data_c25202_2mu8 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25202_2mu8 _Entry.Title ; Distorting malaria peptide backbone structure to enable fitting into MHC class II molecules renders modified peptides immunogenic and protective. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-04 _Entry.Accession_date 2014-09-04 _Entry.Last_release_date 2014-11-10 _Entry.Original_release_date 2014-11-10 _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 'PEPTIDE BELONGING THE N-TERMINAL REGION DERIVED OF MEROZOITE SURFACE PROTEIN-2 OF PLASMODIUM FALCIPARUM' _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 Gladys Cifuentes . . . c25202_2mu8 2 Manuel Patarroyo . E. . c25202_2mu8 3 Mauricio Urquiza . . . c25202_2mu8 4 Luis Ramirez . E. . c25202_2mu8 5 Claudia Reyes . . . c25202_2mu8 6 Raul Rodriguez . . . c25202_2mu8 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' . c25202_2mu8 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Peptide . c25202_2mu8 MSP-2 . c25202_2mu8 NMR . c25202_2mu8 B-Turn . c25202_2mu8 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25202_2mu8 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 136 c25202_2mu8 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 . . 2014-11-10 2014-09-04 original author . c25202_2mu8 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MU8 'BMRB Entry Tracking System' c25202_2mu8 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25202_2mu8 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'RESIDUES BELONGING THE N-TERMINAL REGION DERIVED OF MEROZOITE SURFACE PROTEIN-2 OF PLASMODIUM FALCIPARUM' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 46 _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 2250 _Citation.Page_last 2253 _Citation.Year . _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 Gladys Cifuentes . . . c25202_2mu8 1 2 Manuel Patarroyo . E. . c25202_2mu8 1 3 Mauricio Urquiza . . . c25202_2mu8 1 4 Luis Ramirez . E. . c25202_2mu8 1 5 Claudia Reyes . . . c25202_2mu8 1 6 Raul Rodriguez . . . c25202_2mu8 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25202_2mu8 _Assembly.ID 1 _Assembly.Name 'PEPTIDE BELONGING THE N-TERMINAL REGION DERIVED OF MEROZOITE SURFACE PROTEIN-2 OF PLASMODIUM FALCIPARUM' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . c25202_2mu8 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c25202_2mu8 _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 KNESKYSNTFINNAYNMSIR _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 2397.662 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . LYS . c25202_2mu8 1 2 . ASN . c25202_2mu8 1 3 . GLU . c25202_2mu8 1 4 . SER . c25202_2mu8 1 5 . LYS . c25202_2mu8 1 6 . TYR . c25202_2mu8 1 7 . SER . c25202_2mu8 1 8 . ASN . c25202_2mu8 1 9 . THR . c25202_2mu8 1 10 . PHE . c25202_2mu8 1 11 . ILE . c25202_2mu8 1 12 . ASN . c25202_2mu8 1 13 . ASN . c25202_2mu8 1 14 . ALA . c25202_2mu8 1 15 . TYR . c25202_2mu8 1 16 . ASN . c25202_2mu8 1 17 . MET . c25202_2mu8 1 18 . SER . c25202_2mu8 1 19 . ILE . c25202_2mu8 1 20 . ARG . c25202_2mu8 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 c25202_2mu8 1 . ASN 2 2 c25202_2mu8 1 . GLU 3 3 c25202_2mu8 1 . SER 4 4 c25202_2mu8 1 . LYS 5 5 c25202_2mu8 1 . TYR 6 6 c25202_2mu8 1 . SER 7 7 c25202_2mu8 1 . ASN 8 8 c25202_2mu8 1 . THR 9 9 c25202_2mu8 1 . PHE 10 10 c25202_2mu8 1 . ILE 11 11 c25202_2mu8 1 . ASN 12 12 c25202_2mu8 1 . ASN 13 13 c25202_2mu8 1 . ALA 14 14 c25202_2mu8 1 . TYR 15 15 c25202_2mu8 1 . ASN 16 16 c25202_2mu8 1 . MET 17 17 c25202_2mu8 1 . SER 18 18 c25202_2mu8 1 . ILE 19 19 c25202_2mu8 1 . ARG 20 20 c25202_2mu8 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 c25202_2mu8 _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 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c25202_2mu8 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 c25202_2mu8 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Synthetic peptide of 20 residues length from MSP-2 protein of Plasmodium falciparum' . . c25202_2mu8 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25202_2mu8 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'trifluoroethanol/water (30/70 v/v)' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 8 . . mM . . . . c25202_2mu8 1 2 trifluoroethanol 'natural abundance' . . . . . . 30 . . % . . . . c25202_2mu8 1 3 water 'natural abundance' . . . . . . 70 . . % . . . . c25202_2mu8 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 c25202_2mu8 _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 c25202_2mu8 1 pH 3.7 . pH c25202_2mu8 1 pressure 1 . atm c25202_2mu8 1 stop_ save_ ############################ # Computer software used # ############################ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID c25202_2mu8 _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.' . . c25202_2mu8 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c25202_2mu8 1 processing c25202_2mu8 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 c25202_2mu8 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 c25202_2mu8 _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 . 500 . . . c25202_2mu8 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 c25202_2mu8 _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 . . . . . . . . . . . . . . . . c25202_2mu8 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25202_2mu8 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25202_2mu8 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 c25202_2mu8 _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 . . . . . . . . . c25202_2mu8 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . c25202_2mu8 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . c25202_2mu8 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . c25202_2mu8 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 c25202_2mu8 _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' . . . c25202_2mu8 1 3 '2D 1H-1H NOESY' . . . c25202_2mu8 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.160 0.02 . . . . . A 1 LYS HA . c25202_2mu8 1 2 . 1 1 1 1 LYS HB2 H 1 1.510 0.02 . . . . . A 1 LYS HB2 . c25202_2mu8 1 3 . 1 1 1 1 LYS HB3 H 1 1.610 0.02 . . . . . A 1 LYS HB3 . c25202_2mu8 1 4 . 1 1 1 1 LYS HG2 H 1 1.310 0.02 . . . . . A 1 LYS HG2 . c25202_2mu8 1 5 . 1 1 1 1 LYS HG3 H 1 1.310 0.02 . . . . . A 1 LYS HG3 . c25202_2mu8 1 6 . 1 1 1 1 LYS HD2 H 1 1.500 0.02 . . . . . A 1 LYS HD2 . c25202_2mu8 1 7 . 1 1 1 1 LYS HD3 H 1 1.500 0.02 . . . . . A 1 LYS HD3 . c25202_2mu8 1 8 . 1 1 1 1 LYS HE2 H 1 2.760 0.02 . . . . . A 1 LYS HE2 . c25202_2mu8 1 9 . 1 1 1 1 LYS HE3 H 1 2.760 0.02 . . . . . A 1 LYS HE3 . c25202_2mu8 1 10 . 1 1 2 2 ASN H H 1 8.310 0.02 . . . . . A 2 ASN H . c25202_2mu8 1 11 . 1 1 2 2 ASN HA H 1 4.470 0.02 . . . . . A 2 ASN HA . c25202_2mu8 1 12 . 1 1 2 2 ASN HB2 H 1 2.590 0.02 . . . . . A 2 ASN HB2 . c25202_2mu8 1 13 . 1 1 2 2 ASN HB3 H 1 2.490 0.02 . . . . . A 2 ASN HB3 . c25202_2mu8 1 14 . 1 1 2 2 ASN HD21 H 1 7.030 0.02 . . . . . A 2 ASN HD21 . c25202_2mu8 1 15 . 1 1 2 2 ASN HD22 H 1 7.490 0.02 . . . . . A 2 ASN HD22 . c25202_2mu8 1 16 . 1 1 3 3 GLU H H 1 7.860 0.02 . . . . . A 3 GLU H . c25202_2mu8 1 17 . 1 1 3 3 GLU HA H 1 4.270 0.02 . . . . . A 3 GLU HA . c25202_2mu8 1 18 . 1 1 3 3 GLU HB2 H 1 1.720 0.02 . . . . . A 3 GLU HB2 . c25202_2mu8 1 19 . 1 1 3 3 GLU HB3 H 1 1.930 0.02 . . . . . A 3 GLU HB3 . c25202_2mu8 1 20 . 1 1 3 3 GLU HG2 H 1 2.240 0.02 . . . . . A 3 GLU HG2 . c25202_2mu8 1 21 . 1 1 3 3 GLU HG3 H 1 2.240 0.02 . . . . . A 3 GLU HG3 . c25202_2mu8 1 22 . 1 1 4 4 SER H H 1 7.940 0.02 . . . . . A 4 SER H . c25202_2mu8 1 23 . 1 1 4 4 SER HA H 1 4.300 0.02 . . . . . A 4 SER HA . c25202_2mu8 1 24 . 1 1 4 4 SER HB2 H 1 3.600 0.02 . . . . . A 4 SER HB2 . c25202_2mu8 1 25 . 1 1 4 4 SER HB3 H 1 3.600 0.02 . . . . . A 4 SER HB3 . c25202_2mu8 1 26 . 1 1 5 5 LYS H H 1 8.040 0.02 . . . . . A 5 LYS H . c25202_2mu8 1 27 . 1 1 5 5 LYS HA H 1 4.160 0.02 . . . . . A 5 LYS HA . c25202_2mu8 1 28 . 1 1 5 5 LYS HB2 H 1 1.450 0.02 . . . . . A 5 LYS HB2 . c25202_2mu8 1 29 . 1 1 5 5 LYS HB3 H 1 1.590 0.02 . . . . . A 5 LYS HB3 . c25202_2mu8 1 30 . 1 1 5 5 LYS HG2 H 1 1.220 0.02 . . . . . A 5 LYS HG2 . c25202_2mu8 1 31 . 1 1 5 5 LYS HG3 H 1 1.220 0.02 . . . . . A 5 LYS HG3 . c25202_2mu8 1 32 . 1 1 5 5 LYS HD2 H 1 1.460 0.02 . . . . . A 5 LYS HD2 . c25202_2mu8 1 33 . 1 1 5 5 LYS HD3 H 1 1.460 0.02 . . . . . A 5 LYS HD3 . c25202_2mu8 1 34 . 1 1 5 5 LYS HE2 H 1 2.730 0.02 . . . . . A 5 LYS HE2 . c25202_2mu8 1 35 . 1 1 5 5 LYS HE3 H 1 2.730 0.02 . . . . . A 5 LYS HE3 . c25202_2mu8 1 36 . 1 1 6 6 TYR H H 1 7.890 0.02 . . . . . A 6 TYR H . c25202_2mu8 1 37 . 1 1 6 6 TYR HA H 1 4.470 0.02 . . . . . A 6 TYR HA . c25202_2mu8 1 38 . 1 1 6 6 TYR HB2 H 1 2.640 0.02 . . . . . A 6 TYR HB2 . c25202_2mu8 1 39 . 1 1 6 6 TYR HB3 H 1 2.640 0.02 . . . . . A 6 TYR HB3 . c25202_2mu8 1 40 . 1 1 6 6 TYR HD1 H 1 6.640 0.02 . . . . . A 6 TYR HD1 . c25202_2mu8 1 41 . 1 1 6 6 TYR HD2 H 1 6.640 0.02 . . . . . A 6 TYR HD2 . c25202_2mu8 1 42 . 1 1 6 6 TYR HE1 H 1 7.060 0.02 . . . . . A 6 TYR HE1 . c25202_2mu8 1 43 . 1 1 6 6 TYR HE2 H 1 7.060 0.02 . . . . . A 6 TYR HE2 . c25202_2mu8 1 44 . 1 1 7 7 SER H H 1 8.090 0.02 . . . . . A 7 SER H . c25202_2mu8 1 45 . 1 1 7 7 SER HA H 1 4.300 0.02 . . . . . A 7 SER HA . c25202_2mu8 1 46 . 1 1 7 7 SER HB2 H 1 3.580 0.02 . . . . . A 7 SER HB2 . c25202_2mu8 1 47 . 1 1 7 7 SER HB3 H 1 3.580 0.02 . . . . . A 7 SER HB3 . c25202_2mu8 1 48 . 1 1 8 8 ASN H H 1 8.230 0.02 . . . . . A 8 ASN H . c25202_2mu8 1 49 . 1 1 8 8 ASN HA H 1 4.620 0.02 . . . . . A 8 ASN HA . c25202_2mu8 1 50 . 1 1 8 8 ASN HB2 H 1 2.580 0.02 . . . . . A 8 ASN HB2 . c25202_2mu8 1 51 . 1 1 8 8 ASN HB3 H 1 2.450 0.02 . . . . . A 8 ASN HB3 . c25202_2mu8 1 52 . 1 1 8 8 ASN HD21 H 1 7.030 0.02 . . . . . A 8 ASN HD21 . c25202_2mu8 1 53 . 1 1 8 8 ASN HD22 H 1 7.480 0.02 . . . . . A 8 ASN HD22 . c25202_2mu8 1 54 . 1 1 9 9 THR H H 1 7.710 0.02 . . . . . A 9 THR H . c25202_2mu8 1 55 . 1 1 9 9 THR HA H 1 4.170 0.02 . . . . . A 9 THR HA . c25202_2mu8 1 56 . 1 1 9 9 THR HB H 1 3.930 0.02 . . . . . A 9 THR HB . c25202_2mu8 1 57 . 1 1 9 9 THR HG21 H 1 0.970 0.02 . . . . . A 9 THR HG21 . c25202_2mu8 1 58 . 1 1 9 9 THR HG22 H 1 0.970 0.02 . . . . . A 9 THR HG22 . c25202_2mu8 1 59 . 1 1 9 9 THR HG23 H 1 0.970 0.02 . . . . . A 9 THR HG23 . c25202_2mu8 1 60 . 1 1 10 10 PHE H H 1 8.010 0.02 . . . . . A 10 PHE H . c25202_2mu8 1 61 . 1 1 10 10 PHE HA H 1 4.530 0.02 . . . . . A 10 PHE HA . c25202_2mu8 1 62 . 1 1 10 10 PHE HB2 H 1 2.860 0.02 . . . . . A 10 PHE HB2 . c25202_2mu8 1 63 . 1 1 10 10 PHE HB3 H 1 3.040 0.02 . . . . . A 10 PHE HB3 . c25202_2mu8 1 64 . 1 1 10 10 PHE HD1 H 1 7.220 0.02 . . . . . A 10 PHE HD1 . c25202_2mu8 1 65 . 1 1 10 10 PHE HD2 H 1 7.220 0.02 . . . . . A 10 PHE HD2 . c25202_2mu8 1 66 . 1 1 11 11 ILE H H 1 7.920 0.02 . . . . . A 11 ILE H . c25202_2mu8 1 67 . 1 1 11 11 ILE HA H 1 4.150 0.02 . . . . . A 11 ILE HA . c25202_2mu8 1 68 . 1 1 11 11 ILE HB H 1 1.700 0.02 . . . . . A 11 ILE HB . c25202_2mu8 1 69 . 1 1 11 11 ILE HG12 H 1 1.050 0.02 . . . . . A 11 ILE HG12 . c25202_2mu8 1 70 . 1 1 11 11 ILE HG13 H 1 1.410 0.02 . . . . . A 11 ILE HG13 . c25202_2mu8 1 71 . 1 1 11 11 ILE HG21 H 1 0.800 0.02 . . . . . A 11 ILE HG21 . c25202_2mu8 1 72 . 1 1 11 11 ILE HG22 H 1 0.800 0.02 . . . . . A 11 ILE HG22 . c25202_2mu8 1 73 . 1 1 11 11 ILE HG23 H 1 0.800 0.02 . . . . . A 11 ILE HG23 . c25202_2mu8 1 74 . 1 1 11 11 ILE HD11 H 1 0.790 0.02 . . . . . A 11 ILE HD11 . c25202_2mu8 1 75 . 1 1 11 11 ILE HD12 H 1 0.790 0.02 . . . . . A 11 ILE HD12 . c25202_2mu8 1 76 . 1 1 11 11 ILE HD13 H 1 0.790 0.02 . . . . . A 11 ILE HD13 . c25202_2mu8 1 77 . 1 1 12 12 ASN H H 1 8.220 0.02 . . . . . A 12 ASN H . c25202_2mu8 1 78 . 1 1 12 12 ASN HA H 1 4.550 0.02 . . . . . A 12 ASN HA . c25202_2mu8 1 79 . 1 1 12 12 ASN HB2 H 1 2.450 0.02 . . . . . A 12 ASN HB2 . c25202_2mu8 1 80 . 1 1 12 12 ASN HB3 H 1 2.590 0.02 . . . . . A 12 ASN HB3 . c25202_2mu8 1 81 . 1 1 12 12 ASN HD21 H 1 7.030 0.02 . . . . . A 12 ASN HD21 . c25202_2mu8 1 82 . 1 1 12 12 ASN HD22 H 1 7.510 0.02 . . . . . A 12 ASN HD22 . c25202_2mu8 1 83 . 1 1 13 13 ASN H H 1 8.120 0.02 . . . . . A 13 ASN H . c25202_2mu8 1 84 . 1 1 13 13 ASN HA H 1 4.520 0.02 . . . . . A 13 ASN HA . c25202_2mu8 1 85 . 1 1 13 13 ASN HB2 H 1 2.470 0.02 . . . . . A 13 ASN HB2 . c25202_2mu8 1 86 . 1 1 13 13 ASN HB3 H 1 2.560 0.02 . . . . . A 13 ASN HB3 . c25202_2mu8 1 87 . 1 1 13 13 ASN HD21 H 1 7.480 0.02 . . . . . A 13 ASN HD21 . c25202_2mu8 1 88 . 1 1 13 13 ASN HD22 H 1 7.030 0.02 . . . . . A 13 ASN HD22 . c25202_2mu8 1 89 . 1 1 14 14 ALA H H 1 8.120 0.02 . . . . . A 14 ALA H . c25202_2mu8 1 90 . 1 1 14 14 ALA HA H 1 4.070 0.02 . . . . . A 14 ALA HA . c25202_2mu8 1 91 . 1 1 14 14 ALA HB1 H 1 1.130 0.02 . . . . . A 14 ALA HB1 . c25202_2mu8 1 92 . 1 1 14 14 ALA HB2 H 1 1.130 0.02 . . . . . A 14 ALA HB2 . c25202_2mu8 1 93 . 1 1 14 14 ALA HB3 H 1 1.130 0.02 . . . . . A 14 ALA HB3 . c25202_2mu8 1 94 . 1 1 15 15 TYR H H 1 7.900 0.02 . . . . . A 15 TYR H . c25202_2mu8 1 95 . 1 1 15 15 TYR HA H 1 4.280 0.02 . . . . . A 15 TYR HA . c25202_2mu8 1 96 . 1 1 15 15 TYR HB2 H 1 2.940 0.02 . . . . . A 15 TYR HB2 . c25202_2mu8 1 97 . 1 1 15 15 TYR HB3 H 1 2.720 0.02 . . . . . A 15 TYR HB3 . c25202_2mu8 1 98 . 