . . . 1 . 7 LYS HGS . . c25209_2muf 1 78 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 7 LYS HA . . A . 7 LYS HD2 . 1 . 7 LYS HA . . . 1 . 7 LYS HD* . . c25209_2muf 1 78 2 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HD3 H . . . . . 3.5 2.8 4.5 . . . . . A . 7 LYS HA . . A . 7 LYS HD3 . 1 . 7 LYS HA . . . 1 . 7 LYS HD* . . c25209_2muf 1 79 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HE2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LYS HA . . A . 7 LYS HE2 . 1 . 7 LYS HA . . . 1 . 7 LYS HE* . . c25209_2muf 1 79 2 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HE3 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LYS HA . . A . 7 LYS HE3 . 1 . 7 LYS HA . . . 1 . 7 LYS HE* . . c25209_2muf 1 80 1 OR . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 SER H . . A . 8 SER HB2 . 1 . 8 SER HN . . . 1 . 8 SER HB* . . c25209_2muf 1 80 2 OR . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 SER H . . A . 8 SER HB3 . 1 . 8 SER HN . . . 1 . 8 SER HB* . . c25209_2muf 1 81 1 OR . 1 1 8 8 SER HA H . . . 1 1 8 8 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 SER HA . . A . 8 SER HB2 . 1 . 8 SER HA . . . 1 . 8 SER HB* . . c25209_2muf 1 81 2 OR . 1 1 8 8 SER HA H . . . 1 1 8 8 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 SER HA . . A . 8 SER HB3 . 1 . 8 SER HA . . . 1 . 8 SER HB* . . c25209_2muf 1 82 1 . . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 PHE H . . A . 9 PHE HB2 . 1 . 9 PHE HN . . . 1 . 9 PHE HBR . . c25209_2muf 1 83 1 . . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 PHE H . . A . 9 PHE HB3 . 1 . 9 PHE HN . . . 1 . 9 PHE HBS . . c25209_2muf 1 84 1 . . 1 1 9 9 PHE HA H . . . 1 1 9 9 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 PHE HA . . A . 9 PHE HB2 . 1 . 9 PHE HA . . . 1 . 9 PHE HBR . . c25209_2muf 1 85 1 . . 1 1 9 9 PHE HA H . . . 1 1 9 9 PHE HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 9 PHE HA . . A . 9 PHE HB3 . 1 . 9 PHE HA . . . 1 . 9 PHE HBS . . c25209_2muf 1 86 1 . . 1 1 9 9 PHE HB3 H . . . 1 1 9 9 PHE QD H . . . . . 2.8 1.8 4.8 . . . . . A . 9 PHE HB3 . . A . 9 PHE QD . 1 . 9 PHE HBS . . . 1 . 9 PHE HD* . . c25209_2muf 1 87 1 . . 1 1 9 9 PHE HB2 H . . . 1 1 9 9 PHE QD H . . . . . 2.8 1.8 4.8 . . . . . A . 9 PHE HB2 . . A . 9 PHE QD . 1 . 9 PHE HBR . . . 1 . 9 PHE HD* . . c25209_2muf 1 88 1 . . 1 1 9 9 PHE HA H . . . 1 1 9 9 PHE QD H . . . . . 2.8 1.8 4.8 . . . . . A . 9 PHE HA . . A . 9 PHE QD . 1 . 9 PHE HA . . . 1 . 9 PHE HD* . . c25209_2muf 1 89 1 . . 1 1 9 9 PHE QD H . . . 1 1 9 9 PHE QE H . . . . . 2.8 1.8 6.8 . . . . . A . 9 PHE QD . . A . 9 PHE QE . 1 . 9 PHE HD* . . . 1 . 9 PHE HE* . . c25209_2muf 1 90 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ILE H . . A . 10 ILE HB . 1 . 10 ILE HN . . . 1 . 10 ILE HB . . c25209_2muf 1 91 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HG12 H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ILE H . . A . 10 ILE HG12 . 1 . 10 ILE HN . . . 1 . 10 ILE HG1R . . c25209_2muf 1 92 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE HG13 H . . . . . 3.5 2.8 3.5 . . . . . A . 10 ILE H . . A . 10 ILE HG13 . 1 . 10 ILE HN . . . 1 . 10 ILE HG1S . . c25209_2muf 1 93 1 . . 1 1 10 10 ILE H H . . . 1 1 10 10 ILE MG H . . . . . 3.5 2.8 4.5 . . . . . A . 10 ILE H . . A . 10 ILE MG . 1 . 10 ILE HN . . . 1 . 10 ILE HG2* . . c25209_2muf 1 94 1 . . 1 1 10 10 ILE HA H . . . 1 1 10 10 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ILE HA . . A . 10 ILE HB . 1 . 10 ILE HA . . . 1 . 10 ILE HB . . c25209_2muf 1 95 1 . . 1 1 10 10 ILE HA H . . . 1 1 10 10 ILE HG13 H . . . . . 3.5 2.8 3.5 . . . . . A . 10 ILE HA . . A . 10 ILE HG13 . 1 . 10 ILE HA . . . 1 . 10 ILE HG1S . . c25209_2muf 1 96 1 . . 1 1 10 10 ILE HA H . . . 1 1 10 10 ILE HG12 H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ILE HA . . A . 10 ILE HG12 . 1 . 10 ILE HA . . . 1 . 10 ILE HG1R . . c25209_2muf 1 97 1 . . 1 1 10 10 ILE HA H . . . 1 1 10 10 ILE MG H . . . . . 2.8 1.8 3.8 . . . . . A . 10 ILE HA . . A . 10 ILE MG . 1 . 10 ILE HA . . . 1 . 10 ILE HG2* . . c25209_2muf 1 98 1 OR . 1 1 11 11 ASN H H . . . 1 1 11 11 ASN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ASN H . . A . 11 ASN HB2 . 1 . 11 ASN HN . . . 1 . 11 ASN HB* . . c25209_2muf 1 98 2 OR . 1 1 11 11 ASN H H . . . 1 1 11 11 ASN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ASN H . . A . 11 ASN HB3 . 1 . 11 ASN HN . . . 1 . 11 ASN HB* . . c25209_2muf 1 99 1 OR . 1 1 11 11 ASN HA H . . . 1 1 11 11 ASN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ASN HA . . A . 11 ASN HB2 . 1 . 11 ASN HA . . . 1 . 11 ASN HB* . . c25209_2muf 1 99 2 OR . 1 1 11 11 ASN HA H . . . 1 1 11 11 ASN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ASN HA . . A . 11 ASN HB3 . 1 . 11 ASN HA . . . 1 . 11 ASN HB* . . c25209_2muf 1 100 1 . . 1 1 11 11 ASN HA H . . . 1 1 11 11 ASN HD22 H . . . . . 2.8 1.8 2.8 . . . . . A . 11 ASN HA . . A . 11 ASN HD22 . 1 . 11 ASN HA . . . 1 . 11 ASN HD22 . . c25209_2muf 1 101 1 OR . 1 1 11 11 ASN HD22 H . . . 1 1 11 11 ASN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ASN HD22 . . A . 11 ASN HB2 . 1 . 11 ASN HD22 . . . 1 . 11 ASN HB* . . c25209_2muf 1 101 2 OR . 1 1 11 11 ASN HB3 H . . . 1 1 11 11 ASN HD22 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ASN HB3 . . A . 11 ASN HD22 . 1 . 11 ASN HB* . . . 1 . 11 ASN HD22 . . c25209_2muf 1 102 1 OR . 1 1 12 12 ASN H H . . . 