data_34452 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34452 _Entry.Title ; Reconstructing the Origins of the HemD-like fold ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-19 _Entry.Accession_date 2019-11-19 _Entry.Last_release_date 2019-11-21 _Entry.Original_release_date 2019-11-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34452 stop_ 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.ORCID _Entry_author.Entry_ID 1 M. Coles M. . . . 34452 2 S. Toledo-Patino S. . . . 34452 3 M. Chaubey M. . . . 34452 4 B. Hocker B. . . . 34452 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FLAVOPROTEIN . 34452 'HemD-like fold' . 34452 'flavodoxin-like fold' . 34452 'protein design' . 34452 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34452 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 477 34452 '15N chemical shifts' 109 34452 '1H chemical shifts' 817 34452 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 . . 2019-11-22 . original BMRB . 34452 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TH8 . 34452 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34452 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.9b00900 _Citation.PubMed_ID 31724394 _Citation.Full_citation . _Citation.Title ; Reconstructing the Remote Origins of a Fold Singleton from a Flavodoxin-Like Ancestor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM BICHAW _Citation.Journal_ISSN 0006-2960 _Citation.Journal_CSD 0033 _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 . _Citation.Page_last . _Citation.Year 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Toledo-Patino S. . . . 34452 1 2 M. Chaubey M. . . . 34452 1 3 M. Coles M. . . . 34452 1 4 B. Hoecker B. . . . 34452 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34452 _Assembly.ID 1 _Assembly.Name cU3Sd _Assembly.BMRB_code . _Assembly.Number_of_components . _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 1 $entity_1 A A yes . . . . . . 34452 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34452 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MDPKVLIMRGEGGREFLAER LRGQGVQVDYLPLDYPAGEL LARVRAERLNGLVVSSGQGL QNLYQLAAADWPEIGRLPLF VPSPRVAEMARELGAQRVID CRGASAPALLAALTSAALEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13651.649 _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 . MET . 34452 1 2 . ASP . 34452 1 3 . PRO . 34452 1 4 . LYS . 34452 1 5 . VAL . 34452 1 6 . LEU . 34452 1 7 . ILE . 34452 1 8 . MET . 34452 1 9 . ARG . 34452 1 10 . GLY . 34452 1 11 . GLU . 34452 1 12 . GLY . 34452 1 13 . GLY . 34452 1 14 . ARG . 34452 1 15 . GLU . 34452 1 16 . PHE . 34452 1 17 . LEU . 34452 1 18 . ALA . 34452 1 19 . GLU . 34452 1 20 . ARG . 34452 1 21 . LEU . 34452 1 22 . ARG . 34452 1 23 . GLY . 34452 1 24 . GLN . 34452 1 25 . GLY . 34452 1 26 . VAL . 34452 1 27 . GLN . 34452 1 28 . VAL . 34452 1 29 . ASP . 34452 1 30 . TYR . 34452 1 31 . LEU . 34452 1 32 . PRO . 34452 1 33 . LEU . 34452 1 34 . ASP . 34452 1 35 . TYR . 34452 1 36 . PRO . 34452 1 37 . ALA . 34452 1 38 . GLY . 34452 1 39 . GLU . 34452 1 40 . LEU . 34452 1 41 . LEU . 34452 1 42 . ALA . 34452 1 43 . ARG . 34452 1 44 . VAL . 34452 1 45 . ARG . 34452 1 46 . ALA . 34452 1 47 . GLU . 34452 1 48 . ARG . 34452 1 49 . LEU . 34452 1 50 . ASN . 34452 1 51 . GLY . 34452 1 52 . LEU . 34452 1 53 . VAL . 34452 1 54 . VAL . 34452 1 55 . SER . 34452 1 56 . SER . 34452 1 57 . GLY . 34452 1 58 . GLN . 34452 1 59 . GLY . 34452 1 60 . LEU . 34452 1 61 . GLN . 34452 1 62 . ASN . 34452 1 63 . LEU . 34452 1 64 . TYR . 34452 1 65 . GLN . 34452 1 66 . LEU . 34452 1 67 . ALA . 34452 1 68 . ALA . 34452 1 69 . ALA . 34452 1 70 . ASP . 34452 1 71 . TRP . 34452 1 72 . PRO . 34452 1 73 . GLU . 34452 1 74 . ILE . 34452 1 75 . GLY . 34452 1 76 . ARG . 34452 1 77 . LEU . 34452 1 78 . PRO . 34452 1 79 . LEU . 34452 1 80 . PHE . 34452 1 81 . VAL . 34452 1 82 . PRO . 34452 1 83 . SER . 34452 1 84 . PRO . 34452 1 85 . ARG . 34452 1 86 . VAL . 34452 1 87 . ALA . 34452 1 88 . GLU . 34452 1 89 . MET . 34452 1 90 . ALA . 34452 1 91 . ARG . 34452 1 92 . GLU . 34452 1 93 . LEU . 34452 1 94 . GLY . 34452 1 95 . ALA . 34452 1 96 . GLN . 34452 1 97 . ARG . 34452 1 98 . VAL . 34452 1 99 . ILE . 34452 1 100 . ASP . 34452 1 101 . CYS . 34452 1 102 . ARG . 34452 1 103 . GLY . 34452 1 104 . ALA . 34452 1 105 . SER . 34452 1 106 . ALA . 34452 1 107 . PRO . 34452 1 108 . ALA . 34452 1 109 . LEU . 34452 1 110 . LEU . 34452 1 111 . ALA . 34452 1 112 . ALA . 34452 1 113 . LEU . 34452 1 114 . THR . 34452 1 115 . SER . 34452 1 116 . ALA . 34452 1 117 . ALA . 34452 1 118 . LEU . 34452 1 119 . GLU . 34452 1 120 . HIS . 34452 1 121 . HIS . 34452 1 122 . HIS . 34452 1 123 . HIS . 34452 1 124 . HIS . 34452 1 125 . HIS . 34452 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 . MET 1 1 34452 1 . ASP 2 2 34452 1 . PRO 3 3 34452 1 . LYS 4 4 34452 1 . VAL 5 5 34452 1 . LEU 6 6 34452 1 . ILE 7 7 34452 1 . MET 8 8 34452 1 . ARG 9 9 34452 1 . GLY 10 10 34452 1 . GLU 11 11 34452 1 . GLY 12 12 34452 1 . GLY 13 13 34452 1 . ARG 14 14 34452 1 . GLU 15 15 34452 1 . PHE 16 16 34452 1 . LEU 17 17 34452 1 . ALA 18 18 34452 1 . GLU 19 19 34452 1 . ARG 20 20 34452 1 . LEU 21 21 34452 1 . ARG 22 22 34452 1 . GLY 23 23 34452 1 . GLN 24 24 34452 1 . GLY 25 25 34452 1 . VAL 26 26 34452 1 . GLN 27 27 34452 1 . VAL 28 28 34452 1 . ASP 29 29 34452 1 . TYR 30 30 34452 1 . LEU 31 31 34452 1 . PRO 32 32 34452 1 . LEU 33 33 34452 1 . ASP 34 34 34452 1 . TYR 35 35 34452 1 . PRO 36 36 34452 1 . ALA 37 37 34452 1 . GLY 38 38 34452 1 . GLU 39 39 34452 1 . LEU 40 40 34452 1 . LEU 41 41 34452 1 . ALA 42 42 34452 1 . ARG 43 43 34452 1 . VAL 44 44 34452 1 . ARG 45 45 34452 1 . ALA 46 46 34452 1 . GLU 47 47 34452 1 . ARG 48 48 34452 1 . LEU 49 49 34452 1 . ASN 50 50 34452 1 . GLY 51 51 34452 1 . LEU 52 52 34452 1 . VAL 53 53 34452 1 . VAL 54 54 34452 1 . SER 55 55 34452 1 . SER 56 56 34452 1 . GLY 57 57 34452 1 . GLN 58 58 34452 1 . GLY 59 59 34452 1 . LEU 60 60 34452 1 . GLN 61 61 34452 1 . ASN 62 62 34452 1 . LEU 63 63 34452 1 . TYR 64 64 34452 1 . GLN 65 65 34452 1 . LEU 66 66 34452 1 . ALA 67 67 34452 1 . ALA 68 68 34452 1 . ALA 69 69 34452 1 . ASP 70 70 34452 1 . TRP 71 71 34452 1 . PRO 72 72 34452 1 . GLU 73 73 34452 1 . ILE 74 74 34452 1 . GLY 75 75 34452 1 . ARG 76 76 34452 1 . LEU 77 77 34452 1 . PRO 78 78 34452 1 . LEU 79 79 34452 1 . PHE 80 80 34452 1 . VAL 81 81 34452 1 . PRO 82 82 34452 1 . SER 83 83 34452 1 . PRO 84 84 34452 1 . ARG 85 85 34452 1 . VAL 86 86 34452 1 . ALA 87 87 34452 1 . GLU 88 88 34452 1 . MET 89 89 34452 1 . ALA 90 90 34452 1 . ARG 91 91 34452 1 . GLU 92 92 34452 1 . LEU 93 93 34452 1 . GLY 94 94 34452 1 . ALA 95 95 34452 1 . GLN 96 96 34452 1 . ARG 97 97 34452 1 . VAL 98 98 34452 1 . ILE 99 99 34452 1 . ASP 100 100 34452 1 . CYS 101 101 34452 1 . ARG 102 102 34452 1 . GLY 103 103 34452 1 . ALA 104 104 34452 1 . SER 105 105 34452 1 . ALA 106 106 34452 1 . PRO 107 107 34452 1 . ALA 108 108 34452 1 . LEU 109 109 34452 1 . LEU 110 110 34452 1 . ALA 111 111 34452 1 . ALA 112 112 34452 1 . LEU 113 113 34452 1 . THR 114 114 34452 1 . SER 115 115 34452 1 . ALA 116 116 34452 1 . ALA 117 117 34452 1 . LEU 118 118 34452 1 . GLU 119 119 34452 1 . HIS 120 120 34452 1 . HIS 121 121 34452 1 . HIS 122 122 34452 1 . HIS 123 123 34452 1 . HIS 124 124 34452 1 . HIS 125 125 34452 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 34452 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . 34452 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 34452 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34452 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34452 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '29 mM [U-13C; U-15N] cU3Sd, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 cU3Sd '[U-13C; U-15N]' . . 1 $entity_1 . . 29 . . mM . . . . 34452 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 34452 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 'ionic strength' 1 . 'Not defined' 34452 1 pH 8 . pH 34452 1 pressure 1 . atm 34452 1 temperature 288 . K 34452 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34452 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34452 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34452 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34452 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34452 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34452 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34452 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34452 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34452 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34452 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34452 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34452 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34452 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34452 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 34452 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34452 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34452 1 3 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34452 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34452 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34452 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34452 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34452 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34452 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34452 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 34452 1 2 '3D HNCA' . . . 34452 1 3 '3D H(CCO)NH' . . . 34452 1 4 '3D HCCH-TOCSY' . . . 34452 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.Ambiguity_set_ID _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 MET HE1 H 1 1.87 0.02 . 