1 1 15 15 TYR HD1 H 1 6.640 0.02 . . . . . A 15 TYR HD1 . c25202_2mu8 1 99 . 1 1 15 15 TYR HD2 H 1 6.640 0.02 . . . . . A 15 TYR HD2 . c25202_2mu8 1 100 . 1 1 15 15 TYR HE1 H 1 7.030 0.02 . . . . . A 15 TYR HE1 . c25202_2mu8 1 101 . 1 1 15 15 TYR HE2 H 1 7.030 0.02 . . . . . A 15 TYR HE2 . c25202_2mu8 1 102 . 1 1 16 16 ASN H H 1 8.010 0.02 . . . . . A 16 ASN H . c25202_2mu8 1 103 . 1 1 16 16 ASN HA H 1 4.530 0.02 . . . . . A 16 ASN HA . c25202_2mu8 1 104 . 1 1 16 16 ASN HB2 H 1 2.450 0.02 . . . . . A 16 ASN HB2 . c25202_2mu8 1 105 . 1 1 16 16 ASN HB3 H 1 2.650 0.02 . . . . . A 16 ASN HB3 . c25202_2mu8 1 106 . 1 1 16 16 ASN HD21 H 1 7.060 0.02 . . . . . A 16 ASN HD21 . c25202_2mu8 1 107 . 1 1 16 16 ASN HD22 H 1 7.530 0.02 . . . . . A 16 ASN HD22 . c25202_2mu8 1 108 . 1 1 17 17 MET H H 1 7.910 0.02 . . . . . A 17 MET H . c25202_2mu8 1 109 . 1 1 17 17 MET HA H 1 4.350 0.02 . . . . . A 17 MET HA . c25202_2mu8 1 110 . 1 1 17 17 MET HB2 H 1 1.960 0.02 . . . . . A 17 MET HB2 . c25202_2mu8 1 111 . 1 1 17 17 MET HB3 H 1 1.810 0.02 . . . . . A 17 MET HB3 . c25202_2mu8 1 112 . 1 1 17 17 MET HG2 H 1 2.490 0.02 . . . . . A 17 MET HG2 . c25202_2mu8 1 113 . 1 1 17 17 MET HG3 H 1 2.410 0.02 . . . . . A 17 MET HG3 . c25202_2mu8 1 114 . 1 1 18 18 SER H H 1 8.070 0.02 . . . . . A 18 SER H . c25202_2mu8 1 115 . 1 1 18 18 SER HA H 1 4.330 0.02 . . . . . A 18 SER HA . c25202_2mu8 1 116 . 1 1 18 18 SER HB2 H 1 3.620 0.02 . . . . . A 18 SER HB2 . c25202_2mu8 1 117 . 1 1 18 18 SER HB3 H 1 3.620 0.02 . . . . . A 18 SER HB3 . c25202_2mu8 1 118 . 1 1 19 19 ILE H H 1 7.740 0.02 . . . . . A 19 ILE H . c25202_2mu8 1 119 . 1 1 19 19 ILE HA H 1 4.160 0.02 . . . . . A 19 ILE HA . c25202_2mu8 1 120 . 1 1 19 19 ILE HB H 1 1.770 0.02 . . . . . A 19 ILE HB . c25202_2mu8 1 121 . 1 1 19 19 ILE HG12 H 1 1.110 0.02 . . . . . A 19 ILE HG12 . c25202_2mu8 1 122 . 1 1 19 19 ILE HG13 H 1 1.390 0.02 . . . . . A 19 ILE HG13 . c25202_2mu8 1 123 . 1 1 19 19 ILE HG21 H 1 0.830 0.02 . . . . . A 19 ILE HG21 . c25202_2mu8 1 124 . 1 1 19 19 ILE HG22 H 1 0.830 0.02 . . . . . A 19 ILE HG22 . c25202_2mu8 1 125 . 1 1 19 19 ILE HG23 H 1 0.830 0.02 . . . . . A 19 ILE HG23 . c25202_2mu8 1 126 . 1 1 19 19 ILE HD11 H 1 0.820 0.02 . . . . . A 19 ILE HD11 . c25202_2mu8 1 127 . 1 1 19 19 ILE HD12 H 1 0.820 0.02 . . . . . A 19 ILE HD12 . c25202_2mu8 1 128 . 1 1 19 19 ILE HD13 H 1 0.820 0.02 . . . . . A 19 ILE HD13 . c25202_2mu8 1 129 . 1 1 20 20 ARG H H 1 7.880 0.02 . . . . . A 20 ARG H . c25202_2mu8 1 130 . 1 1 20 20 ARG HA H 1 4.100 0.02 . . . . . A 20 ARG HA . c25202_2mu8 1 131 . 1 1 20 20 ARG HB2 H 1 1.510 0.02 . . . . . A 20 ARG HB2 . c25202_2mu8 1 132 . 1 1 20 20 ARG HB3 H 1 1.700 0.02 . . . . . A 20 ARG HB3 . c25202_2mu8 1 133 . 1 1 20 20 ARG HG2 H 1 1.440 0.02 . . . . . A 20 ARG HG2 . c25202_2mu8 1 134 . 1 1 20 20 ARG HG3 H 1 1.440 0.02 . . . . . A 20 ARG HG3 . c25202_2mu8 1 135 . 1 1 20 20 ARG HD2 H 1 3.080 0.02 . . . . . A 20 ARG HD2 . c25202_2mu8 1 136 . 1 1 20 20 ARG HD3 H 1 3.080 0.02 . . . . . A 20 ARG HD3 . c25202_2mu8 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 c25202_2mu8 _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 c25202_2mu8 _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 . . . c25202_2mu8 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 . . . . c25202_2mu8 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 LYS C C -11.352 -1.218 -11.303 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c25202_2mu8 1 . 1 . 2 . 1 1 1 LYS CA C -12.897 -1.275 -11.490 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c25202_2mu8 1 . 1 . 3 . 1 1 1 LYS CB C -13.366 -1.037 -12.955 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c25202_2mu8 1 . 1 . 4 . 1 1 1 LYS CD C -13.682 0.471 -15.024 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c25202_2mu8 1 . 1 . 5 . 1 1 1 LYS CE C -13.507 1.856 -15.678 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c25202_2mu8 1 . 1 . 6 . 1 1 1 LYS CG C -13.122 0.355 -13.590 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c25202_2mu8 1 . 1 . 7 . 1 1 1 LYS H1 H -13.840 0.613 -10.831 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c25202_2mu8 1 . 1 . 8 . 1 1 1 LYS HA H -13.251 -2.301 -11.256 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c25202_2mu8 1 . 1 . 9 . 1 1 1 LYS HB2 H -12.893 -1.804 -13.599 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 10 . 1 1 1 LYS HB3 H -14.449 -1.260 -13.009 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 11 . 1 1 1 LYS HD2 H -13.235 -0.309 -15.671 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c25202_2mu8 1 . 1 . 12 . 1 1 1 LYS HD3 H -14.764 0.239 -15.001 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c25202_2mu8 1 . 1 . 13 . 1 1 1 LYS HE2 H -14.112 1.900 -16.603 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c25202_2mu8 1 . 1 . 14 . 1 1 1 LYS HE3 H -13.910 2.648 -15.021 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c25202_2mu8 1 . 1 . 15 . 1 1 1 LYS HG2 H -13.580 1.138 -12.956 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c25202_2mu8 1 . 1 . 16 . 1 1 1 LYS HG3 H -12.039 0.575 -13.604 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c25202_2mu8 1 . 1 . 17 . 1 1 1 LYS HZ2 H -11.746 1.477 -16.690 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c25202_2mu8 1 . 1 . 18 . 1 1 1 LYS HZ3 H -12.056 3.072 -16.507 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c25202_2mu8 1 . 1 . 19 . 1 1 1 LYS N N -13.567 -0.335 -10.549 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c25202_2mu8 1 . 1 . 20 . 1 1 1 LYS NZ N -12.106 2.168 -16.023 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c25202_2mu8 1 . 1 . 21 . 1 1 1 LYS O O -10.721 -0.190 -11.569 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c25202_2mu8 1 . 1 . 22 . 1 1 2 ASN C C -8.749 -1.398 -9.588 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25202_2mu8 1 . 1 . 23 . 1 1 2 ASN CA C -9.302 -2.491 -10.561 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25202_2mu8 1 . 1 . 24 . 1 1 2 ASN CB C -8.534 -2.658 -11.904 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25202_2mu8 1 . 1 . 25 . 1 1 2 ASN CG C -7.059 -3.085 -11.769 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25202_2mu8 1 . 1 . 26 . 1 1 2 ASN H H -11.393 -3.138 -10.737 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25202_2mu8 1 . 1 . 27 . 1 1 2 ASN HA H -9.200 -3.464 -10.041 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25202_2mu8 1 . 1 . 28 . 1 1 2 ASN HB2 H -9.037 -3.433 -12.516 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 29 . 1 1 2 ASN HB3 H -8.638 -1.732 -12.499 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 30 . 1 1 2 ASN HD21 H -6.446 -1.228 -12.215 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25202_2mu8 1 . 1 . 31 . 1 1 2 ASN HD22 H -5.149 -2.481 -11.877 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25202_2mu8 1 . 1 . 32 . 1 1 2 ASN N N -10.765 -2.335 -10.818 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25202_2mu8 1 . 1 . 33 . 1 1 2 ASN ND2 N -6.122 -2.173 -11.981 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25202_2mu8 1 . 1 . 34 . 1 1 2 ASN O O -8.106 -0.433 -10.015 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25202_2mu8 1 . 1 . 35 . 1 1 2 ASN OD1 O -6.753 -4.240 -11.474 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25202_2mu8 1 . 1 . 36 . 1 1 3 GLU C C -7.225 -1.104 -6.627 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c25202_2mu8 1 . 1 . 37 . 1 1 3 GLU CA C -8.580 -0.636 -7.224 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c25202_2mu8 1 . 1 . 38 . 1 1 3 GLU CB C -9.688 -0.559 -6.142 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c25202_2mu8 1 . 1 . 39 . 1 1 3 GLU CD C -12.051 0.196 -5.486 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c25202_2mu8 1 . 1 . 40 . 1 1 3 GLU CG C -10.993 0.141 -6.590 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c25202_2mu8 1 . 1 . 41 . 1 1 3 GLU H H -9.634 -2.353 -8.041 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c25202_2mu8 1 . 1 . 42 . 1 1 3 GLU HA H -8.479 0.388 -7.642 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c25202_2mu8 1 . 1 . 43 . 1 1 3 GLU HB2 H -9.915 -1.562 -5.728 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 44 . 1 1 3 GLU HB3 H -9.274 -0.002 -5.293 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 45 . 1 1 3 GLU HE2 H -12.633 -1.522 -6.191 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HE2 . . . . . . . . . c25202_2mu8 1 . 1 . 46 . 1 1 3 GLU HG2 H -10.770 1.171 -6.926 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c25202_2mu8 1 . 1 . 47 . 1 1 3 GLU HG3 H -11.417 -0.369 -7.474 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c25202_2mu8 1 . 1 . 48 . 1 1 3 GLU N N -9.019 -1.572 -8.281 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c25202_2mu8 1 . 1 . 49 . 1 1 3 GLU O O -7.125 -2.192 -6.049 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c25202_2mu8 1 . 1 . 50 . 1 1 3 GLU OE1 O -12.151 1.129 -4.690 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c25202_2mu8 1 . 1 . 51 . 1 1 3 GLU OE2 O -12.867 -0.906 -5.494 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c25202_2mu8 1 . 1 . 52 . 1 1 4 SER C C -4.731 -0.044 -4.770 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c25202_2mu8 1 . 1 . 53 . 1 1 4 SER CA C -4.832 -0.527 -6.242 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c25202_2mu8 1 . 1 . 54 . 1 1 4 SER CB C -3.771 0.163 -7.128 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c25202_2mu8 1 . 1 . 55 . 1 1 4 SER H H -6.427 0.627 -7.246 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c25202_2mu8 1 . 1 . 56 . 1 1 4 SER HA H -4.629 -1.616 -6.305 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c25202_2mu8 1 . 1 . 57 . 1 1 4 SER HB2 H -3.950 1.252 -7.205 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 58 . 1 1 4 SER HB3 H -2.765 0.052 -6.683 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 59 . 1 1 4 SER HG H -3.540 -1.338 -8.309 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c25202_2mu8 1 . 1 . 60 . 1 1 4 SER N N -6.194 -0.253 -6.772 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c25202_2mu8 1 . 1 . 61 . 1 1 4 SER O O -4.964 1.132 -4.469 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c25202_2mu8 1 . 1 . 62 . 1 1 4 SER OG O -3.744 -0.409 -8.432 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c25202_2mu8 1 . 1 . 63 . 1 1 5 LYS C C -2.789 -1.185 -2.105 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c25202_2mu8 1 . 1 . 64 . 1 1 5 LYS CA C -4.234 -0.722 -2.430 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c25202_2mu8 1 . 1 . 65 . 1 1 5 LYS CB C -5.277 -1.527 -1.635 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c25202_2mu8 1 . 1 . 66 . 1 1 5 LYS CD C -7.065 0.376 -1.210 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c25202_2mu8 1 . 1 . 67 . 1 1 5 LYS CE C -6.782 0.623 0.285 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c25202_2mu8 1 . 1 . 68 . 1 1 5 LYS CG C -6.753 -1.056 -1.697 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c25202_2mu8 1 . 1 . 69 . 1 1 5 LYS H H -4.005 -1.857 -4.178 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c25202_2mu8 1 . 1 . 70 . 1 1 5 LYS HA H -4.362 0.353 -2.183 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c25202_2mu8 1 . 1 . 71 . 1 1 5 LYS HB2 H -5.242 -2.598 -1.919 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 72 . 1 1 5 LYS HB3 H -4.916 -1.499 -0.606 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 73 . 1 1 5 LYS HD2 H -6.513 1.107 -1.830 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c25202_2mu8 1 . 1 . 74 . 1 1 5 LYS HD3 H -8.134 0.578 -1.415 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c25202_2mu8 1 . 1 . 75 . 1 1 5 LYS HE2 H -7.349 -0.094 0.908 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c25202_2mu8 1 . 1 . 76 . 1 1 5 LYS HE3 H -5.714 0.455 0.512 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c25202_2mu8 1 . 1 . 77 . 1 1 5 LYS HG2 H -7.111 -1.156 -2.738 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c25202_2mu8 1 . 1 . 78 . 1 1 5 LYS HG3 H -7.373 -1.770 -1.121 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c25202_2mu8 1 . 1 . 79 . 1 1 5 LYS HZ2 H -6.900 2.150 1.668 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c25202_2mu8 1 . 1 . 80 . 1 1 5 LYS HZ3 H -6.583 2.673 0.152 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c25202_2mu8 1 . 1 . 81 . 1 1 5 LYS N N -4.400 -0.979 -3.862 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c25202_2mu8 1 . 1 . 82 . 1 1 5 LYS NZ N -7.142 1.996 0.683 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c25202_2mu8 1 . 1 . 83 . 1 1 5 LYS O O -2.489 -2.371 -1.917 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c25202_2mu8 1 . 1 . 84 . 1 1 6 TYR C C -0.019 0.875 -0.918 . . . 1.0 . . . . . . . . . . . . A . 6 TYR C . . . . . . . . . c25202_2mu8 1 . 1 . 85 . 1 1 6 TYR CA C -0.471 -0.343 -1.770 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CA . . . . . . . . . c25202_2mu8 1 . 1 . 86 . 1 1 6 TYR CB C 0.414 -0.542 -3.042 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CB . . . . . . . . . c25202_2mu8 1 . 1 . 87 . 1 1 6 TYR CD1 C 0.730 -3.039 -3.489 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CD1 . . . . . . . . . c25202_2mu8 1 . 