1 1 12 12 ASN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 ASN H . . A . 12 ASN HB2 . 1 . 12 ASN HN . . . 1 . 12 ASN HB* . . c25209_2muf 1 102 2 OR . 1 1 12 12 ASN H H . . . 1 1 12 12 ASN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 ASN H . . A . 12 ASN HB3 . 1 . 12 ASN HN . . . 1 . 12 ASN HB* . . c25209_2muf 1 103 1 OR . 1 1 12 12 ASN HA H . . . 1 1 12 12 ASN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 ASN HA . . A . 12 ASN HB2 . 1 . 12 ASN HA . . . 1 . 12 ASN HB* . . c25209_2muf 1 103 2 OR . 1 1 12 12 ASN HA H . . . 1 1 12 12 ASN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 ASN HA . . A . 12 ASN HB3 . 1 . 12 ASN HA . . . 1 . 12 ASN HB* . . c25209_2muf 1 104 1 . . 1 1 12 12 ASN HA H . . . 1 1 12 12 ASN HD22 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 ASN HA . . A . 12 ASN HD22 . 1 . 12 ASN HA . . . 1 . 12 ASN HD22 . . c25209_2muf 1 105 1 OR . 1 1 12 12 ASN HD22 H . . . 1 1 12 12 ASN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 ASN HD22 . . A . 12 ASN HB2 . 1 . 12 ASN HD22 . . . 1 . 12 ASN HB* . . c25209_2muf 1 105 2 OR . 1 1 12 12 ASN HB3 H . . . 1 1 12 12 ASN HD22 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 ASN HB3 . . A . 12 ASN HD22 . 1 . 12 ASN HB* . . . 1 . 12 ASN HD22 . . c25209_2muf 1 106 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ARG H . . A . 13 ARG HB2 . 1 . 13 ARG HN . . . 1 . 13 ARG HB* . . c25209_2muf 1 106 2 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ARG H . . A . 13 ARG HB3 . 1 . 13 ARG HN . . . 1 . 13 ARG HB* . . c25209_2muf 1 107 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ARG H . . A . 13 ARG HG2 . 1 . 13 ARG HN . . . 1 . 13 ARG HG* . . c25209_2muf 1 107 2 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ARG H . . A . 13 ARG HG3 . 1 . 13 ARG HN . . . 1 . 13 ARG HG* . . c25209_2muf 1 108 1 OR . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ARG HA . . A . 13 ARG HB2 . 1 . 13 ARG HA . . . 1 . 13 ARG HB* . . c25209_2muf 1 108 2 OR . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ARG HA . . A . 13 ARG HB3 . 1 . 13 ARG HA . . . 1 . 13 ARG HB* . . c25209_2muf 1 109 1 OR . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ARG HA . . A . 13 ARG HG2 . 1 . 13 ARG HA . . . 1 . 13 ARG HG* . . c25209_2muf 1 109 2 OR . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ARG HA . . A . 13 ARG HG3 . 1 . 13 ARG HA . . . 1 . 13 ARG HG* . . c25209_2muf 1 110 1 OR . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ARG HA . . A . 13 ARG HD2 . 1 . 13 ARG HA . . . 1 . 13 ARG HD* . . c25209_2muf 1 110 2 OR . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ARG HA . . A . 13 ARG HD3 . 1 . 13 ARG HA . . . 1 . 13 ARG HD* . . c25209_2muf 1 111 1 OR . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 LEU H . . A . 14 LEU HB2 . 1 . 14 LEU HN . . . 1 . 14 LEU HB* . . c25209_2muf 1 111 2 OR . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 LEU H . . A . 14 LEU HB3 . 1 . 14 LEU HN . . . 1 . 14 LEU HB* . . c25209_2muf 1 112 1 . . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 LEU H . . A . 14 LEU MD1 . 1 . 14 LEU HN . . . 1 . 14 LEU HDR* . . c25209_2muf 1 113 1 . . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 LEU H . . A . 14 LEU MD2 . 1 . 14 LEU HN . . . 1 . 14 LEU HDS* . . c25209_2muf 1 114 1 OR . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 LEU HA . . A . 14 LEU HB2 . 1 . 14 LEU HA . . . 1 . 14 LEU HB* . . c25209_2muf 1 114 2 OR . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 LEU HA . . A . 14 LEU HB3 . 1 . 14 LEU HA . . . 1 . 14 LEU HB* . . c25209_2muf 1 115 1 . . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 LEU HA . . A . 14 LEU MD1 . 1 . 14 LEU HA . . . 1 . 14 LEU HDR* . . c25209_2muf 1 116 1 . . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 LEU HA . . A . 14 LEU MD2 . 1 . 14 LEU HA . . . 1 . 14 LEU HDS* . . c25209_2muf 1 117 1 OR . 1 1 15 15 LEU H H . . . 1 1 15 15 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 LEU H . . A . 15 LEU HB2 . 1 . 15 LEU HN . . . 1 . 15 LEU HB* . . c25209_2muf 1 117 2 OR . 1 1 15 15 LEU H H . . . 1 1 15 15 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 LEU H . . A . 15 LEU HB3 . 1 . 15 LEU HN . . . 1 . 15 LEU HB* . . c25209_2muf 1 118 1 . . 1 1 15 15 LEU H H . . . 1 1 15 15 LEU MD1 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 LEU H . . A . 15 LEU MD1 . 1 . 15 LEU HN . . . 1 . 15 LEU HDR* . . c25209_2muf 1 119 1 . . 1 1 15 15 LEU H H . . . 1 1 15 15 LEU MD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 LEU H . . A . 15 LEU MD2 . 1 . 15 LEU HN . . . 1 . 15 LEU HDS* . . c25209_2muf 1 120 1 OR . 1 1 15 15 LEU HA H . . . 1 1 15 15 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 LEU HA . . A . 15 LEU HB2 . 1 . 15 LEU HA . . . 1 . 15 LEU HB* . . c25209_2muf 1 120 2 OR . 1 1 15 15 LEU HA H . . . 1 1 15 15 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 LEU HA . . A . 15 LEU HB3 . 1 . 15 LEU HA . . . 1 . 15 LEU HB* . . c25209_2muf 1 121 1 . . 1 1 15 15 LEU HA H . . . 1 1 15 15 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 15 LEU HA . . A . 15 LEU MD1 . 1 . 15 LEU HA . . . 1 . 15 LEU HDR* . . c25209_2muf 1 122 1 . . 1 1 15 15 LEU HA H . . . 1 1 15 15 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 15 LEU HA . . A . 15 LEU MD2 . 1 . 15 LEU HA . . . 1 . 15 LEU HDS* . . c25209_2muf 1 123 1 . . 1 1 16 16 ASN H H . . . 1 1 16 16 ASN HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ASN H . . A . 