1 . . . . A 1 MET HE1 . 34452 1 2 . 1 1 1 1 MET HE2 H 1 1.87 0.02 . 1 . . . . A 1 MET HE2 . 34452 1 3 . 1 1 1 1 MET HE3 H 1 1.87 0.02 . 1 . . . . A 1 MET HE3 . 34452 1 4 . 1 1 1 1 MET CE C 13 16.60 0.05 . 1 . . . . A 1 MET CE . 34452 1 5 . 1 1 2 2 ASP HA H 1 3.67 0.02 . 1 . . . . A 2 ASP HA . 34452 1 6 . 1 1 2 2 ASP HB2 H 1 2.68 0.02 . 2 . . . . A 2 ASP HB2 . 34452 1 7 . 1 1 2 2 ASP HB3 H 1 2.56 0.02 . 2 . . . . A 2 ASP HB3 . 34452 1 8 . 1 1 2 2 ASP CA C 13 57.11 0.05 . 1 . . . . A 2 ASP CA . 34452 1 9 . 1 1 2 2 ASP CB C 13 40.25 0.05 . 1 . . . . A 2 ASP CB . 34452 1 10 . 1 1 3 3 PRO HA H 1 4.39 0.02 . 1 . . . . A 3 PRO HA . 34452 1 11 . 1 1 3 3 PRO HB2 H 1 1.89 0.02 . 2 . . . . A 3 PRO HB2 . 34452 1 12 . 1 1 3 3 PRO HB3 H 1 1.50 0.02 . 2 . . . . A 3 PRO HB3 . 34452 1 13 . 1 1 3 3 PRO HG2 H 1 1.79 0.02 . 2 . . . . A 3 PRO HG2 . 34452 1 14 . 1 1 3 3 PRO HG3 H 1 1.74 0.02 . 2 . . . . A 3 PRO HG3 . 34452 1 15 . 1 1 3 3 PRO HD2 H 1 3.72 0.02 . 2 . . . . A 3 PRO HD2 . 34452 1 16 . 1 1 3 3 PRO HD3 H 1 3.62 0.02 . 2 . . . . A 3 PRO HD3 . 34452 1 17 . 1 1 3 3 PRO CA C 13 62.47 0.05 . 1 . . . . A 3 PRO CA . 34452 1 18 . 1 1 3 3 PRO CB C 13 32.35 0.05 . 1 . . . . A 3 PRO CB . 34452 1 19 . 1 1 3 3 PRO CG C 13 27.54 0.05 . 1 . . . . A 3 PRO CG . 34452 1 20 . 1 1 3 3 PRO CD C 13 50.10 0.05 . 1 . . . . A 3 PRO CD . 34452 1 21 . 1 1 4 4 LYS H H 1 8.82 0.02 . 1 . . . . A 4 LYS H . 34452 1 22 . 1 1 4 4 LYS HA H 1 5.05 0.02 . 1 . . . . A 4 LYS HA . 34452 1 23 . 1 1 4 4 LYS HB2 H 1 1.46 0.02 . 1 . . . . A 4 LYS HB2 . 34452 1 24 . 1 1 4 4 LYS HB3 H 1 1.67 0.02 . 1 . . . . A 4 LYS HB3 . 34452 1 25 . 1 1 4 4 LYS HG2 H 1 1.11 0.02 . 2 . . . . A 4 LYS HG2 . 34452 1 26 . 1 1 4 4 LYS HG3 H 1 0.96 0.02 . 2 . . . . A 4 LYS HG3 . 34452 1 27 . 1 1 4 4 LYS HD2 H 1 1.46 0.02 . 2 . . . . A 4 LYS HD2 . 34452 1 28 . 1 1 4 4 LYS HD3 H 1 1.43 0.02 . 2 . . . . A 4 LYS HD3 . 34452 1 29 . 1 1 4 4 LYS HE2 H 1 2.69 0.02 . 2 . . . . A 4 LYS HE2 . 34452 1 30 . 1 1 4 4 LYS HE3 H 1 2.60 0.02 . 2 . . . . A 4 LYS HE3 . 34452 1 31 . 1 1 4 4 LYS C C 13 175.27 0.05 . 1 . . . . A 4 LYS C . 34452 1 32 . 1 1 4 4 LYS CA C 13 55.08 0.05 . 1 . . . . A 4 LYS CA . 34452 1 33 . 1 1 4 4 LYS CB C 13 35.95 0.05 . 1 . . . . A 4 LYS CB . 34452 1 34 . 1 1 4 4 LYS CG C 13 24.71 0.05 . 1 . . . . A 4 LYS CG . 34452 1 35 . 1 1 4 4 LYS CD C 13 29.29 0.05 . 1 . . . . A 4 LYS CD . 34452 1 36 . 1 1 4 4 LYS CE C 13 41.98 0.05 . 1 . . . . A 4 LYS CE . 34452 1 37 . 1 1 4 4 LYS N N 15 123.32 0.05 . 1 . . . . A 4 LYS N . 34452 1 38 . 1 1 5 5 VAL H H 1 8.39 0.02 . 1 . . . . A 5 VAL H . 34452 1 39 . 1 1 5 5 VAL HA H 1 4.94 0.02 . 1 . . . . A 5 VAL HA . 34452 1 40 . 1 1 5 5 VAL HB H 1 1.49 0.02 . 1 . . . . A 5 VAL HB . 34452 1 41 . 1 1 5 5 VAL HG11 H 1 0.31 0.02 . 1 . . . . A 5 VAL HG11 . 34452 1 42 . 1 1 5 5 VAL HG12 H 1 0.31 0.02 . 1 . . . . A 5 VAL HG12 . 34452 1 43 . 1 1 5 5 VAL HG13 H 1 0.31 0.02 . 1 . . . . A 5 VAL HG13 . 34452 1 44 . 1 1 5 5 VAL HG21 H 1 0.34 0.02 . 1 . . . . A 5 VAL HG21 . 34452 1 45 . 1 1 5 5 VAL HG22 H 1 0.34 0.02 . 1 . . . . A 5 VAL HG22 . 34452 1 46 . 1 1 5 5 VAL HG23 H 1 0.34 0.02 . 1 . . . . A 5 VAL HG23 . 34452 1 47 . 1 1 5 5 VAL C C 13 173.46 0.05 . 1 . . . . A 5 VAL C . 34452 1 48 . 1 1 5 5 VAL CA C 13 57.90 0.05 . 1 . . . . A 5 VAL CA . 34452 1 49 . 1 1 5 5 VAL CB C 13 35.56 0.05 . 1 . . . . A 5 VAL CB . 34452 1 50 . 1 1 5 5 VAL CG1 C 13 21.59 0.05 . 1 . . . . A 5 VAL CG1 . 34452 1 51 . 1 1 5 5 VAL CG2 C 13 19.47 0.05 . 1 . . . . A 5 VAL CG2 . 34452 1 52 . 1 1 5 5 VAL N N 15 115.38 0.05 . 1 . . . . A 5 VAL N . 34452 1 53 . 1 1 6 6 LEU H H 1 7.49 0.02 . 1 . . . . A 6 LEU H . 34452 1 54 . 1 1 6 6 LEU HA H 1 4.82 0.02 . 1 . . . . A 6 LEU HA . 34452 1 55 . 1 1 6 6 LEU HB2 H 1 1.42 0.02 . 2 . . . . A 6 LEU HB2 . 34452 1 56 . 1 1 6 6 LEU HB3 H 1 1.30 0.02 . 2 . . . . A 6 LEU HB3 . 34452 1 57 . 1 1 6 6 LEU HG H 1 1.23 0.02 . 1 . . . . A 6 LEU HG . 34452 1 58 . 1 1 6 6 LEU HD11 H 1 0.47 0.02 . 2 . . . . A 6 LEU HD11 . 34452 1 59 . 1 1 6 6 LEU HD12 H 1 0.47 0.02 . 2 . . . . A 6 LEU HD12 . 34452 1 60 . 1 1 6 6 LEU HD13 H 1 0.47 0.02 . 2 . . . . A 6 LEU HD13 . 34452 1 61 . 1 1 6 6 LEU HD21 H 1 0.49 0.02 . 2 . . . . A 6 LEU HD21 . 34452 1 62 . 1 1 6 6 LEU HD22 H 1 0.49 0.02 . 2 . . . . A 6 LEU HD22 . 34452 1 63 . 1 1 6 6 LEU HD23 H 1 0.49 0.02 . 2 . . . . A 6 LEU HD23 . 34452 1 64 . 1 1 6 6 LEU C C 13 174.68 0.05 . 1 . . . . A 6 LEU C . 34452 1 65 . 1 1 6 6 LEU CA C 13 52.46 0.05 . 1 . . . . A 6 LEU CA . 34452 1 66 . 1 1 6 6 LEU CB C 13 45.07 0.05 . 1 . . . . A 6 LEU CB . 34452 1 67 . 1 1 6 6 LEU CG C 13 26.53 0.05 . 1 . . . . A 6 LEU CG . 34452 1 68 . 1 1 6 6 LEU CD1 C 13 24.18 0.05 . 2 . . . . A 6 LEU CD1 . 34452 1 69 . 1 1 6 6 LEU CD2 C 13 24.98 0.05 . 2 . . . . A 6 LEU CD2 . 34452 1 70 . 1 1 6 6 LEU N N 15 121.47 0.05 . 1 . . . . A 6 LEU N . 34452 1 71 . 1 1 7 7 ILE H H 1 8.55 0.02 . 1 . . . . A 7 ILE H . 34452 1 72 . 1 1 7 7 ILE HA H 1 4.42 0.02 . 1 . . . . A 7 ILE HA . 34452 1 73 . 1 1 7 7 ILE HB H 1 1.18 0.02 . 1 . . . . A 7 ILE HB . 34452 1 74 . 1 1 7 7 ILE HG12 H 1 0.97 0.02 . 2 . . . . A 7 ILE HG12 . 34452 1 75 . 1 1 7 7 ILE HG13 H 1 0.56 0.02 . 2 . . . . A 7 ILE HG13 . 34452 1 76 . 1 1 7 7 ILE HG21 H 1 0.48 0.02 . 1 . . . . A 7 ILE HG21 . 34452 1 77 . 1 1 7 7 ILE HG22 H 1 0.48 0.02 . 1 . . . . A 7 ILE HG22 . 34452 1 78 . 1 1 7 7 ILE HG23 H 1 0.48 0.02 . 1 . . . . A 7 ILE HG23 . 34452 1 79 . 1 1 7 7 ILE HD11 H 1 0.29 0.02 . 1 . . . . A 7 ILE HD11 . 34452 1 80 . 1 1 7 7 ILE HD12 H 1 0.29 0.02 . 1 . . . . A 7 ILE HD12 . 34452 1 81 . 1 1 7 7 ILE HD13 H 1 0.29 0.02 . 1 . . . . A 7 ILE HD13 . 34452 1 82 . 1 1 7 7 ILE C C 13 175.16 0.05 . 1 . . . . A 7 ILE C . 34452 1 83 . 1 1 7 7 ILE CA C 13 59.30 0.05 . 1 . . . . A 7 ILE CA . 34452 1 84 . 1 1 7 7 ILE CB C 13 38.84 0.05 . 1 . . . . A 7 ILE CB . 34452 1 85 . 1 1 7 7 ILE CG1 C 13 26.83 0.05 . 1 . . . . A 7 ILE CG1 . 34452 1 86 . 1 1 7 7 ILE CG2 C 13 16.47 0.05 . 1 . . . . A 7 ILE CG2 . 34452 1 87 . 1 1 7 7 ILE CD1 C 13 13.16 0.05 . 1 . . . . A 7 ILE CD1 . 34452 1 88 . 1 1 7 7 ILE N N 15 123.22 0.05 . 1 . . . . A 7 ILE N . 34452 1 89 . 1 1 8 8 MET H H 1 8.33 0.02 . 1 . . . . A 8 MET H . 34452 1 90 . 1 1 8 8 MET HA H 1 4.71 0.02 . 1 . . . . A 8 MET HA . 34452 1 91 . 1 1 8 8 MET HB2 H 1 2.19 0.02 . 2 . . . . A 8 MET HB2 . 34452 1 92 . 1 1 8 8 MET HB3 H 1 1.81 0.02 . 2 . . . . A 8 MET HB3 . 34452 1 93 . 1 1 8 8 MET HG2 H 1 2.60 0.02 . 2 . . . . A 8 MET HG2 . 34452 1 94 . 1 1 8 8 MET HG3 H 1 2.49 0.02 . 2 . . . . A 8 MET HG3 . 34452 1 95 . 1 1 8 8 MET HE1 H 1 1.87 0.02 . 1 . . . . A 8 MET HE1 . 34452 1 96 . 1 1 8 8 MET HE2 H 1 1.87 0.02 . 1 . . . . A 8 MET HE2 . 34452 1 97 . 1 1 8 8 MET HE3 H 1 1.87 0.02 . 1 . . . . A 8 MET HE3 . 34452 1 98 . 1 1 8 8 MET C C 13 176.05 0.05 . 1 . . . . A 8 MET C . 34452 1 99 . 1 1 8 8 MET CA C 13 53.86 0.05 . 1 . . . . A 8 MET CA . 34452 1 100 . 1 1 8 8 MET CB C 13 32.19 0.05 . 1 . . . . A 8 MET CB . 34452 1 101 . 1 1 8 8 MET CG C 13 31.86 0.05 . 1 . . . . A 8 MET CG . 34452 1 102 . 1 1 8 8 MET CE C 13 17.41 0.05 . 1 . . . . A 8 MET CE . 34452 1 103 . 1 1 8 8 MET N N 15 126.02 0.05 . 1 . . . . A 8 MET N . 34452 1 104 . 1 1 9 9 ARG H H 1 8.75 0.02 . 1 . . . . A 9 ARG H . 34452 1 105 . 1 1 9 9 ARG HA H 1 4.14 0.02 . 1 . . . . A 9 ARG HA . 34452 1 106 . 1 1 9 9 ARG HB2 H 1 1.70 0.02 . 2 . . . . A 9 ARG HB2 . 34452 1 107 . 1 1 9 9 ARG HB3 H 1 1.50 0.02 . 2 . . . . A 9 ARG HB3 . 34452 1 108 . 1 1 9 9 ARG HG2 H 1 1.66 0.02 . 2 . . . . A 9 ARG HG2 . 34452 1 109 . 1 1 9 9 ARG HG3 H 1 1.49 0.02 . 2 . . . . A 9 ARG HG3 . 34452 1 110 . 1 1 9 9 ARG HD2 H 1 2.95 0.02 . 1 . . . . A 9 ARG HD2 . 34452 1 111 . 1 1 9 9 ARG HD3 H 1 2.95 0.02 . 1 . . . . A 9 ARG HD3 . 34452 1 112 . 1 1 9 9 ARG C C 13 175.94 0.05 . 1 . . . . A 9 ARG C . 34452 1 113 . 1 1 9 9 ARG CA C 13 57.23 0.05 . 1 . . . . A 9 ARG CA . 34452 1 114 . 1 1 9 9 ARG CB C 13 31.05 0.05 . 1 . . . . A 9 ARG CB . 34452 1 115 . 1 1 9 9 ARG CG C 13 27.95 0.05 . 1 . . . . A 9 ARG CG . 34452 1 116 . 1 1 9 9 ARG CD C 13 43.01 0.05 . 1 . . . . A 9 ARG CD . 34452 1 117 . 1 1 9 9 ARG N N 15 127.63 0.05 . 1 . . . . A 9 ARG N . 34452 1 118 . 1 1 10 10 GLY H H 1 8.64 0.02 . 1 . . . . A 10 GLY H . 34452 1 119 . 1 1 10 10 GLY HA2 H 1 3.72 0.02 . 1 . . . . A 10 GLY HA2 . 34452 1 120 . 1 1 10 10 GLY HA3 H 1 3.98 0.02 . 1 . . . . A 10 GLY HA3 . 34452 1 121 . 1 1 10 10 GLY CA C 13 44.68 0.05 . 1 . . . . A 10 GLY CA . 34452 1 122 . 1 1 10 10 GLY N N 15 109.79 0.05 . 1 . . . . A 10 GLY N . 34452 1 123 . 1 1 12 12 GLY HA2 H 1 3.95 0.02 . 2 . . . . A 12 GLY HA2 . 34452 1 124 . 1 1 12 12 GLY HA3 H 1 3.75 0.02 . 2 . . . . A 12 GLY HA3 . 34452 1 125 . 1 1 12 12 GLY C C 13 174.59 0.05 . 1 . . . . A 12 GLY C . 34452 1 126 . 1 1 12 12 GLY CA C 13 45.29 0.05 . 1 . . . . A 12 GLY CA . 34452 1 127 . 1 1 13 13 GLY H H 1 8.21 0.02 . 1 . . . . A 13 GLY H . 34452 1 128 . 1 1 13 13 GLY HA2 H 1 3.84 0.02 . 2 . . . . A 13 GLY HA2 . 34452 1 129 . 1 1 13 13 GLY HA3 H 1 3.76 0.02 . 2 . . . . A 13 GLY HA3 . 34452 1 130 . 1 1 13 13 GLY C C 13 173.95 0.05 . 1 . . . . A 13 GLY C . 34452 1 131 . 1 1 13 13 GLY CA C 13 45.03 0.05 . 1 . . . . A 13 GLY CA . 34452 1 132 . 1 1 13 13 GLY N N 15 108.87 0.05 . 1 . . . . A 13 GLY N . 34452 1 133 . 1 1 14 14 ARG H H 1 8.11 0.02 . 1 . . . . A 14 ARG H . 34452 1 134 . 1 1 14 14 ARG HA H 1 4.03 0.02 . 1 . . . . A 14 ARG HA . 34452 1 135 . 1 1 14 14 ARG CA C 13 56.05 0.05 . 1 . . . . A 14 ARG CA . 34452 1 136 . 1 1 14 14 ARG CB C 13 30.11 0.05 . 1 . . . . A 14 ARG CB . 34452 1 137 . 1 1 14 14 ARG CG C 13 26.71 0.05 . 1 . . . . A 14 ARG CG . 34452 1 138 . 1 1 14 14 ARG N N 15 120.59 0.05 . 1 . . . . A 14 ARG N . 34452 1 139 . 1 1 16 16 PHE HA H 1 4.31 0.02 . 1 . . . . A 16 PHE HA . 34452 1 140 . 1 1 16 16 PHE HB2 H 1 2.97 0.02 . 1 . . . . A 16 PHE HB2 . 34452 1 141 . 1 1 16 16 PHE HB3 H 1 2.97 0.02 . 1 . . . . A 16 PHE HB3 . 