1 . 88 . 1 1 6 TYR CD2 C -0.683 -1.774 -4.985 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CD2 . . . . . . . . . c25202_2mu8 1 . 1 . 89 . 1 1 6 TYR CE1 C 0.469 -4.195 -4.222 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CE1 . . . . . . . . . c25202_2mu8 1 . 1 . 90 . 1 1 6 TYR CE2 C -0.947 -2.931 -5.714 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CE2 . . . . . . . . . c25202_2mu8 1 . 1 . 91 . 1 1 6 TYR CG C 0.153 -1.820 -3.863 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CG . . . . . . . . . c25202_2mu8 1 . 1 . 92 . 1 1 6 TYR CZ C -0.369 -4.141 -5.334 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CZ . . . . . . . . . c25202_2mu8 1 . 1 . 93 . 1 1 6 TYR H H -2.432 0.694 -2.048 . . . 1.0 . . . . . . . . . . . . A . 6 TYR H . . . . . . . . . c25202_2mu8 1 . 1 . 94 . 1 1 6 TYR HA H -0.335 -1.239 -1.132 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HA . . . . . . . . . c25202_2mu8 1 . 1 . 95 . 1 1 6 TYR HB2 H 0.328 0.348 -3.695 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 96 . 1 1 6 TYR HB3 H 1.478 -0.541 -2.737 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 97 . 1 1 6 TYR HD1 H 1.381 -3.097 -2.629 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HD1 . . . . . . . . . c25202_2mu8 1 . 1 . 98 . 1 1 6 TYR HD2 H -1.144 -0.844 -5.285 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HD2 . . . . . . . . . c25202_2mu8 1 . 1 . 99 . 1 1 6 TYR HE1 H 0.919 -5.131 -3.926 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HE1 . . . . . . . . . c25202_2mu8 1 . 1 . 100 . 1 1 6 TYR HE2 H -1.599 -2.885 -6.574 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HE2 . . . . . . . . . c25202_2mu8 1 . 1 . 101 . 1 1 6 TYR HH H -0.140 -6.011 -5.670 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HH . . . . . . . . . c25202_2mu8 1 . 1 . 102 . 1 1 6 TYR N N -1.914 -0.183 -2.091 . . . 1.0 . . . . . . . . . . . . A . 6 TYR N . . . . . . . . . c25202_2mu8 1 . 1 . 103 . 1 1 6 TYR O O 0.691 1.774 -1.387 . . . 1.0 . . . . . . . . . . . . A . 6 TYR O . . . . . . . . . c25202_2mu8 1 . 1 . 104 . 1 1 6 TYR OH O -0.624 -5.279 -6.057 . . . 1.0 . . . . . . . . . . . . A . 6 TYR OH . . . . . . . . . c25202_2mu8 1 . 1 . 105 . 1 1 7 SER C C -0.319 3.395 0.872 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c25202_2mu8 1 . 1 . 106 . 1 1 7 SER CA C -0.165 1.932 1.371 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c25202_2mu8 1 . 1 . 107 . 1 1 7 SER CB C 1.197 1.625 2.046 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c25202_2mu8 1 . 1 . 108 . 1 1 7 SER H H -1.446 0.505 0.340 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c25202_2mu8 1 . 1 . 109 . 1 1 7 SER HA H -0.919 1.809 2.172 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c25202_2mu8 1 . 1 . 110 . 1 1 7 SER HB2 H 1.356 2.303 2.904 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 111 . 1 1 7 SER HB3 H 1.203 0.606 2.475 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 112 . 1 1 7 SER HG H 3.084 1.574 1.663 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c25202_2mu8 1 . 1 . 113 . 1 1 7 SER N N -0.495 0.893 0.349 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c25202_2mu8 1 . 1 . 114 . 1 1 7 SER O O 0.637 4.172 0.861 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c25202_2mu8 1 . 1 . 115 . 1 1 7 SER OG O 2.295 1.758 1.147 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c25202_2mu8 1 . 1 . 116 . 1 1 8 ASN C C -0.968 5.687 -1.154 . . . 1.0 . . . . . . . . . . . . A . 8 ASN C . . . . . . . . . c25202_2mu8 1 . 1 . 117 . 1 1 8 ASN CA C -1.929 5.064 -0.113 . . . 1.0 . . . . . . . . . . . . A . 8 ASN CA . . . . . . . . . c25202_2mu8 1 . 1 . 118 . 1 1 8 ASN CB C -2.366 5.908 1.104 . . . 1.0 . . . . . . . . . . . . A . 8 ASN CB . . . . . . . . . c25202_2mu8 1 . 1 . 119 . 1 1 8 ASN CG C -3.337 7.054 0.787 . . . 1.0 . . . . . . . . . . . . A . 8 ASN CG . . . . . . . . . c25202_2mu8 1 . 1 . 120 . 1 1 8 ASN H H -2.253 3.012 0.423 . . . 1.0 . . . . . . . . . . . . A . 8 ASN H . . . . . . . . . c25202_2mu8 1 . 1 . 121 . 1 1 8 ASN HA H -2.825 4.883 -0.741 . . . 1.0 . . . . . . . . . . . . A . 8 ASN HA . . . . . . . . . c25202_2mu8 1 . 1 . 122 . 1 1 8 ASN HB2 H -2.864 5.225 1.827 . . . 1.0 . . . . . . . . . . . . A . 8 ASN HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 123 . 1 1 8 ASN HB3 H -1.474 6.282 1.634 . . . 1.0 . . . . . . . . . . . . A . 8 ASN HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 124 . 1 1 8 ASN HD21 H -4.694 5.672 0.385 . . . 1.0 . . . . . . . . . . . . A . 8 ASN HD21 . . . . . . . . . c25202_2mu8 1 . 1 . 125 . 1 1 8 ASN HD22 H -5.230 7.433 0.206 . . . 1.0 . . . . . . . . . . . . A . 8 ASN HD22 . . . . . . . . . c25202_2mu8 1 . 1 . 126 . 1 1 8 ASN N N -1.543 3.734 0.420 . . . 1.0 . . . . . . . . . . . . A . 8 ASN N . . . . . . . . . c25202_2mu8 1 . 1 . 127 . 1 1 8 ASN ND2 N -4.571 6.692 0.470 . . . 1.0 . . . . . . . . . . . . A . 8 ASN ND2 . . . . . . . . . c25202_2mu8 1 . 1 . 128 . 1 1 8 ASN O O -0.599 6.864 -1.126 . . . 1.0 . . . . . . . . . . . . A . 8 ASN O . . . . . . . . . c25202_2mu8 1 . 1 . 129 . 1 1 8 ASN OD1 O -2.994 8.235 0.823 . . . 1.0 . . . . . . . . . . . . A . 8 ASN OD1 . . . . . . . . . c25202_2mu8 1 . 1 . 130 . 1 1 9 THR C C 1.677 5.512 -2.910 . . . 1.0 . . . . . . . . . . . . A . 9 THR C . . . . . . . . . c25202_2mu8 1 . 1 . 131 . 1 1 9 THR CA C 0.223 5.053 -3.274 . . . 1.0 . . . . . . . . . . . . A . 9 THR CA . . . . . . . . . c25202_2mu8 1 . 1 . 132 . 1 1 9 THR CB C -0.622 5.902 -4.273 . . . 1.0 . . . . . . . . . . . . A . 9 THR CB . . . . . . . . . c25202_2mu8 1 . 1 . 133 . 1 1 9 THR CG2 C 0.025 6.168 -5.627 . . . 1.0 . . . . . . . . . . . . A . 9 THR CG2 . . . . . . . . . c25202_2mu8 1 . 1 . 134 . 1 1 9 THR H H -0.860 3.835 -1.781 . . . 1.0 . . . . . . . . . . . . A . 9 THR H . . . . . . . . . c25202_2mu8 1 . 1 . 135 . 1 1 9 THR HA H 0.375 4.063 -3.739 . . . 1.0 . . . . . . . . . . . . A . 9 THR HA . . . . . . . . . c25202_2mu8 1 . 1 . 136 . 1 1 9 THR HB H -0.852 6.862 -3.783 . . . 1.0 . . . . . . . . . . . . A . 9 THR HB . . . . . . . . . c25202_2mu8 1 . 1 . 137 . 1 1 9 THR HG1 H -1.638 4.435 -5.004 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG1 . . . . . . . . . c25202_2mu8 1 . 1 . 138 . 1 1 9 THR HG21 H 0.288 5.217 -6.123 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG21 . . . . . . . . . c25202_2mu8 1 . 1 . 139 . 1 1 9 THR HG22 H 0.934 6.782 -5.527 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG22 . . . . . . . . . c25202_2mu8 1 . 1 . 140 . 1 1 9 THR HG23 H -0.678 6.716 -6.279 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG23 . . . . . . . . . c25202_2mu8 1 . 1 . 141 . 1 1 9 THR N N -0.640 4.791 -2.100 . . . 1.0 . . . . . . . . . . . . A . 9 THR N . . . . . . . . . c25202_2mu8 1 . 1 . 142 . 1 1 9 THR O O 2.214 6.497 -3.421 . . . 1.0 . . . . . . . . . . . . A . 9 THR O . . . . . . . . . c25202_2mu8 1 . 1 . 143 . 1 1 9 THR OG1 O -1.864 5.258 -4.564 . . . 1.0 . . . . . . . . . . . . A . 9 THR OG1 . . . . . . . . . c25202_2mu8 1 . 1 . 144 . 1 1 10 PHE C C 4.596 3.604 -1.517 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c25202_2mu8 1 . 1 . 145 . 1 1 10 PHE CA C 3.689 4.888 -1.520 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c25202_2mu8 1 . 1 . 146 . 1 1 10 PHE CB C 3.593 5.458 -0.090 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c25202_2mu8 1 . 1 . 147 . 1 1 10 PHE CD1 C 3.252 7.942 -0.664 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c25202_2mu8 1 . 1 . 148 . 1 1 10 PHE CD2 C 1.986 6.998 1.161 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c25202_2mu8 1 . 1 . 149 . 1 1 10 PHE CE1 C 2.599 9.159 -0.485 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c25202_2mu8 1 . 1 . 150 . 1 1 10 PHE CE2 C 1.335 8.216 1.340 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c25202_2mu8 1 . 1 . 151 . 1 1 10 PHE CG C 2.932 6.841 0.142 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c25202_2mu8 1 . 1 . 152 . 1 1 10 PHE CZ C 1.639 9.294 0.513 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c25202_2mu8 1 . 1 . 153 . 1 1 10 PHE H H 1.655 4.124 -1.480 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c25202_2mu8 1 . 1 . 154 . 1 1 10 PHE HA H 4.227 5.548 -2.205 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c25202_2mu8 1 . 1 . 155 . 1 1 10 PHE HB2 H 3.093 4.655 0.488 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 156 . 1 1 10 PHE HB3 H 4.608 5.513 0.306 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 157 . 1 1 10 PHE HD1 H 3.987 7.853 -1.450 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c25202_2mu8 1 . 1 . 158 . 1 1 10 PHE HD2 H 1.743 6.181 1.821 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c25202_2mu8 1 . 1 . 159 . 1 1 10 PHE HE1 H 2.837 9.998 -1.123 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c25202_2mu8 1 . 1 . 160 . 1 1 10 PHE HE2 H 0.595 8.324 2.120 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c25202_2mu8 1 . 1 . 161 . 1 1 10 PHE HZ H 1.133 10.238 0.650 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c25202_2mu8 1 . 1 . 162 . 1 1 10 PHE N N 2.291 4.722 -2.013 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c25202_2mu8 1 . 1 . 163 . 1 1 10 PHE O O 5.748 3.619 -1.076 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c25202_2mu8 1 . 1 . 164 . 1 1 11 ILE C C 5.278 0.494 -1.044 . . . 1.0 . . . . . . . . . . . . A . 11 ILE C . . . . . . . . . c25202_2mu8 1 . 1 . 165 . 1 1 11 ILE CA C 4.581 1.177 -2.277 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CA . . . . . . . . . c25202_2mu8 1 . 1 . 166 . 1 1 11 ILE CB C 5.245 1.261 -3.708 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CB . . . . . . . . . c25202_2mu8 1 . 1 . 167 . 1 1 11 ILE CD1 C 3.180 2.440 -4.990 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CD1 . . . . . . . . . c25202_2mu8 1 . 1 . 168 . 1 1 11 ILE CG1 C 4.213 1.303 -4.889 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG1 . . . . . . . . . c25202_2mu8 1 . 1 . 169 . 1 1 11 ILE CG2 C 6.276 0.167 -4.075 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG2 . . . . . . . . . c25202_2mu8 1 . 1 . 170 . 1 1 11 ILE H H 3.466 2.977 -2.791 . . . 1.0 . . . . . . . . . . . . A . 11 ILE H . . . . . . . . . c25202_2mu8 1 . 1 . 171 . 1 1 11 ILE HA H 3.686 0.540 -2.426 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HA . . . . . . . . . c25202_2mu8 1 . 1 . 172 . 1 1 11 ILE HB H 5.814 2.199 -3.726 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HB . . . . . . . . . c25202_2mu8 1 . 1 . 173 . 1 1 11 ILE HD11 H 3.654 3.435 -4.890 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD11 . . . . . . . . . c25202_2mu8 1 . 1 . 174 . 1 1 11 ILE HD12 H 2.664 2.422 -5.967 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD12 . . . . . . . . . c25202_2mu8 1 . 1 . 175 . 1 1 11 ILE HD13 H 2.393 2.359 -4.217 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD13 . . . . . . . . . c25202_2mu8 1 . 1 . 176 . 1 1 11 ILE HG12 H 4.782 1.394 -5.820 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG12 . . . . . . . . . c25202_2mu8 1 . 1 . 177 . 1 1 11 ILE HG13 H 3.676 0.337 -4.943 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG13 . . . . . . . . . c25202_2mu8 1 . 1 . 178 . 1 1 11 ILE HG21 H 5.825 -0.843 -4.088 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG21 . . . . . . . . . c25202_2mu8 1 . 1 . 179 . 1 1 11 ILE HG22 H 6.728 0.336 -5.070 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG22 . . . . . . . . . c25202_2mu8 1 . 1 . 180 . 1 1 11 ILE HG23 H 7.117 0.148 -3.363 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG23 . . . . . . . . . c25202_2mu8 1 . 1 . 181 . 1 1 11 ILE N N 4.021 2.532 -2.057 . . . 1.0 . . . . . . . . . . . . A . 11 ILE N . . . . . . . . . c25202_2mu8 1 . 1 . 182 . 1 1 11 ILE O O 5.491 1.066 0.029 . . . 1.0 . . . . . . . . . . . . A . 11 ILE O . . . . . . . . . c25202_2mu8 1 . 1 . 183 . 1 1 12 ASN C C 5.217 -2.157 0.872 . . . 1.0 . . . . . . . . . . . . A . 12 ASN C . . . . . . . . . c25202_2mu8 1 . 1 . 184 . 1 1 12 ASN CA C 6.204 -1.739 -0.269 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CA . . . . . . . . . c25202_2mu8 1 . 1 . 185 . 1 1 12 ASN CB C 7.606 -1.297 0.260 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CB . . . . . . . . . c25202_2mu8 1 . 1 . 186 . 1 1 12 ASN CG C 8.726 -1.191 -0.792 . . . 1.0 . . . . . . . . . . . . A . 12 ASN CG . . . . . . . . . c25202_2mu8 1 . 1 . 187 . 1 1 12 ASN H H 5.354 -1.072 -2.212 . . . 1.0 . . . . . . . . . . . . A . 12 ASN H . . . . . . . . . c25202_2mu8 1 . 1 . 188 . 1 1 12 ASN HA H 6.355 -2.672 -0.841 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HA . . . . . . . . . c25202_2mu8 1 . 1 . 189 . 1 1 12 ASN HB2 H 7.521 -0.355 0.836 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 190 . 1 1 12 ASN HB3 H 7.952 -2.034 1.010 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 191 . 1 1 12 ASN HD21 H 8.225 0.704 -1.157 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HD21 . . . . . . . . . c25202_2mu8 1 . 1 . 192 . 1 1 12 ASN HD22 H 9.671 0.033 -2.066 . . . 1.0 . . . . . . . . . . . . A . 12 ASN HD22 . . . . . . . . . c25202_2mu8 1 . 1 . 193 . 1 1 12 ASN N N 5.557 -0.801 -1.245 . . . 1.0 . . . . . . . . . . . . A . 12 ASN N . . . . . . . . . c25202_2mu8 1 . 