16 ASN HB2 . 1 . 16 ASN HN . . . 1 . 16 ASN HBS . . c25209_2muf 1 124 1 . . 1 1 16 16 ASN H H . . . 1 1 16 16 ASN HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 16 ASN H . . A . 16 ASN HB3 . 1 . 16 ASN HN . . . 1 . 16 ASN HBR . . c25209_2muf 1 125 1 . . 1 1 16 16 ASN HA H . . . 1 1 16 16 ASN HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ASN HA . . A . 16 ASN HB2 . 1 . 16 ASN HA . . . 1 . 16 ASN HBS . . c25209_2muf 1 126 1 . . 1 1 16 16 ASN HA H . . . 1 1 16 16 ASN HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 16 ASN HA . . A . 16 ASN HB3 . 1 . 16 ASN HA . . . 1 . 16 ASN HBR . . c25209_2muf 1 127 1 . . 1 1 16 16 ASN HA H . . . 1 1 16 16 ASN HD22 H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ASN HA . . A . 16 ASN HD22 . 1 . 16 ASN HA . . . 1 . 16 ASN HD22 . . c25209_2muf 1 128 1 . . 1 1 16 16 ASN HB2 H . . . 1 1 16 16 ASN HD22 H . . . . . 3.5 2.8 3.5 . . . . . A . 16 ASN HB2 . . A . 16 ASN HD22 . 1 . 16 ASN HBS . . . 1 . 16 ASN HD22 . . c25209_2muf 1 129 1 . . 1 1 16 16 ASN HB3 H . . . 1 1 16 16 ASN HD22 H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ASN HB3 . . A . 16 ASN HD22 . 1 . 16 ASN HBR . . . 1 . 16 ASN HD22 . . c25209_2muf 1 130 1 OR . 1 1 17 17 GLU H H . . . 1 1 17 17 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 GLU H . . A . 17 GLU HB2 . 1 . 17 GLU HN . . . 1 . 17 GLU HB* . . c25209_2muf 1 130 2 OR . 1 1 17 17 GLU H H . . . 1 1 17 17 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 GLU H . . A . 17 GLU HB3 . 1 . 17 GLU HN . . . 1 . 17 GLU HB* . . c25209_2muf 1 131 1 . . 1 1 17 17 GLU H H . . . 1 1 17 17 GLU HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 17 GLU H . . A . 17 GLU HG2 . 1 . 17 GLU HN . . . 1 . 17 GLU HGS . . c25209_2muf 1 132 1 . . 1 1 17 17 GLU H H . . . 1 1 17 17 GLU HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 17 GLU H . . A . 17 GLU HG3 . 1 . 17 GLU HN . . . 1 . 17 GLU HGR . . c25209_2muf 1 133 1 OR . 1 1 17 17 GLU HA H . . . 1 1 17 17 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 GLU HA . . A . 17 GLU HB2 . 1 . 17 GLU HA . . . 1 . 17 GLU HB* . . c25209_2muf 1 133 2 OR . 1 1 17 17 GLU HA H . . . 1 1 17 17 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 GLU HA . . A . 17 GLU HB3 . 1 . 17 GLU HA . . . 1 . 17 GLU HB* . . c25209_2muf 1 134 1 . . 1 1 17 17 GLU HA H . . . 1 1 17 17 GLU HG2 H . . . . . 5.0 3.5 5.0 . . . . . A . 17 GLU HA . . A . 17 GLU HG2 . 1 . 17 GLU HA . . . 1 . 17 GLU HGS . . c25209_2muf 1 135 1 . . 1 1 18 18 HIS H H . . . 1 1 18 18 HIS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 HIS H . . A . 18 HIS HB2 . 1 . 18 HIS HN . . . 1 . 18 HIS HBS . . c25209_2muf 1 136 1 . . 1 1 18 18 HIS H H . . . 1 1 18 18 HIS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 18 HIS H . . A . 18 HIS HB3 . 1 . 18 HIS HN . . . 1 . 18 HIS HBR . . c25209_2muf 1 137 1 . . 1 1 18 18 HIS HA H . . . 1 1 18 18 HIS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 HIS HA . . A . 18 HIS HB2 . 1 . 18 HIS HA . . . 1 . 18 HIS HBS . . c25209_2muf 1 138 1 . . 1 1 18 18 HIS HA H . . . 1 1 18 18 HIS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 HIS HA . . A . 18 HIS HB3 . 1 . 18 HIS HA . . . 1 . 18 HIS HBR . . c25209_2muf 1 139 1 . . 1 1 19 19 ALA H H . . . 1 1 19 19 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 19 ALA H . . A . 19 ALA MB . 1 . 19 ALA HN . . . 1 . 19 ALA HB* . . c25209_2muf 1 140 1 . . 1 1 19 19 ALA HA H . . . 1 1 19 19 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 19 ALA HA . . A . 19 ALA MB . 1 . 19 ALA HA . . . 1 . 19 ALA HB* . . c25209_2muf 1 141 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 . . c25209_2muf 1 142 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 . . c25209_2muf 1 143 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 . . c25209_2muf 1 144 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 . . c25209_2muf 1 145 1 . . 1 1 2 2 ASP H H . . . 1 1 3 3 VAL H H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ASP H . . A . 3 VAL H . 1 . 2 ASP HN . . . 1 . 3 VAL HN . . c25209_2muf 1 146 1 . . 1 1 3 3 VAL H H . . . 1 1 4 4 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 3 VAL H . . A . 4 ARG H . 1 . 3 VAL HN . . . 1 . 4 ARG HN . . c25209_2muf 1 147 1 . . 1 1 4 4 ARG H H . . . 1 1 5 5 TYR H H . . . . . 2.8 1.8 2.8 . . . . . A . 4 ARG H . . A . 5 TYR H . 1 . 4 ARG HN . . . 1 . 5 TYR HN . . c25209_2muf 1 148 1 . . 1 1 5 5 TYR H H . . . 1 1 6 6 ASN H H . . . . . 2.8 1.8 2.8 . . . . . A . 5 TYR H . . A . 6 ASN H . 1 . 5 TYR HN . . . 1 . 6 ASN HN . . c25209_2muf 1 149 1 . . 1 1 6 6 ASN H H . . . 1 1 7 7 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ASN H . . A . 7 LYS H . 1 . 6 ASN HN . . . 1 . 7 LYS HN . . c25209_2muf 1 150 1 . . 1 1 7 7 LYS H H . . . 1 1 8 8 SER H H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LYS H . . A . 8 SER H . 1 . 7 LYS HN . . . 1 . 8 SER HN . . c25209_2muf 1 151 1 . . 1 1 8 8 SER H H . . . 1 1 9 9 PHE H H . . . . . 2.8 1.8 2.8 . . . . . A . 8 SER H . . A . 9 PHE H . 1 . 8 SER HN . . . 1 . 9 PHE HN . . c25209_2muf 1 152 1 . . 1 1 9 9 PHE H H . . . 1 1 10 10 ILE H H . . . . . 2.8 1.8 2.8 . . . . . A . 9 PHE H . . A . 10 ILE H . 1 . 9 PHE HN . . . 1 . 10 ILE HN . . c25209_2muf 1 153 1 . . 1 1 10 10 ILE H H . . . 1 1 11 11 ASN H H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ILE H . . A . 11 ASN H . 1 . 10 ILE HN . . . 1 . 11 ASN HN . . c25209_2muf 1 154 1 . . 