34452 1 142 . 1 1 16 16 PHE HD1 H 1 7.09 0.02 . 1 . . . . A 16 PHE HD1 . 34452 1 143 . 1 1 16 16 PHE HD2 H 1 7.09 0.02 . 1 . . . . A 16 PHE HD2 . 34452 1 144 . 1 1 16 16 PHE HE1 H 1 7.18 0.02 . 1 . . . . A 16 PHE HE1 . 34452 1 145 . 1 1 16 16 PHE HE2 H 1 7.18 0.02 . 1 . . . . A 16 PHE HE2 . 34452 1 146 . 1 1 16 16 PHE HZ H 1 7.19 0.02 . 1 . . . . A 16 PHE HZ . 34452 1 147 . 1 1 16 16 PHE CD1 C 13 131.90 0.05 . 1 . . . . A 16 PHE CD1 . 34452 1 148 . 1 1 16 16 PHE CD2 C 13 131.90 0.05 . 1 . . . . A 16 PHE CD2 . 34452 1 149 . 1 1 16 16 PHE CE1 C 13 131.24 0.05 . 1 . . . . A 16 PHE CE1 . 34452 1 150 . 1 1 16 16 PHE CE2 C 13 131.24 0.05 . 1 . . . . A 16 PHE CE2 . 34452 1 151 . 1 1 16 16 PHE CZ C 13 129.73 0.05 . 1 . . . . A 16 PHE CZ . 34452 1 152 . 1 1 17 17 LEU H H 1 8.27 0.02 . 1 . . . . A 17 LEU H . 34452 1 153 . 1 1 17 17 LEU HA H 1 3.79 0.02 . 1 . . . . A 17 LEU HA . 34452 1 154 . 1 1 17 17 LEU HB2 H 1 1.87 0.02 . 2 . . . . A 17 LEU HB2 . 34452 1 155 . 1 1 17 17 LEU HB3 H 1 1.21 0.02 . 2 . . . . A 17 LEU HB3 . 34452 1 156 . 1 1 17 17 LEU HD11 H 1 0.55 0.02 . 2 . . . . A 17 LEU HD11 . 34452 1 157 . 1 1 17 17 LEU HD12 H 1 0.55 0.02 . 2 . . . . A 17 LEU HD12 . 34452 1 158 . 1 1 17 17 LEU HD13 H 1 0.55 0.02 . 2 . . . . A 17 LEU HD13 . 34452 1 159 . 1 1 17 17 LEU C C 13 176.94 0.05 . 1 . . . . A 17 LEU C . 34452 1 160 . 1 1 17 17 LEU CA C 13 57.28 0.05 . 1 . . . . A 17 LEU CA . 34452 1 161 . 1 1 17 17 LEU CB C 13 41.81 0.05 . 1 . . . . A 17 LEU CB . 34452 1 162 . 1 1 17 17 LEU CG C 13 26.66 0.05 . 1 . . . . A 17 LEU CG . 34452 1 163 . 1 1 17 17 LEU CD1 C 13 24.76 0.05 . 2 . . . . A 17 LEU CD1 . 34452 1 164 . 1 1 17 17 LEU CD2 C 13 25.72 0.05 . 2 . . . . A 17 LEU CD2 . 34452 1 165 . 1 1 17 17 LEU N N 15 121.32 0.05 . 1 . . . . A 17 LEU N . 34452 1 166 . 1 1 18 18 ALA H H 1 8.02 0.02 . 1 . . . . A 18 ALA H . 34452 1 167 . 1 1 18 18 ALA HA H 1 3.48 0.02 . 1 . . . . A 18 ALA HA . 34452 1 168 . 1 1 18 18 ALA HB1 H 1 1.24 0.02 . 1 . . . . A 18 ALA HB1 . 34452 1 169 . 1 1 18 18 ALA HB2 H 1 1.24 0.02 . 1 . . . . A 18 ALA HB2 . 34452 1 170 . 1 1 18 18 ALA HB3 H 1 1.24 0.02 . 1 . . . . A 18 ALA HB3 . 34452 1 171 . 1 1 18 18 ALA C C 13 178.97 0.05 . 1 . . . . A 18 ALA C . 34452 1 172 . 1 1 18 18 ALA CA C 13 55.98 0.05 . 1 . . . . A 18 ALA CA . 34452 1 173 . 1 1 18 18 ALA CB C 13 18.60 0.05 . 1 . . . . A 18 ALA CB . 34452 1 174 . 1 1 18 18 ALA N N 15 121.04 0.05 . 1 . . . . A 18 ALA N . 34452 1 175 . 1 1 19 19 GLU H H 1 8.13 0.02 . 1 . . . . A 19 GLU H . 34452 1 176 . 1 1 19 19 GLU HA H 1 3.84 0.02 . 1 . . . . A 19 GLU HA . 34452 1 177 . 1 1 19 19 GLU HB2 H 1 1.94 0.02 . 1 . . . . A 19 GLU HB2 . 34452 1 178 . 1 1 19 19 GLU HB3 H 1 1.94 0.02 . 1 . . . . A 19 GLU HB3 . 34452 1 179 . 1 1 19 19 GLU HG2 H 1 2.21 0.02 . 2 . . . . A 19 GLU HG2 . 34452 1 180 . 1 1 19 19 GLU HG3 H 1 2.12 0.02 . 2 . . . . A 19 GLU HG3 . 34452 1 181 . 1 1 19 19 GLU C C 13 179.61 0.05 . 1 . . . . A 19 GLU C . 34452 1 182 . 1 1 19 19 GLU CA C 13 59.11 0.05 . 1 . . . . A 19 GLU CA . 34452 1 183 . 1 1 19 19 GLU CB C 13 29.33 0.05 . 1 . . . . A 19 GLU CB . 34452 1 184 . 1 1 19 19 GLU CG C 13 36.08 0.05 . 1 . . . . A 19 GLU CG . 34452 1 185 . 1 1 19 19 GLU N N 15 115.65 0.05 . 1 . . . . A 19 GLU N . 34452 1 186 . 1 1 20 20 ARG H H 1 7.79 0.02 . 1 . . . . A 20 ARG H . 34452 1 187 . 1 1 20 20 ARG HA H 1 3.92 0.02 . 1 . . . . A 20 ARG HA . 34452 1 188 . 1 1 20 20 ARG HB2 H 1 1.67 0.02 . 2 . . . . A 20 ARG HB2 . 34452 1 189 . 1 1 20 20 ARG HB3 H 1 1.64 0.02 . 2 . . . . A 20 ARG HB3 . 34452 1 190 . 1 1 20 20 ARG HG2 H 1 1.44 0.02 . 1 . . . . A 20 ARG HG2 . 34452 1 191 . 1 1 20 20 ARG HG3 H 1 1.44 0.02 . 1 . . . . A 20 ARG HG3 . 34452 1 192 . 1 1 20 20 ARG HD2 H 1 2.97 0.02 . 1 . . . . A 20 ARG HD2 . 34452 1 193 . 1 1 20 20 ARG HD3 H 1 2.97 0.02 . 1 . . . . A 20 ARG HD3 . 34452 1 194 . 1 1 20 20 ARG C C 13 179.17 0.05 . 1 . . . . A 20 ARG C . 34452 1 195 . 1 1 20 20 ARG CA C 13 58.84 0.05 . 1 . . . . A 20 ARG CA . 34452 1 196 . 1 1 20 20 ARG CB C 13 30.33 0.05 . 1 . . . . A 20 ARG CB . 34452 1 197 . 1 1 20 20 ARG CG C 13 27.23 0.05 . 1 . . . . A 20 ARG CG . 34452 1 198 . 1 1 20 20 ARG CD C 13 43.46 0.05 . 1 . . . . A 20 ARG CD . 34452 1 199 . 1 1 20 20 ARG N N 15 120.13 0.05 . 1 . . . . A 20 ARG N . 34452 1 200 . 1 1 21 21 LEU H H 1 7.83 0.02 . 1 . . . . A 21 LEU H . 34452 1 201 . 1 1 21 21 LEU HA H 1 3.64 0.02 . 1 . . . . A 21 LEU HA . 34452 1 202 . 1 1 21 21 LEU HB2 H 1 1.47 0.02 . 1 . . . . A 21 LEU HB2 . 34452 1 203 . 1 1 21 21 LEU HB3 H 1 0.67 0.02 . 1 . . . . A 21 LEU HB3 . 34452 1 204 . 1 1 21 21 LEU HG H 1 1.33 0.02 . 1 . . . . A 21 LEU HG . 34452 1 205 . 1 1 21 21 LEU HD11 H 1 0.15 0.02 . 1 . . . . A 21 LEU HD11 . 34452 1 206 . 1 1 21 21 LEU HD12 H 1 0.15 0.02 . 1 . . . . A 21 LEU HD12 . 34452 1 207 . 1 1 21 21 LEU HD13 H 1 0.15 0.02 . 1 . . . . A 21 LEU HD13 . 34452 1 208 . 1 1 21 21 LEU HD21 H 1 0.20 0.02 . 1 . . . . A 21 LEU HD21 . 34452 1 209 . 1 1 21 21 LEU HD22 H 1 0.20 0.02 . 1 . . . . A 21 LEU HD22 . 34452 1 210 . 1 1 21 21 LEU HD23 H 1 0.20 0.02 . 1 . . . . A 21 LEU HD23 . 34452 1 211 . 1 1 21 21 LEU C C 13 179.22 0.05 . 1 . . . . A 21 LEU C . 34452 1 212 . 1 1 21 21 LEU CA C 13 57.39 0.05 . 1 . . . . A 21 LEU CA . 34452 1 213 . 1 1 21 21 LEU CB C 13 40.57 0.05 . 1 . . . . A 21 LEU CB . 34452 1 214 . 1 1 21 21 LEU CG C 13 26.51 0.05 . 1 . . . . A 21 LEU CG . 34452 1 215 . 1 1 21 21 LEU CD1 C 13 25.91 0.05 . 1 . . . . A 21 LEU CD1 . 34452 1 216 . 1 1 21 21 LEU CD2 C 13 22.23 0.05 . 1 . . . . A 21 LEU CD2 . 34452 1 217 . 1 1 21 21 LEU N N 15 118.15 0.05 . 1 . . . . A 21 LEU N . 34452 1 218 . 1 1 22 22 ARG H H 1 8.49 0.02 . 1 . . . . A 22 ARG H . 34452 1 219 . 1 1 22 22 ARG HA H 1 4.27 0.02 . 1 . . . . A 22 ARG HA . 34452 1 220 . 1 1 22 22 ARG HB2 H 1 1.65 0.02 . 1 . . . . A 22 ARG HB2 . 34452 1 221 . 1 1 22 22 ARG HB3 H 1 1.65 0.02 . 1 . . . . A 22 ARG HB3 . 34452 1 222 . 1 1 22 22 ARG HG2 H 1 1.62 0.02 . 2 . . . . A 22 ARG HG2 . 34452 1 223 . 1 1 22 22 ARG HG3 H 1 1.48 0.02 . 2 . . . . A 22 ARG HG3 . 34452 1 224 . 1 1 22 22 ARG HD2 H 1 3.00 0.02 . 1 . . . . A 22 ARG HD2 . 34452 1 225 . 1 1 22 22 ARG HD3 H 1 3.00 0.02 . 1 . . . . A 22 ARG HD3 . 34452 1 226 . 1 1 22 22 ARG C C 13 181.03 0.05 . 1 . . . . A 22 ARG C . 34452 1 227 . 1 1 22 22 ARG CA C 13 59.22 0.05 . 1 . . . . A 22 ARG CA . 34452 1 228 . 1 1 22 22 ARG CB C 13 29.81 0.05 . 1 . . . . A 22 ARG CB . 34452 1 229 . 1 1 22 22 ARG CG C 13 28.08 0.05 . 1 . . . . A 22 ARG CG . 34452 1 230 . 1 1 22 22 ARG CD C 13 43.46 0.05 . 1 . . . . A 22 ARG CD . 34452 1 231 . 1 1 22 22 ARG N N 15 121.67 0.05 . 1 . . . . A 22 ARG N . 34452 1 232 . 1 1 23 23 GLY H H 1 7.86 0.02 . 1 . . . . A 23 GLY H . 34452 1 233 . 1 1 23 23 GLY HA2 H 1 3.89 0.02 . 1 . . . . A 23 GLY HA2 . 34452 1 234 . 1 1 23 23 GLY HA3 H 1 3.83 0.02 . 1 . . . . A 23 GLY HA3 . 34452 1 235 . 1 1 23 23 GLY C C 13 174.51 0.05 . 1 . . . . A 23 GLY C . 34452 1 236 . 1 1 23 23 GLY CA C 13 46.13 0.05 . 1 . . . . A 23 GLY CA . 34452 1 237 . 1 1 23 23 GLY N N 15 106.44 0.05 . 1 . . . . A 23 GLY N . 34452 1 238 . 1 1 24 24 GLN H H 1 7.23 0.02 . 1 . . . . A 24 GLN H . 34452 1 239 . 1 1 24 24 GLN HA H 1 4.22 0.02 . 1 . . . . A 24 GLN HA . 34452 1 240 . 1 1 24 24 GLN HB2 H 1 2.42 0.02 . 2 . . . . A 24 GLN HB2 . 34452 1 241 . 1 1 24 24 GLN HB3 H 1 1.70 0.02 . 2 . . . . A 24 GLN HB3 . 34452 1 242 . 1 1 24 24 GLN HG2 H 1 2.22 0.02 . 2 . . . . A 24 GLN HG2 . 34452 1 243 . 1 1 24 24 GLN HG3 H 1 1.98 0.02 . 2 . . . . A 24 GLN HG3 . 34452 1 244 . 1 1 24 24 GLN HE21 H 1 7.41 0.02 . 1 . . . . A 24 GLN HE21 . 34452 1 245 . 1 1 24 24 GLN HE22 H 1 6.62 0.02 . 1 . . . . A 24 GLN HE22 . 34452 1 246 . 1 1 24 24 GLN C C 13 175.32 0.05 . 1 . . . . A 24 GLN C . 34452 1 247 . 1 1 24 24 GLN CA C 13 53.78 0.05 . 1 . . . . A 24 GLN CA . 34452 1 248 . 1 1 24 24 GLN CB C 13 29.60 0.05 . 1 . . . . A 24 GLN CB . 34452 1 249 . 1 1 24 24 GLN CG C 13 33.73 0.05 . 1 . . . . A 24 GLN CG . 34452 1 250 . 1 1 24 24 GLN N N 15 116.75 0.05 . 1 . . . . A 24 GLN N . 34452 1 251 . 1 1 24 24 GLN NE2 N 15 113.07 0.05 . 1 . . . . A 24 GLN NE2 . 34452 1 252 . 1 1 25 25 GLY H H 1 7.75 0.02 . 1 . . . . A 25 GLY H . 34452 1 253 . 1 1 25 25 GLY HA2 H 1 3.51 0.02 . 1 . . . . A 25 GLY HA2 . 34452 1 254 . 1 1 25 25 GLY HA3 H 1 3.95 0.02 . 1 . . . . A 25 GLY HA3 . 34452 1 255 . 1 1 25 25 GLY C C 13 173.28 0.05 . 1 . . . . A 25 GLY C . 34452 1 256 . 1 1 25 25 GLY CA C 13 45.20 0.05 . 1 . . . . A 25 GLY CA . 34452 1 257 . 1 1 25 25 GLY N N 15 106.79 0.05 . 1 . . . . A 25 GLY N . 34452 1 258 . 1 1 26 26 VAL H H 1 7.13 0.02 . 1 . . . . A 26 VAL H . 34452 1 259 . 1 1 26 26 VAL HA H 1 3.59 0.02 . 1 . . . . A 26 VAL HA . 34452 1 260 . 1 1 26 26 VAL HB H 1 1.32 0.02 . 1 . . . . A 26 VAL HB . 34452 1 261 . 1 1 26 26 VAL HG11 H 1 0.43 0.02 . 1 . . . . A 26 VAL HG11 . 34452 1 262 . 1 1 26 26 VAL HG12 H 1 0.43 0.02 . 1 . . . . A 26 VAL HG12 . 34452 1 263 . 1 1 26 26 VAL HG13 H 1 0.43 0.02 . 1 . . . . A 26 VAL HG13 . 34452 1 264 . 1 1 26 26 VAL HG21 H 1 0.43 0.02 . 1 . . . . A 26 VAL HG21 . 34452 1 265 . 1 1 26 26 VAL HG22 H 1 0.43 0.02 . 1 . . . . A 26 VAL HG22 . 34452 1 266 . 1 1 26 26 VAL HG23 H 1 0.43 0.02 . 1 . . . . A 26 VAL HG23 . 34452 1 267 . 1 1 26 26 VAL C C 13 175.24 0.05 . 1 . . . . A 26 VAL C . 34452 1 268 . 1 1 26 26 VAL CA C 13 61.53 0.05 . 1 . . . . A 26 VAL CA . 34452 1 269 . 1 1 26 26 VAL CB C 13 31.99 0.05 . 1 . . . . A 26 VAL CB . 34452 1 270 . 1 1 26 26 VAL CG1 C 13 21.64 0.05 . 2 . . . . A 26 VAL CG1 . 34452 1 271 . 1 1 26 26 VAL CG2 C 13 21.94 0.05 . 2 . . . . A 26 VAL CG2 . 34452 1 272 . 1 1 26 26 VAL N N 15 119.99 0.05 . 1 . . . . A 26 VAL N . 34452 1 273 . 1 1 27 27 GLN H H 1 8.27 0.02 . 1 . . . . A 27 GLN H . 34452 1 274 . 1 1 27 27 GLN HA H 1 4.17 0.02 . 1 . . . . A 27 GLN HA . 34452 1 275 . 1 1 27 27 GLN HB2 H 1 1.88 0.02 . 