1 . 194 . 1 1 12 ASN ND2 N 8.936 -0.011 -1.351 . . . 1.0 . . . . . . . . . . . . A . 12 ASN ND2 . . . . . . . . . c25202_2mu8 1 . 1 . 195 . 1 1 12 ASN O O 5.561 -2.201 2.057 . . . 1.0 . . . . . . . . . . . . A . 12 ASN O . . . . . . . . . c25202_2mu8 1 . 1 . 196 . 1 1 12 ASN OD1 O 9.415 -2.164 -1.096 . . . 1.0 . . . . . . . . . . . . A . 12 ASN OD1 . . . . . . . . . c25202_2mu8 1 . 1 . 197 . 1 1 13 ASN C C 2.915 -4.512 1.580 . . . 1.0 . . . . . . . . . . . . A . 13 ASN C . . . . . . . . . c25202_2mu8 1 . 1 . 198 . 1 1 13 ASN CA C 2.901 -2.980 1.320 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CA . . . . . . . . . c25202_2mu8 1 . 1 . 199 . 1 1 13 ASN CB C 1.580 -2.446 0.694 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CB . . . . . . . . . c25202_2mu8 1 . 1 . 200 . 1 1 13 ASN CG C 0.331 -2.571 1.589 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CG . . . . . . . . . c25202_2mu8 1 . 1 . 201 . 1 1 13 ASN H H 3.812 -2.235 -0.490 . . . 1.0 . . . . . . . . . . . . A . 13 ASN H . . . . . . . . . c25202_2mu8 1 . 1 . 202 . 1 1 13 ASN HA H 3.041 -2.411 2.236 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HA . . . . . . . . . c25202_2mu8 1 . 1 . 203 . 1 1 13 ASN HB2 H 1.687 -1.368 0.462 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 204 . 1 1 13 ASN HB3 H 1.408 -2.921 -0.292 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 205 . 1 1 13 ASN HD21 H -0.381 -4.049 0.437 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HD21 . . . . . . . . . c25202_2mu8 1 . 1 . 206 . 1 1 13 ASN HD22 H -1.396 -3.548 1.880 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HD22 . . . . . . . . . c25202_2mu8 1 . 1 . 207 . 1 1 13 ASN N N 4.000 -2.553 0.450 . . . 1.0 . . . . . . . . . . . . A . 13 ASN N . . . . . . . . . c25202_2mu8 1 . 1 . 208 . 1 1 13 ASN ND2 N -0.584 -3.469 1.258 . . . 1.0 . . . . . . . . . . . . A . 13 ASN ND2 . . . . . . . . . c25202_2mu8 1 . 1 . 209 . 1 1 13 ASN O O 2.345 -5.282 0.799 . . . 1.0 . . . . . . . . . . . . A . 13 ASN O . . . . . . . . . c25202_2mu8 1 . 1 . 210 . 1 1 13 ASN OD1 O 0.180 -1.857 2.580 . . . 1.0 . . . . . . . . . . . . A . 13 ASN OD1 . . . . . . . . . c25202_2mu8 1 . 1 . 211 . 1 1 14 ALA C C 4.493 -6.409 4.442 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . c25202_2mu8 1 . 1 . 212 . 1 1 14 ALA CA C 3.682 -6.339 3.112 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . c25202_2mu8 1 . 1 . 213 . 1 1 14 ALA CB C 4.238 -7.325 2.050 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . c25202_2mu8 1 . 1 . 214 . 1 1 14 ALA H H 3.757 -4.202 3.363 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . c25202_2mu8 1 . 1 . 215 . 1 1 14 ALA HA H 2.647 -6.625 3.347 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . c25202_2mu8 1 . 1 . 216 . 1 1 14 ALA HB1 H 5.244 -7.031 1.698 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . c25202_2mu8 1 . 1 . 217 . 1 1 14 ALA HB2 H 3.587 -7.400 1.160 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 218 . 1 1 14 ALA HB3 H 4.320 -8.351 2.456 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 219 . 1 1 14 ALA N N 3.593 -4.928 2.667 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . c25202_2mu8 1 . 1 . 220 . 1 1 14 ALA O O 5.605 -6.947 4.485 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . c25202_2mu8 1 . 1 . 221 . 1 1 15 TYR C C 5.957 -5.254 6.949 . . . 1.0 . . . . . . . . . . . . A . 15 TYR C . . . . . . . . . c25202_2mu8 1 . 1 . 222 . 1 1 15 TYR CA C 4.514 -5.828 6.907 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CA . . . . . . . . . c25202_2mu8 1 . 1 . 223 . 1 1 15 TYR CB C 4.211 -7.192 7.562 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CB . . . . . . . . . c25202_2mu8 1 . 1 . 224 . 1 1 15 TYR CD1 C 3.331 -6.745 9.911 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CD1 . . . . . . . . . c25202_2mu8 1 . 1 . 225 . 1 1 15 TYR CD2 C 5.502 -7.778 9.685 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CD2 . . . . . . . . . c25202_2mu8 1 . 1 . 226 . 1 1 15 TYR CE1 C 3.455 -6.788 11.298 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CE1 . . . . . . . . . c25202_2mu8 1 . 1 . 227 . 1 1 15 TYR CE2 C 5.625 -7.821 11.072 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CE2 . . . . . . . . . c25202_2mu8 1 . 1 . 228 . 1 1 15 TYR CG C 4.355 -7.238 9.093 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CG . . . . . . . . . c25202_2mu8 1 . 1 . 229 . 1 1 15 TYR CZ C 4.601 -7.327 11.879 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CZ . . . . . . . . . c25202_2mu8 1 . 1 . 230 . 1 1 15 TYR H H 3.046 -5.372 5.457 . . . 1.0 . . . . . . . . . . . . A . 15 TYR H . . . . . . . . . c25202_2mu8 1 . 1 . 231 . 1 1 15 TYR HA H 3.892 -5.099 7.467 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HA . . . . . . . . . c25202_2mu8 1 . 1 . 232 . 1 1 15 TYR HB2 H 3.154 -7.414 7.291 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 233 . 1 1 15 TYR HB3 H 4.819 -7.981 7.077 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 234 . 1 1 15 TYR HD1 H 2.436 -6.322 9.475 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HD1 . . . . . . . . . c25202_2mu8 1 . 1 . 235 . 1 1 15 TYR HD2 H 6.305 -8.165 9.073 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HD2 . . . . . . . . . c25202_2mu8 1 . 1 . 236 . 1 1 15 TYR HE1 H 2.659 -6.403 11.920 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HE1 . . . . . . . . . c25202_2mu8 1 . 1 . 237 . 1 1 15 TYR HE2 H 6.515 -8.239 11.520 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HE2 . . . . . . . . . c25202_2mu8 1 . 1 . 238 . 1 1 15 TYR HH H 3.926 -7.004 13.640 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HH . . . . . . . . . c25202_2mu8 1 . 1 . 239 . 1 1 15 TYR N N 3.924 -5.864 5.547 . . . 1.0 . . . . . . . . . . . . A . 15 TYR N . . . . . . . . . c25202_2mu8 1 . 1 . 240 . 1 1 15 TYR O O 6.927 -5.906 7.346 . . . 1.0 . . . . . . . . . . . . A . 15 TYR O . . . . . . . . . c25202_2mu8 1 . 1 . 241 . 1 1 15 TYR OH O 4.720 -7.372 13.245 . . . 1.0 . . . . . . . . . . . . A . 15 TYR OH . . . . . . . . . c25202_2mu8 1 . 1 . 242 . 1 1 16 ASN C C 7.392 -2.105 7.535 . . . 1.0 . . . . . . . . . . . . A . 16 ASN C . . . . . . . . . c25202_2mu8 1 . 1 . 243 . 1 1 16 ASN CA C 7.261 -3.184 6.415 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CA . . . . . . . . . c25202_2mu8 1 . 1 . 244 . 1 1 16 ASN CB C 7.321 -2.638 4.960 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CB . . . . . . . . . c25202_2mu8 1 . 1 . 245 . 1 1 16 ASN CG C 8.742 -2.325 4.462 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CG . . . . . . . . . c25202_2mu8 1 . 1 . 246 . 1 1 16 ASN H H 5.093 -3.659 6.206 . . . 1.0 . . . . . . . . . . . . A . 16 ASN H . . . . . . . . . c25202_2mu8 1 . 1 . 247 . 1 1 16 ASN HA H 8.123 -3.855 6.577 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HA . . . . . . . . . c25202_2mu8 1 . 1 . 248 . 1 1 16 ASN HB2 H 6.831 -3.346 4.261 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 249 . 1 1 16 ASN HB3 H 6.705 -1.726 4.872 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 250 . 1 1 16 ASN HD21 H 9.135 -4.284 4.308 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HD21 . . . . . . . . . c25202_2mu8 1 . 1 . 251 . 1 1 16 ASN HD22 H 10.519 -3.124 4.038 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HD22 . . . . . . . . . c25202_2mu8 1 . 1 . 252 . 1 1 16 ASN N N 6.014 -3.993 6.497 . . . 1.0 . . . . . . . . . . . . A . 16 ASN N . . . . . . . . . c25202_2mu8 1 . 1 . 253 . 1 1 16 ASN ND2 N 9.529 -3.348 4.161 . . . 1.0 . . . . . . . . . . . . A . 16 ASN ND2 . . . . . . . . . c25202_2mu8 1 . 1 . 254 . 1 1 16 ASN O O 7.814 -0.964 7.325 . . . 1.0 . . . . . . . . . . . . A . 16 ASN O . . . . . . . . . c25202_2mu8 1 . 1 . 255 . 1 1 16 ASN OD1 O 9.149 -1.167 4.369 . . . 1.0 . . . . . . . . . . . . A . 16 ASN OD1 . . . . . . . . . c25202_2mu8 1 . 1 . 256 . 1 1 17 MET C C 6.216 -0.553 10.032 . . . 1.0 . . . . . . . . . . . . A . 17 MET C . . . . . . . . . c25202_2mu8 1 . 1 . 257 . 1 1 17 MET CA C 7.111 -1.828 10.037 . . . 1.0 . . . . . . . . . . . . A . 17 MET CA . . . . . . . . . c25202_2mu8 1 . 1 . 258 . 1 1 17 MET CB C 8.598 -1.655 10.451 . . . 1.0 . . . . . . . . . . . . A . 17 MET CB . . . . . . . . . c25202_2mu8 1 . 1 . 259 . 1 1 17 MET CE C 8.444 -1.012 14.577 . . . 1.0 . . . . . . . . . . . . A . 17 MET CE . . . . . . . . . c25202_2mu8 1 . 1 . 260 . 1 1 17 MET CG C 8.859 -1.024 11.829 . . . 1.0 . . . . . . . . . . . . A . 17 MET CG . . . . . . . . . c25202_2mu8 1 . 1 . 261 . 1 1 17 MET H H 6.456 -3.376 8.574 . . . 1.0 . . . . . . . . . . . . A . 17 MET H . . . . . . . . . c25202_2mu8 1 . 1 . 262 . 1 1 17 MET HA H 6.667 -2.508 10.791 . . . 1.0 . . . . . . . . . . . . A . 17 MET HA . . . . . . . . . c25202_2mu8 1 . 1 . 263 . 1 1 17 MET HB2 H 9.111 -2.638 10.435 . . . 1.0 . . . . . . . . . . . . A . 17 MET HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 264 . 1 1 17 MET HB3 H 9.092 -1.075 9.657 . . . 1.0 . . . . . . . . . . . . A . 17 MET HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 265 . 1 1 17 MET HE1 H 8.024 -1.482 15.485 . . . 1.0 . . . . . . . . . . . . A . 17 MET HE1 . . . . . . . . . c25202_2mu8 1 . 1 . 266 . 1 1 17 MET HE2 H 8.014 0.002 14.486 . . . 1.0 . . . . . . . . . . . . A . 17 MET HE2 . . . . . . . . . c25202_2mu8 1 . 1 . 267 . 1 1 17 MET HE3 H 9.536 -0.916 14.715 . . . 1.0 . . . . . . . . . . . . A . 17 MET HE3 . . . . . . . . . c25202_2mu8 1 . 1 . 268 . 1 1 17 MET HG2 H 9.946 -0.975 12.024 . . . 1.0 . . . . . . . . . . . . A . 17 MET HG2 . . . . . . . . . c25202_2mu8 1 . 1 . 269 . 1 1 17 MET HG3 H 8.488 0.016 11.869 . . . 1.0 . . . . . . . . . . . . A . 17 MET HG3 . . . . . . . . . c25202_2mu8 1 . 1 . 270 . 1 1 17 MET N N 7.060 -2.571 8.749 . . . 1.0 . . . . . . . . . . . . A . 17 MET N . . . . . . . . . c25202_2mu8 1 . 1 . 271 . 1 1 17 MET O O 6.703 0.582 10.067 . . . 1.0 . . . . . . . . . . . . A . 17 MET O . . . . . . . . . c25202_2mu8 1 . 1 . 272 . 1 1 17 MET SD S 8.064 -2.005 13.120 . . . 1.0 . . . . . . . . . . . . A . 17 MET SD . . . . . . . . . c25202_2mu8 1 . 1 . 273 . 1 1 18 SER C C 3.919 1.134 8.658 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . c25202_2mu8 1 . 1 . 274 . 1 1 18 SER CA C 3.839 0.280 9.958 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . c25202_2mu8 1 . 1 . 275 . 1 1 18 SER CB C 3.790 1.122 11.261 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . c25202_2mu8 1 . 1 . 276 . 1 1 18 SER H H 4.716 -1.741 9.611 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . c25202_2mu8 1 . 1 . 277 . 1 1 18 SER HA H 2.851 -0.226 9.928 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . c25202_2mu8 1 . 1 . 278 . 1 1 18 SER HB2 H 4.747 1.645 11.446 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 279 . 1 1 18 SER HB3 H 3.025 1.916 11.178 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 280 . 1 1 18 SER HG H 3.467 0.893 13.143 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . c25202_2mu8 1 . 1 . 281 . 1 1 18 SER N N 4.888 -0.792 9.977 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . c25202_2mu8 1 . 1 . 282 . 1 1 18 SER O O 4.214 2.334 8.684 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . c25202_2mu8 1 . 1 . 283 . 1 1 18 SER OG O 3.469 0.308 12.382 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . c25202_2mu8 1 . 1 . 284 . 1 1 19 ILE C C 2.227 1.630 5.838 . . . 1.0 . . . . . . . . . . . . A . 19 ILE C . . . . . . . . . c25202_2mu8 1 . 1 . 285 . 1 1 19 ILE CA C 3.657 1.100 6.171 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CA . . . . . . . . . c25202_2mu8 1 . 1 . 286 . 1 1 19 ILE CB C 4.316 0.122 5.130 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CB . . . . . . . . . c25202_2mu8 1 . 1 . 287 . 1 1 19 ILE CD1 C 5.599 1.915 3.710 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CD1 . . . . . . . . . c25202_2mu8 1 . 1 . 288 . 1 1 19 ILE CG1 C 4.580 0.767 3.739 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CG1 . . . . . . . . . c25202_2mu8 1 . 1 . 289 . 1 1 19 ILE CG2 C 3.581 -1.232 4.930 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CG2 . . . . . . . . . c25202_2mu8 1 . 1 . 290 . 1 1 19 ILE H H 3.538 -0.544 7.662 . . . 1.0 . . . . . . . . . . . . A . 19 ILE H . . . . . . . . . c25202_2mu8 1 . 1 . 291 . 1 1 19 ILE HA H 4.349 1.966 6.215 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HA . . . . . . . . . c25202_2mu8 1 . 1 . 292 . 1 1 19 ILE HB H 5.310 -0.136 5.543 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HB . . . . . . . . . c25202_2mu8 1 . 1 . 293 . 1 1 19 ILE HD11 H 5.249 2.795 4.280 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD11 . . . . . . . . . c25202_2mu8 1 . 1 . 294 . 1 1 19 ILE HD12 H 6.574 1.606 4.131 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD12 . . . . . . . . . c25202_2mu8 1 . 1 . 295 . 1 1 19 ILE HD13 H 5.782 2.253 2.674 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD13 . . . . . . . . . c25202_2mu8 1 . 1 . 296 . 1 1 19 ILE HG12 H 4.948 0.001 3.036 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG12 . . . . . . . . . c25202_2mu8 1 . 1 . 297 . 1 1 19 ILE HG13 H 3.629 1.118 3.305 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG13 . . . . . . . . . c25202_2mu8 1 . 1 . 298 . 