1 1 11 11 ASN H H . . . 1 1 12 12 ASN H H . . . . . 2.8 1.8 2.8 . . . . . A . 11 ASN H . . A . 12 ASN H . 1 . 11 ASN HN . . . 1 . 12 ASN HN . . c25209_2muf 1 155 1 . . 1 1 12 12 ASN H H . . . 1 1 13 13 ARG H H . . . . . 2.8 1.8 2.8 . . . . . A . 12 ASN H . . A . 13 ARG H . 1 . 12 ASN HN . . . 1 . 13 ARG HN . . c25209_2muf 1 156 1 . . 1 1 13 13 ARG H H . . . 1 1 14 14 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 13 ARG H . . A . 14 LEU H . 1 . 13 ARG HN . . . 1 . 14 LEU HN . . c25209_2muf 1 157 1 . . 1 1 14 14 LEU H H . . . 1 1 15 15 LEU H H . . . . . 2.8 1.8 2.8 . . . . . A . 14 LEU H . . A . 15 LEU H . 1 . 14 LEU HN . . . 1 . 15 LEU HN . . c25209_2muf 1 158 1 . . 1 1 15 15 LEU H H . . . 1 1 16 16 ASN H H . . . . . 2.8 1.8 2.8 . . . . . A . 15 LEU H . . A . 16 ASN H . 1 . 15 LEU HN . . . 1 . 16 ASN HN . . c25209_2muf 1 159 1 . . 1 1 16 16 ASN H H . . . 1 1 17 17 GLU H H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ASN H . . A . 17 GLU H . 1 . 16 ASN HN . . . 1 . 17 GLU HN . . c25209_2muf 1 160 1 . . 1 1 17 17 GLU H H . . . 1 1 18 18 HIS H H . . . . . 2.8 1.8 2.8 . . . . . A . 17 GLU H . . A . 18 HIS H . 1 . 17 GLU HN . . . 1 . 18 HIS HN . . c25209_2muf 1 161 1 . . 1 1 18 18 HIS H H . . . 1 1 19 19 ALA H H . . . . . 2.8 1.8 2.8 . . . . . A . 18 HIS H . . A . 19 ALA H . 1 . 18 HIS HN . . . 1 . 19 ALA HN . . c25209_2muf 1 162 1 . . 1 1 19 19 ALA H H . . . 1 1 20 20 HIS H H . . . . . 2.8 1.8 2.8 . . . . . A . 19 ALA H . . A . 20 HIS H . 1 . 19 ALA HN . . . 1 . 20 HIS HN . . c25209_2muf 1 163 1 . . 1 1 19 19 ALA H H . . . 1 1 18 18 HIS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 19 ALA H . . A . 18 HIS HB2 . 1 . 19 ALA HN . . . 1 . 18 HIS HBS . . c25209_2muf 1 164 1 . . 1 1 19 19 ALA H H . . . 1 1 18 18 HIS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 19 ALA H . . A . 18 HIS HB3 . 1 . 19 ALA HN . . . 1 . 18 HIS HBR . . c25209_2muf 1 165 1 . . 1 1 10 10 ILE H H . . . 1 1 9 9 PHE HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 10 ILE H . . A . 9 PHE HB2 . 1 . 10 ILE HN . . . 1 . 9 PHE HBR . . c25209_2muf 1 166 1 . . 1 1 10 10 ILE H H . . . 1 1 9 9 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 10 ILE H . . A . 9 PHE HB3 . 1 . 10 ILE HN . . . 1 . 9 PHE HBS . . c25209_2muf 1 167 1 . . 1 1 6 6 ASN H H . . . 1 1 5 5 TYR HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN H . . A . 5 TYR HB2 . 1 . 6 ASN HN . . . 1 . 5 TYR HBR . . c25209_2muf 1 168 1 . . 1 1 6 6 ASN H H . . . 1 1 5 5 TYR HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN H . . A . 5 TYR HB3 . 1 . 6 ASN HN . . . 1 . 5 TYR HBS . . c25209_2muf 1 169 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 7 LYS H . . A . 6 ASN HB2 . 1 . 7 LYS HN . . . 1 . 6 ASN HBS . . c25209_2muf 1 170 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 ASN HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LYS H . . A . 6 ASN HB3 . 1 . 7 LYS HN . . . 1 . 6 ASN HBR . . c25209_2muf 1 171 1 . . 1 1 17 17 GLU H H . . . 1 1 16 16 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 17 GLU H . . A . 16 ASN HB2 . 1 . 17 GLU HN . . . 1 . 16 ASN HBS . . c25209_2muf 1 172 1 . . 1 1 17 17 GLU H H . . . 1 1 16 16 ASN HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 17 GLU H . . A . 16 ASN HB3 . 1 . 17 GLU HN . . . 1 . 16 ASN HBR . . c25209_2muf 1 173 1 OR . 1 1 14 14 LEU H H . . . 1 1 13 13 ARG HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 LEU H . . A . 13 ARG HB2 . 1 . 14 LEU HN . . . 1 . 13 ARG HB* . . c25209_2muf 1 173 2 OR . 1 1 14 14 LEU H H . . . 1 1 13 13 ARG HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 LEU H . . A . 13 ARG HB3 . 1 . 14 LEU HN . . . 1 . 13 ARG HB* . . c25209_2muf 1 174 1 . . 1 1 11 11 ASN H H . . . 1 1 10 10 ILE HB H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ASN H . . A . 10 ILE HB . 1 . 11 ASN HN . . . 1 . 10 ILE HB . . c25209_2muf 1 175 1 OR . 1 1 8 8 SER H H . . . 1 1 7 7 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 SER H . . A . 7 LYS HB2 . 1 . 8 SER HN . . . 1 . 7 LYS HB* . . c25209_2muf 1 175 2 OR . 1 1 8 8 SER H H . . . 1 1 7 7 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 SER H . . A . 7 LYS HB3 . 1 . 8 SER HN . . . 1 . 7 LYS HB* . . c25209_2muf 1 176 1 OR . 1 1 15 15 LEU H H . . . 1 1 14 14 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 LEU H . . A . 14 LEU HB2 . 1 . 15 LEU HN . . . 1 . 14 LEU HB* . . c25209_2muf 1 176 2 OR . 1 1 15 15 LEU H H . . . 1 1 14 14 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 LEU H . . A . 14 LEU HB3 . 1 . 15 LEU HN . . . 1 . 14 LEU HB* . . c25209_2muf 1 177 1 . . 1 1 20 20 HIS H H . . . 1 1 19 19 ALA MB H . . . . . 3.5 2.8 4.5 . . . . . A . 20 HIS H . . A . 19 ALA MB . 1 . 20 HIS HN . . . 1 . 19 ALA HB* . . c25209_2muf 1 178 1 . . 1 1 12 12 ASN H H . . . 1 1 10 10 ILE HB H . . . . . 5.0 3.5 5.0 . . . . . A . 12 ASN H . . A . 10 ILE HB . 1 . 12 ASN HN . . . 1 . 10 ILE HB . . c25209_2muf 1 179 1 OR . 1 1 13 13 ARG H H . . . 1 1 12 12 ASN HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 ARG H . . A . 12 ASN HB2 . 1 . 13 ARG HN . . . 1 . 12 ASN HB* . . c25209_2muf 1 179 2 OR . 1 1 13 13 ARG H H . . . 1 1 12 12 ASN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 ARG H . . A . 12 ASN HB3 . 1 . 13 ARG HN . . . 1 . 12 ASN HB* . . c25209_2muf 1 180 1 . . 1 1 6 6 ASN HA H . . . 1 1 8 8 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN HA . . A . 8 SER H . 1 . 6 ASN HA . . . 