2 . . . . A 27 GLN HB2 . 34452 1 276 . 1 1 27 27 GLN HB3 H 1 1.80 0.02 . 2 . . . . A 27 GLN HB3 . 34452 1 277 . 1 1 27 27 GLN HG2 H 1 2.28 0.02 . 2 . . . . A 27 GLN HG2 . 34452 1 278 . 1 1 27 27 GLN HG3 H 1 2.13 0.02 . 2 . . . . A 27 GLN HG3 . 34452 1 279 . 1 1 27 27 GLN HE21 H 1 6.75 0.02 . 2 . . . . A 27 GLN HE21 . 34452 1 280 . 1 1 27 27 GLN HE22 H 1 7.67 0.02 . 2 . . . . A 27 GLN HE22 . 34452 1 281 . 1 1 27 27 GLN C C 13 174.21 0.05 . 1 . . . . A 27 GLN C . 34452 1 282 . 1 1 27 27 GLN CA C 13 55.41 0.05 . 1 . . . . A 27 GLN CA . 34452 1 283 . 1 1 27 27 GLN CB C 13 29.22 0.05 . 1 . . . . A 27 GLN CB . 34452 1 284 . 1 1 27 27 GLN CG C 13 33.69 0.05 . 1 . . . . A 27 GLN CG . 34452 1 285 . 1 1 27 27 GLN N N 15 126.56 0.05 . 1 . . . . A 27 GLN N . 34452 1 286 . 1 1 27 27 GLN NE2 N 15 113.40 0.05 . 1 . . . . A 27 GLN NE2 . 34452 1 287 . 1 1 28 28 VAL H H 1 8.33 0.02 . 1 . . . . A 28 VAL H . 34452 1 288 . 1 1 28 28 VAL HA H 1 4.34 0.02 . 1 . . . . A 28 VAL HA . 34452 1 289 . 1 1 28 28 VAL HB H 1 1.47 0.02 . 1 . . . . A 28 VAL HB . 34452 1 290 . 1 1 28 28 VAL HG11 H 1 0.23 0.02 . 1 . . . . A 28 VAL HG11 . 34452 1 291 . 1 1 28 28 VAL HG12 H 1 0.23 0.02 . 1 . . . . A 28 VAL HG12 . 34452 1 292 . 1 1 28 28 VAL HG13 H 1 0.23 0.02 . 1 . . . . A 28 VAL HG13 . 34452 1 293 . 1 1 28 28 VAL HG21 H 1 0.47 0.02 . 1 . . . . A 28 VAL HG21 . 34452 1 294 . 1 1 28 28 VAL HG22 H 1 0.47 0.02 . 1 . . . . A 28 VAL HG22 . 34452 1 295 . 1 1 28 28 VAL HG23 H 1 0.47 0.02 . 1 . . . . A 28 VAL HG23 . 34452 1 296 . 1 1 28 28 VAL C C 13 174.01 0.05 . 1 . . . . A 28 VAL C . 34452 1 297 . 1 1 28 28 VAL CA C 13 60.31 0.05 . 1 . . . . A 28 VAL CA . 34452 1 298 . 1 1 28 28 VAL CB C 13 33.96 0.05 . 1 . . . . A 28 VAL CB . 34452 1 299 . 1 1 28 28 VAL CG1 C 13 21.29 0.05 . 1 . . . . A 28 VAL CG1 . 34452 1 300 . 1 1 28 28 VAL CG2 C 13 20.30 0.05 . 1 . . . . A 28 VAL CG2 . 34452 1 301 . 1 1 28 28 VAL N N 15 122.27 0.05 . 1 . . . . A 28 VAL N . 34452 1 302 . 1 1 29 29 ASP H H 1 8.01 0.02 . 1 . . . . A 29 ASP H . 34452 1 303 . 1 1 29 29 ASP HA H 1 4.71 0.02 . 1 . . . . A 29 ASP HA . 34452 1 304 . 1 1 29 29 ASP HB2 H 1 2.31 0.02 . 1 . . . . A 29 ASP HB2 . 34452 1 305 . 1 1 29 29 ASP HB3 H 1 2.17 0.02 . 1 . . . . A 29 ASP HB3 . 34452 1 306 . 1 1 29 29 ASP C C 13 173.71 0.05 . 1 . . . . A 29 ASP C . 34452 1 307 . 1 1 29 29 ASP CA C 13 52.09 0.05 . 1 . . . . A 29 ASP CA . 34452 1 308 . 1 1 29 29 ASP CB C 13 44.26 0.05 . 1 . . . . A 29 ASP CB . 34452 1 309 . 1 1 29 29 ASP N N 15 125.80 0.05 . 1 . . . . A 29 ASP N . 34452 1 310 . 1 1 30 30 TYR H H 1 8.45 0.02 . 1 . . . . A 30 TYR H . 34452 1 311 . 1 1 30 30 TYR HA H 1 4.85 0.02 . 1 . . . . A 30 TYR HA . 34452 1 312 . 1 1 30 30 TYR HB2 H 1 2.64 0.02 . 1 . . . . A 30 TYR HB2 . 34452 1 313 . 1 1 30 30 TYR HB3 H 1 2.52 0.02 . 1 . . . . A 30 TYR HB3 . 34452 1 314 . 1 1 30 30 TYR HD1 H 1 6.81 0.02 . 1 . . . . A 30 TYR HD1 . 34452 1 315 . 1 1 30 30 TYR HD2 H 1 6.81 0.02 . 1 . . . . A 30 TYR HD2 . 34452 1 316 . 1 1 30 30 TYR HE1 H 1 6.48 0.02 . 1 . . . . A 30 TYR HE1 . 34452 1 317 . 1 1 30 30 TYR HE2 H 1 6.48 0.02 . 1 . . . . A 30 TYR HE2 . 34452 1 318 . 1 1 30 30 TYR C C 13 175.75 0.05 . 1 . . . . A 30 TYR C . 34452 1 319 . 1 1 30 30 TYR CA C 13 56.97 0.05 . 1 . . . . A 30 TYR CA . 34452 1 320 . 1 1 30 30 TYR CB C 13 40.75 0.05 . 1 . . . . A 30 TYR CB . 34452 1 321 . 1 1 30 30 TYR CD1 C 13 132.85 0.05 . 1 . . . . A 30 TYR CD1 . 34452 1 322 . 1 1 30 30 TYR CD2 C 13 132.85 0.05 . 1 . . . . A 30 TYR CD2 . 34452 1 323 . 1 1 30 30 TYR N N 15 119.71 0.05 . 1 . . . . A 30 TYR N . 34452 1 324 . 1 1 31 31 LEU H H 1 8.59 0.02 . 1 . . . . A 31 LEU H . 34452 1 325 . 1 1 31 31 LEU HA H 1 4.28 0.02 . 1 . . . . A 31 LEU HA . 34452 1 326 . 1 1 31 31 LEU HB2 H 1 1.48 0.02 . 2 . . . . A 31 LEU HB2 . 34452 1 327 . 1 1 31 31 LEU HB3 H 1 1.18 0.02 . 2 . . . . A 31 LEU HB3 . 34452 1 328 . 1 1 31 31 LEU HG H 1 1.38 0.02 . 1 . . . . A 31 LEU HG . 34452 1 329 . 1 1 31 31 LEU HD11 H 1 0.26 0.02 . 1 . . . . A 31 LEU HD11 . 34452 1 330 . 1 1 31 31 LEU HD12 H 1 0.26 0.02 . 1 . . . . A 31 LEU HD12 . 34452 1 331 . 1 1 31 31 LEU HD13 H 1 0.26 0.02 . 1 . . . . A 31 LEU HD13 . 34452 1 332 . 1 1 31 31 LEU HD21 H 1 0.39 0.02 . 1 . . . . A 31 LEU HD21 . 34452 1 333 . 1 1 31 31 LEU HD22 H 1 0.39 0.02 . 1 . . . . A 31 LEU HD22 . 34452 1 334 . 1 1 31 31 LEU HD23 H 1 0.39 0.02 . 1 . . . . A 31 LEU HD23 . 34452 1 335 . 1 1 31 31 LEU CA C 13 51.82 0.05 . 1 . . . . A 31 LEU CA . 34452 1 336 . 1 1 31 31 LEU CB C 13 43.01 0.05 . 1 . . . . A 31 LEU CB . 34452 1 337 . 1 1 31 31 LEU CG C 13 26.16 0.05 . 1 . . . . A 31 LEU CG . 34452 1 338 . 1 1 31 31 LEU CD1 C 13 24.47 0.05 . 1 . . . . A 31 LEU CD1 . 34452 1 339 . 1 1 31 31 LEU CD2 C 13 24.99 0.05 . 1 . . . . A 31 LEU CD2 . 34452 1 340 . 1 1 31 31 LEU N N 15 125.28 0.05 . 1 . . . . A 31 LEU N . 34452 1 341 . 1 1 32 32 PRO HA H 1 4.37 0.02 . 1 . . . . A 32 PRO HA . 34452 1 342 . 1 1 32 32 PRO HB2 H 1 2.26 0.02 . 2 . . . . A 32 PRO HB2 . 34452 1 343 . 1 1 32 32 PRO HB3 H 1 1.91 0.02 . 2 . . . . A 32 PRO HB3 . 34452 1 344 . 1 1 32 32 PRO HG2 H 1 1.98 0.02 . 1 . . . . A 32 PRO HG2 . 34452 1 345 . 1 1 32 32 PRO HG3 H 1 1.98 0.02 . 1 . . . . A 32 PRO HG3 . 34452 1 346 . 1 1 32 32 PRO HD2 H 1 3.23 0.02 . 1 . . . . A 32 PRO HD2 . 34452 1 347 . 1 1 32 32 PRO HD3 H 1 3.80 0.02 . 1 . . . . A 32 PRO HD3 . 34452 1 348 . 1 1 32 32 PRO CA C 13 62.27 0.05 . 1 . . . . A 32 PRO CA . 34452 1 349 . 1 1 32 32 PRO CB C 13 32.81 0.05 . 1 . . . . A 32 PRO CB . 34452 1 350 . 1 1 32 32 PRO CG C 13 27.51 0.05 . 1 . . . . A 32 PRO CG . 34452 1 351 . 1 1 32 32 PRO CD C 13 50.53 0.05 . 1 . . . . A 32 PRO CD . 34452 1 352 . 1 1 33 33 LEU H H 1 8.32 0.02 . 1 . . . . A 33 LEU H . 34452 1 353 . 1 1 33 33 LEU HA H 1 3.89 0.02 . 1 . . . . A 33 LEU HA . 34452 1 354 . 1 1 33 33 LEU HB2 H 1 1.51 0.02 . 1 . . . . A 33 LEU HB2 . 34452 1 355 . 1 1 33 33 LEU HB3 H 1 1.37 0.02 . 1 . . . . A 33 LEU HB3 . 34452 1 356 . 1 1 33 33 LEU HG H 1 1.44 0.02 . 1 . . . . A 33 LEU HG . 34452 1 357 . 1 1 33 33 LEU HD11 H 1 0.72 0.02 . 1 . . . . A 33 LEU HD11 . 34452 1 358 . 1 1 33 33 LEU HD12 H 1 0.72 0.02 . 1 . . . . A 33 LEU HD12 . 34452 1 359 . 1 1 33 33 LEU HD13 H 1 0.72 0.02 . 1 . . . . A 33 LEU HD13 . 34452 1 360 . 1 1 33 33 LEU HD21 H 1 0.71 0.02 . 1 . . . . A 33 LEU HD21 . 34452 1 361 . 1 1 33 33 LEU HD22 H 1 0.71 0.02 . 1 . . . . A 33 LEU HD22 . 34452 1 362 . 1 1 33 33 LEU HD23 H 1 0.71 0.02 . 1 . . . . A 33 LEU HD23 . 34452 1 363 . 1 1 33 33 LEU C C 13 177.32 0.05 . 1 . . . . A 33 LEU C . 34452 1 364 . 1 1 33 33 LEU CA C 13 56.59 0.05 . 1 . . . . A 33 LEU CA . 34452 1 365 . 1 1 33 33 LEU CB C 13 41.83 0.05 . 1 . . . . A 33 LEU CB . 34452 1 366 . 1 1 33 33 LEU CG C 13 27.14 0.05 . 1 . . . . A 33 LEU CG . 34452 1 367 . 1 1 33 33 LEU CD1 C 13 24.77 0.05 . 1 . . . . A 33 LEU CD1 . 34452 1 368 . 1 1 33 33 LEU CD2 C 13 23.52 0.05 . 1 . . . . A 33 LEU CD2 . 34452 1 369 . 1 1 33 33 LEU N N 15 119.90 0.05 . 1 . . . . A 33 LEU N . 34452 1 370 . 1 1 34 34 ASP H H 1 8.12 0.02 . 1 . . . . A 34 ASP H . 34452 1 371 . 1 1 34 34 ASP HA H 1 4.38 0.02 . 1 . . . . A 34 ASP HA . 34452 1 372 . 1 1 34 34 ASP HB2 H 1 2.64 0.02 . 2 . . . . A 34 ASP HB2 . 34452 1 373 . 1 1 34 34 ASP HB3 H 1 2.39 0.02 . 2 . . . . A 34 ASP HB3 . 34452 1 374 . 1 1 34 34 ASP C C 13 175.00 0.05 . 1 . . . . A 34 ASP C . 34452 1 375 . 1 1 34 34 ASP CA C 13 52.73 0.05 . 1 . . . . A 34 ASP CA . 34452 1 376 . 1 1 34 34 ASP CB C 13 39.40 0.05 . 1 . . . . A 34 ASP CB . 34452 1 377 . 1 1 34 34 ASP N N 15 115.63 0.05 . 1 . . . . A 34 ASP N . 34452 1 378 . 1 1 35 35 TYR H H 1 7.21 0.02 . 1 . . . . A 35 TYR H . 34452 1 379 . 1 1 35 35 TYR HA H 1 4.37 0.02 . 1 . . . . A 35 TYR HA . 34452 1 380 . 1 1 35 35 TYR HB2 H 1 2.67 0.02 . 1 . . . . A 35 TYR HB2 . 34452 1 381 . 1 1 35 35 TYR HB3 H 1 2.97 0.02 . 1 . . . . A 35 TYR HB3 . 34452 1 382 . 1 1 35 35 TYR HD1 H 1 6.93 0.02 . 1 . . . . A 35 TYR HD1 . 34452 1 383 . 1 1 35 35 TYR HD2 H 1 6.93 0.02 . 1 . . . . A 35 TYR HD2 . 34452 1 384 . 1 1 35 35 TYR HE1 H 1 6.48 0.02 . 1 . . . . A 35 TYR HE1 . 34452 1 385 . 1 1 35 35 TYR HE2 H 1 6.48 0.02 . 1 . . . . A 35 TYR HE2 . 34452 1 386 . 1 1 35 35 TYR CA C 13 56.98 0.05 . 1 . . . . A 35 TYR CA . 34452 1 387 . 1 1 35 35 TYR CB C 13 39.29 0.05 . 1 . . . . A 35 TYR CB . 34452 1 388 . 1 1 35 35 TYR CD1 C 13 133.52 0.05 . 1 . . . . A 35 TYR CD1 . 34452 1 389 . 1 1 35 35 TYR CD2 C 13 133.52 0.05 . 1 . . . . A 35 TYR CD2 . 34452 1 390 . 1 1 35 35 TYR N N 15 123.42 0.05 . 1 . . . . A 35 TYR N . 34452 1 391 . 1 1 36 36 PRO HA H 1 4.14 0.02 . 1 . . . . A 36 PRO HA . 34452 1 392 . 1 1 36 36 PRO HB2 H 1 1.92 0.02 . 2 . . . . A 36 PRO HB2 . 34452 1 393 . 1 1 36 36 PRO HB3 H 1 1.50 0.02 . 2 . . . . A 36 PRO HB3 . 34452 1 394 . 1 1 36 36 PRO HG2 H 1 1.53 0.02 . 2 . . . . A 36 PRO HG2 . 34452 1 395 . 1 1 36 36 PRO HG3 H 1 1.42 0.02 . 2 . . . . A 36 PRO HG3 . 34452 1 396 . 1 1 36 36 PRO HD2 H 1 2.03 0.02 . 1 . . . . A 36 PRO HD2 . 34452 1 397 . 1 1 36 36 PRO HD3 H 1 3.25 0.02 . 1 . . . . A 36 PRO HD3 . 34452 1 398 . 1 1 36 36 PRO CA C 13 62.29 0.05 . 1 . . . . A 36 PRO CA . 34452 1 399 . 1 1 36 36 PRO CB C 13 31.99 0.05 . 1 . . . . A 36 PRO CB . 34452 1 400 . 1 1 36 36 PRO CG C 13 27.18 0.05 . 1 . . . . A 36 PRO CG . 34452 1 401 . 1 1 36 36 PRO CD C 13 50.36 0.05 . 1 . . . . A 36 PRO CD . 34452 1 402 . 1 1 37 37 ALA H H 1 8.25 0.02 . 1 . . . . A 37 ALA H . 34452 1 403 . 1 1 37 37 ALA HA H 1 4.15 0.02 . 1 . . . . A 37 ALA HA . 34452 1 404 . 1 1 37 37 ALA HB1 H 1 1.31 0.02 . 1 . . . . A 37 ALA HB1 . 34452 1 405 . 1 1 37 37 ALA HB2 H 1 1.31 0.02 . 1 . . . . A 37 ALA HB2 . 34452 1 406 . 1 1 37 37 ALA HB3 H 1 1.31 0.02 . 1 . . . . A 37 ALA HB3 . 34452 1 407 . 1 1 37 37 ALA C C 13 179.11 0.05 . 1 . . . . A 37 ALA C . 34452 1 408 . 1 1 37 37 ALA CA C 13 53.08 0.05 . 1 . . . . A 37 ALA CA . 34452 1 409 . 1 1 37 37 ALA CB C 13 18.45 0.05 . 