1 1 19 ILE HG21 H 4.178 -1.933 4.320 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG21 . . . . . . . . . c25202_2mu8 1 . 1 . 299 . 1 1 19 ILE HG22 H 3.392 -1.747 5.889 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG22 . . . . . . . . . c25202_2mu8 1 . 1 . 300 . 1 1 19 ILE HG23 H 2.605 -1.113 4.424 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG23 . . . . . . . . . c25202_2mu8 1 . 1 . 301 . 1 1 19 ILE N N 3.636 0.470 7.522 . . . 1.0 . . . . . . . . . . . . A . 19 ILE N . . . . . . . . . c25202_2mu8 1 . 1 . 302 . 1 1 19 ILE O O 1.334 0.866 5.457 . . . 1.0 . . . . . . . . . . . . A . 19 ILE O . . . . . . . . . c25202_2mu8 1 . 1 . 303 . 1 1 20 ARG C C 0.897 4.697 4.632 . . . 1.0 . . . . . . . . . . . . A . 20 ARG C . . . . . . . . . c25202_2mu8 1 . 1 . 304 . 1 1 20 ARG CA C 0.739 3.641 5.759 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CA . . . . . . . . . c25202_2mu8 1 . 1 . 305 . 1 1 20 ARG CB C 0.215 4.351 7.039 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CB . . . . . . . . . c25202_2mu8 1 . 1 . 306 . 1 1 20 ARG CD C 0.618 2.686 9.031 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CD . . . . . . . . . c25202_2mu8 1 . 1 . 307 . 1 1 20 ARG CG C -0.390 3.480 8.169 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CG . . . . . . . . . c25202_2mu8 1 . 1 . 308 . 1 1 20 ARG CZ C -0.037 2.687 11.460 . . . 1.0 . . . . . . . . . . . . A . 20 ARG CZ . . . . . . . . . c25202_2mu8 1 . 1 . 309 . 1 1 20 ARG H H 2.860 3.464 6.343 . . . 1.0 . . . . . . . . . . . . A . 20 ARG H . . . . . . . . . c25202_2mu8 1 . 1 . 310 . 1 1 20 ARG HA H -0.033 2.911 5.439 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HA . . . . . . . . . c25202_2mu8 1 . 1 . 311 . 1 1 20 ARG HB2 H 0.993 5.018 7.458 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HB2 . . . . . . . . . c25202_2mu8 1 . 1 . 312 . 1 1 20 ARG HB3 H -0.593 5.043 6.731 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HB3 . . . . . . . . . c25202_2mu8 1 . 1 . 313 . 1 1 20 ARG HD2 H 1.029 1.854 8.434 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HD2 . . . . . . . . . c25202_2mu8 1 . 1 . 314 . 1 1 20 ARG HD3 H 1.492 3.313 9.291 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HD3 . . . . . . . . . c25202_2mu8 1 . 1 . 315 . 1 1 20 ARG HG2 H -0.957 4.162 8.833 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HG2 . . . . . . . . . c25202_2mu8 1 . 1 . 316 . 1 1 20 ARG HG3 H -1.150 2.795 7.749 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HG3 . . . . . . . . . c25202_2mu8 1 . 1 . 317 . 1 1 20 ARG HH11 H 0.908 4.383 10.934 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH11 . . . . . . . . . c25202_2mu8 1 . 1 . 318 . 1 1 20 ARG HH12 H 0.374 4.232 12.683 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH12 . . . . . . . . . c25202_2mu8 1 . 1 . 319 . 1 1 20 ARG HH21 H -0.997 1.106 12.229 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH21 . . . . . . . . . c25202_2mu8 1 . 1 . 320 . 1 1 20 ARG HH22 H -0.631 2.502 13.362 . . . 1.0 . . . . . . . . . . . . A . 20 ARG HH22 . . . . . . . . . c25202_2mu8 1 . 1 . 321 . 1 1 20 ARG N N 2.033 2.950 6.020 . . . 1.0 . . . . . . . . . . . . A . 20 ARG N . . . . . . . . . c25202_2mu8 1 . 1 . 322 . 1 1 20 ARG NE N 0.000 2.098 10.246 . . . 1.0 . . . . . . . . . . . . A . 20 ARG NE . . . . . . . . . c25202_2mu8 1 . 1 . 323 . 1 1 20 ARG NH1 N 0.469 3.891 11.719 . . . 1.0 . . . . . . . . . . . . A . 20 ARG NH1 . . . . . . . . . c25202_2mu8 1 . 1 . 324 . 1 1 20 ARG NH2 N -0.613 2.031 12.451 . . . 1.0 . . . . . . . . . . . . A . 20 ARG NH2 . . . . . . . . . c25202_2mu8 1 . 1 . 325 . 1 1 20 ARG O O 1.978 5.189 4.300 . . . 1.0 . . . . . . . . . . . . A . 20 ARG O . . . . . . . . . c25202_2mu8 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 c25202_2mu8 _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 2mu8.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25202_2mu8 1 1 2mu8.mr . . DISCOVER 2 stereochemistry prochirality 'Not applicable' 0 c25202_2mu8 1 1 2mu8.mr . . DISCOVER 3 distance 'hydrogen bond' simple 2 c25202_2mu8 1 1 2mu8.mr . . DISCOVER 4 distance NOE simple 184 c25202_2mu8 1 1 2mu8.mr . . 'MR format' 5 comment 'Not applicable' 'Not applicable' 0 c25202_2mu8 1 1 2mu8.mr . . DISCOVER 6 'dihedral angle' 'Not applicable' 'Not applicable' 19 c25202_2mu8 1 1 2mu8.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25202_2mu8 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 c25202_2mu8 _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 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 . . . . c25202_2mu8 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 ASN H H . . . 1 1 2 2 ASN HA H . . . . . 3.5 1.8 2.8 . . . . . A . 2 ASN H . . A . 2 ASN HA . 1 . 2 ASN HN . . . 1 . 2 ASN HA . . c25202_2mu8 1 2 1 . . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 3 GLU H . . A . 3 GLU HA . 1 . 3 GLU HN . . . 1 . 3 GLU HA . . c25202_2mu8 1 3 1 . . 1 1 4 4 SER H H . . . 1 1 4 4 SER HA H . . . . . 3.5 2.8 3.5 . . . . . A . 4 SER H . . A . 4 SER HA . 1 . 4 SER HN . . . 1 . 4 SER HA . . c25202_2mu8 1 4 1 . . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 5 LYS H . . A . 5 LYS HA . 1 . 5 LYS HN . . . 1 . 5 LYS HA . . c25202_2mu8 1 5 1 . . 1 1 18 18 SER H H . . . 1 1 17 17 MET HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 18 SER H . . A . 17 MET HB2 . 1 . 18 SER HN . . . 1 . 17 MET HBS . . c25202_2mu8 1 6 1 . . 1 1 18 18 SER H H . . . 1 1 17 17 MET HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 18 SER H . . A . 17 MET HB3 . 1 . 18 SER HN . . . 1 . 17 MET HBR . . c25202_2mu8 1 7 1 . . 1 1 2 2 ASN H H . . . 1 1 2 2 ASN HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 2 ASN H . . A . 2 ASN HB3 . 1 . 2 ASN HN . . . 1 . 2 ASN HBR . . c25202_2mu8 1 8 1 . . 1 1 2 2 ASN H H . . . 1 1 2 2 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 2 ASN H . . A . 2 ASN HB2 . 1 . 2 ASN HN . . . 1 . 2 ASN HBS . . c25202_2mu8 1 9 1 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB2 H . . . . . 2.5 1.8 3.5 . . . . . A . 4 SER H . . A . 4 SER HB2 . 1 . 4 SER HN . . . 1 . 4 SER HB* . . c25202_2mu8 1 9 2 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB3 H . . . . . 2.5 1.8 3.5 . . . . . A . 4 SER H . . A . 4 SER HB3 . 1 . 4 SER HN . . . 1 . 4 SER HB* . . c25202_2mu8 1 10 1 . . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 5 LYS H . . A . 5 LYS HB3 . 1 . 5 LYS HN . . . 1 . 5 LYS HBS . . c25202_2mu8 1 11 1 . . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 5 LYS H . . A . 5 LYS HB2 . 1 . 5 LYS HN . . . 1 . 5 LYS HBR . . c25202_2mu8 1 12 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HA H . . . . . 3.5 2.8 3.5 . . . . . A . 6 TYR H . . A . 6 TYR HA . 1 . 6 TYR HN . . . 1 . 6 TYR HA . . c25202_2mu8 1 13 1 OR . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HB2 H . . . . . 3.5 2.5 4.5 . . . . . A . 6 TYR H . . A . 6 TYR HB2 . 1 . 6 TYR HN . . . 1 . 6 TYR HB* . . c25202_2mu8 1 13 2 OR . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HB3 H . . . . . 3.5 2.5 4.5 . . . . . A . 6 TYR H . . A . 6 TYR HB3 . 1 . 6 TYR HN . . . 1 . 6 TYR HB* . . c25202_2mu8 1 14 1 OR . 1 1 6 6 TYR H H . . . 1 1 4 4 SER HB2 H . . . . . 3.5 2.5 4.5 . . . . . A . 6 TYR H . . A . 4 SER HB2 . 1 . 6 TYR HN . . . 1 . 4 SER HB* . . c25202_2mu8 1 14 2 OR . 1 1 4 4 SER HB3 H . . . 1 1 6 6 TYR H H . . . . . 3.5 2.5 4.5 . . . . . A . 4 SER HB3 . . A . 6 TYR H . 1 . 4 SER HB* . . . 1 . 6 TYR HN . . c25202_2mu8 1 15 1 . . 1 1 7 7 SER H H . . . 1 1 7 7 SER HA H . . . . . 2.5 1.8 2.8 . . . . . A . 7 SER H . . A . 7 SER HA . 1 . 7 SER HN . . . 1 . 7 SER HA . . c25202_2mu8 1 16 1 . . 1 1 6 6 TYR HA H . . . 1 1 7 7 SER H H . . . . . 2.5 1.8 2.8 . . . . . A . 6 TYR HA . . A . 7 SER H . 1 . 6 TYR HA . . . 1 . 7 SER HN . . c25202_2mu8 1 17 1 . . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HA H . . . . . 2.5 1.8 2.8 . . . . . A . 8 ASN H . . A . 8 ASN HA . 1 . 8 ASN HN . . . 1 . 8 ASN HA . . c25202_2mu8 1 18 1 . . 1 1 9 9 THR H H . . . 1 1 9 9 THR HB H . . . . . 3.5 2.8 3.5 . . . . . A . 9 THR H . . A . 9 THR HB . 1 . 9 THR HN . . . 1 . 9 THR HB . . c25202_2mu8 1 19 1 . . 1 1 9 9 THR H H . . . 1 1 9 9 THR HA H . . . . . 3.5 2.8 3.5 . . . . . A . 9 THR H . . A . 9 THR HA . 1 . 9 THR HN . . . 1 . 9 THR HA . . c25202_2mu8 1 20 1 . . 1 1 10 10 PHE H H . . . 1 1 10 10 PHE HA H . . . . . 2.5 1.8 2.8 . . . . . A . 10 PHE H . . A . 10 PHE HA . 1 . 10 PHE HN . . . 1 . 10 PHE HA . . c25202_2mu8 1 21 1 . . 1 1 11 11 ILE H H . . . 1 1 10 10 PHE HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ILE H . . A . 10 PHE HB3 . 1 . 11 ILE HN . . . 1 . 10 PHE HBS . . c25202_2mu8 1 22 1 . . 1 1 11 11 ILE H H . . . 1 1 10 10 PHE HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ILE H . . A . 10 PHE HB2 . 1 . 11 ILE HN . . . 1 . 10 PHE HBR . . c25202_2mu8 1 23 1 . . 1 1 11 11 ILE H H . . . 1 1 11 11 ILE HA H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ILE H . . A . 11 ILE HA . 1 . 11 ILE HN . . . 1 . 11 ILE HA . . c25202_2mu8 1 24 1 . . 1 1 12 12 ASN H H . . . 1 1 12 12 ASN HA H . . . . . 2.5 1.8 2.8 . . . . . A . 12 ASN H . . A . 12 ASN HA . 1 . 12 ASN HN . . . 1 . 12 ASN HA . . c25202_2mu8 1 25 1 . . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HA H . . . . . 2.5 1.8 2.8 . . . . . A . 13 ASN H . . A . 13 ASN HA . 1 . 13 ASN HN . . . 1 . 13 ASN HA . . c25202_2mu8 1 26 1 . . 1 1 15 15 TYR H H . . . 1 1 15 15 TYR HA H . . . . . 2.5 1.8 2.8 . . . . . A . 15 TYR H . . A . 15 TYR HA . 1 . 15 TYR HN . . . 1 . 15 TYR HA . . c25202_2mu8 1 27 1 . . 1 1 14 14 ALA H H . . . 1 1 14 14 ALA HA H . . . . . 2.5 1.8 2.8 . . . . . A . 14 ALA H . . A . 14 ALA HA . 1 . 14 ALA HN . . . 1 . 14 ALA HA . . c25202_2mu8 1 28 1 . . 1 1 15 15 TYR H H . . . 1 1 15 15 TYR HB2 H . . . . . 2.5 1.8 2.8 . . . . . A . 15 TYR H . . A . 15 TYR HB2 . 1 . 15 TYR HN . . . 1 . 15 TYR HBR . . c25202_2mu8 1 29 1 . . 1 1 15 15 TYR H H . . . 1 1 15 15 TYR HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 15 TYR H . . A . 15 TYR HB3 . 1 . 15 TYR HN . . . 1 . 15 TYR HBS . . c25202_2mu8 1 30 1 . . 1 1 17 17 MET H H . . . 1 1 17 17 MET HA H . . . . . 3.5 2.8 3.5 . . . . . A . 17 MET H . . A . 17 MET HA . 1 . 17 MET HN . . . 1 . 17 MET HA . . c25202_2mu8 1 31 1 . . 1 1 18 18 SER H H . . . 1 1 18 18 SER HA H . . . . . 3.5 2.8 3.5 . . . . . A . 18 SER H . . A . 18 SER HA . 1 . 18 SER HN . . . 1 . 18 SER HA . . c25202_2mu8 1 32 1 OR . 1 1 18 18 SER H H . . . 1 1 18 18 SER HB2 H . . . . . 2.5 1.8 3.5 . . . . . A . 18 SER H . . A . 18 SER HB2 . 1 . 18 SER HN . . . 1 . 18 SER HB* . . c25202_2mu8 1 32 2 OR . 1 1 18 18 SER H H . . . 1 1 18 18 SER HB3 H . . . . . 2.5 1.8 3.5 . . . . . A . 18 SER H . . A . 18 SER HB3 . 1 . 18 SER HN . . . 1 . 18 SER HB* . . c25202_2mu8 1 33 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE HA H . . . . . 3.5 2.8 3.5 . . . . . A . 19 ILE H . . A . 19 ILE HA . 1 . 19 ILE HN . . . 1 . 19 ILE HA . . c25202_2mu8 1 34 1 OR . 1 1 19 19 ILE H H . . . 1 1 18 18 SER HB2 H . . . . . 3.5 2.5 4.5 . . . . . A . 19 ILE H . . A . 18 SER HB2 . 1 . 19 ILE HN . . . 1 . 18 SER HB* . . c25202_2mu8 1 34 2 OR . 1 1 18 18 SER HB3 H . . . 1 1 19 19 ILE H H . . . . . 3.5 2.5 4.5 . . . . . A . 18 SER HB3 . . A . 19 ILE H . 1 . 18 SER HB* . . . 1 . 19 ILE HN . . c25202_2mu8 1 35 1 . . 1 1 1 1 LYS HA H . . . 1 1 2 2 ASN H H . . . . . 2.5 1.8 2.8 . . . . . A . 1 LYS HA . . A . 2 ASN H . 1 . 1 LYS HA . . . 1 . 2 ASN HN . . c25202_2mu8 1 36 1 . . 1 1 2 2 ASN HA H . . . 1 1 3 3 GLU H H . . . . . 2.5 1.8 2.8 . . . . . A . 2 ASN HA . . A . 3 GLU H . 1 . 2 ASN HA . . . 1 . 3 GLU HN . . c25202_2mu8 1 37 1 . . 1 1 4 4 SER HA H . . . 1 1 5 5 LYS H H . . . . . 2.5 1.8 2.8 . . . . . A . 4 SER HA . . A . 5 LYS H . 1 . 4 SER HA . . . 1 . 5 LYS HN . . c25202_2mu8 1 38 1 . . 1 1 5 5 LYS HA H . . . 1 1 6 6 TYR H H . . . . . 2.5 1.8 2.8 . . . . . A . 5 LYS HA . . A . 6 TYR H . 1 . 5 LYS HA . . . 1 . 6 TYR HN . . c25202_2mu8 1 39 1 . . 1 1 7 7 SER HA H . . . 1 1 8 8 ASN H H . . . . . 2.5 1.8 2.8 . . . . . A . 7 SER HA . . A . 8 ASN H . 1 . 7 SER HA . . . 1 . 8 ASN HN . . c25202_2mu8 1 40 1 . . 1 1 8 8 ASN HA H . . . 1 1 9 9 THR H H . . . . . 2.5 1.8 2.8 . . . . . A . 8 ASN HA . . A . 9 THR H . 1 . 8 ASN HA . . . 1 . 9 THR HN . . c25202_2mu8 1 41 1 . . 1 1 9 9 THR HB H . . . 1 1 10 10 PHE H H . . . . . 3.5 2.8 3.5 . . . . . A . 9 THR HB . . A . 10 PHE H . 1 . 9 THR HB . . . 1 . 10 PHE HN . . c25202_2mu8 1 42 1 . . 1 1 9 9 THR HA H . . . 1 1 10 10 PHE H H . . . . . 2.5 1.8 2.8 . . . . . A . 9 THR HA . . A . 10 PHE H . 1 . 9 THR HA . . . 1 . 10 PHE HN . . c25202_2mu8 1 43 1 . . 1 1 10 10 PHE HA H . . . 1 1 11 11 ILE H H . . . . . 2.5 1.8 2.8 . . . . . A . 10 PHE HA . . A . 11 ILE H . 1 . 10 PHE HA . . . 1 . 11 ILE HN . . c25202_2mu8 1 44 1 . . 1 1 11 11 ILE HA H . . . 1 1 12 12 ASN H H . . . . . 2.5 1.8 2.8 . . . . . A . 11 ILE HA . . A . 12 ASN H . 1 . 11 ILE HA . . . 1 . 12 ASN HN . . c25202_2mu8 1 45 1 . . 1 1 15 15 TYR H H . . . 1 1 14 14 ALA HA H . . . . . 2.5 1.8 2.8 . . . . . A . 15 TYR H . . A . 14 ALA HA . 1 . 15 TYR HN . . . 1 . 14 ALA HA . . c25202_2mu8 1 46 1 . . 1 1 18 18 SER HA H . . . 1 1 19 19 ILE H H . . . . . 2.5 1.8 2.8 . . . . . A . 18 SER HA . . A . 19 ILE H . 1 . 18 SER HA . . . 1 . 19 ILE HN . . c25202_2mu8 1 47 1 . . 1 1 7 7 SER HA H . . . 1 1 9 9 THR H H . . . . . 