1 . 8 SER HN . . c25209_2muf 1 181 1 . . 1 1 7 7 LYS HA H . . . 1 1 9 9 PHE H H . . . . . 5.0 3.5 5.0 . . . . . A . 7 LYS HA . . A . 9 PHE H . 1 . 7 LYS HA . . . 1 . 9 PHE HN . . c25209_2muf 1 182 1 . . 1 1 8 8 SER HA H . . . 1 1 10 10 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 8 SER HA . . A . 10 ILE H . 1 . 8 SER HA . . . 1 . 10 ILE HN . . c25209_2muf 1 183 1 . . 1 1 9 9 PHE HA H . . . 1 1 11 11 ASN H H . . . . . 5.0 3.5 5.0 . . . . . A . 9 PHE HA . . A . 11 ASN H . 1 . 9 PHE HA . . . 1 . 11 ASN HN . . c25209_2muf 1 184 1 . . 1 1 12 12 ASN HA H . . . 1 1 14 14 LEU H H . . . . . 5.0 3.5 5.0 . . . . . A . 12 ASN HA . . A . 14 LEU H . 1 . 12 ASN HA . . . 1 . 14 LEU HN . . c25209_2muf 1 185 1 . . 1 1 13 13 ARG HA H . . . 1 1 15 15 LEU H H . . . . . 5.0 3.5 5.0 . . . . . A . 13 ARG HA . . A . 15 LEU H . 1 . 13 ARG HA . . . 1 . 15 LEU HN . . c25209_2muf 1 186 1 . . 1 1 14 14 LEU HA H . . . 1 1 16 16 ASN H H . . . . . 5.0 3.5 5.0 . . . . . A . 14 LEU HA . . A . 16 ASN H . 1 . 14 LEU HA . . . 1 . 16 ASN HN . . c25209_2muf 1 187 1 . . 1 1 15 15 LEU HA H . . . 1 1 17 17 GLU H H . . . . . 5.0 3.5 5.0 . . . . . A . 15 LEU HA . . A . 17 GLU H . 1 . 15 LEU HA . . . 1 . 17 GLU HN . . c25209_2muf 1 188 1 . . 1 1 16 16 ASN HA H . . . 1 1 18 18 HIS H H . . . . . 5.0 3.5 5.0 . . . . . A . 16 ASN HA . . A . 18 HIS H . 1 . 16 ASN HA . . . 1 . 18 HIS HN . . c25209_2muf 1 189 1 . . 1 1 6 6 ASN HA H . . . 1 1 9 9 PHE H H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN HA . . A . 9 PHE H . 1 . 6 ASN HA . . . 1 . 9 PHE HN . . c25209_2muf 1 190 1 . . 1 1 8 8 SER HA H . . . 1 1 11 11 ASN H H . . . . . 2.8 1.8 2.8 . . . . . A . 8 SER HA . . A . 11 ASN H . 1 . 8 SER HA . . . 1 . 11 ASN HN . . c25209_2muf 1 191 1 . . 1 1 9 9 PHE HA H . . . 1 1 12 12 ASN H H . . . . . 5.0 3.5 5.0 . . . . . A . 9 PHE HA . . A . 12 ASN H . 1 . 9 PHE HA . . . 1 . 12 ASN HN . . c25209_2muf 1 192 1 . . 1 1 10 10 ILE HA H . . . 1 1 13 13 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 10 ILE HA . . A . 13 ARG H . 1 . 10 ILE HA . . . 1 . 13 ARG HN . . c25209_2muf 1 193 1 . . 1 1 13 13 ARG HA H . . . 1 1 16 16 ASN H H . . . . . 2.8 1.8 2.8 . . . . . A . 13 ARG HA . . A . 16 ASN H . 1 . 13 ARG HA . . . 1 . 16 ASN HN . . c25209_2muf 1 194 1 . . 1 1 14 14 LEU HA H . . . 1 1 17 17 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 14 LEU HA . . A . 17 GLU H . 1 . 14 LEU HA . . . 1 . 17 GLU HN . . c25209_2muf 1 195 1 . . 1 1 15 15 LEU HA H . . . 1 1 18 18 HIS H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LEU HA . . A . 18 HIS H . 1 . 15 LEU HA . . . 1 . 18 HIS HN . . c25209_2muf 1 196 1 . . 1 1 16 16 ASN HA H . . . 1 1 19 19 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 16 ASN HA . . A . 19 ALA H . 1 . 16 ASN HA . . . 1 . 19 ALA HN . . c25209_2muf 1 197 1 . . 1 1 6 6 ASN HA H . . . 1 1 10 10 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASN HA . . A . 10 ILE H . 1 . 6 ASN HA . . . 1 . 10 ILE HN . . c25209_2muf 1 198 1 . . 1 1 8 8 SER HA H . . . 1 1 12 12 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 8 SER HA . . A . 12 ASN H . 1 . 8 SER HA . . . 1 . 12 ASN HN . . c25209_2muf 1 199 1 . . 1 1 9 9 PHE HA H . . . 1 1 13 13 ARG H H . . . . . 5.0 3.5 5.0 . . . . . A . 9 PHE HA . . A . 13 ARG H . 1 . 9 PHE HA . . . 1 . 13 ARG HN . . c25209_2muf 1 200 1 . . 1 1 12 12 ASN HA H . . . 1 1 16 16 ASN H H . . . . . 5.0 3.5 5.0 . . . . . A . 12 ASN HA . . A . 16 ASN H . 1 . 12 ASN HA . . . 1 . 16 ASN HN . . c25209_2muf 1 201 1 . . 1 1 13 13 ARG HA H . . . 1 1 17 17 GLU H H . . . . . 5.0 3.5 5.0 . . . . . A . 13 ARG HA . . A . 17 GLU H . 1 . 13 ARG HA . . . 1 . 17 GLU HN . . c25209_2muf 1 202 1 . . 1 1 14 14 LEU HA H . . . 1 1 18 18 HIS H H . . . . . 5.0 3.5 5.0 . . . . . A . 14 LEU HA . . A . 18 HIS H . 1 . 14 LEU HA . . . 1 . 18 HIS HN . . c25209_2muf 1 203 1 . . 1 1 15 15 LEU HA H . . . 1 1 19 19 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LEU HA . . A . 19 ALA H . 1 . 15 LEU HA . . . 1 . 19 ALA HN . . c25209_2muf 1 204 1 . . 1 1 16 16 ASN HA H . . . 1 1 20 20 HIS H H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ASN HA . . A . 20 HIS H . 1 . 16 ASN HA . . . 1 . 20 HIS HN . . c25209_2muf 1 205 1 OR . 1 1 10 10 ILE HA H . . . 1 1 13 13 ARG HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 ILE HA . . A . 13 ARG HB2 . 1 . 10 ILE HA . . . 1 . 13 ARG HB* . . c25209_2muf 1 205 2 OR . 1 1 10 10 ILE HA H . . . 1 1 13 13 ARG HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 ILE HA . . A . 13 ARG HB3 . 1 . 10 ILE HA . . . 1 . 13 ARG HB* . . c25209_2muf 1 206 1 OR . 1 1 10 10 ILE HA H . . . 1 1 13 13 ARG HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 ILE HA . . A . 13 ARG HG2 . 1 . 10 ILE HA . . . 1 . 13 ARG HG* . . c25209_2muf 1 206 2 OR . 1 1 10 10 ILE HA H . . . 1 1 13 13 ARG HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 ILE HA . . A . 13 ARG HG3 . 1 . 10 ILE HA . . . 1 . 13 ARG HG* . . c25209_2muf 1 207 1 OR . 1 1 14 14 LEU HA H . . . 1 1 17 17 GLU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 LEU HA . . A . 17 GLU HB2 . 1 . 14 LEU HA . . . 1 . 17 GLU HB* . . c25209_2muf 1 207 2 OR . 1 1 14 14 LEU HA H . . . 1 1 17 17 GLU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 LEU HA . . A . 17 GLU HB3 . 1 . 14 LEU HA . . . 1 . 17 GLU HB* . . c25209_2muf 1 208 1 . . 1 1 14 14 LEU HA H . . . 1 1 17 17 GLU HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 14 LEU HA . . A . 