1 . . . . A 37 ALA CB . 34452 1 410 . 1 1 37 37 ALA N N 15 124.03 0.05 . 1 . . . . A 37 ALA N . 34452 1 411 . 1 1 38 38 GLY H H 1 8.64 0.02 . 1 . . . . A 38 GLY H . 34452 1 412 . 1 1 38 38 GLY HA2 H 1 3.76 0.02 . 1 . . . . A 38 GLY HA2 . 34452 1 413 . 1 1 38 38 GLY HA3 H 1 4.10 0.02 . 1 . . . . A 38 GLY HA3 . 34452 1 414 . 1 1 38 38 GLY C C 13 175.10 0.05 . 1 . . . . A 38 GLY C . 34452 1 415 . 1 1 38 38 GLY CA C 13 46.10 0.05 . 1 . . . . A 38 GLY CA . 34452 1 416 . 1 1 38 38 GLY N N 15 107.65 0.05 . 1 . . . . A 38 GLY N . 34452 1 417 . 1 1 39 39 GLU H H 1 7.54 0.02 . 1 . . . . A 39 GLU H . 34452 1 418 . 1 1 39 39 GLU HA H 1 4.58 0.02 . 1 . . . . A 39 GLU HA . 34452 1 419 . 1 1 39 39 GLU HB2 H 1 2.11 0.02 . 2 . . . . A 39 GLU HB2 . 34452 1 420 . 1 1 39 39 GLU HB3 H 1 1.45 0.02 . 2 . . . . A 39 GLU HB3 . 34452 1 421 . 1 1 39 39 GLU HG2 H 1 1.92 0.02 . 2 . . . . A 39 GLU HG2 . 34452 1 422 . 1 1 39 39 GLU HG3 H 1 1.83 0.02 . 2 . . . . A 39 GLU HG3 . 34452 1 423 . 1 1 39 39 GLU C C 13 177.96 0.05 . 1 . . . . A 39 GLU C . 34452 1 424 . 1 1 39 39 GLU CA C 13 56.02 0.05 . 1 . . . . A 39 GLU CA . 34452 1 425 . 1 1 39 39 GLU CB C 13 29.26 0.05 . 1 . . . . A 39 GLU CB . 34452 1 426 . 1 1 39 39 GLU CG C 13 35.67 0.05 . 1 . . . . A 39 GLU CG . 34452 1 427 . 1 1 39 39 GLU N N 15 118.17 0.05 . 1 . . . . A 39 GLU N . 34452 1 428 . 1 1 40 40 LEU H H 1 8.44 0.02 . 1 . . . . A 40 LEU H . 34452 1 429 . 1 1 40 40 LEU HA H 1 4.05 0.02 . 1 . . . . A 40 LEU HA . 34452 1 430 . 1 1 40 40 LEU HB2 H 1 1.67 0.02 . 2 . . . . A 40 LEU HB2 . 34452 1 431 . 1 1 40 40 LEU HB3 H 1 1.37 0.02 . 2 . . . . A 40 LEU HB3 . 34452 1 432 . 1 1 40 40 LEU HG H 1 1.42 0.02 . 1 . . . . A 40 LEU HG . 34452 1 433 . 1 1 40 40 LEU HD11 H 1 0.61 0.02 . 1 . . . . A 40 LEU HD11 . 34452 1 434 . 1 1 40 40 LEU HD12 H 1 0.61 0.02 . 1 . . . . A 40 LEU HD12 . 34452 1 435 . 1 1 40 40 LEU HD13 H 1 0.61 0.02 . 1 . . . . A 40 LEU HD13 . 34452 1 436 . 1 1 40 40 LEU HD21 H 1 0.67 0.02 . 1 . . . . A 40 LEU HD21 . 34452 1 437 . 1 1 40 40 LEU HD22 H 1 0.67 0.02 . 1 . . . . A 40 LEU HD22 . 34452 1 438 . 1 1 40 40 LEU HD23 H 1 0.67 0.02 . 1 . . . . A 40 LEU HD23 . 34452 1 439 . 1 1 40 40 LEU C C 13 177.76 0.05 . 1 . . . . A 40 LEU C . 34452 1 440 . 1 1 40 40 LEU CA C 13 58.16 0.05 . 1 . . . . A 40 LEU CA . 34452 1 441 . 1 1 40 40 LEU CB C 13 41.97 0.05 . 1 . . . . A 40 LEU CB . 34452 1 442 . 1 1 40 40 LEU CG C 13 26.96 0.05 . 1 . . . . A 40 LEU CG . 34452 1 443 . 1 1 40 40 LEU CD1 C 13 23.61 0.05 . 1 . . . . A 40 LEU CD1 . 34452 1 444 . 1 1 40 40 LEU CD2 C 13 26.28 0.05 . 1 . . . . A 40 LEU CD2 . 34452 1 445 . 1 1 40 40 LEU N N 15 124.45 0.05 . 1 . . . . A 40 LEU N . 34452 1 446 . 1 1 41 41 LEU H H 1 8.21 0.02 . 1 . . . . A 41 LEU H . 34452 1 447 . 1 1 41 41 LEU HA H 1 3.77 0.02 . 1 . . . . A 41 LEU HA . 34452 1 448 . 1 1 41 41 LEU HB2 H 1 1.77 0.02 . 2 . . . . A 41 LEU HB2 . 34452 1 449 . 1 1 41 41 LEU HB3 H 1 1.11 0.02 . 2 . . . . A 41 LEU HB3 . 34452 1 450 . 1 1 41 41 LEU HG H 1 1.34 0.02 . 1 . . . . A 41 LEU HG . 34452 1 451 . 1 1 41 41 LEU HD11 H 1 0.66 0.02 . 1 . . . . A 41 LEU HD11 . 34452 1 452 . 1 1 41 41 LEU HD12 H 1 0.66 0.02 . 1 . . . . A 41 LEU HD12 . 34452 1 453 . 1 1 41 41 LEU HD13 H 1 0.66 0.02 . 1 . . . . A 41 LEU HD13 . 34452 1 454 . 1 1 41 41 LEU HD21 H 1 0.67 0.02 . 1 . . . . A 41 LEU HD21 . 34452 1 455 . 1 1 41 41 LEU HD22 H 1 0.67 0.02 . 1 . . . . A 41 LEU HD22 . 34452 1 456 . 1 1 41 41 LEU HD23 H 1 0.67 0.02 . 1 . . . . A 41 LEU HD23 . 34452 1 457 . 1 1 41 41 LEU C C 13 177.66 0.05 . 1 . . . . A 41 LEU C . 34452 1 458 . 1 1 41 41 LEU CA C 13 57.84 0.05 . 1 . . . . A 41 LEU CA . 34452 1 459 . 1 1 41 41 LEU CB C 13 40.72 0.05 . 1 . . . . A 41 LEU CB . 34452 1 460 . 1 1 41 41 LEU CG C 13 26.66 0.05 . 1 . . . . A 41 LEU CG . 34452 1 461 . 1 1 41 41 LEU CD1 C 13 22.92 0.05 . 1 . . . . A 41 LEU CD1 . 34452 1 462 . 1 1 41 41 LEU CD2 C 13 25.66 0.05 . 1 . . . . A 41 LEU CD2 . 34452 1 463 . 1 1 41 41 LEU N N 15 119.77 0.05 . 1 . . . . A 41 LEU N . 34452 1 464 . 1 1 42 42 ALA H H 1 7.93 0.02 . 1 . . . . A 42 ALA H . 34452 1 465 . 1 1 42 42 ALA HA H 1 3.86 0.02 . 1 . . . . A 42 ALA HA . 34452 1 466 . 1 1 42 42 ALA HB1 H 1 1.30 0.02 . 1 . . . . A 42 ALA HB1 . 34452 1 467 . 1 1 42 42 ALA HB2 H 1 1.30 0.02 . 1 . . . . A 42 ALA HB2 . 34452 1 468 . 1 1 42 42 ALA HB3 H 1 1.30 0.02 . 1 . . . . A 42 ALA HB3 . 34452 1 469 . 1 1 42 42 ALA C C 13 180.40 0.05 . 1 . . . . A 42 ALA C . 34452 1 470 . 1 1 42 42 ALA CA C 13 54.93 0.05 . 1 . . . . A 42 ALA CA . 34452 1 471 . 1 1 42 42 ALA CB C 13 17.34 0.05 . 1 . . . . A 42 ALA CB . 34452 1 472 . 1 1 42 42 ALA N N 15 119.77 0.05 . 1 . . . . A 42 ALA N . 34452 1 473 . 1 1 43 43 ARG H H 1 7.38 0.02 . 1 . . . . A 43 ARG H . 34452 1 474 . 1 1 43 43 ARG HA H 1 4.02 0.02 . 1 . . . . A 43 ARG HA . 34452 1 475 . 1 1 43 43 ARG HB2 H 1 1.89 0.02 . 2 . . . . A 43 ARG HB2 . 34452 1 476 . 1 1 43 43 ARG HB3 H 1 1.80 0.02 . 2 . . . . A 43 ARG HB3 . 34452 1 477 . 1 1 43 43 ARG HG2 H 1 1.63 0.02 . 2 . . . . A 43 ARG HG2 . 34452 1 478 . 1 1 43 43 ARG HG3 H 1 1.48 0.02 . 2 . . . . A 43 ARG HG3 . 34452 1 479 . 1 1 43 43 ARG HD2 H 1 2.99 0.02 . 2 . . . . A 43 ARG HD2 . 34452 1 480 . 1 1 43 43 ARG HD3 H 1 2.54 0.02 . 2 . . . . A 43 ARG HD3 . 34452 1 481 . 1 1 43 43 ARG C C 13 177.79 0.05 . 1 . . . . A 43 ARG C . 34452 1 482 . 1 1 43 43 ARG CA C 13 58.93 0.05 . 1 . . . . A 43 ARG CA . 34452 1 483 . 1 1 43 43 ARG CB C 13 29.79 0.05 . 1 . . . . A 43 ARG CB . 34452 1 484 . 1 1 43 43 ARG CG C 13 27.57 0.05 . 1 . . . . A 43 ARG CG . 34452 1 485 . 1 1 43 43 ARG CD C 13 43.37 0.05 . 1 . . . . A 43 ARG CD . 34452 1 486 . 1 1 43 43 ARG N N 15 119.13 0.05 . 1 . . . . A 43 ARG N . 34452 1 487 . 1 1 44 44 VAL H H 1 8.16 0.02 . 1 . . . . A 44 VAL H . 34452 1 488 . 1 1 44 44 VAL HA H 1 3.38 0.02 . 1 . . . . A 44 VAL HA . 34452 1 489 . 1 1 44 44 VAL HB H 1 2.22 0.02 . 1 . . . . A 44 VAL HB . 34452 1 490 . 1 1 44 44 VAL HG11 H 1 0.77 0.02 . 2 . . . . A 44 VAL HG11 . 34452 1 491 . 1 1 44 44 VAL HG12 H 1 0.77 0.02 . 2 . . . . A 44 VAL HG12 . 34452 1 492 . 1 1 44 44 VAL HG13 H 1 0.77 0.02 . 2 . . . . A 44 VAL HG13 . 34452 1 493 . 1 1 44 44 VAL HG21 H 1 0.74 0.02 . 2 . . . . A 44 VAL HG21 . 34452 1 494 . 1 1 44 44 VAL HG22 H 1 0.74 0.02 . 2 . . . . A 44 VAL HG22 . 34452 1 495 . 1 1 44 44 VAL HG23 H 1 0.74 0.02 . 2 . . . . A 44 VAL HG23 . 34452 1 496 . 1 1 44 44 VAL C C 13 178.53 0.05 . 1 . . . . A 44 VAL C . 34452 1 497 . 1 1 44 44 VAL CA C 13 66.09 0.05 . 1 . . . . A 44 VAL CA . 34452 1 498 . 1 1 44 44 VAL CB C 13 31.37 0.05 . 1 . . . . A 44 VAL CB . 34452 1 499 . 1 1 44 44 VAL CG1 C 13 21.03 0.05 . 2 . . . . A 44 VAL CG1 . 34452 1 500 . 1 1 44 44 VAL CG2 C 13 22.11 0.05 . 2 . . . . A 44 VAL CG2 . 34452 1 501 . 1 1 44 44 VAL N N 15 118.71 0.05 . 1 . . . . A 44 VAL N . 34452 1 502 . 1 1 45 45 ARG H H 1 8.05 0.02 . 1 . . . . A 45 ARG H . 34452 1 503 . 1 1 45 45 ARG HA H 1 3.95 0.02 . 1 . . . . A 45 ARG HA . 34452 1 504 . 1 1 45 45 ARG HB2 H 1 1.68 0.02 . 2 . . . . A 45 ARG HB2 . 34452 1 505 . 1 1 45 45 ARG HB3 H 1 1.58 0.02 . 2 . . . . A 45 ARG HB3 . 34452 1 506 . 1 1 45 45 ARG HG2 H 1 1.62 0.02 . 2 . . . . A 45 ARG HG2 . 34452 1 507 . 1 1 45 45 ARG HG3 H 1 1.40 0.02 . 2 . . . . A 45 ARG HG3 . 34452 1 508 . 1 1 45 45 ARG HD2 H 1 2.86 0.02 . 1 . . . . A 45 ARG HD2 . 34452 1 509 . 1 1 45 45 ARG HD3 H 1 2.86 0.02 . 1 . . . . A 45 ARG HD3 . 34452 1 510 . 1 1 45 45 ARG CA C 13 58.49 0.05 . 1 . . . . A 45 ARG CA . 34452 1 511 . 1 1 45 45 ARG CB C 13 29.96 0.05 . 1 . . . . A 45 ARG CB . 34452 1 512 . 1 1 45 45 ARG CG C 13 27.64 0.05 . 1 . . . . A 45 ARG CG . 34452 1 513 . 1 1 45 45 ARG CD C 13 43.19 0.05 . 1 . . . . A 45 ARG CD . 34452 1 514 . 1 1 45 45 ARG N N 15 116.79 0.05 . 1 . . . . A 45 ARG N . 34452 1 515 . 1 1 46 46 ALA HA H 1 3.99 0.02 . 1 . . . . A 46 ALA HA . 34452 1 516 . 1 1 46 46 ALA HB1 H 1 1.36 0.02 . 1 . . . . A 46 ALA HB1 . 34452 1 517 . 1 1 46 46 ALA HB2 H 1 1.36 0.02 . 1 . . . . A 46 ALA HB2 . 34452 1 518 . 1 1 46 46 ALA HB3 H 1 1.36 0.02 . 1 . . . . A 46 ALA HB3 . 34452 1 519 . 1 1 46 46 ALA C C 13 179.30 0.05 . 1 . . . . A 46 ALA C . 34452 1 520 . 1 1 46 46 ALA CA C 13 54.65 0.05 . 1 . . . . A 46 ALA CA . 34452 1 521 . 1 1 46 46 ALA CB C 13 18.96 0.05 . 1 . . . . A 46 ALA CB . 34452 1 522 . 1 1 47 47 GLU H H 1 8.10 0.02 . 1 . . . . A 47 GLU H . 34452 1 523 . 1 1 47 47 GLU HA H 1 4.09 0.02 . 1 . . . . A 47 GLU HA . 34452 1 524 . 1 1 47 47 GLU HB2 H 1 1.91 0.02 . 2 . . . . A 47 GLU HB2 . 34452 1 525 . 1 1 47 47 GLU HB3 H 1 1.65 0.02 . 2 . . . . A 47 GLU HB3 . 34452 1 526 . 1 1 47 47 GLU HG2 H 1 2.06 0.02 . 2 . . . . A 47 GLU HG2 . 34452 1 527 . 1 1 47 47 GLU HG3 H 1 1.95 0.02 . 2 . . . . A 47 GLU HG3 . 34452 1 528 . 1 1 47 47 GLU C C 13 175.08 0.05 . 1 . . . . A 47 GLU C . 34452 1 529 . 1 1 47 47 GLU CA C 13 55.26 0.05 . 1 . . . . A 47 GLU CA . 34452 1 530 . 1 1 47 47 GLU CB C 13 29.56 0.05 . 1 . . . . A 47 GLU CB . 34452 1 531 . 1 1 47 47 GLU CG C 13 36.16 0.05 . 1 . . . . A 47 GLU CG . 34452 1 532 . 1 1 47 47 GLU N N 15 112.96 0.05 . 1 . . . . A 47 GLU N . 34452 1 533 . 1 1 48 48 ARG H H 1 7.48 0.02 . 1 . . . . A 48 ARG H . 34452 1 534 . 1 1 48 48 ARG HA H 1 3.72 0.02 . 1 . . . . A 48 ARG HA . 34452 1 535 . 1 1 48 48 ARG HB2 H 1 1.62 0.02 . 2 . . . . A 48 ARG HB2 . 34452 1 536 . 1 1 48 48 ARG HB3 H 1 1.36 0.02 . 2 . . . . A 48 ARG HB3 . 34452 1 537 . 1 1 48 48 ARG HG2 H 1 1.72 0.02 . 2 . . . . A 48 ARG HG2 . 34452 1 538 . 1 1 48 48 ARG HG3 H 1 1.65 0.02 . 2 . . . . A 48 ARG HG3 . 34452 1 539 . 1 1 48 48 ARG HD2 H 1 2.99 0.02 . 1 . . . . A 48 ARG HD2 . 34452 1 540 . 1 1 48 48 ARG HD3 H 1 2.99 0.02 . 1 . . . . A 48 ARG HD3 . 34452 1 541 . 1 1 48 48 ARG C C 13 174.98 0.05 . 1 . . . . A 48 ARG C . 34452 1 542 . 1 1 48 48 ARG CA C 13 56.32 0.05 . 1 . . . . A 48 ARG CA . 34452 1 543 . 1 1 48 48 ARG CB C 13 26.92 0.05 . 