5.0 3.5 5.0 . . . . . A . 7 SER HA . . A . 9 THR H . 1 . 7 SER HA . . . 1 . 9 THR HN . . c25202_2mu8 1 48 1 . . 1 1 13 13 ASN HA H . . . 1 1 13 13 ASN HD21 H . . . . . 5.0 3.5 5.0 . . . . . A . 13 ASN HA . . A . 13 ASN HD21 . 1 . 13 ASN HA . . . 1 . 13 ASN HD21 . . c25202_2mu8 1 49 1 . . 1 1 8 8 ASN HA H . . . 1 1 8 8 ASN HD21 H . . . . . 5.0 3.5 5.0 . . . . . A . 8 ASN HA . . A . 8 ASN HD21 . 1 . 8 ASN HA . . . 1 . 8 ASN HD21 . . c25202_2mu8 1 50 1 . . 1 1 10 10 PHE HA H . . . 1 1 10 10 PHE QD H . . . . . 2.5 1.8 4.5 . . . . . A . 10 PHE HA . . A . 10 PHE QD . 1 . 10 PHE HA . . . 1 . 10 PHE HD* . . c25202_2mu8 1 51 1 . . 1 1 6 6 TYR HA H . . . 1 1 6 6 TYR QD H . . . . . 2.5 1.8 4.5 . . . . . A . 6 TYR HA . . A . 6 TYR QD . 1 . 6 TYR HA . . . 1 . 6 TYR HD* . . c25202_2mu8 1 52 1 . . 1 1 16 16 ASN HD22 H . . . 1 1 16 16 ASN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 16 ASN HD22 . . A . 16 ASN HA . 1 . 16 ASN HD22 . . . 1 . 16 ASN HA . . c25202_2mu8 1 53 1 . . 1 1 8 8 ASN HA H . . . 1 1 8 8 ASN HD22 H . . . . . 5.0 3.5 5.0 . . . . . A . 8 ASN HA . . A . 8 ASN HD22 . 1 . 8 ASN HA . . . 1 . 8 ASN HD22 . . c25202_2mu8 1 54 1 . . 1 1 15 15 TYR HA H . . . 1 1 15 15 TYR QD H . . . . . 2.5 1.8 4.5 . . . . . A . 15 TYR HA . . A . 15 TYR QD . 1 . 15 TYR HA . . . 1 . 15 TYR HD* . . c25202_2mu8 1 55 1 . . 1 1 9 9 THR HA H . . . 1 1 10 10 PHE QD H . . . . . 2.5 1.8 4.5 . . . . . A . 9 THR HA . . A . 10 PHE QD . 1 . 9 THR HA . . . 1 . 10 PHE HD* . . c25202_2mu8 1 56 1 . . 1 1 5 5 LYS HA H . . . 1 1 6 6 TYR QD H . . . . . 5.0 3.5 7.0 . . . . . A . 5 LYS HA . . A . 6 TYR QD . 1 . 5 LYS HA . . . 1 . 6 TYR HD* . . c25202_2mu8 1 57 1 . . 1 1 14 14 ALA HA H . . . 1 1 15 15 TYR QD H . . . . . 5.0 3.5 7.0 . . . . . A . 14 ALA HA . . A . 15 TYR QD . 1 . 14 ALA HA . . . 1 . 15 TYR HD* . . c25202_2mu8 1 58 1 . . 1 1 9 9 THR HB H . . . 1 1 10 10 PHE QD H . . . . . 5.0 3.5 7.0 . . . . . A . 9 THR HB . . A . 10 PHE QD . 1 . 9 THR HB . . . 1 . 10 PHE HD* . . c25202_2mu8 1 59 1 . . 1 1 15 15 TYR HA H . . . 1 1 15 15 TYR QE H . . . . . 5.0 3.5 7.0 . . . . . A . 15 TYR HA . . A . 15 TYR QE . 1 . 15 TYR HA . . . 1 . 15 TYR HE* . . c25202_2mu8 1 60 1 . . 1 1 6 6 TYR HA H . . . 1 1 6 6 TYR QE H . . . . . 5.0 3.5 7.0 . . . . . A . 6 TYR HA . . A . 6 TYR QE . 1 . 6 TYR HA . . . 1 . 6 TYR HE* . . c25202_2mu8 1 61 1 . . 1 1 16 16 ASN HA H . . . 1 1 16 16 ASN HD21 H . . . . . 3.5 2.8 3.5 . . . . . A . 16 ASN HA . . A . 16 ASN HD21 . 1 . 16 ASN HA . . . 1 . 16 ASN HD21 . . c25202_2mu8 1 62 1 OR . 1 1 8 8 ASN H H . . . 1 1 7 7 SER HB2 H . . . . . 3.5 2.5 4.5 . . . . . A . 8 ASN H . . A . 7 SER HB2 . 1 . 8 ASN HN . . . 1 . 7 SER HB* . . c25202_2mu8 1 62 2 OR . 1 1 8 8 ASN H H . . . 1 1 7 7 SER HB3 H . . . . . 3.5 2.5 4.5 . . . . . A . 8 ASN H . . A . 7 SER HB3 . 1 . 8 ASN HN . . . 1 . 7 SER HB* . . c25202_2mu8 1 63 1 OR . 1 1 7 7 SER H H . . . 1 1 7 7 SER HB2 H . . . . . 3.5 2.5 4.5 . . . . . A . 7 SER H . . A . 7 SER HB2 . 1 . 7 SER HN . . . 1 . 7 SER HB* . . c25202_2mu8 1 63 2 OR . 1 1 7 7 SER H H . . . 1 1 7 7 SER HB3 H . . . . . 3.5 2.5 4.5 . . . . . A . 7 SER H . . A . 7 SER HB3 . 1 . 7 SER HN . . . 1 . 7 SER HB* . . c25202_2mu8 1 64 1 OR . 1 1 5 5 LYS H H . . . 1 1 4 4 SER HB2 H . . . . . 2.5 1.8 3.5 . . . . . A . 5 LYS H . . A . 4 SER HB2 . 1 . 5 LYS HN . . . 1 . 4 SER HB* . . c25202_2mu8 1 64 2 OR . 1 1 5 5 LYS H H . . . 1 1 4 4 SER HB3 H . . . . . 2.5 1.8 3.5 . . . . . A . 5 LYS H . . A . 4 SER HB3 . 1 . 5 LYS HN . . . 1 . 4 SER HB* . . c25202_2mu8 1 65 1 OR . 1 1 6 6 TYR QD H . . . 1 1 4 4 SER HB2 H . . . . . 5.0 3.5 8.0 . . . . . A . 6 TYR QD . . A . 4 SER HB2 . 1 . 6 TYR HD* . . . 1 . 4 SER HB* . . c25202_2mu8 1 65 2 OR . 1 1 4 4 SER HB3 H . . . 1 1 6 6 TYR QD H . . . . . 5.0 3.5 8.0 . . . . . A . 4 SER HB3 . . A . 6 TYR QD . 1 . 4 SER HB* . . . 1 . 6 TYR HD* . . c25202_2mu8 1 66 1 . . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HB3 H . . . . . 2.5 1.8 2.8 . . . . . A . 8 ASN H . . A . 8 ASN HB3 . 1 . 8 ASN HN . . . 1 . 8 ASN HBR . . c25202_2mu8 1 67 1 . . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HB2 H . . . . . 2.5 1.8 2.8 . . . . . A . 8 ASN H . . A . 8 ASN HB2 . 1 . 8 ASN HN . . . 1 . 8 ASN HBS . . c25202_2mu8 1 68 1 . . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HB3 H . . . . . 2.5 1.8 2.8 . . . . . A . 13 ASN H . . A . 13 ASN HB3 . 1 . 13 ASN HN . . . 1 . 13 ASN HBR . . c25202_2mu8 1 69 1 . . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HB2 H . . . . . 2.5 1.8 2.8 . . . . . A . 13 ASN H . . A . 13 ASN HB2 . 1 . 13 ASN HN . . . 1 . 13 ASN HBS . . c25202_2mu8 1 70 1 OR . 1 1 7 7 SER H H . . . 1 1 6 6 TYR HB2 H . . . . . 3.5 2.5 4.5 . . . . . A . 7 SER H . . A . 6 TYR HB2 . 1 . 7 SER HN . . . 1 . 6 TYR HB* . . c25202_2mu8 1 70 2 OR . 1 1 6 6 TYR HB3 H . . . 1 1 7 7 SER H H . . . . . 3.5 2.5 4.5 . . . . . A . 6 TYR HB3 . . A . 7 SER H . 1 . 6 TYR HB* . . . 1 . 7 SER HN . . c25202_2mu8 1 71 1 OR . 1 1 18 18 SER H H . . . 1 1 17 17 MET HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 18 SER H . . A . 17 MET HG2 . 1 . 18 SER HN . . . 1 . 17 MET HG* . . c25202_2mu8 1 71 2 OR . 1 1 18 18 SER H H . . . 1 1 17 17 MET HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 18 SER H . . A . 17 MET HG3 . 1 . 18 SER HN . . . 1 . 17 MET HG* . . c25202_2mu8 1 72 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 . . c25202_2mu8 1 73 1 OR . 1 1 17 17 MET H H . . . 1 1 17 17 MET HG2 H . . . . . 3.5 2.5 4.5 . . . . . A . 17 MET H . . A . 17 MET HG2 . 1 . 17 MET HN . . . 1 . 17 MET HG* . . c25202_2mu8 1 73 2 OR . 1 1 17 17 MET H H . . . 1 1 17 17 MET HG3 H . . . . . 3.5 2.5 4.5 . . . . . A . 17 MET H . . A . 17 MET HG3 . 1 . 17 MET HN . . . 1 . 17 MET HG* . . c25202_2mu8 1 74 1 . . 1 1 3 3 GLU H H . . . 1 1 2 2 ASN HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 3 GLU H . . A . 2 ASN HB3 . 1 . 3 GLU HN . . . 1 . 2 ASN HBR . . c25202_2mu8 1 75 1 . . 1 1 16 16 ASN H H . . . 1 1 16 16 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 16 ASN H . . A . 16 ASN HB2 . 1 . 16 ASN HN . . . 1 . 16 ASN HBS . . c25202_2mu8 1 76 1 . . 1 1 10 10 PHE H H . . . 1 1 10 10 PHE HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 10 PHE H . . A . 10 PHE HB3 . 1 . 10 PHE HN . . . 1 . 10 PHE HBS . . c25202_2mu8 1 77 1 . . 1 1 10 10 PHE H H . . . 1 1 10 10 PHE HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 10 PHE H . . A . 10 PHE HB2 . 1 . 10 PHE HN . . . 1 . 10 PHE HBR . . c25202_2mu8 1 78 1 . . 1 1 10 10 PHE HB2 H . . . 1 1 10 10 PHE QD H . . . . . 2.5 1.8 4.5 . . . . . A . 10 PHE HB2 . . A . 10 PHE QD . 1 . 10 PHE HBR . . . 1 . 10 PHE HD* . . c25202_2mu8 1 79 1 . . 1 1 15 15 TYR HB2 H . . . 1 1 15 15 TYR QD H . . . . . 2.5 1.8 4.5 . . . . . A . 15 TYR HB2 . . A . 15 TYR QD . 1 . 15 TYR HBR . . . 1 . 15 TYR HD* . . c25202_2mu8 1 80 1 . . 1 1 10 10 PHE QD H . . . 1 1 8 8 ASN HB3 H . . . . . 5.0 3.5 7.0 . . . . . A . 10 PHE QD . . A . 8 ASN HB3 . 1 . 10 PHE HD* . . . 1 . 8 ASN HBR . . c25202_2mu8 1 81 1 . . 1 1 10 10 PHE QD H . . . 1 1 8 8 ASN HB2 H . . . . . 5.0 3.5 7.0 . . . . . A . 10 PHE QD . . A . 8 ASN HB2 . 1 . 10 PHE HD* . . . 1 . 8 ASN HBS . . c25202_2mu8 1 82 1 . . 1 1 9 9 THR H H . . . 1 1 8 8 ASN HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 9 THR H . . A . 8 ASN HB3 . 1 . 9 THR HN . . . 1 . 8 ASN HBR . . c25202_2mu8 1 83 1 . . 1 1 9 9 THR H H . . . 1 1 8 8 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 9 THR H . . A . 8 ASN HB2 . 1 . 9 THR HN . . . 1 . 8 ASN HBS . . c25202_2mu8 1 84 1 . . 1 1 3 3 GLU H H . . . 1 1 2 2 ASN HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 3 GLU H . . A . 2 ASN HB2 . 1 . 3 GLU HN . . . 1 . 2 ASN HBS . . c25202_2mu8 1 85 1 . . 1 1 17 17 MET H H . . . 1 1 16 16 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 17 MET H . . A . 16 ASN HB2 . 1 . 17 MET HN . . . 1 . 16 ASN HBS . . c25202_2mu8 1 86 1 . . 1 1 10 10 PHE HB3 H . . . 1 1 10 10 PHE QD H . . . . . 2.5 1.8 4.5 . . . . . A . 10 PHE HB3 . . A . 10 PHE QD . 1 . 10 PHE HBS . . . 1 . 10 PHE HD* . . c25202_2mu8 1 87 1 . . 1 1 15 15 TYR HB3 H . . . 1 1 15 15 TYR QD H . . . . . 2.5 1.8 4.5 . . . . . A . 15 TYR HB3 . . A . 15 TYR QD . 1 . 15 TYR HBS . . . 1 . 15 TYR HD* . . c25202_2mu8 1 88 1 . . 1 1 16 16 ASN HD22 H . . . 1 1 16 16 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 16 ASN HD22 . . A . 16 ASN HB2 . 1 . 16 ASN HD22 . . . 1 . 16 ASN HBS . . c25202_2mu8 1 89 1 OR . 1 1 4 4 SER H H . . . 1 1 3 3 GLU HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 4 SER H . . A . 3 GLU HG2 . 1 . 4 SER HN . . . 1 . 3 GLU HG* . . c25202_2mu8 1 89 2 OR . 1 1 4 4 SER H H . . . 1 1 3 3 GLU HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 4 SER H . . A . 3 GLU HG3 . 1 . 4 SER HN . . . 1 . 3 GLU HG* . . c25202_2mu8 1 90 1 OR . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 3 GLU H . . A . 3 GLU HG2 . 1 . 3 GLU HN . . . 1 . 3 GLU HG* . . c25202_2mu8 1 90 2 OR . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 3 GLU H . . A . 3 GLU HG3 . 1 . 3 GLU HN . . . 1 . 3 GLU HG* . . c25202_2mu8 1 91 1 . . 1 1 4 4 SER H H . . . 1 1 3 3 GLU HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 4 SER H . . A . 3 GLU HB2 . 1 . 4 SER HN . . . 1 . 3 GLU HBR . . c25202_2mu8 1 92 1 . . 1 1 17 17 MET HB2 H . . . 1 1 17 17 MET H H . . . . . 3.5 2.8 3.5 . . . . . A . 17 MET HB2 . . A . 17 MET H . 1 . 17 MET HBS . . . 1 . 17 MET HN . . c25202_2mu8 1 93 1 . . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 3 GLU H . . A . 3 GLU HB2 . 1 . 3 GLU HN . . . 1 . 3 GLU HBR . . c25202_2mu8 1 94 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE HB H . . . . . 3.5 2.8 3.5 . . . . . A . 19 ILE H . . A . 19 ILE HB . 1 . 19 ILE HN . . . 1 . 19 ILE HB . . c25202_2mu8 1 95 1 . . 1 1 12 12 ASN H H . . . 1 1 11 11 ILE HB H . . . . . 3.5 2.8 3.5 . . . . . A . 12 ASN H . . A . 11 ILE HB . 1 . 12 ASN HN . . . 1 . 11 ILE HB . . c25202_2mu8 1 96 1 . . 1 1 2 2 ASN H H . . . 1 1 1 1 LYS HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 2 ASN H . . A . 1 LYS HB2 . 1 . 2 ASN HN . . . 1 . 1 LYS HBR . . c25202_2mu8 1 97 1 . . 1 1 2 2 ASN H H . . . 1 1 1 1 LYS HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 2 ASN H . . A . 1 LYS HB3 . 1 . 2 ASN HN . . . 1 . 1 LYS HBS . . c25202_2mu8 1 98 1 OR . 1 1 2 2 ASN H H . . . 1 1 1 1 LYS HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 2 ASN H . . A . 1 LYS HG2 . 1 . 2 ASN HN . . . 1 . 1 LYS HG* . . c25202_2mu8 1 98 2 OR . 1 1 2 2 ASN H H . . . 1 1 1 1 LYS HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 2 ASN H . . A . 1 LYS HG3 . 1 . 2 ASN HN . . . 1 . 1 LYS HG* . . c25202_2mu8 1 99 1 . . 1 1 12 12 ASN H H . . . 1 1 11 11 ILE HG12 H . . . . . 5.0 3.5 5.0 . . . . . A . 12 ASN H . . A . 11 ILE HG12 . 1 . 12 ASN HN . . . 1 . 11 ILE HG1R . . c25202_2mu8 1 100 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE HG12 H . . . . . 5.0 3.5 5.0 . . . . . A . 19 ILE H . . A . 19 ILE HG12 . 1 . 19 ILE HN . . . 1 . 19 ILE HG1R . . c25202_2mu8 1 101 1 . . 1 1 11 11 ILE H H . . . 1 1 11 11 ILE HG12 H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ILE H . . A . 11 ILE HG12 . 1 . 11 ILE HN . . . 1 . 11 ILE HG1R . . c25202_2mu8 1 102 1 . . 1 1 5 5 LYS HB3 H . . . 1 1 6 6 TYR H H . . . . . 3.5 2.8 3.5 . . . . . A . 5 LYS HB3 . . A . 6 TYR H . 1 . 5 LYS HBS . . . 1 . 6 TYR HN . . c25202_2mu8 1 103 1 . . 1 1 5 5 LYS HB2 H . . . 1 1 6 6 TYR H H . . . . . 5.0 3.5 5.0 . . . . . A . 5 LYS HB2 . . A . 6 TYR H . 1 . 5 LYS HBR . . . 1 . 6 TYR HN . . c25202_2mu8 1 104 1 . . 1 1 11 11 ILE H H . . . 1 1 11 11 ILE HB H . . . . . 2.5 1.8 2.8 . . . . . A . 11 ILE H . . A . 11 ILE HB . 1 . 11 ILE HN . . . 1 . 11 ILE HB . . c25202_2mu8 1 105 1 . . 1 1 4 4 SER H H . . . 1 1 3 3 GLU HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 4 SER H . . A . 3 GLU HB3 . 1 . 4 SER HN . . . 1 . 3 GLU HBS . . c25202_2mu8 1 106 1 . . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 3 GLU H . . A . 3 GLU HB3 . 1 . 3 GLU HN . . . 1 . 3 GLU HBS . . c25202_2mu8 1 107 1 . . 1 1 17 17 MET HB3 H . . . 1 1 17 17 MET H H . . . . . 3.5 2.8 3.5 . . . . . A . 17 MET HB3 . . A . 17 MET H . 1 . 17 MET HBR . . . 1 . 17 MET HN . . c25202_2mu8 1 108 1 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HG2 H . . . . . 3.5 2.5 4.5 . . . . . A . 5 LYS H . . A . 5 LYS HG2 . 1 . 5 LYS HN . . . 1 . 5 LYS HG* . . c25202_2mu8 1 108 2 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HG3 H . . . . . 3.5 2.5 4.5 . . . . . A . 5 LYS H . . A . 5 LYS HG3 . 1 . 5 LYS HN . . . 1 . 5 LYS HG* . . c25202_2mu8 1 109 1 . . 1 1 12 12 ASN H H . . . 1 1 11 11 ILE MD H . . . . . 3.5 2.5 4.5 . . . . . A . 12 ASN H . . A . 11 ILE MD . 1 . 12 ASN HN . . . 1 . 11 ILE HD1* . . c25202_2mu8 1 110 1 . . 1 1 11 11 ILE H H . . . 1 1 11 11 ILE MD H . . . . . 3.5 2.5 4.5 . . . . . A . 11 ILE H . . A . 11 ILE MD . 1 . 11 ILE HN . . . 1 . 11 ILE HD1* . . c25202_2mu8 1 111 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE MD H . . . . . 5.0 3.5 6.0 . . . . . A . 19 ILE H . . A . 19 ILE MD . 1 . 19 ILE HN . . . 1 . 19 ILE HD1* . . c25202_2mu8 1 112 1 . . 1 1 9 9 THR H H . . . 1 1 9 9 THR MG H . . . . . 2.5 1.8 3.5 . . . . . A . 9 THR H . . A . 9 THR MG . 1 . 9 THR HN . . . 1 . 9 THR HG2* . . c25202_2mu8 1 113 1 . . 1 1 14 14 ALA H H . . . 