17 GLU HG2 . 1 . 14 LEU HA . . . 1 . 17 GLU HGS . . c25209_2muf 1 209 1 . . 1 1 14 14 LEU HA H . . . 1 1 17 17 GLU HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 14 LEU HA . . A . 17 GLU HG3 . 1 . 14 LEU HA . . . 1 . 17 GLU HGR . . c25209_2muf 1 210 1 OR . 1 1 11 11 ASN HA H . . . 1 1 14 14 LEU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 11 ASN HA . . A . 14 LEU HB2 . 1 . 11 ASN HA . . . 1 . 14 LEU HB* . . c25209_2muf 1 210 2 OR . 1 1 11 11 ASN HA H . . . 1 1 14 14 LEU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 11 ASN HA . . A . 14 LEU HB3 . 1 . 11 ASN HA . . . 1 . 14 LEU HB* . . c25209_2muf 1 211 1 . . 1 1 13 13 ARG HA H . . . 1 1 16 16 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 13 ARG HA . . A . 16 ASN HB2 . 1 . 13 ARG HA . . . 1 . 16 ASN HBS . . c25209_2muf 1 212 1 . . 1 1 13 13 ARG HA H . . . 1 1 16 16 ASN HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 13 ARG HA . . A . 16 ASN HB3 . 1 . 13 ARG HA . . . 1 . 16 ASN HBR . . c25209_2muf 1 213 1 . . 1 1 16 16 ASN HA H . . . 1 1 19 19 ALA MB H . . . . . 3.5 2.8 4.5 . . . . . A . 16 ASN HA . . A . 19 ALA MB . 1 . 16 ASN HA . . . 1 . 19 ALA HB* . . c25209_2muf 1 214 1 . . 1 1 15 15 LEU HA H . . . 1 1 18 18 HIS HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LEU HA . . A . 18 HIS HB2 . 1 . 15 LEU HA . . . 1 . 18 HIS HBS . . c25209_2muf 1 215 1 . . 1 1 15 15 LEU HA H . . . 1 1 18 18 HIS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LEU HA . . A . 18 HIS HB3 . 1 . 15 LEU HA . . . 1 . 18 HIS HBR . . c25209_2muf 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 c25209_2muf 1 2 strong: 2 87 2 96 c25209_2muf 1 3 strong: 3 87 3 102 c25209_2muf 1 4 strong: 4 87 4 107 c25209_2muf 1 5 strong: 5 87 5 108 c25209_2muf 1 6 strong: 6 87 6 95 c25209_2muf 1 7 medium: 7 87 7 98 c25209_2muf 1 8 strong: 8 87 8 106 c25209_2muf 1 9 strong: 9 87 9 111 c25209_2muf 1 10 strong: 10 87 10 94 c25209_2muf 1 11 strong: 11 87 11 94 c25209_2muf 1 12 medium: 12 87 12 94 c25209_2muf 1 13 medium: 13 87 13 94 c25209_2muf 1 14 strong: 14 87 14 94 c25209_2muf 1 15 strong: 15 87 15 94 c25209_2muf 1 16 strong: 16 87 16 94 c25209_2muf 1 17 strong: 17 87 17 94 c25209_2muf 1 18 strong: 18 87 18 94 c25209_2muf 1 19 medium: 19 87 19 94 c25209_2muf 1 20 medium: 20 87 20 94 c25209_2muf 1 21 medium: 21 87 21 94 c25209_2muf 1 22 strong: 22 87 22 94 c25209_2muf 1 23 strong: 23 87 23 95 c25209_2muf 1 24 medium: 24 87 24 94 c25209_2muf 1 25 medium: 25 87 25 94 c25209_2muf 1 26 medium: 26 87 26 100 c25209_2muf 1 27 medium: 27 87 27 97 c25209_2muf 1 28 medium: 28 87 28 102 c25209_2muf 1 29 strong: 29 87 29 95 c25209_2muf 1 30 medium: 30 87 30 97 c25209_2muf 1 31 medium: 31 87 31 110 c25209_2muf 1 32 medium: 32 87 32 94 c25209_2muf 1 33 medium: 33 87 33 102 c25209_2muf 1 34 medium: 34 87 34 94 c25209_2muf 1 35 medium: 35 87 35 94 c25209_2muf 1 36 medium: 36 87 36 94 c25209_2muf 1 37 medium: 37 87 37 94 c25209_2muf 1 38 medium: 38 87 38 94 c25209_2muf 1 39 medium: 39 87 39 94 c25209_2muf 1 40 medium: 40 87 40 94 c25209_2muf 1 41 strong: 41 87 41 96 c25209_2muf 1 42 medium: 42 87 42 94 c25209_2muf 1 43 strong: 43 87 43 94 c25209_2muf 1 44 strong: 44 87 44 94 c25209_2muf 1 45 medium: 45 87 45 94 c25209_2muf 1 46 strong: 46 87 46 95 c25209_2muf 1 47 strong: 47 87 47 95 c25209_2muf 1 48 strong: 48 87 48 95 c25209_2muf 1 49 strong: 49 87 49 95 c25209_2muf 1 50 strong: 50 87 50 95 c25209_2muf 1 51 medium: 51 87 51 94 c25209_2muf 1 52 strong: 52 87 52 96 c25209_2muf 1 53 medium: 53 87 53 97 c25209_2muf 1 54 strong: 54 87 54 94 c25209_2muf 1 55 strong: 55 87 55 94 c25209_2muf 1 56 strong: 56 87 56 94 c25209_2muf 1 57 medium: 57 87 57 97 c25209_2muf 1 58 strong: 58 87 58 96 c25209_2muf 1 59 strong: 59 87 59 96 c25209_2muf 1 60 strong: 60 87 60 94 c25209_2muf 1 61 strong: 61 87 61 94 c25209_2muf 1 62 strong: 62 87 62 95 c25209_2muf 1 63 strong: 63 87 63 94 c25209_2muf 1 64 strong: 64 87 64 94 c25209_2muf 1 65 strong: 65 87 65 94 c25209_2muf 1 66 medium: 66 87 66 94 c25209_2muf 1 67 medium: 67 87 67 94 c25209_2muf 1 68 medium: 68 87 68 94 c25209_2muf 1 69 medium: 69 87 69 94 c25209_2muf 1 70 strong: 70 87 70 95 c25209_2muf 1 71 medium: 71 87 71 94 c25209_2muf 1 72 strong: 72 87 72 95 c25209_2muf 1 73 strong: 73 87 73 99 c25209_2muf 1 74 weak: 74 87 74 92 c25209_2muf 1 75 medium: 75 87 75 94 c25209_2muf 1 76 strong: 76 87 76 94 c25209_2muf 1 77 strong: 77 87 77 94 c25209_2muf 1 78 medium: 78 87 78 94 c25209_2muf 1 79 strong: 79 87 79 95 c25209_2muf 1 80 medium: 80 87 80 94 c25209_2muf 1 81 strong: 81 87 81 94 c25209_2muf 1 82 strong: 82 87 82 94 c25209_2muf 1 83 strong: 83 87 83 94 c25209_2muf 1 84 strong: 84 87 84 96 c25209_2muf 1 85 strong: 85 87 85 95 c25209_2muf 1 86 strong: 86 87 86 95 c25209_2muf 1 87 medium: 87 87 87 97 c25209_2muf 1 88 strong: 88 87 88 95 c25209_2muf 1 89 strong: 89 87 89 95 c25209_2muf 1 90 strong: 90 87 90 95 c25209_2muf 1 91 strong: 91 87 91 95 c25209_2muf 1 92 strong: 92 87 92 95 c25209_2muf 1 93 strong: 93 87 93 95 c25209_2muf 1 94 medium: 94 87 94 94 c25209_2muf 1 95 medium: 95 87 95 94 c25209_2muf 1 96 strong: 96 87 96 96 c25209_2muf 1 97 medium: 97 87 97 94 c25209_2muf 1 98 strong: 98 87 98 95 c25209_2muf 1 99 strong: 99 87 99 96 c25209_2muf 1 100 strong: 100 87 100 96 c25209_2muf 1 101 strong: 101 87 101 94 c25209_2muf 1 102 strong: 102 87 102 95 c25209_2muf 1 103 strong: 103 87 103 95 c25209_2muf 1 104 strong: 