1 . . . . A 48 ARG CB . 34452 1 544 . 1 1 48 48 ARG CG C 13 27.28 0.05 . 1 . . . . A 48 ARG CG . 34452 1 545 . 1 1 48 48 ARG CD C 13 43.34 0.05 . 1 . . . . A 48 ARG CD . 34452 1 546 . 1 1 48 48 ARG N N 15 116.60 0.05 . 1 . . . . A 48 ARG N . 34452 1 547 . 1 1 49 49 LEU H H 1 7.52 0.02 . 1 . . . . A 49 LEU H . 34452 1 548 . 1 1 49 49 LEU HA H 1 3.95 0.02 . 1 . . . . A 49 LEU HA . 34452 1 549 . 1 1 49 49 LEU HB2 H 1 1.56 0.02 . 1 . . . . A 49 LEU HB2 . 34452 1 550 . 1 1 49 49 LEU HB3 H 1 1.17 0.02 . 1 . . . . A 49 LEU HB3 . 34452 1 551 . 1 1 49 49 LEU HG H 1 1.51 0.02 . 1 . . . . A 49 LEU HG . 34452 1 552 . 1 1 49 49 LEU HD11 H 1 0.67 0.02 . 1 . . . . A 49 LEU HD11 . 34452 1 553 . 1 1 49 49 LEU HD12 H 1 0.67 0.02 . 1 . . . . A 49 LEU HD12 . 34452 1 554 . 1 1 49 49 LEU HD13 H 1 0.67 0.02 . 1 . . . . A 49 LEU HD13 . 34452 1 555 . 1 1 49 49 LEU HD21 H 1 0.57 0.02 . 1 . . . . A 49 LEU HD21 . 34452 1 556 . 1 1 49 49 LEU HD22 H 1 0.57 0.02 . 1 . . . . A 49 LEU HD22 . 34452 1 557 . 1 1 49 49 LEU HD23 H 1 0.57 0.02 . 1 . . . . A 49 LEU HD23 . 34452 1 558 . 1 1 49 49 LEU C C 13 176.62 0.05 . 1 . . . . A 49 LEU C . 34452 1 559 . 1 1 49 49 LEU CA C 13 54.86 0.05 . 1 . . . . A 49 LEU CA . 34452 1 560 . 1 1 49 49 LEU CB C 13 43.22 0.05 . 1 . . . . A 49 LEU CB . 34452 1 561 . 1 1 49 49 LEU CG C 13 26.88 0.05 . 1 . . . . A 49 LEU CG . 34452 1 562 . 1 1 49 49 LEU CD1 C 13 26.10 0.05 . 1 . . . . A 49 LEU CD1 . 34452 1 563 . 1 1 49 49 LEU CD2 C 13 23.99 0.05 . 1 . . . . A 49 LEU CD2 . 34452 1 564 . 1 1 49 49 LEU N N 15 116.57 0.05 . 1 . . . . A 49 LEU N . 34452 1 565 . 1 1 50 50 ASN H H 1 8.84 0.02 . 1 . . . . A 50 ASN H . 34452 1 566 . 1 1 50 50 ASN HA H 1 4.70 0.02 . 1 . . . . A 50 ASN HA . 34452 1 567 . 1 1 50 50 ASN HB2 H 1 2.45 0.02 . 1 . . . . A 50 ASN HB2 . 34452 1 568 . 1 1 50 50 ASN HB3 H 1 2.85 0.02 . 1 . . . . A 50 ASN HB3 . 34452 1 569 . 1 1 50 50 ASN HD21 H 1 7.60 0.02 . 1 . . . . A 50 ASN HD21 . 34452 1 570 . 1 1 50 50 ASN HD22 H 1 6.78 0.02 . 1 . . . . A 50 ASN HD22 . 34452 1 571 . 1 1 50 50 ASN C C 13 173.80 0.05 . 1 . . . . A 50 ASN C . 34452 1 572 . 1 1 50 50 ASN CA C 13 53.90 0.05 . 1 . . . . A 50 ASN CA . 34452 1 573 . 1 1 50 50 ASN CB C 13 40.69 0.05 . 1 . . . . A 50 ASN CB . 34452 1 574 . 1 1 50 50 ASN N N 15 115.70 0.05 . 1 . . . . A 50 ASN N . 34452 1 575 . 1 1 50 50 ASN ND2 N 15 110.17 0.05 . 1 . . . . A 50 ASN ND2 . 34452 1 576 . 1 1 51 51 GLY H H 1 7.17 0.02 . 1 . . . . A 51 GLY H . 34452 1 577 . 1 1 51 51 GLY HA2 H 1 4.33 0.02 . 1 . . . . A 51 GLY HA2 . 34452 1 578 . 1 1 51 51 GLY HA3 H 1 3.71 0.02 . 1 . . . . A 51 GLY HA3 . 34452 1 579 . 1 1 51 51 GLY C C 13 169.76 0.05 . 1 . . . . A 51 GLY C . 34452 1 580 . 1 1 51 51 GLY CA C 13 45.56 0.05 . 1 . . . . A 51 GLY CA . 34452 1 581 . 1 1 51 51 GLY N N 15 100.17 0.05 . 1 . . . . A 51 GLY N . 34452 1 582 . 1 1 52 52 LEU H H 1 8.81 0.02 . 1 . . . . A 52 LEU H . 34452 1 583 . 1 1 52 52 LEU HA H 1 5.24 0.02 . 1 . . . . A 52 LEU HA . 34452 1 584 . 1 1 52 52 LEU HB2 H 1 1.73 0.02 . 1 . . . . A 52 LEU HB2 . 34452 1 585 . 1 1 52 52 LEU HB3 H 1 1.14 0.02 . 1 . . . . A 52 LEU HB3 . 34452 1 586 . 1 1 52 52 LEU HG H 1 1.41 0.02 . 1 . . . . A 52 LEU HG . 34452 1 587 . 1 1 52 52 LEU HD11 H 1 0.73 0.02 . 1 . . . . A 52 LEU HD11 . 34452 1 588 . 1 1 52 52 LEU HD12 H 1 0.73 0.02 . 1 . . . . A 52 LEU HD12 . 34452 1 589 . 1 1 52 52 LEU HD13 H 1 0.73 0.02 . 1 . . . . A 52 LEU HD13 . 34452 1 590 . 1 1 52 52 LEU HD21 H 1 0.71 0.02 . 1 . . . . A 52 LEU HD21 . 34452 1 591 . 1 1 52 52 LEU HD22 H 1 0.71 0.02 . 1 . . . . A 52 LEU HD22 . 34452 1 592 . 1 1 52 52 LEU HD23 H 1 0.71 0.02 . 1 . . . . A 52 LEU HD23 . 34452 1 593 . 1 1 52 52 LEU C C 13 179.30 0.05 . 1 . . . . A 52 LEU C . 34452 1 594 . 1 1 52 52 LEU CA C 13 53.33 0.05 . 1 . . . . A 52 LEU CA . 34452 1 595 . 1 1 52 52 LEU CB C 13 46.40 0.05 . 1 . . . . A 52 LEU CB . 34452 1 596 . 1 1 52 52 LEU CG C 13 27.04 0.05 . 1 . . . . A 52 LEU CG . 34452 1 597 . 1 1 52 52 LEU CD1 C 13 26.70 0.05 . 1 . . . . A 52 LEU CD1 . 34452 1 598 . 1 1 52 52 LEU CD2 C 13 24.49 0.05 . 1 . . . . A 52 LEU CD2 . 34452 1 599 . 1 1 52 52 LEU N N 15 119.79 0.05 . 1 . . . . A 52 LEU N . 34452 1 600 . 1 1 53 53 VAL H H 1 8.58 0.02 . 1 . . . . A 53 VAL H . 34452 1 601 . 1 1 53 53 VAL HA H 1 4.90 0.02 . 1 . . . . A 53 VAL HA . 34452 1 602 . 1 1 53 53 VAL HB H 1 1.76 0.02 . 1 . . . . A 53 VAL HB . 34452 1 603 . 1 1 53 53 VAL HG11 H 1 0.64 0.02 . 1 . . . . A 53 VAL HG11 . 34452 1 604 . 1 1 53 53 VAL HG12 H 1 0.64 0.02 . 1 . . . . A 53 VAL HG12 . 34452 1 605 . 1 1 53 53 VAL HG13 H 1 0.64 0.02 . 1 . . . . A 53 VAL HG13 . 34452 1 606 . 1 1 53 53 VAL HG21 H 1 0.44 0.02 . 1 . . . . A 53 VAL HG21 . 34452 1 607 . 1 1 53 53 VAL HG22 H 1 0.44 0.02 . 1 . . . . A 53 VAL HG22 . 34452 1 608 . 1 1 53 53 VAL HG23 H 1 0.44 0.02 . 1 . . . . A 53 VAL HG23 . 34452 1 609 . 1 1 53 53 VAL C C 13 175.00 0.05 . 1 . . . . A 53 VAL C . 34452 1 610 . 1 1 53 53 VAL CA C 13 60.62 0.05 . 1 . . . . A 53 VAL CA . 34452 1 611 . 1 1 53 53 VAL CB C 13 34.56 0.05 . 1 . . . . A 53 VAL CB . 34452 1 612 . 1 1 53 53 VAL CG1 C 13 21.48 0.05 . 1 . . . . A 53 VAL CG1 . 34452 1 613 . 1 1 53 53 VAL CG2 C 13 20.52 0.05 . 1 . . . . A 53 VAL CG2 . 34452 1 614 . 1 1 53 53 VAL N N 15 120.62 0.05 . 1 . . . . A 53 VAL N . 34452 1 615 . 1 1 54 54 VAL H H 1 8.35 0.02 . 1 . . . . A 54 VAL H . 34452 1 616 . 1 1 54 54 VAL HA H 1 4.73 0.02 . 1 . . . . A 54 VAL HA . 34452 1 617 . 1 1 54 54 VAL HB H 1 2.07 0.02 . 1 . . . . A 54 VAL HB . 34452 1 618 . 1 1 54 54 VAL HG11 H 1 0.75 0.02 . 1 . . . . A 54 VAL HG11 . 34452 1 619 . 1 1 54 54 VAL HG12 H 1 0.75 0.02 . 1 . . . . A 54 VAL HG12 . 34452 1 620 . 1 1 54 54 VAL HG13 H 1 0.75 0.02 . 1 . . . . A 54 VAL HG13 . 34452 1 621 . 1 1 54 54 VAL HG21 H 1 0.79 0.02 . 1 . . . . A 54 VAL HG21 . 34452 1 622 . 1 1 54 54 VAL HG22 H 1 0.79 0.02 . 1 . . . . A 54 VAL HG22 . 34452 1 623 . 1 1 54 54 VAL HG23 H 1 0.79 0.02 . 1 . . . . A 54 VAL HG23 . 34452 1 624 . 1 1 54 54 VAL CA C 13 58.78 0.05 . 1 . . . . A 54 VAL CA . 34452 1 625 . 1 1 54 54 VAL CB C 13 35.15 0.05 . 1 . . . . A 54 VAL CB . 34452 1 626 . 1 1 54 54 VAL CG1 C 13 23.04 0.05 . 1 . . . . A 54 VAL CG1 . 34452 1 627 . 1 1 54 54 VAL CG2 C 13 20.01 0.05 . 1 . . . . A 54 VAL CG2 . 34452 1 628 . 1 1 54 54 VAL N N 15 117.54 0.05 . 1 . . . . A 54 VAL N . 34452 1 629 . 1 1 55 55 SER H H 1 9.21 0.02 . 1 . . . . A 55 SER H . 34452 1 630 . 1 1 55 55 SER HA H 1 4.44 0.02 . 1 . . . . A 55 SER HA . 34452 1 631 . 1 1 55 55 SER HB2 H 1 3.84 0.02 . 1 . . . . A 55 SER HB2 . 34452 1 632 . 1 1 55 55 SER HB3 H 1 3.84 0.02 . 1 . . . . A 55 SER HB3 . 34452 1 633 . 1 1 55 55 SER C C 13 173.47 0.05 . 1 . . . . A 55 SER C . 34452 1 634 . 1 1 55 55 SER CA C 13 58.05 0.05 . 1 . . . . A 55 SER CA . 34452 1 635 . 1 1 55 55 SER CB C 13 64.54 0.05 . 1 . . . . A 55 SER CB . 34452 1 636 . 1 1 56 56 SER H H 1 7.59 0.02 . 1 . . . . A 56 SER H . 34452 1 637 . 1 1 56 56 SER HA H 1 4.58 0.02 . 1 . . . . A 56 SER HA . 34452 1 638 . 1 1 56 56 SER HB2 H 1 4.15 0.02 . 1 . . . . A 56 SER HB2 . 34452 1 639 . 1 1 56 56 SER HB3 H 1 4.00 0.02 . 1 . . . . A 56 SER HB3 . 34452 1 640 . 1 1 56 56 SER CA C 13 56.72 0.05 . 1 . . . . A 56 SER CA . 34452 1 641 . 1 1 56 56 SER CB C 13 65.81 0.05 . 1 . . . . A 56 SER CB . 34452 1 642 . 1 1 56 56 SER N N 15 111.12 0.05 . 1 . . . . A 56 SER N . 34452 1 643 . 1 1 57 57 GLY HA2 H 1 3.61 0.02 . 1 . . . . A 57 GLY HA2 . 34452 1 644 . 1 1 57 57 GLY HA3 H 1 3.88 0.02 . 1 . . . . A 57 GLY HA3 . 34452 1 645 . 1 1 57 57 GLY CA C 13 47.18 0.05 . 1 . . . . A 57 GLY CA . 34452 1 646 . 1 1 58 58 GLN HA H 1 3.88 0.02 . 1 . . . . A 58 GLN HA . 34452 1 647 . 1 1 58 58 GLN HB2 H 1 1.83 0.02 . 1 . . . . A 58 GLN HB2 . 34452 1 648 . 1 1 58 58 GLN HB3 H 1 1.83 0.02 . 1 . . . . A 58 GLN HB3 . 34452 1 649 . 1 1 58 58 GLN HG2 H 1 2.19 0.02 . 2 . . . . A 58 GLN HG2 . 34452 1 650 . 1 1 58 58 GLN HG3 H 1 2.02 0.02 . 2 . . . . A 58 GLN HG3 . 34452 1 651 . 1 1 58 58 GLN HE21 H 1 6.84 0.02 . 2 . . . . A 58 GLN HE21 . 34452 1 652 . 1 1 58 58 GLN HE22 H 1 7.34 0.02 . 2 . . . . A 58 GLN HE22 . 34452 1 653 . 1 1 58 58 GLN C C 13 178.32 0.05 . 1 . . . . A 58 GLN C . 34452 1 654 . 1 1 58 58 GLN CA C 13 58.76 0.05 . 1 . . . . A 58 GLN CA . 34452 1 655 . 1 1 58 58 GLN CB C 13 27.93 0.05 . 1 . . . . A 58 GLN CB . 34452 1 656 . 1 1 58 58 GLN CG C 13 33.69 0.05 . 1 . . . . A 58 GLN CG . 34452 1 657 . 1 1 58 58 GLN NE2 N 15 113.73 0.05 . 1 . . . . A 58 GLN NE2 . 34452 1 658 . 1 1 59 59 GLY H H 1 8.15 0.02 . 1 . . . . A 59 GLY H . 34452 1 659 . 1 1 59 59 GLY HA2 H 1 3.95 0.02 . 2 . . . . A 59 GLY HA2 . 34452 1 660 . 1 1 59 59 GLY HA3 H 1 3.73 0.02 . 2 . . . . A 59 GLY HA3 . 34452 1 661 . 1 1 59 59 GLY C C 13 175.63 0.05 . 1 . . . . A 59 GLY C . 34452 1 662 . 1 1 59 59 GLY CA C 13 46.98 0.05 . 1 . . . . A 59 GLY CA . 34452 1 663 . 1 1 59 59 GLY N N 15 108.92 0.05 . 1 . . . . A 59 GLY N . 34452 1 664 . 1 1 60 60 LEU H H 1 7.58 0.02 . 1 . . . . A 60 LEU H . 34452 1 665 . 1 1 60 60 LEU HA H 1 3.98 0.02 . 1 . . . . A 60 LEU HA . 34452 1 666 . 1 1 60 60 LEU HB2 H 1 1.23 0.02 . 1 . . . . A 60 LEU HB2 . 34452 1 667 . 1 1 60 60 LEU HB3 H 1 2.17 0.02 . 1 . . . . A 60 LEU HB3 . 34452 1 668 . 1 1 60 60 LEU HG H 1 1.25 0.02 . 1 . . . . A 60 LEU HG . 34452 1 669 . 1 1 60 60 LEU HD11 H 1 0.72 0.02 . 1 . . . . A 60 LEU HD11 . 34452 1 670 . 1 1 60 60 LEU HD12 H 1 0.72 0.02 . 1 . . . . A 60 LEU HD12 . 34452 1 671 . 1 1 60 60 LEU HD13 H 1 0.72 0.02 . 1 . . . . A 60 LEU HD13 . 34452 1 672 . 1 1 60 60 LEU HD21 H 1 0.66 0.02 . 1 . . . . A 60 LEU HD21 . 34452 1 673 . 1 1 60 60 LEU HD22 H 1 0.66 0.02 . 1 . . . . A 60 LEU HD22 . 34452 1 674 . 1 1 60 60 LEU HD23 H 1 0.66 0.02 . 1 . . . . A 60 LEU HD23 . 34452 1 675 . 1 1 60 60 LEU C C 13 177.04 0.05 . 1 . . . . A 60 LEU C . 34452 1 676 . 1 1 60 60 LEU CA C 13 57.89 0.05 . 1 . . . . A 60 LEU CA . 