1 1 14 14 ALA MB H . . . . . 2.5 1.8 3.5 . . . . . A . 14 ALA H . . A . 14 ALA MB . 1 . 14 ALA HN . . . 1 . 14 ALA HB* . . c25202_2mu8 1 114 1 . . 1 1 16 16 ASN H H . . . 1 1 14 14 ALA MB H . . . . . 5.0 3.5 6.0 . . . . . A . 16 ASN H . . A . 14 ALA MB . 1 . 16 ASN HN . . . 1 . 14 ALA HB* . . c25202_2mu8 1 115 1 . . 1 1 15 15 TYR H H . . . 1 1 14 14 ALA MB H . . . . . 2.5 1.8 3.5 . . . . . A . 15 TYR H . . A . 14 ALA MB . 1 . 15 TYR HN . . . 1 . 14 ALA HB* . . c25202_2mu8 1 116 1 . . 1 1 11 11 ILE H H . . . 1 1 11 11 ILE HG13 H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ILE H . . A . 11 ILE HG13 . 1 . 11 ILE HN . . . 1 . 11 ILE HG1S . . c25202_2mu8 1 117 1 . . 1 1 12 12 ASN H H . . . 1 1 11 11 ILE HG13 H . . . . . 3.5 2.8 3.5 . . . . . A . 12 ASN H . . A . 11 ILE HG13 . 1 . 12 ASN HN . . . 1 . 11 ILE HG1S . . c25202_2mu8 1 118 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE HG13 H . . . . . 5.0 3.5 5.0 . . . . . A . 19 ILE H . . A . 19 ILE HG13 . 1 . 19 ILE HN . . . 1 . 19 ILE HG1S . . c25202_2mu8 1 119 1 . . 1 1 10 10 PHE H H . . . 1 1 9 9 THR MG H . . . . . 3.5 2.5 4.5 . . . . . A . 10 PHE H . . A . 9 THR MG . 1 . 10 PHE HN . . . 1 . 9 THR HG2* . . c25202_2mu8 1 120 1 . . 1 1 10 10 PHE HA H . . . 1 1 11 11 ILE MD H . . . . . 3.5 2.5 4.5 . . . . . A . 10 PHE HA . . A . 11 ILE MD . 1 . 10 PHE HA . . . 1 . 11 ILE HD1* . . c25202_2mu8 1 121 1 . . 1 1 13 13 ASN HA H . . . 1 1 14 14 ALA MB H . . . . . 3.5 2.5 4.5 . . . . . A . 13 ASN HA . . A . 14 ALA MB . 1 . 13 ASN HA . . . 1 . 14 ALA HB* . . c25202_2mu8 1 122 1 . . 1 1 8 8 ASN HA H . . . 1 1 9 9 THR MG H . . . . . 5.0 3.5 6.0 . . . . . A . 8 ASN HA . . A . 9 THR MG . 1 . 8 ASN HA . . . 1 . 9 THR HG2* . . c25202_2mu8 1 123 1 . . 1 1 11 11 ILE HA H . . . 1 1 11 11 ILE MD H . . . . . 2.5 1.8 3.5 . . . . . A . 11 ILE HA . . A . 11 ILE MD . 1 . 11 ILE HA . . . 1 . 11 ILE HD1* . . c25202_2mu8 1 124 1 . . 1 1 9 9 THR HA H . . . 1 1 9 9 THR MG H . . . . . 2.5 1.8 3.5 . . . . . A . 9 THR HA . . A . 9 THR MG . 1 . 9 THR HA . . . 1 . 9 THR HG2* . . c25202_2mu8 1 125 1 . . 1 1 14 14 ALA HA H . . . 1 1 14 14 ALA MB H . . . . . 2.5 1.8 3.5 . . . . . A . 14 ALA HA . . A . 14 ALA MB . 1 . 14 ALA HA . . . 1 . 14 ALA HB* . . c25202_2mu8 1 126 1 . . 1 1 11 11 ILE HA H . . . 1 1 11 11 ILE HG13 H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ILE HA . . A . 11 ILE HG13 . 1 . 11 ILE HA . . . 1 . 11 ILE HG1S . . c25202_2mu8 1 127 1 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 1 LYS HA . . A . 1 LYS HG2 . 1 . 1 LYS HA . . . 1 . 1 LYS HG* . . c25202_2mu8 1 127 2 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 1 LYS HA . . A . 1 LYS HG3 . 1 . 1 LYS HA . . . 1 . 1 LYS HG* . . c25202_2mu8 1 128 1 . . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 3 GLU HA . . A . 3 GLU HB3 . 1 . 3 GLU HA . . . 1 . 3 GLU HBS . . c25202_2mu8 1 129 1 . . 1 1 17 17 MET HB3 H . . . 1 1 17 17 MET HA H . . . . . 3.5 2.8 3.5 . . . . . A . 17 MET HB3 . . A . 17 MET HA . 1 . 17 MET HBR . . . 1 . 17 MET HA . . c25202_2mu8 1 130 1 . . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 3 GLU HA . . A . 3 GLU HB2 . 1 . 3 GLU HA . . . 1 . 3 GLU HBR . . c25202_2mu8 1 131 1 . . 1 1 17 17 MET HB2 H . . . 1 1 17 17 MET HA H . . . . . 3.5 2.8 3.5 . . . . . A . 17 MET HB2 . . A . 17 MET HA . 1 . 17 MET HBS . . . 1 . 17 MET HA . . c25202_2mu8 1 132 1 OR . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 3 GLU HA . . A . 3 GLU HG2 . 1 . 3 GLU HA . . . 1 . 3 GLU HG* . . c25202_2mu8 1 132 2 OR . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 3 GLU HA . . A . 3 GLU HG3 . 1 . 3 GLU HA . . . 1 . 3 GLU HG* . . c25202_2mu8 1 133 1 . . 1 1 15 15 TYR HA H . . . 1 1 15 15 TYR HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 15 TYR HA . . A . 15 TYR HB3 . 1 . 15 TYR HA . . . 1 . 15 TYR HBS . . c25202_2mu8 1 134 1 . . 1 1 10 10 PHE HA H . . . 1 1 10 10 PHE HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 10 PHE HA . . A . 10 PHE HB3 . 1 . 10 PHE HA . . . 1 . 10 PHE HBS . . c25202_2mu8 1 135 1 . . 1 1 8 8 ASN HA H . . . 1 1 8 8 ASN HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 8 ASN HA . . A . 8 ASN HB2 . 1 . 8 ASN HA . . . 1 . 8 ASN HBS . . c25202_2mu8 1 136 1 . . 1 1 8 8 ASN HA H . . . 1 1 8 8 ASN HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 8 ASN HA . . A . 8 ASN HB3 . 1 . 8 ASN HA . . . 1 . 8 ASN HBR . . c25202_2mu8 1 137 1 . . 1 1 10 10 PHE HA H . . . 1 1 11 11 ILE HB H . . . . . 5.0 3.5 5.0 . . . . . A . 10 PHE HA . . A . 11 ILE HB . 1 . 10 PHE HA . . . 1 . 11 ILE HB . . c25202_2mu8 1 138 1 . . 1 1 2 2 ASN H H . . . 1 1 3 3 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 2 ASN H . . A . 3 GLU H . 1 . 2 ASN HN . . . 1 . 3 GLU HN . . c25202_2mu8 1 139 1 . . 1 1 11 11 ILE H H . . . 1 1 12 12 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ILE H . . A . 12 ASN H . 1 . 11 ILE HN . . . 1 . 12 ASN HN . . c25202_2mu8 1 140 1 . . 1 1 8 8 ASN H H . . . 1 1 9 9 THR H H . . . . . 2.5 1.8 2.8 . . . . . A . 8 ASN H . . A . 9 THR H . 1 . 8 ASN HN . . . 1 . 9 THR HN . . c25202_2mu8 1 141 1 . . 1 1 18 18 SER H H . . . 1 1 19 19 ILE H H . . . . . 2.5 1.8 2.8 . . . . . A . 18 SER H . . A . 19 ILE H . 1 . 18 SER HN . . . 1 . 19 ILE HN . . c25202_2mu8 1 142 1 . . 1 1 9 9 THR H H . . . 1 1 10 10 PHE H H . . . . . 2.5 1.8 2.8 . . . . . A . 9 THR H . . A . 10 PHE H . 1 . 9 THR HN . . . 1 . 10 PHE HN . . c25202_2mu8 1 143 1 . . 1 1 7 7 SER H H . . . 1 1 8 8 ASN H H . . . . . 2.5 1.8 2.8 . . . . . A . 7 SER H . . A . 8 ASN H . 1 . 7 SER HN . . . 1 . 8 ASN HN . . c25202_2mu8 1 144 1 . . 1 1 15 15 TYR H H . . . 1 1 14 14 ALA H H . . . . . 2.5 1.8 2.8 . . . . . A . 15 TYR H . . A . 14 ALA H . 1 . 15 TYR HN . . . 1 . 14 ALA HN . . c25202_2mu8 1 145 1 . . 1 1 18 18 SER H H . . . 1 1 17 17 MET H H . . . . . 2.5 1.8 2.8 . . . . . A . 18 SER H . . A . 17 MET H . 1 . 18 SER HN . . . 1 . 17 MET HN . . c25202_2mu8 1 146 1 . . 1 1 5 5 LYS H H . . . 1 1 6 6 TYR H H . . . . . 3.5 2.8 3.5 . . . . . A . 5 LYS H . . A . 6 TYR H . 1 . 5 LYS HN . . . 1 . 6 TYR HN . . c25202_2mu8 1 147 1 . . 1 1 6 6 TYR H H . . . 1 1 7 7 SER H H . . . . . 2.5 1.8 2.8 . . . . . A . 6 TYR H . . A . 7 SER H . 1 . 6 TYR HN . . . 1 . 7 SER HN . . c25202_2mu8 1 148 1 . . 1 1 15 15 TYR H H . . . 1 1 16 16 ASN H H . . . . . 2.5 1.8 2.8 . . . . . A . 15 TYR H . . A . 16 ASN H . 1 . 15 TYR HN . . . 1 . 16 ASN HN . . c25202_2mu8 1 149 1 . . 1 1 10 10 PHE H H . . . 1 1 10 10 PHE QD H . . . . . 3.5 2.5 5.5 . . . . . A . 10 PHE H . . A . 10 PHE QD . 1 . 10 PHE HN . . . 1 . 10 PHE HD* . . c25202_2mu8 1 150 1 . . 1 1 15 15 TYR H H . . . 1 1 15 15 TYR QD H . . . . . 2.5 1.8 4.5 . . . . . A . 15 TYR H . . A . 15 TYR QD . 1 . 15 TYR HN . . . 1 . 15 TYR HD* . . c25202_2mu8 1 151 1 . . 1 1 7 7 SER H H . . . 1 1 6 6 TYR QD H . . . . . 3.5 2.5 5.5 . . . . . A . 7 SER H . . A . 6 TYR QD . 1 . 7 SER HN . . . 1 . 6 TYR HD* . . c25202_2mu8 1 152 1 . . 1 1 6 6 TYR QD H . . . 1 1 6 6 TYR QE H . . . . . 2.5 1.8 6.5 . . . . . A . 6 TYR QD . . A . 6 TYR QE . 1 . 6 TYR HD* . . . 1 . 6 TYR HE* . . c25202_2mu8 1 153 1 . . 1 1 15 15 TYR QD H . . . 1 1 15 15 TYR QE H . . . . . 2.5 1.8 6.5 . . . . . A . 15 TYR QD . . A . 15 TYR QE . 1 . 15 TYR HD* . . . 1 . 15 TYR HE* . . c25202_2mu8 1 154 1 . . 1 1 15 15 TYR H H . . . 1 1 15 15 TYR QE H . . . . . 3.5 2.5 5.5 . . . . . A . 15 TYR H . . A . 15 TYR QE . 1 . 15 TYR HN . . . 1 . 15 TYR HE* . . c25202_2mu8 1 155 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR QE H . . . . . 3.5 2.5 5.5 . . . . . A . 6 TYR H . . A . 6 TYR QE . 1 . 6 TYR HN . . . 1 . 6 TYR HE* . . c25202_2mu8 1 156 1 . . 1 1 8 8 ASN HD21 H . . . 1 1 8 8 ASN HD22 H . . . . . 2.5 1.8 2.8 . . . . . A . 8 ASN HD21 . . A . 8 ASN HD22 . 1 . 8 ASN HD21 . . . 1 . 8 ASN HD22 . . c25202_2mu8 1 157 1 . . 1 1 13 13 ASN HD21 H . . . 1 1 13 13 ASN HD22 H . . . . . 2.5 1.8 2.8 . . . . . A . 13 ASN HD21 . . A . 13 ASN HD22 . 1 . 13 ASN HD21 . . . 1 . 13 ASN HD22 . . c25202_2mu8 1 158 1 . . 1 1 8 8 ASN H H . . . 1 1 8 8 ASN HD22 H . . . . . 3.5 2.8 3.5 . . . . . A . 8 ASN H . . A . 8 ASN HD22 . 1 . 8 ASN HN . . . 1 . 8 ASN HD22 . . c25202_2mu8 1 159 1 . . 1 1 12 12 ASN H H . . . 1 1 12 12 ASN HD22 H . . . . . 3.5 2.8 3.5 . . . . . A . 12 ASN H . . A . 12 ASN HD22 . 1 . 12 ASN HN . . . 1 . 12 ASN HD22 . . c25202_2mu8 1 160 1 . . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HD21 H . . . . . 5.0 3.5 5.0 . . . . . A . 13 ASN H . . A . 13 ASN HD21 . 1 . 13 ASN HN . . . 1 . 13 ASN HD21 . . c25202_2mu8 1 161 1 . . 1 1 10 10 PHE HB3 H . . . 1 1 10 10 PHE HB2 H . . . . . 2.5 1.8 2.8 . . . . . A . 10 PHE HB3 . . A . 10 PHE HB2 . 1 . 10 PHE HBS . . . 1 . 10 PHE HBR . . c25202_2mu8 1 162 1 . . 1 1 15 15 TYR HB2 H . . . 1 1 15 15 TYR HB3 H . . . . . 2.5 1.8 2.8 . . . . . A . 15 TYR HB2 . . A . 15 TYR HB3 . 1 . 15 TYR HBR . . . 1 . 15 TYR HBS . . c25202_2mu8 1 163 1 . . 1 1 14 14 ALA HA H . . . 1 1 16 16 ASN H H . . . . . 5.0 3.5 5.0 . . . . . A . 14 ALA HA . . A . 16 ASN H . 1 . 14 ALA HA . . . 1 . 16 ASN HN . . c25202_2mu8 1 164 1 . . 1 1 16 16 ASN HA H . . . 1 1 16 16 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 16 ASN HA . . A . 16 ASN H . 1 . 16 ASN HA . . . 1 . 16 ASN HN . . c25202_2mu8 1 165 1 . . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HA H . . . . . 3.5 2.8 3.5 . . . . . A . 20 ARG H . . A . 20 ARG HA . 1 . 20 ARG HN . . . 1 . 20 ARG HA . . c25202_2mu8 1 166 1 . . 1 1 3 3 GLU HA H . . . 1 1 4 4 SER H H . . . . . 2.5 1.8 2.8 . . . . . A . 3 GLU HA . . A . 4 SER H . 1 . 3 GLU HA . . . 1 . 4 SER HN . . c25202_2mu8 1 167 1 . . 1 1 12 12 ASN HA H . . . 1 1 13 13 ASN H H . . . . . 2.5 1.8 2.8 . . . . . A . 12 ASN HA . . A . 13 ASN H . 1 . 12 ASN HA . . . 1 . 13 ASN HN . . c25202_2mu8 1 168 1 . . 1 1 13 13 ASN HA H . . . 1 1 14 14 ALA H H . . . . . 2.5 1.8 2.8 . . . . . A . 13 ASN HA . . A . 14 ALA H . 1 . 13 ASN HA . . . 1 . 14 ALA HN . . c25202_2mu8 1 169 1 . . 1 1 15 15 TYR HA H . . . 1 1 16 16 ASN H H . . . . . 2.5 1.8 2.8 . . . . . A . 15 TYR HA . . A . 16 ASN H . 1 . 15 TYR HA . . . 1 . 16 ASN HN . . c25202_2mu8 1 170 1 . . 1 1 17 17 MET H H . . . 1 1 16 16 ASN HA H . . . . . 2.5 1.8 2.8 . . . . . A . 17 MET H . . A . 16 ASN HA . 1 . 17 MET HN . . . 1 . 16 ASN HA . . c25202_2mu8 1 171 1 . . 1 1 18 18 SER H H . . . 1 1 17 17 MET HA H . . . . . 2.5 1.8 2.8 . . . . . A . 18 SER H . . A . 17 MET HA . 1 . 18 SER HN . . . 1 . 17 MET HA . . c25202_2mu8 1 172 1 . . 1 1 19 19 ILE HA H . . . 1 1 20 20 ARG H H . . . . . 2.5 1.8 2.8 . . . . . A . 19 ILE HA . . A . 20 ARG H . 1 . 19 ILE HA . . . 1 . 20 ARG HN . . c25202_2mu8 1 173 1 . . 1 1 12 12 ASN H H . . . 1 1 13 13 ASN H H . . . . . 2.5 1.8 2.8 . . . . . A . 12 ASN H . . A . 13 ASN H . 1 . 12 ASN HN . . . 1 . 13 ASN HN . . c25202_2mu8 1 174 1 . . 1 1 4 4 SER H H . . . 1 1 5 5 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 4 SER H . . A . 5 LYS H . 1 . 4 SER HN . . . 1 . 5 LYS HN . . c25202_2mu8 1 175 1 . . 1 1 17 17 MET H H . . . 1 1 16 16 ASN H H . . . . . 2.5 1.8 2.8 . . . . . A . 17 MET H . . A . 16 ASN H . 1 . 17 MET HN . . . 1 . 16 ASN HN . . c25202_2mu8 1 176 1 . . 1 1 10 10 PHE H H . . . 1 1 11 11 ILE H H . . . . . 2.5 1.8 2.8 . . . . . A . 10 PHE H . . A . 11 ILE H . 1 . 10 PHE HN . . . 1 . 11 ILE HN . . c25202_2mu8 1 177 1 . . 1 1 3 3 GLU H H . . . 1 1 4 4 SER H H . . . . . 5.0 3.5 5.0 . . . . . A . 3 GLU H . . A . 4 SER H . 1 . 3 GLU HN . . . 1 . 