104 87 104 96 c25209_2muf 1 105 strong: 105 87 105 94 c25209_2muf 1 106 strong: 106 87 106 95 c25209_2muf 1 107 strong: 107 87 107 95 c25209_2muf 1 108 strong: 108 87 108 97 c25209_2muf 1 109 strong: 109 87 109 95 c25209_2muf 1 110 strong: 110 87 110 94 c25209_2muf 1 111 strong: 111 87 111 94 c25209_2muf 1 112 strong: 112 87 112 94 c25209_2muf 1 113 strong: 113 87 113 96 c25209_2muf 1 114 medium: 114 87 114 94 c25209_2muf 1 115 medium: 115 87 115 94 c25209_2muf 1 116 strong: 116 87 116 95 c25209_2muf 1 117 medium: 117 87 117 97 c25209_2muf 1 118 medium: 118 87 118 97 c25209_2muf 1 119 strong: 119 87 119 96 c25209_2muf 1 120 strong: 120 87 120 95 c25209_2muf 1 121 strong: 121 87 121 94 c25209_2muf 1 122 strong: 122 87 122 95 c25209_2muf 1 123 medium: 123 87 123 94 c25209_2muf 1 124 medium: 124 87 124 94 c25209_2muf 1 125 strong: 125 87 125 96 c25209_2muf 1 126 medium: 126 87 126 94 c25209_2muf 1 127 strong: 127 87 127 94 c25209_2muf 1 128 medium: 128 87 128 97 c25209_2muf 1 129 strong: 129 87 129 95 c25209_2muf 1 130 medium: 130 87 130 94 c25209_2muf 1 131 strong: 131 87 131 95 c25209_2muf 1 132 strong: 132 87 132 96 c25209_2muf 1 133 medium: 133 87 133 94 c25209_2muf 1 134 weak: 134 87 134 92 c25209_2muf 1 135 strong: 135 87 135 95 c25209_2muf 1 136 weak: 136 87 136 92 c25209_2muf 1 137 strong: 137 87 137 99 c25209_2muf 1 138 medium: 138 87 138 94 c25209_2muf 1 139 strong: 139 87 139 94 c25209_2muf 1 140 strong: 140 87 140 94 c25209_2muf 1 141 strong: 141 87 141 96 c25209_2muf 1 142 strong: 142 87 142 94 c25209_2muf 1 143 strong: 143 87 143 99 c25209_2muf 1 144 strong: 144 87 144 94 c25209_2muf 1 145 strong: 145 87 145 94 c25209_2muf 1 146 strong: 146 87 146 94 c25209_2muf 1 147 strong: 147 87 147 94 c25209_2muf 1 148 strong: 148 87 148 94 c25209_2muf 1 149 medium: 149 87 149 94 c25209_2muf 1 150 strong: 150 87 150 94 c25209_2muf 1 151 strong: 151 87 151 94 c25209_2muf 1 152 strong: 152 87 152 107 c25209_2muf 1 153 strong: 153 87 153 94 c25209_2muf 1 154 strong: 154 87 154 96 c25209_2muf 1 155 strong: 155 87 155 113 c25209_2muf 1 156 strong: 156 87 156 94 c25209_2muf 1 157 strong: 157 87 157 94 c25209_2muf 1 158 strong: 158 87 158 94 c25209_2muf 1 159 medium: 159 87 159 96 c25209_2muf 1 160 strong: 160 87 160 94 c25209_2muf 1 161 strong: 161 87 161 94 c25209_2muf 1 162 strong: 162 87 162 94 c25209_2muf 1 163 strong: 163 87 163 94 c25209_2muf 1 164 strong: 164 87 164 94 c25209_2muf 1 165 strong: 165 87 165 94 c25209_2muf 1 166 strong: 166 87 166 94 c25209_2muf 1 167 medium: 167 87 167 94 c25209_2muf 1 168 medium: 168 87 168 94 c25209_2muf 1 169 strong: 169 87 169 94 c25209_2muf 1 170 medium: 170 87 170 94 c25209_2muf 1 171 medium: 171 87 171 94 c25209_2muf 1 172 medium: 172 87 172 94 c25209_2muf 1 173 strong: 173 87 173 94 c25209_2muf 1 174 medium: 174 87 174 94 c25209_2muf 1 175 medium: 175 87 175 94 c25209_2muf 1 176 strong: 176 87 176 94 c25209_2muf 1 177 medium: 177 87 177 94 c25209_2muf 1 178 strong: 178 87 178 94 c25209_2muf 1 179 strong: 179 87 179 94 c25209_2muf 1 180 medium: 180 87 180 94 c25209_2muf 1 181 weak: 181 87 181 92 c25209_2muf 1 182 medium: 182 87 182 94 c25209_2muf 1 183 medium: 183 87 183 94 c25209_2muf 1 184 weak: 184 87 184 92 c25209_2muf 1 185 medium: 185 87 185 94 c25209_2muf 1 186 weak: 186 87 186 92 c25209_2muf 1 187 weak: 187 87 187 92 c25209_2muf 1 188 weak: 188 87 188 92 c25209_2muf 1 189 weak: 189 87 189 92 c25209_2muf 1 190 weak: 190 87 190 92 c25209_2muf 1 191 weak: 191 87 191 92 c25209_2muf 1 192 medium: 192 87 192 94 c25209_2muf 1 193 strong: 193 87 193 94 c25209_2muf 1 194 weak: 194 87 194 92 c25209_2muf 1 195 medium: 195 87 195 94 c25209_2muf 1 196 strong: 196 87 196 94 c25209_2muf 1 197 medium: 197 87 197 94 c25209_2muf 1 198 medium: 198 87 198 94 c25209_2muf 1 199 medium: 199 87 199 94 c25209_2muf 1 200 medium: 200 87 200 94 c25209_2muf 1 201 medium: 201 87 201 94 c25209_2muf 1 202 weak: 202 87 202 92 c25209_2muf 1 203 weak: 203 87 203 92 c25209_2muf 1 204 weak: 204 87 204 92 c25209_2muf 1 205 weak: 205 87 205 92 c25209_2muf 1 206 medium: 206 87 206 94 c25209_2muf 1 207 strong: 207 87 207 94 c25209_2muf 1 208 strong: 208 87 208 94 c25209_2muf 1 209 strong: 209 87 209 94 c25209_2muf 1 210 medium: 210 87 210 94 c25209_2muf 1 211 strong: 211 87 211 94 c25209_2muf 1 212 medium: 212 87 212 94 c25209_2muf 1 213 medium: 213 87 213 94 c25209_2muf 1 214 medium: 214 87 214 94 c25209_2muf 1 215 strong: 215 87 215 94 c25209_2muf 1 216 medium: 216 87 216 94 c25209_2muf 1 217 medium: 217 87 217 94 c25209_2muf 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" c25209_2muf 1 2 4 146 1 "Not handling restraint 146, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25209_2muf 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 c25209_2muf _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 . . . . c25209_2muf 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 SER CA C . . 1 1 1 1 SER C C . . 1 1 2 2 ASP N N . . 1 1 2 2 ASP CA C . 178.0 180.0 . . . A . 1 SER CA . . A . 1 SER C . . A . 2 ASP N . . A . 2 ASP CA . 1 . 1 SER CA . . . 1 . 1 SER C . . . 1 . 2 ASP N . . . 1 . 2 ASP CA . . c25209_2muf 1 2 . . 1 1 2 2 ASP CA C . . 1 1 2 2 ASP C C . . 1 1 3 3 VAL N N . . 1 1 3 3 VAL CA C . 178.0 180.0 . . . A . 2 ASP CA . . A . 2 ASP C . . A . 3 VAL N . . A . 3 VAL CA . 1 . 2 ASP CA . . . 1 . 2 ASP C . . . 1 . 3 VAL N . . . 1 . 3 VAL CA . . c25209_2muf 1 3 . . 