34452 1 677 . 1 1 60 60 LEU CB C 13 41.06 0.05 . 1 . . . . A 60 LEU CB . 34452 1 678 . 1 1 60 60 LEU CG C 13 26.93 0.05 . 1 . . . . A 60 LEU CG . 34452 1 679 . 1 1 60 60 LEU CD1 C 13 26.93 0.05 . 1 . . . . A 60 LEU CD1 . 34452 1 680 . 1 1 60 60 LEU CD2 C 13 23.21 0.05 . 1 . . . . A 60 LEU CD2 . 34452 1 681 . 1 1 60 60 LEU N N 15 121.72 0.05 . 1 . . . . A 60 LEU N . 34452 1 682 . 1 1 61 61 GLN H H 1 7.87 0.02 . 1 . . . . A 61 GLN H . 34452 1 683 . 1 1 61 61 GLN HA H 1 3.66 0.02 . 1 . . . . A 61 GLN HA . 34452 1 684 . 1 1 61 61 GLN HB2 H 1 1.99 0.02 . 2 . . . . A 61 GLN HB2 . 34452 1 685 . 1 1 61 61 GLN HB3 H 1 1.94 0.02 . 2 . . . . A 61 GLN HB3 . 34452 1 686 . 1 1 61 61 GLN HG2 H 1 2.22 0.02 . 2 . . . . A 61 GLN HG2 . 34452 1 687 . 1 1 61 61 GLN HG3 H 1 2.19 0.02 . 2 . . . . A 61 GLN HG3 . 34452 1 688 . 1 1 61 61 GLN HE21 H 1 7.11 0.02 . 1 . . . . A 61 GLN HE21 . 34452 1 689 . 1 1 61 61 GLN HE22 H 1 6.48 0.02 . 1 . . . . A 61 GLN HE22 . 34452 1 690 . 1 1 61 61 GLN C C 13 178.33 0.05 . 1 . . . . A 61 GLN C . 34452 1 691 . 1 1 61 61 GLN CA C 13 58.71 0.05 . 1 . . . . A 61 GLN CA . 34452 1 692 . 1 1 61 61 GLN CB C 13 27.32 0.05 . 1 . . . . A 61 GLN CB . 34452 1 693 . 1 1 61 61 GLN CG C 13 33.46 0.05 . 1 . . . . A 61 GLN CG . 34452 1 694 . 1 1 61 61 GLN N N 15 118.22 0.05 . 1 . . . . A 61 GLN N . 34452 1 695 . 1 1 61 61 GLN NE2 N 15 110.54 0.05 . 1 . . . . A 61 GLN NE2 . 34452 1 696 . 1 1 62 62 ASN H H 1 8.39 0.02 . 1 . . . . A 62 ASN H . 34452 1 697 . 1 1 62 62 ASN HA H 1 4.33 0.02 . 1 . . . . A 62 ASN HA . 34452 1 698 . 1 1 62 62 ASN HB2 H 1 2.89 0.02 . 1 . . . . A 62 ASN HB2 . 34452 1 699 . 1 1 62 62 ASN HB3 H 1 2.68 0.02 . 1 . . . . A 62 ASN HB3 . 34452 1 700 . 1 1 62 62 ASN HD21 H 1 7.45 0.02 . 1 . . . . A 62 ASN HD21 . 34452 1 701 . 1 1 62 62 ASN HD22 H 1 7.00 0.02 . 1 . . . . A 62 ASN HD22 . 34452 1 702 . 1 1 62 62 ASN C C 13 177.29 0.05 . 1 . . . . A 62 ASN C . 34452 1 703 . 1 1 62 62 ASN CA C 13 55.62 0.05 . 1 . . . . A 62 ASN CA . 34452 1 704 . 1 1 62 62 ASN CB C 13 37.67 0.05 . 1 . . . . A 62 ASN CB . 34452 1 705 . 1 1 62 62 ASN N N 15 118.31 0.05 . 1 . . . . A 62 ASN N . 34452 1 706 . 1 1 62 62 ASN ND2 N 15 111.18 0.05 . 1 . . . . A 62 ASN ND2 . 34452 1 707 . 1 1 63 63 LEU H H 1 8.26 0.02 . 1 . . . . A 63 LEU H . 34452 1 708 . 1 1 63 63 LEU HA H 1 3.88 0.02 . 1 . . . . A 63 LEU HA . 34452 1 709 . 1 1 63 63 LEU HB2 H 1 2.06 0.02 . 2 . . . . A 63 LEU HB2 . 34452 1 710 . 1 1 63 63 LEU HB3 H 1 1.39 0.02 . 2 . . . . A 63 LEU HB3 . 34452 1 711 . 1 1 63 63 LEU HG H 1 1.46 0.02 . 1 . . . . A 63 LEU HG . 34452 1 712 . 1 1 63 63 LEU HD11 H 1 0.76 0.02 . 1 . . . . A 63 LEU HD11 . 34452 1 713 . 1 1 63 63 LEU HD12 H 1 0.76 0.02 . 1 . . . . A 63 LEU HD12 . 34452 1 714 . 1 1 63 63 LEU HD13 H 1 0.76 0.02 . 1 . . . . A 63 LEU HD13 . 34452 1 715 . 1 1 63 63 LEU HD21 H 1 0.82 0.02 . 1 . . . . A 63 LEU HD21 . 34452 1 716 . 1 1 63 63 LEU HD22 H 1 0.82 0.02 . 1 . . . . A 63 LEU HD22 . 34452 1 717 . 1 1 63 63 LEU HD23 H 1 0.82 0.02 . 1 . . . . A 63 LEU HD23 . 34452 1 718 . 1 1 63 63 LEU C C 13 176.78 0.05 . 1 . . . . A 63 LEU C . 34452 1 719 . 1 1 63 63 LEU CA C 13 58.25 0.05 . 1 . . . . A 63 LEU CA . 34452 1 720 . 1 1 63 63 LEU CB C 13 41.61 0.05 . 1 . . . . A 63 LEU CB . 34452 1 721 . 1 1 63 63 LEU CG C 13 27.05 0.05 . 1 . . . . A 63 LEU CG . 34452 1 722 . 1 1 63 63 LEU CD1 C 13 23.22 0.05 . 1 . . . . A 63 LEU CD1 . 34452 1 723 . 1 1 63 63 LEU CD2 C 13 26.99 0.05 . 1 . . . . A 63 LEU CD2 . 34452 1 724 . 1 1 63 63 LEU N N 15 122.72 0.05 . 1 . . . . A 63 LEU N . 34452 1 725 . 1 1 64 64 TYR H H 1 8.25 0.02 . 1 . . . . A 64 TYR H . 34452 1 726 . 1 1 64 64 TYR HA H 1 3.36 0.02 . 1 . . . . A 64 TYR HA . 34452 1 727 . 1 1 64 64 TYR HB2 H 1 2.05 0.02 . 1 . . . . A 64 TYR HB2 . 34452 1 728 . 1 1 64 64 TYR HB3 H 1 2.67 0.02 . 1 . . . . A 64 TYR HB3 . 34452 1 729 . 1 1 64 64 TYR HD1 H 1 5.58 0.02 . 1 . . . . A 64 TYR HD1 . 34452 1 730 . 1 1 64 64 TYR HD2 H 1 5.58 0.02 . 1 . . . . A 64 TYR HD2 . 34452 1 731 . 1 1 64 64 TYR HE1 H 1 6.10 0.02 . 1 . . . . A 64 TYR HE1 . 34452 1 732 . 1 1 64 64 TYR HE2 H 1 6.10 0.02 . 1 . . . . A 64 TYR HE2 . 34452 1 733 . 1 1 64 64 TYR C C 13 178.00 0.05 . 1 . . . . A 64 TYR C . 34452 1 734 . 1 1 64 64 TYR CA C 13 61.03 0.05 . 1 . . . . A 64 TYR CA . 34452 1 735 . 1 1 64 64 TYR CB C 13 38.22 0.05 . 1 . . . . A 64 TYR CB . 34452 1 736 . 1 1 64 64 TYR CD1 C 13 132.23 0.05 . 1 . . . . A 64 TYR CD1 . 34452 1 737 . 1 1 64 64 TYR CD2 C 13 132.23 0.05 . 1 . . . . A 64 TYR CD2 . 34452 1 738 . 1 1 64 64 TYR N N 15 119.79 0.05 . 1 . . . . A 64 TYR N . 34452 1 739 . 1 1 65 65 GLN H H 1 8.06 0.02 . 1 . . . . A 65 GLN H . 34452 1 740 . 1 1 65 65 GLN HA H 1 3.68 0.02 . 1 . . . . A 65 GLN HA . 34452 1 741 . 1 1 65 65 GLN HB2 H 1 2.03 0.02 . 2 . . . . A 65 GLN HB2 . 34452 1 742 . 1 1 65 65 GLN HB3 H 1 1.98 0.02 . 2 . . . . A 65 GLN HB3 . 34452 1 743 . 1 1 65 65 GLN HG2 H 1 2.47 0.02 . 2 . . . . A 65 GLN HG2 . 34452 1 744 . 1 1 65 65 GLN HG3 H 1 2.26 0.02 . 2 . . . . A 65 GLN HG3 . 34452 1 745 . 1 1 65 65 GLN HE21 H 1 7.38 0.02 . 1 . . . . A 65 GLN HE21 . 34452 1 746 . 1 1 65 65 GLN HE22 H 1 6.75 0.02 . 1 . . . . A 65 GLN HE22 . 34452 1 747 . 1 1 65 65 GLN C C 13 178.93 0.05 . 1 . . . . A 65 GLN C . 34452 1 748 . 1 1 65 65 GLN CA C 13 58.45 0.05 . 1 . . . . A 65 GLN CA . 34452 1 749 . 1 1 65 65 GLN CB C 13 28.05 0.05 . 1 . . . . A 65 GLN CB . 34452 1 750 . 1 1 65 65 GLN CG C 13 33.86 0.05 . 1 . . . . A 65 GLN CG . 34452 1 751 . 1 1 65 65 GLN N N 15 117.90 0.05 . 1 . . . . A 65 GLN N . 34452 1 752 . 1 1 65 65 GLN NE2 N 15 111.30 0.05 . 1 . . . . A 65 GLN NE2 . 34452 1 753 . 1 1 66 66 LEU H H 1 8.18 0.02 . 1 . . . . A 66 LEU H . 34452 1 754 . 1 1 66 66 LEU HA H 1 4.00 0.02 . 1 . . . . A 66 LEU HA . 34452 1 755 . 1 1 66 66 LEU HB2 H 1 1.40 0.02 . 1 . . . . A 66 LEU HB2 . 34452 1 756 . 1 1 66 66 LEU HB3 H 1 1.84 0.02 . 1 . . . . A 66 LEU HB3 . 34452 1 757 . 1 1 66 66 LEU HG H 1 1.77 0.02 . 1 . . . . A 66 LEU HG . 34452 1 758 . 1 1 66 66 LEU HD11 H 1 0.78 0.02 . 1 . . . . A 66 LEU HD11 . 34452 1 759 . 1 1 66 66 LEU HD12 H 1 0.78 0.02 . 1 . . . . A 66 LEU HD12 . 34452 1 760 . 1 1 66 66 LEU HD13 H 1 0.78 0.02 . 1 . . . . A 66 LEU HD13 . 34452 1 761 . 1 1 66 66 LEU HD21 H 1 0.79 0.02 . 1 . . . . A 66 LEU HD21 . 34452 1 762 . 1 1 66 66 LEU HD22 H 1 0.79 0.02 . 1 . . . . A 66 LEU HD22 . 34452 1 763 . 1 1 66 66 LEU HD23 H 1 0.79 0.02 . 1 . . . . A 66 LEU HD23 . 34452 1 764 . 1 1 66 66 LEU C C 13 174.83 0.05 . 1 . . . . A 66 LEU C . 34452 1 765 . 1 1 66 66 LEU CA C 13 57.17 0.05 . 1 . . . . A 66 LEU CA . 34452 1 766 . 1 1 66 66 LEU CB C 13 42.77 0.05 . 1 . . . . A 66 LEU CB . 34452 1 767 . 1 1 66 66 LEU CG C 13 26.69 0.05 . 1 . . . . A 66 LEU CG . 34452 1 768 . 1 1 66 66 LEU CD1 C 13 25.82 0.05 . 1 . . . . A 66 LEU CD1 . 34452 1 769 . 1 1 66 66 LEU CD2 C 13 24.38 0.05 . 1 . . . . A 66 LEU CD2 . 34452 1 770 . 1 1 66 66 LEU N N 15 119.75 0.05 . 1 . . . . A 66 LEU N . 34452 1 771 . 1 1 67 67 ALA H H 1 8.59 0.02 . 1 . . . . A 67 ALA H . 34452 1 772 . 1 1 67 67 ALA HA H 1 3.79 0.02 . 1 . . . . A 67 ALA HA . 34452 1 773 . 1 1 67 67 ALA HB1 H 1 1.46 0.02 . 1 . . . . A 67 ALA HB1 . 34452 1 774 . 1 1 67 67 ALA HB2 H 1 1.46 0.02 . 1 . . . . A 67 ALA HB2 . 34452 1 775 . 1 1 67 67 ALA HB3 H 1 1.46 0.02 . 1 . . . . A 67 ALA HB3 . 34452 1 776 . 1 1 67 67 ALA C C 13 177.75 0.05 . 1 . . . . A 67 ALA C . 34452 1 777 . 1 1 67 67 ALA CA C 13 54.41 0.05 . 1 . . . . A 67 ALA CA . 34452 1 778 . 1 1 67 67 ALA CB C 13 19.31 0.05 . 1 . . . . A 67 ALA CB . 34452 1 779 . 1 1 67 67 ALA N N 15 120.61 0.05 . 1 . . . . A 67 ALA N . 34452 1 780 . 1 1 68 68 ALA H H 1 7.50 0.02 . 1 . . . . A 68 ALA H . 34452 1 781 . 1 1 68 68 ALA HA H 1 3.72 0.02 . 1 . . . . A 68 ALA HA . 34452 1 782 . 1 1 68 68 ALA HB1 H 1 1.37 0.02 . 1 . . . . A 68 ALA HB1 . 34452 1 783 . 1 1 68 68 ALA HB2 H 1 1.37 0.02 . 1 . . . . A 68 ALA HB2 . 34452 1 784 . 1 1 68 68 ALA HB3 H 1 1.37 0.02 . 1 . . . . A 68 ALA HB3 . 34452 1 785 . 1 1 68 68 ALA C C 13 178.59 0.05 . 1 . . . . A 68 ALA C . 34452 1 786 . 1 1 68 68 ALA CA C 13 53.25 0.05 . 1 . . . . A 68 ALA CA . 34452 1 787 . 1 1 68 68 ALA CB C 13 16.84 0.05 . 1 . . . . A 68 ALA CB . 34452 1 788 . 1 1 68 68 ALA N N 15 118.92 0.05 . 1 . . . . A 68 ALA N . 34452 1 789 . 1 1 69 69 ALA H H 1 8.24 0.02 . 1 . . . . A 69 ALA H . 34452 1 790 . 1 1 69 69 ALA HA H 1 4.17 0.02 . 1 . . . . A 69 ALA HA . 34452 1 791 . 1 1 69 69 ALA HB1 H 1 1.38 0.02 . 1 . . . . A 69 ALA HB1 . 34452 1 792 . 1 1 69 69 ALA HB2 H 1 1.38 0.02 . 1 . . . . A 69 ALA HB2 . 34452 1 793 . 1 1 69 69 ALA HB3 H 1 1.38 0.02 . 1 . . . . A 69 ALA HB3 . 34452 1 794 . 1 1 69 69 ALA C C 13 177.66 0.05 . 1 . . . . A 69 ALA C . 34452 1 795 . 1 1 69 69 ALA CA C 13 54.16 0.05 . 1 . . . . A 69 ALA CA . 34452 1 796 . 1 1 69 69 ALA CB C 13 18.16 0.05 . 1 . . . . A 69 ALA CB . 34452 1 797 . 1 1 69 69 ALA N N 15 124.99 0.05 . 1 . . . . A 69 ALA N . 34452 1 798 . 1 1 70 70 ASP H H 1 8.08 0.02 . 1 . . . . A 70 ASP H . 34452 1 799 . 1 1 70 70 ASP HA H 1 4.93 0.02 . 1 . . . . A 70 ASP HA . 34452 1 800 . 1 1 70 70 ASP HB2 H 1 2.65 0.02 . 1 . . . . A 70 ASP HB2 . 34452 1 801 . 1 1 70 70 ASP HB3 H 1 2.80 0.02 . 1 . . . . A 70 ASP HB3 . 34452 1 802 . 1 1 70 70 ASP C C 13 176.51 0.05 . 1 . . . . A 70 ASP C . 34452 1 803 . 1 1 70 70 ASP CA C 13 54.11 0.05 . 1 . . . . A 70 ASP CA . 34452 1 804 . 1 1 70 70 ASP CB C 13 41.88 0.05 . 1 . . . . A 70 ASP CB . 34452 1 805 . 1 1 70 70 ASP N N 15 113.65 0.05 . 1 . . . . A 70 ASP N . 34452 1 806 . 1 1 71 71 TRP H H 1 7.73 0.02 . 1 . . . . A 71 TRP H . 34452 1 807 . 1 1 71 71 TRP HA H 1 4.39 0.02 . 1 . . . . A 71 TRP HA . 34452 1 808 . 1 1 71 71 TRP HB2 H 1 3.18 0.02 . 1 . . . . A 71 TRP HB2 . 34452 1 809 . 1 1 71 71 TRP HB3 H 1 3.27 0.02 . 1 . . . . A 71 TRP HB3 . 34452 1 810 . 1 1 71 71 TRP HD1 H 1 7.24 0.02 . 1 . . . . A 71 TRP HD1 . 