4 SER HN . . c25202_2mu8 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 c25202_2mu8 1 2 medium: 2 87 2 102 c25202_2mu8 1 3 medium: 3 87 3 101 c25202_2mu8 1 4 medium: 4 87 4 101 c25202_2mu8 1 5 medium: 5 87 5 101 c25202_2mu8 1 6 medium: 6 87 6 102 c25202_2mu8 1 7 weak: 7 87 7 103 c25202_2mu8 1 8 weak: 8 87 8 101 c25202_2mu8 1 9 strong: 9 87 9 102 c25202_2mu8 1 10 medium: 10 87 10 103 c25202_2mu8 1 11 medium: 11 87 11 102 c25202_2mu8 1 12 strong: 12 87 12 102 c25202_2mu8 1 13 weak: 13 87 13 102 c25202_2mu8 1 14 medium: 14 87 14 102 c25202_2mu8 1 15 medium: 15 87 15 102 c25202_2mu8 1 16 medium: 16 87 16 102 c25202_2mu8 1 17 medium: 17 87 17 102 c25202_2mu8 1 18 medium: 18 87 18 102 c25202_2mu8 1 19 strong: 19 87 19 102 c25202_2mu8 1 20 strong: 20 87 20 102 c25202_2mu8 1 21 strong: 21 87 21 102 c25202_2mu8 1 22 medium: 22 87 22 102 c25202_2mu8 1 23 medium: 23 87 23 101 c25202_2mu8 1 24 strong: 24 87 24 102 c25202_2mu8 1 25 medium: 25 87 25 102 c25202_2mu8 1 26 medium: 26 87 26 103 c25202_2mu8 1 27 medium: 27 87 27 103 c25202_2mu8 1 28 strong: 28 87 28 103 c25202_2mu8 1 29 strong: 29 87 29 103 c25202_2mu8 1 30 strong: 30 87 30 104 c25202_2mu8 1 31 strong: 31 87 31 102 c25202_2mu8 1 32 strong: 32 87 32 102 c25202_2mu8 1 33 medium: 33 87 33 103 c25202_2mu8 1 34 medium: 34 87 34 101 c25202_2mu8 1 35 medium: 35 87 35 104 c25202_2mu8 1 36 strong: 36 87 36 102 c25202_2mu8 1 37 medium: 37 87 37 102 c25202_2mu8 1 38 medium: 38 87 38 101 c25202_2mu8 1 39 strong: 39 87 39 102 c25202_2mu8 1 40 strong: 40 87 40 102 c25202_2mu8 1 41 strong: 41 87 41 102 c25202_2mu8 1 42 strong: 42 87 42 102 c25202_2mu8 1 43 strong: 43 87 43 102 c25202_2mu8 1 44 strong: 44 87 44 102 c25202_2mu8 1 45 medium: 45 87 45 100 c25202_2mu8 1 46 strong: 46 87 46 102 c25202_2mu8 1 47 strong: 47 87 47 102 c25202_2mu8 1 48 strong: 48 87 48 102 c25202_2mu8 1 49 strong: 49 87 49 102 c25202_2mu8 1 50 strong: 50 87 50 102 c25202_2mu8 1 51 medium: 51 87 51 102 c25202_2mu8 1 52 weak: 52 87 52 102 c25202_2mu8 1 53 weak: 53 87 53 101 c25202_2mu8 1 54 weak: 54 87 54 102 c25202_2mu8 1 55 strong: 55 87 55 102 c25202_2mu8 1 56 strong: 56 87 56 102 c25202_2mu8 1 57 medium: 57 87 57 100 c25202_2mu8 1 58 weak: 58 87 58 102 c25202_2mu8 1 59 strong: 59 87 59 102 c25202_2mu8 1 60 strong: 60 87 60 102 c25202_2mu8 1 61 weak: 61 87 61 99 c25202_2mu8 1 62 weak: 62 87 62 102 c25202_2mu8 1 63 weak: 63 87 63 104 c25202_2mu8 1 64 weak: 64 87 64 99 c25202_2mu8 1 65 weak: 65 87 65 99 c25202_2mu8 1 66 medium: 66 87 66 104 c25202_2mu8 1 67 medium: 67 87 67 102 c25202_2mu8 1 68 medium: 68 87 68 103 c25202_2mu8 1 69 strong: 69 87 69 104 c25202_2mu8 1 70 weak: 70 87 70 101 c25202_2mu8 1 71 strong: 71 87 71 102 c25202_2mu8 1 72 strong: 72 87 72 103 c25202_2mu8 1 73 strong: 73 87 73 103 c25202_2mu8 1 74 strong: 74 87 74 102 c25202_2mu8 1 75 medium: 75 87 75 101 c25202_2mu8 1 76 weak: 76 87 76 101 c25202_2mu8 1 77 medium: 77 87 77 101 c25202_2mu8 1 78 medium: 78 87 78 102 c25202_2mu8 1 79 weak: 79 87 79 100 c25202_2mu8 1 80 medium: 80 87 80 101 c25202_2mu8 1 81 medium: 81 87 81 103 c25202_2mu8 1 82 medium: 82 87 82 101 c25202_2mu8 1 83 strong: 83 87 83 102 c25202_2mu8 1 84 strong: 84 87 84 102 c25202_2mu8 1 85 weak: 85 87 85 101 c25202_2mu8 1 86 weak: 86 87 86 101 c25202_2mu8 1 87 medium: 87 87 87 103 c25202_2mu8 1 88 medium: 88 87 88 102 c25202_2mu8 1 89 weak: 89 87 89 99 c25202_2mu8 1 90 medium: 90 87 90 104 c25202_2mu8 1 91 strong: 91 87 91 102 c25202_2mu8 1 92 strong: 92 87 92 102 c25202_2mu8 1 93 medium: 93 87 93 104 c25202_2mu8 1 94 weak: 94 87 94 99 c25202_2mu8 1 95 weak: 95 87 95 100 c25202_2mu8 1 96 weak: 96 87 96 100 c25202_2mu8 1 97 medium: 97 87 97 102 c25202_2mu8 1 98 weak: 98 87 98 99 c25202_2mu8 1 99 medium: 99 87 99 103 c25202_2mu8 1 100 weak: 100 87 100 100 c25202_2mu8 1 101 medium: 101 87 101 102 c25202_2mu8 1 102 weak: 102 87 102 101 c25202_2mu8 1 103 weak: 103 87 103 101 c25202_2mu8 1 104 weak: 104 87 104 98 c25202_2mu8 1 105 weak: 105 87 105 101 c25202_2mu8 1 106 medium: 106 87 106 100 c25202_2mu8 1 107 weak: 107 87 107 98 c25202_2mu8 1 108 medium: 108 87 108 102 c25202_2mu8 1 109 medium: 109 87 109 104 c25202_2mu8 1 110 weak: 110 87 110 100 c25202_2mu8 1 111 strong: 111 87 111 102 c25202_2mu8 1 112 medium: 112 87 112 102 c25202_2mu8 1 113 medium: 113 87 113 101 c25202_2mu8 1 114 medium: 114 87 114 102 c25202_2mu8 1 115 medium: 115 87 115 105 c25202_2mu8 1 116 medium: 116 87 116 104 c25202_2mu8 1 117 medium: 117 87 117 103 c25202_2mu8 1 118 weak: 118 87 118 100 c25202_2mu8 1 119 strong: 119 87 119 102 c25202_2mu8 1 120 strong: 120 87 120 102 c25202_2mu8 1 121 weak: 121 87 121 100 c25202_2mu8 1 122 strong: 122 87 122 102 c25202_2mu8 1 123 medium: 123 87 123 102 c25202_2mu8 1 124 medium: 124 87 124 102 c25202_2mu8 1 125 weak: 125 87 125 101 c25202_2mu8 1 126 medium: 126 87 126 102 c25202_2mu8 1 127 medium: 127 87 127 101 c25202_2mu8 1 128 medium: 128 87 128 101 c25202_2mu8 1 129 weak: 129 87 129 101 c25202_2mu8 1 130 strong: 130 87 130 102 c25202_2mu8 1 131 strong: 131 87 131 102 c25202_2mu8 1 132 strong: 132 87 132 102 c25202_2mu8 1 133 medium: 133 87 133 101 c25202_2mu8 1 134 weak: 134 87 134 100 c25202_2mu8 1 135 medium: 135 87 135 102 c25202_2mu8 1 136 medium: 136 87 136 103 c25202_2mu8 1 137 medium: 137 87 137 101 c25202_2mu8 1 138 medium: 138 87 138 102 c25202_2mu8 1 139 weak: 139 87 139 97 c25202_2mu8 1 140 weak: 140 87 140 101 c25202_2mu8 1 141 weak: 141 87 141 99 c25202_2mu8 1 142 weak: 142 87 142 98 c25202_2mu8 1 143 weak: 143 87 143 100 c25202_2mu8 1 144 weak: 144 87 144 100 c25202_2mu8 1 145 medium: 145 87 145 102 c25202_2mu8 1 146 medium: 146 87 146 101 c25202_2mu8 1 147 strong: 147 87 147 102 c25202_2mu8 1 148 strong: 148 87 148 102 c25202_2mu8 1 149 strong: 149 87 149 102 c25202_2mu8 1 150 strong: 150 87 150 100 c25202_2mu8 1 151 strong: 151 87 151 102 c25202_2mu8 1 152 strong: 152 87 152 102 c25202_2mu8 1 153 medium: 153 87 153 103 c25202_2mu8 1 154 strong: 154 87 154 102 c25202_2mu8 1 155 strong: 155 87 155 102 c25202_2mu8 1 156 medium: 156 87 156 102 c25202_2mu8 1 157 strong: 157 87 157 102 c25202_2mu8 1 158 medium: 158 87 158 105 c25202_2mu8 1 159 strong: 159 87 159 102 c25202_2mu8 1 160 strong: 160 87 160 102 c25202_2mu8 1 161 medium: 161 87 161 102 c25202_2mu8 1 162 medium: 162 87 162 102 c25202_2mu8 1 163 strong: 163 87 163 102 c25202_2mu8 1 164 strong: 164 87 164 102 c25202_2mu8 1 165 medium: 165 87 165 102 c25202_2mu8 1 166 medium: 166 87 166 101 c25202_2mu8 1 167 weak: 167 87 167 98 c25202_2mu8 1 168 strong: 168 87 168 102 c25202_2mu8 1 169 strong: 169 87 169 102 c25202_2mu8 1 170 weak: 170 87 170 92 c25202_2mu8 1 171 medium: 171 87 171 94 c25202_2mu8 1 172 medium: 172 87 172 95 c25202_2mu8 1 173 strong: 173 87 173 95 c25202_2mu8 1 174 strong: 174 87 174 94 c25202_2mu8 1 175 strong: 175 87 175 94 c25202_2mu8 1 176 strong: 176 87 176 94 c25202_2mu8 1 177 strong: 177 87 177 94 c25202_2mu8 1 178 strong: 178 87 178 94 c25202_2mu8 1 179 strong: 179 87 179 94 c25202_2mu8 1 180 strong: 180 87 180 94 c25202_2mu8 1 181 weak: 181 87 181 93 c25202_2mu8 1 182 weak: 182 87 182 93 c25202_2mu8 1 183 strong: 183 87 183 94 c25202_2mu8 1 184 strong: 184 87 184 94 c25202_2mu8 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" c25202_2mu8 1 2 4 8 1 "Not handling restraint 8, item 1, resonance(s) '1.1.HN' (nmrStar names),'B.1.HA*' (nmrStar names) not linked" c25202_2mu8 1 3 4 12 1 "Not handling restraint 12, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25202_2mu8 1 4 4 50 1 "Not handling restraint 50, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25202_2mu8 1 5 4 99 1 "Not handling restraint 99, item 1, resonance(s) 'B.1.HA*' (nmrStar names) not linked" c25202_2mu8 1 6 4 105 1 "Not handling restraint 105, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25202_2mu8 1 7 4 105 1 "Not handling restraint 105, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25202_2mu8 1 8 4 180 1 "Not handling restraint 180, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25202_2mu8 1 stop_ save_ save_Discover_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c25202_2mu8 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 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 . . . . c25202_2mu8 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 10 10 PHE H H . . . 1 1 7 7 SER O O . . . . . . 1.8 2.5 . . . . . A . 10 PHE H . . A . 7 SER O . 1 . 10 PHE HN . . . 1 . 7 SER O . . c25202_2mu8 2 2 1 . . 1 1 9 9 THR H H . . . 1 1 6 6 TYR O O . . . . . . 1.8 2.5 . . . . . A . 9 THR H . . A . 6 TYR O . 1 . 9 THR HN . . . 1 . 6 TYR O . . c25202_2mu8 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 distance 1 1 1 9 c25202_2mu8 2 stop_ save_ save_Discover_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_6 _Torsion_angle_constraint_list.Entry_ID c25202_2mu8 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c25202_2mu8 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 LYS CA C . . 1 1 1 1 LYS C C . . 1 1 2 2 ASN N N . . 1 1 2 2 ASN CA C . 178.0 180.0 . . . A . 1 LYS CA . . A . 1 LYS C . . A . 2 ASN N . . A . 2 ASN CA . 1 . 1 LYS CA . . . 1 . 1 LYS C . . . 1 . 2 ASN N . . . 1 . 2 ASN CA . . c25202_2mu8 1 2 . . 1 1 2 2 ASN CA C . . 1 1 2 2 ASN C C . . 1 1 3 3 GLU N N . . 1 1 3 3 GLU CA C . 178.0 180.0 . . . A . 2 ASN CA . . A . 2 ASN C . . A . 3 GLU N . . A . 3 GLU CA . 1 . 2 ASN CA . . . 1 . 2 ASN C . . . 1 . 3 GLU N . . . 1 . 3 GLU CA . . c25202_2mu8 1 3 . . 1 1 3 3 GLU CA C . . 1 1 3 3 GLU C C . . 1 1 4 4 SER N N . . 1 1 4 4 SER CA C . 178.0 180.0 . . . A . 3 GLU CA . . A . 3 GLU C . . A . 4 SER N . . A . 4 SER CA . 1 . 3 GLU CA . . . 1 . 3 GLU C . . . 1 . 4 SER N . . . 1 . 4 SER CA . . c25202_2mu8 1 4 . . 1 1 4 4 SER CA C . . 1 1 4 4 SER C C . . 1 1 5 5 LYS N N . . 1 1 5 5 LYS CA C . 178.0 180.0 . . . A . 4 SER CA . . A . 4 SER C . . A . 5 LYS N . . A . 5 LYS CA . 1 . 4 SER CA . . . 1 . 4 SER C . . . 1 . 5 LYS N . . . 1 . 5 LYS CA . . c25202_2mu8 1 5 . . 1 1 5 5 LYS CA C . . 1 1 5 5 LYS C C . . 1 1 6 6 TYR N N . . 1 1 6 6 TYR CA C . 178.0 180.0 . . . A . 5 LYS CA . . A . 5 LYS C . . A . 6 TYR N . . A . 6 TYR CA . 1 . 5 LYS CA . . . 1 . 5 LYS C . . . 1 . 6 TYR N . . . 1 . 6 TYR CA . . c25202_2mu8 1 6 . . 1 1 6 6 TYR CA C . . 1 1 6 6 TYR C C . . 1 1 7 7 SER N N . . 1 1 7 7 SER CA C . 178.0 180.0 . . . A . 6 TYR CA . . A . 6 TYR C . . A . 7 SER N . . A . 7 SER CA . 1 . 6 TYR CA . . . 1 . 6 TYR C . . . 1 . 7 SER N . . . 1 . 7 SER CA . . c25202_2mu8 1 7 . . 1 1 7 7 SER CA C . . 1 1 7 7 SER C C . . 1 1 8 8 ASN N N . . 1 1 8 8 ASN CA C . 178.0 180.0 . . . A . 7 SER CA . . A . 7 SER C . . A . 8 ASN N . . A . 8 ASN CA . 1 . 7 SER CA . . . 1 . 7 SER C . . . 1 . 8 ASN N . . . 1 . 8 ASN CA . . c25202_2mu8 1 8 . . 1 1 8 8 ASN CA C . . 1 1 8 8 ASN C C . . 1 1 9 9 THR N N . . 1 1 9 9 THR CA C . 178.0 180.0 . . . A . 8 ASN CA . . A . 8 ASN C . . A . 9 THR N . . A . 9 THR CA . 1 . 8 ASN CA . . . 1 . 8 ASN C . . . 1 . 9 THR N . . . 1 . 9 THR CA . . c25202_2mu8 1 9 . . 1 1 9 9 THR CA C . . 1 1 9 9 THR C C . . 1 1 10 10 PHE N N . . 1 1 10 10 PHE CA C . 178.0 180.0 . . . A . 9 THR CA . . A . 9 THR C . . A . 10 PHE N . . A . 10 PHE CA . 1 . 9 THR CA . . . 1 . 9 THR C . . . 1 . 10 PHE N . . . 1 . 10 PHE CA . . c25202_2mu8 1 10 . . 1 1 10 10 PHE CA C . . 1 1 10 10 PHE C C . . 1 1 11 11 ILE N N . . 1 1 11 11 ILE CA C . 178.0 180.0 . . . A . 10 PHE CA . . A . 10 PHE C . . A . 11 ILE N . . A . 11 ILE CA . 1 . 10 PHE CA . . . 1 . 10 PHE C . . . 1 . 11 ILE N . . . 1 . 11 ILE CA . . c25202_2mu8 1 11 . . 1 1 11 11 ILE CA C . . 1 1 11 11 ILE C C . . 1 1 12 12 ASN N N . . 1 1 12 12 ASN CA C . 178.0 180.0 . . . A . 11 ILE CA . . A . 11 ILE C . . A . 12 ASN N . . A . 12 ASN CA . 1 . 11 ILE CA . . . 1 . 11 ILE C . . . 1 . 12 ASN N . . . 1 . 12 ASN CA . . c25202_2mu8 1 12 . . 1 1 12 12 ASN CA C . . 1 1 12 12 ASN C C . . 1 1 13 13 ASN N N . . 1 1 13 13 ASN CA C . 178.0 180.0 . . . A . 12 ASN CA . . A . 12 ASN C . . A . 13 ASN N . . A . 13 ASN CA . 1 . 12 ASN CA . . . 1 . 12 ASN C . . . 1 . 13 ASN N . . . 1 . 13 ASN CA . . c25202_2mu8 1 13 . . 1 1 13 13 ASN CA C . . 1 1 13 13 ASN C C . . 1 1 14 14 ALA N N . . 1 1 14 14 ALA CA C . 178.0 180.0 . . . A . 13 ASN CA . . A . 13 ASN C . . A . 14 ALA N . . A . 14 ALA CA . 1 . 13 ASN CA . . . 1 . 13 ASN C . . . 1 . 14 ALA N . . . 1 . 14 ALA CA . . c25202_2mu8 1 14 . . 1 1 14 14 ALA CA C . . 1 1 14 14 ALA C C . . 1 1 15 15 TYR N N . . 1 1 15 15 TYR CA C . 178.0 180.0 . . . A . 14 ALA CA . . A . 14 ALA C . . A . 15 TYR N . . A . 15 TYR CA . 1 . 14 ALA CA . . . 1 . 14 ALA C . . . 1 . 15 TYR N . . . 1 . 15 TYR CA . . c25202_2mu8 1 15 . . 1 1 15 15 TYR CA C . . 1 1 15 15 TYR C C . . 1 1 16 16 ASN N N . . 1 1 16 16 ASN CA C . 178.0 180.0 . . . A . 15 TYR CA . . A . 15 TYR C . . A . 16 ASN N . . A . 16 ASN CA . 1 . 15 TYR CA . . . 1 . 15 TYR C . . . 1 . 16 ASN N . . . 1 . 16 ASN CA . . c25202_2mu8 1 16 . . 1 1 16 16 ASN CA C . . 1 1 16 16 ASN C C . . 1 1 17 17 MET N N . . 1 1 17 17 MET CA C . 178.0 180.0 . . . A . 16 ASN CA . . A . 16 ASN C . . A . 17 MET N . . A . 17 MET CA . 1 . 16 ASN CA . . . 1 . 16 ASN C . . . 1 . 17 MET N . . . 1 . 17 MET CA . . c25202_2mu8 1 17 . . 1 1 17 17 MET CA C . . 1 1 17 17 MET C C . . 1 1 18 18 SER N N . . 1 1 18 18 SER CA C . 178.0 180.0 . . . A . 17 MET CA . . A . 17 MET C . . A . 18 SER N . . A . 18 SER CA . 1 . 17 MET CA . . . 1 . 17 MET C . . . 1 . 18 SER N . . . 1 . 18 SER CA . . c25202_2mu8 1 18 . . 1 1 18 18 SER CA C . . 1 1 18 18 SER C C . . 1 1 19 19 ILE N N . . 1 1 19 19 ILE CA C . 178.0 180.0 . . . A . 18 SER CA . . A . 18 SER C . . A . 19 ILE N . . A . 19 ILE CA . 1 . 18 SER CA . . . 1 . 18 SER C . . . 1 . 19 ILE N . . . 1 . 19 ILE CA . . c25202_2mu8 1 19 . . 1 1 19 19 ILE CA C . . 1 1 19 19 ILE C C . . 1 1 20 20 ARG N N . . 1 1 20 20 ARG CA C . 178.0 180.0 . . . A . 19 ILE CA . . A . 19 ILE C . . A . 20 ARG N . . A . 20 ARG CA . 1 . 19 ILE CA . . . 1 . 19 ILE C . . . 1 . 20 ARG N . . . 1 . 20 ARG CA . . c25202_2mu8 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 NMR_dihedral 1 1 1 13 c25202_2mu8 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 c25202_2mu8 _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 CELL INVASION 04-SEP-14 2MU8 *TITLE DISTORTING MALARIA PEPTIDE BACKBONE STRUCTURE TO ENABLE FITTING INTO *TITLE 2 MHC CLASS II MOLECULES RENDERS MODIFIED PEPTIDES IMMUNOGENIC AND *TITLE 3 PROTECTIVE. *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: MSP-2 PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; *SOURCE 4 ORGANISM_TAXID: 5833; *SOURCE 5 OTHER_DETAILS: SYNTHETIC PEPTIDE OF 20 RESIDUES LENGTH FROM MSP-2 *SOURCE 6 PROTEIN OF PLASMODIUM FALCIPARUM *KEYWDS MEROZOITE SURFACE PROTEIN 2, CLASSIC BETA-TURN, CELL INVASION *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR G.CIFUENTES, M.E.PATARROYO, M.URQUIZA, L.E.RAMIREZ, C.REYES, *AUTHOR 2 R.RODRIGUEZ *REVDAT 1 12-NOV-14 2MU8 0' save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_framecode MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c25202_2mu8 _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; #mixing_times 3.000000E+02 ! ; save_