1 1 3 3 VAL CA C . . 1 1 3 3 VAL C C . . 1 1 4 4 ARG N N . . 1 1 4 4 ARG CA C . 178.0 180.0 . . . A . 3 VAL CA . . A . 3 VAL C . . A . 4 ARG N . . A . 4 ARG CA . 1 . 3 VAL CA . . . 1 . 3 VAL C . . . 1 . 4 ARG N . . . 1 . 4 ARG CA . . c25209_2muf 1 4 . . 1 1 4 4 ARG CA C . . 1 1 4 4 ARG C C . . 1 1 5 5 TYR N N . . 1 1 5 5 TYR CA C . 178.0 180.0 . . . A . 4 ARG CA . . A . 4 ARG C . . A . 5 TYR N . . A . 5 TYR CA . 1 . 4 ARG CA . . . 1 . 4 ARG C . . . 1 . 5 TYR N . . . 1 . 5 TYR CA . . c25209_2muf 1 5 . . 1 1 5 5 TYR CA C . . 1 1 5 5 TYR C C . . 1 1 6 6 ASN N N . . 1 1 6 6 ASN CA C . 178.0 180.0 . . . A . 5 TYR CA . . A . 5 TYR C . . A . 6 ASN N . . A . 6 ASN CA . 1 . 5 TYR CA . . . 1 . 5 TYR C . . . 1 . 6 ASN N . . . 1 . 6 ASN CA . . c25209_2muf 1 6 . . 1 1 6 6 ASN CA C . . 1 1 6 6 ASN C C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . 178.0 180.0 . . . A . 6 ASN CA . . A . 6 ASN C . . A . 7 LYS N . . A . 7 LYS CA . 1 . 6 ASN CA . . . 1 . 6 ASN C . . . 1 . 7 LYS N . . . 1 . 7 LYS CA . . c25209_2muf 1 7 . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . . 1 1 8 8 SER N N . . 1 1 8 8 SER CA C . 178.0 180.0 . . . A . 7 LYS CA . . A . 7 LYS C . . A . 8 SER N . . A . 8 SER CA . 1 . 7 LYS CA . . . 1 . 7 LYS C . . . 1 . 8 SER N . . . 1 . 8 SER CA . . c25209_2muf 1 8 . . 1 1 8 8 SER CA C . . 1 1 8 8 SER C C . . 1 1 9 9 PHE N N . . 1 1 9 9 PHE CA C . 178.0 180.0 . . . A . 8 SER CA . . A . 8 SER C . . A . 9 PHE N . . A . 9 PHE CA . 1 . 8 SER CA . . . 1 . 8 SER C . . . 1 . 9 PHE N . . . 1 . 9 PHE CA . . c25209_2muf 1 9 . . 1 1 9 9 PHE CA C . . 1 1 9 9 PHE C C . . 1 1 10 10 ILE N N . . 1 1 10 10 ILE CA C . 178.0 180.0 . . . A . 9 PHE CA . . A . 9 PHE C . . A . 10 ILE N . . A . 10 ILE CA . 1 . 9 PHE CA . . . 1 . 9 PHE C . . . 1 . 10 ILE N . . . 1 . 10 ILE CA . . c25209_2muf 1 10 . . 1 1 10 10 ILE CA C . . 1 1 10 10 ILE C C . . 1 1 11 11 ASN N N . . 1 1 11 11 ASN CA C . 178.0 180.0 . . . A . 10 ILE CA . . A . 10 ILE C . . A . 11 ASN N . . A . 11 ASN CA . 1 . 10 ILE CA . . . 1 . 10 ILE C . . . 1 . 11 ASN N . . . 1 . 11 ASN CA . . c25209_2muf 1 11 . . 1 1 11 11 ASN CA C . . 1 1 11 11 ASN C C . . 1 1 12 12 ASN N N . . 1 1 12 12 ASN CA C . 178.0 180.0 . . . A . 11 ASN CA . . A . 11 ASN C . . A . 12 ASN N . . A . 12 ASN CA . 1 . 11 ASN CA . . . 1 . 11 ASN C . . . 1 . 12 ASN N . . . 1 . 12 ASN CA . . c25209_2muf 1 12 . . 1 1 12 12 ASN CA C . . 1 1 12 12 ASN C C . . 1 1 13 13 ARG N N . . 1 1 13 13 ARG CA C . 178.0 180.0 . . . A . 12 ASN CA . . A . 12 ASN C . . A . 13 ARG N . . A . 13 ARG CA . 1 . 12 ASN CA . . . 1 . 12 ASN C . . . 1 . 13 ARG N . . . 1 . 13 ARG CA . . c25209_2muf 1 13 . . 1 1 13 13 ARG CA C . . 1 1 13 13 ARG C C . . 1 1 14 14 LEU N N . . 1 1 14 14 LEU CA C . 178.0 180.0 . . . A . 13 ARG CA . . A . 13 ARG C . . A . 14 LEU N . . A . 14 LEU CA . 1 . 13 ARG CA . . . 1 . 13 ARG C . . . 1 . 14 LEU N . . . 1 . 14 LEU CA . . c25209_2muf 1 14 . . 1 1 14 14 LEU CA C . . 1 1 14 14 LEU C C . . 1 1 15 15 LEU N N . . 1 1 15 15 LEU CA C . 178.0 180.0 . . . A . 14 LEU CA . . A . 14 LEU C . . A . 15 LEU N . . A . 15 LEU CA . 1 . 14 LEU CA . . . 1 . 14 LEU C . . . 1 . 15 LEU N . . . 1 . 15 LEU CA . . c25209_2muf 1 15 . . 1 1 15 15 LEU CA C . . 1 1 15 15 LEU C C . . 1 1 16 16 ASN N N . . 1 1 16 16 ASN CA C . 178.0 180.0 . . . A . 15 LEU CA . . A . 15 LEU C . . A . 16 ASN N . . A . 16 ASN CA . 1 . 15 LEU CA . . . 1 . 15 LEU C . . . 1 . 16 ASN N . . . 1 . 16 ASN CA . . c25209_2muf 1 16 . . 1 1 16 16 ASN CA C . . 1 1 16 16 ASN C C . . 1 1 17 17 GLU N N . . 1 1 17 17 GLU CA C . 178.0 180.0 . . . A . 16 ASN CA . . A . 16 ASN C . . A . 17 GLU N . . A . 17 GLU CA . 1 . 16 ASN CA . . . 1 . 16 ASN C . . . 1 . 17 GLU N . . . 1 . 17 GLU CA . . c25209_2muf 1 17 . . 1 1 17 17 GLU CA C . . 1 1 17 17 GLU C C . . 1 1 18 18 HIS N N . . 1 1 18 18 HIS CA C . 178.0 180.0 . . . A . 17 GLU CA . . A . 17 GLU C . . A . 18 HIS N . . A . 18 HIS CA . 1 . 17 GLU CA . . . 1 . 17 GLU C . . . 1 . 18 HIS N . . . 1 . 18 HIS CA . . c25209_2muf 1 18 . . 1 1 18 18 HIS CA C . . 1 1 18 18 HIS C C . . 1 1 19 19 ALA N N . . 1 1 19 19 ALA CA C . 178.0 180.0 . . . A . 18 HIS CA . . A . 18 HIS C . . A . 19 ALA N . . A . 19 ALA CA . 1 . 18 HIS CA . . . 1 . 18 HIS C . . . 1 . 19 ALA N . . . 1 . 19 ALA CA . . c25209_2muf 1 19 . . 1 1 19 19 ALA CA C . . 1 1 19 19 ALA C C . . 1 1 20 20 HIS N N . . 1 1 20 20 HIS CA C . 178.0 180.0 . . . A . 19 ALA CA . . A . 19 ALA C . . A . 20 HIS N . . A . 20 HIS CA . 1 . 19 ALA CA . . . 1 . 19 ALA C . . . 1 . 20 HIS N . . . 1 . 20 HIS CA . . c25209_2muf 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 3 1 4 13 c25209_2muf 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 4.000000E+02 2 1 2 12 c25209_2muf 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 c25209_2muf _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 IMMUNE SYSTEM 09-SEP-14 2MUF *TITLE BINDING ACTIVITY, STRUCTURE, AND IMMUNOGENICITY OF SYNTHETIC PEPTIDES *TITLE 2 DERIVED FROM PLASMODIUM FALCIPARUM CELTOS AND TRSP PROTEINS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TRSP; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 3-22; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; *SOURCE 4 ORGANISM_TAXID: 5833 *KEYWDS TRSP, VACCINE, IMMUNE SYSTEM *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR H.CURTIDOR, G.AREVALO-PINZON, A.BERMUDEZ, D.CALDERON, M.VANEGAS, *AUTHOR 2 L.PATINO, M.PATARROYO *REVDAT 1 23-SEP-15 2MUF 0' save_