34452 1 811 . 1 1 71 71 TRP HE1 H 1 9.84 0.02 . 1 . . . . A 71 TRP HE1 . 34452 1 812 . 1 1 71 71 TRP HE3 H 1 7.03 0.02 . 1 . . . . A 71 TRP HE3 . 34452 1 813 . 1 1 71 71 TRP HZ2 H 1 6.89 0.02 . 1 . . . . A 71 TRP HZ2 . 34452 1 814 . 1 1 71 71 TRP HZ3 H 1 6.54 0.02 . 1 . . . . A 71 TRP HZ3 . 34452 1 815 . 1 1 71 71 TRP HH2 H 1 6.67 0.02 . 1 . . . . A 71 TRP HH2 . 34452 1 816 . 1 1 71 71 TRP CA C 13 61.02 0.05 . 1 . . . . A 71 TRP CA . 34452 1 817 . 1 1 71 71 TRP CB C 13 28.05 0.05 . 1 . . . . A 71 TRP CB . 34452 1 818 . 1 1 71 71 TRP CD1 C 13 127.87 0.05 . 1 . . . . A 71 TRP CD1 . 34452 1 819 . 1 1 71 71 TRP CE3 C 13 120.12 0.05 . 1 . . . . A 71 TRP CE3 . 34452 1 820 . 1 1 71 71 TRP CZ2 C 13 113.57 0.05 . 1 . . . . A 71 TRP CZ2 . 34452 1 821 . 1 1 71 71 TRP CH2 C 13 122.37 0.05 . 1 . . . . A 71 TRP CH2 . 34452 1 822 . 1 1 71 71 TRP N N 15 122.20 0.05 . 1 . . . . A 71 TRP N . 34452 1 823 . 1 1 71 71 TRP NE1 N 15 127.10 0.05 . 1 . . . . A 71 TRP NE1 . 34452 1 824 . 1 1 72 72 PRO HA H 1 3.77 0.02 . 1 . . . . A 72 PRO HA . 34452 1 825 . 1 1 72 72 PRO HB2 H 1 2.13 0.02 . 2 . . . . A 72 PRO HB2 . 34452 1 826 . 1 1 72 72 PRO HB3 H 1 1.63 0.02 . 2 . . . . A 72 PRO HB3 . 34452 1 827 . 1 1 72 72 PRO HG2 H 1 2.07 0.02 . 2 . . . . A 72 PRO HG2 . 34452 1 828 . 1 1 72 72 PRO HG3 H 1 1.84 0.02 . 2 . . . . A 72 PRO HG3 . 34452 1 829 . 1 1 72 72 PRO HD2 H 1 3.69 0.02 . 2 . . . . A 72 PRO HD2 . 34452 1 830 . 1 1 72 72 PRO HD3 H 1 3.59 0.02 . 2 . . . . A 72 PRO HD3 . 34452 1 831 . 1 1 72 72 PRO CA C 13 66.29 0.05 . 1 . . . . A 72 PRO CA . 34452 1 832 . 1 1 72 72 PRO CB C 13 30.35 0.05 . 1 . . . . A 72 PRO CB . 34452 1 833 . 1 1 72 72 PRO CG C 13 28.65 0.05 . 1 . . . . A 72 PRO CG . 34452 1 834 . 1 1 72 72 PRO CD C 13 49.61 0.05 . 1 . . . . A 72 PRO CD . 34452 1 835 . 1 1 73 73 GLU H H 1 6.99 0.02 . 1 . . . . A 73 GLU H . 34452 1 836 . 1 1 73 73 GLU HA H 1 3.90 0.02 . 1 . . . . A 73 GLU HA . 34452 1 837 . 1 1 73 73 GLU HB2 H 1 1.84 0.02 . 2 . . . . A 73 GLU HB2 . 34452 1 838 . 1 1 73 73 GLU HB3 H 1 1.78 0.02 . 2 . . . . A 73 GLU HB3 . 34452 1 839 . 1 1 73 73 GLU HG2 H 1 2.03 0.02 . 1 . . . . A 73 GLU HG2 . 34452 1 840 . 1 1 73 73 GLU HG3 H 1 2.03 0.02 . 1 . . . . A 73 GLU HG3 . 34452 1 841 . 1 1 73 73 GLU C C 13 179.37 0.05 . 1 . . . . A 73 GLU C . 34452 1 842 . 1 1 73 73 GLU CA C 13 58.06 0.05 . 1 . . . . A 73 GLU CA . 34452 1 843 . 1 1 73 73 GLU CB C 13 30.65 0.05 . 1 . . . . A 73 GLU CB . 34452 1 844 . 1 1 73 73 GLU CG C 13 35.78 0.05 . 1 . . . . A 73 GLU CG . 34452 1 845 . 1 1 73 73 GLU N N 15 113.20 0.05 . 1 . . . . A 73 GLU N . 34452 1 846 . 1 1 74 74 ILE H H 1 8.01 0.02 . 1 . . . . A 74 ILE H . 34452 1 847 . 1 1 74 74 ILE HA H 1 3.37 0.02 . 1 . . . . A 74 ILE HA . 34452 1 848 . 1 1 74 74 ILE HB H 1 1.65 0.02 . 1 . . . . A 74 ILE HB . 34452 1 849 . 1 1 74 74 ILE HG12 H 1 1.31 0.02 . 2 . . . . A 74 ILE HG12 . 34452 1 850 . 1 1 74 74 ILE HG13 H 1 1.14 0.02 . 2 . . . . A 74 ILE HG13 . 34452 1 851 . 1 1 74 74 ILE HG21 H 1 0.68 0.02 . 1 . . . . A 74 ILE HG21 . 34452 1 852 . 1 1 74 74 ILE HG22 H 1 0.68 0.02 . 1 . . . . A 74 ILE HG22 . 34452 1 853 . 1 1 74 74 ILE HG23 H 1 0.68 0.02 . 1 . . . . A 74 ILE HG23 . 34452 1 854 . 1 1 74 74 ILE HD11 H 1 0.56 0.02 . 1 . . . . A 74 ILE HD11 . 34452 1 855 . 1 1 74 74 ILE HD12 H 1 0.56 0.02 . 1 . . . . A 74 ILE HD12 . 34452 1 856 . 1 1 74 74 ILE HD13 H 1 0.56 0.02 . 1 . . . . A 74 ILE HD13 . 34452 1 857 . 1 1 74 74 ILE C C 13 176.63 0.05 . 1 . . . . A 74 ILE C . 34452 1 858 . 1 1 74 74 ILE CA C 13 62.68 0.05 . 1 . . . . A 74 ILE CA . 34452 1 859 . 1 1 74 74 ILE CB C 13 36.85 0.05 . 1 . . . . A 74 ILE CB . 34452 1 860 . 1 1 74 74 ILE CG1 C 13 28.91 0.05 . 1 . . . . A 74 ILE CG1 . 34452 1 861 . 1 1 74 74 ILE CG2 C 13 17.24 0.05 . 1 . . . . A 74 ILE CG2 . 34452 1 862 . 1 1 74 74 ILE CD1 C 13 11.61 0.05 . 1 . . . . A 74 ILE CD1 . 34452 1 863 . 1 1 74 74 ILE N N 15 121.81 0.05 . 1 . . . . A 74 ILE N . 34452 1 864 . 1 1 75 75 GLY H H 1 8.44 0.02 . 1 . . . . A 75 GLY H . 34452 1 865 . 1 1 75 75 GLY HA2 H 1 2.96 0.02 . 1 . . . . A 75 GLY HA2 . 34452 1 866 . 1 1 75 75 GLY HA3 H 1 2.38 0.02 . 1 . . . . A 75 GLY HA3 . 34452 1 867 . 1 1 75 75 GLY C C 13 174.13 0.05 . 1 . . . . A 75 GLY C . 34452 1 868 . 1 1 75 75 GLY CA C 13 44.40 0.05 . 1 . . . . A 75 GLY CA . 34452 1 869 . 1 1 75 75 GLY N N 15 103.84 0.05 . 1 . . . . A 75 GLY N . 34452 1 870 . 1 1 76 76 ARG H H 1 6.75 0.02 . 1 . . . . A 76 ARG H . 34452 1 871 . 1 1 76 76 ARG HA H 1 3.79 0.02 . 1 . . . . A 76 ARG HA . 34452 1 872 . 1 1 76 76 ARG HB2 H 1 1.63 0.02 . 1 . . . . A 76 ARG HB2 . 34452 1 873 . 1 1 76 76 ARG HB3 H 1 1.52 0.02 . 1 . . . . A 76 ARG HB3 . 34452 1 874 . 1 1 76 76 ARG HG2 H 1 1.65 0.02 . 2 . . . . A 76 ARG HG2 . 34452 1 875 . 1 1 76 76 ARG HG3 H 1 1.27 0.02 . 2 . . . . A 76 ARG HG3 . 34452 1 876 . 1 1 76 76 ARG HD2 H 1 2.94 0.02 . 1 . . . . A 76 ARG HD2 . 34452 1 877 . 1 1 76 76 ARG HD3 H 1 2.94 0.02 . 1 . . . . A 76 ARG HD3 . 34452 1 878 . 1 1 76 76 ARG C C 13 176.49 0.05 . 1 . . . . A 76 ARG C . 34452 1 879 . 1 1 76 76 ARG CA C 13 56.94 0.05 . 1 . . . . A 76 ARG CA . 34452 1 880 . 1 1 76 76 ARG CB C 13 30.82 0.05 . 1 . . . . A 76 ARG CB . 34452 1 881 . 1 1 76 76 ARG CG C 13 27.59 0.05 . 1 . . . . A 76 ARG CG . 34452 1 882 . 1 1 76 76 ARG CD C 13 43.54 0.05 . 1 . . . . A 76 ARG CD . 34452 1 883 . 1 1 76 76 ARG N N 15 118.57 0.05 . 1 . . . . A 76 ARG N . 34452 1 884 . 1 1 77 77 LEU H H 1 7.25 0.02 . 1 . . . . A 77 LEU H . 34452 1 885 . 1 1 77 77 LEU HA H 1 4.13 0.02 . 1 . . . . A 77 LEU HA . 34452 1 886 . 1 1 77 77 LEU HB2 H 1 1.68 0.02 . 1 . . . . A 77 LEU HB2 . 34452 1 887 . 1 1 77 77 LEU HB3 H 1 0.97 0.02 . 1 . . . . A 77 LEU HB3 . 34452 1 888 . 1 1 77 77 LEU HG H 1 1.52 0.02 . 1 . . . . A 77 LEU HG . 34452 1 889 . 1 1 77 77 LEU HD11 H 1 0.64 0.02 . 1 . . . . A 77 LEU HD11 . 34452 1 890 . 1 1 77 77 LEU HD12 H 1 0.64 0.02 . 1 . . . . A 77 LEU HD12 . 34452 1 891 . 1 1 77 77 LEU HD13 H 1 0.64 0.02 . 1 . . . . A 77 LEU HD13 . 34452 1 892 . 1 1 77 77 LEU HD21 H 1 0.56 0.02 . 1 . . . . A 77 LEU HD21 . 34452 1 893 . 1 1 77 77 LEU HD22 H 1 0.56 0.02 . 1 . . . . A 77 LEU HD22 . 34452 1 894 . 1 1 77 77 LEU HD23 H 1 0.56 0.02 . 1 . . . . A 77 LEU HD23 . 34452 1 895 . 1 1 77 77 LEU CA C 13 53.38 0.05 . 1 . . . . A 77 LEU CA . 34452 1 896 . 1 1 77 77 LEU CB C 13 41.17 0.05 . 1 . . . . A 77 LEU CB . 34452 1 897 . 1 1 77 77 LEU CG C 13 27.54 0.05 . 1 . . . . A 77 LEU CG . 34452 1 898 . 1 1 77 77 LEU CD1 C 13 25.42 0.05 . 1 . . . . A 77 LEU CD1 . 34452 1 899 . 1 1 77 77 LEU CD2 C 13 23.44 0.05 . 1 . . . . A 77 LEU CD2 . 34452 1 900 . 1 1 77 77 LEU N N 15 120.67 0.05 . 1 . . . . A 77 LEU N . 34452 1 901 . 1 1 78 78 PRO HA H 1 4.26 0.02 . 1 . . . . A 78 PRO HA . 34452 1 902 . 1 1 78 78 PRO HB2 H 1 1.66 0.02 . 2 . . . . A 78 PRO HB2 . 34452 1 903 . 1 1 78 78 PRO HB3 H 1 1.52 0.02 . 2 . . . . A 78 PRO HB3 . 34452 1 904 . 1 1 78 78 PRO HG2 H 1 2.20 0.02 . 2 . . . . A 78 PRO HG2 . 34452 1 905 . 1 1 78 78 PRO HG3 H 1 1.64 0.02 . 2 . . . . A 78 PRO HG3 . 34452 1 906 . 1 1 78 78 PRO HD2 H 1 3.64 0.02 . 2 . . . . A 78 PRO HD2 . 34452 1 907 . 1 1 78 78 PRO HD3 H 1 3.56 0.02 . 2 . . . . A 78 PRO HD3 . 34452 1 908 . 1 1 78 78 PRO CA C 13 63.54 0.05 . 1 . . . . A 78 PRO CA . 34452 1 909 . 1 1 78 78 PRO CB C 13 31.75 0.05 . 1 . . . . A 78 PRO CB . 34452 1 910 . 1 1 78 78 PRO CG C 13 28.45 0.05 . 1 . . . . A 78 PRO CG . 34452 1 911 . 1 1 78 78 PRO CD C 13 49.51 0.05 . 1 . . . . A 78 PRO CD . 34452 1 912 . 1 1 79 79 LEU H H 1 8.19 0.02 . 1 . . . . A 79 LEU H . 34452 1 913 . 1 1 79 79 LEU HA H 1 4.92 0.02 . 1 . . . . A 79 LEU HA . 34452 1 914 . 1 1 79 79 LEU HB2 H 1 1.48 0.02 . 2 . . . . A 79 LEU HB2 . 34452 1 915 . 1 1 79 79 LEU HB3 H 1 1.19 0.02 . 2 . . . . A 79 LEU HB3 . 34452 1 916 . 1 1 79 79 LEU HG H 1 1.21 0.02 . 1 . . . . A 79 LEU HG . 34452 1 917 . 1 1 79 79 LEU HD11 H 1 0.62 0.02 . 1 . . . . A 79 LEU HD11 . 34452 1 918 . 1 1 79 79 LEU HD12 H 1 0.62 0.02 . 1 . . . . A 79 LEU HD12 . 34452 1 919 . 1 1 79 79 LEU HD13 H 1 0.62 0.02 . 1 . . . . A 79 LEU HD13 . 34452 1 920 . 1 1 79 79 LEU HD21 H 1 0.59 0.02 . 1 . . . . A 79 LEU HD21 . 34452 1 921 . 1 1 79 79 LEU HD22 H 1 0.59 0.02 . 1 . . . . A 79 LEU HD22 . 34452 1 922 . 1 1 79 79 LEU HD23 H 1 0.59 0.02 . 1 . . . . A 79 LEU HD23 . 34452 1 923 . 1 1 79 79 LEU C C 13 174.34 0.05 . 1 . . . . A 79 LEU C . 34452 1 924 . 1 1 79 79 LEU CA C 13 52.70 0.05 . 1 . . . . A 79 LEU CA . 34452 1 925 . 1 1 79 79 LEU CB C 13 43.46 0.05 . 1 . . . . A 79 LEU CB . 34452 1 926 . 1 1 79 79 LEU CG C 13 27.11 0.05 . 1 . . . . A 79 LEU CG . 34452 1 927 . 1 1 79 79 LEU CD1 C 13 24.00 0.05 . 1 . . . . A 79 LEU CD1 . 34452 1 928 . 1 1 79 79 LEU CD2 C 13 26.60 0.05 . 1 . . . . A 79 LEU CD2 . 34452 1 929 . 1 1 79 79 LEU N N 15 127.22 0.05 . 1 . . . . A 79 LEU N . 34452 1 930 . 1 1 80 80 PHE H H 1 9.30 0.02 . 1 . . . . A 80 PHE H . 34452 1 931 . 1 1 80 80 PHE HA H 1 4.85 0.02 . 1 . . . . A 80 PHE HA . 34452 1 932 . 1 1 80 80 PHE HB2 H 1 2.94 0.02 . 1 . . . . A 80 PHE HB2 . 34452 1 933 . 1 1 80 80 PHE HB3 H 1 2.71 0.02 . 1 . . . . A 80 PHE HB3 . 34452 1 934 . 1 1 80 80 PHE HD1 H 1 7.05 0.02 . 1 . . . . A 80 PHE HD1 . 34452 1 935 . 1 1 80 80 PHE HD2 H 1 7.05 0.02 . 1 . . . . A 80 PHE HD2 . 34452 1 936 . 1 1 80 80 PHE HE1 H 1 6.90 0.02 . 1 . . . . A 80 PHE HE1 . 34452 1 937 . 1 1 80 80 PHE HE2 H 1 6.90 0.02 . 1 . . . . A 80 PHE HE2 . 34452 1 938 . 1 1 80 80 PHE HZ H 1 6.89 0.02 . 1 . . . . A 80 PHE HZ . 34452 1 939 . 1 1 80 80 PHE C C 13 174.69 0.05 . 1 . . . . A 80 PHE C . 34452 1 940 . 1 1 80 80 PHE CA C 13 56.86 0.05 . 1 . . . . A 80 PHE CA . 34452 1 941 . 1 1 80 80 PHE CB C 13 39.48 0.05 . 1 . . . . A 80 PHE CB . 34452 1 942 . 1 1 80 80 PHE CD1 C 13 131.80 0.05 . 1 . . . . A 80 PHE CD1 . 34452 1 943 . 1 1 80 80 PHE CD2 C 13 131.80 0.05 . 1 . . . . A 80 PHE CD2 . 34452 1 944 . 1 1 80 80 PHE CE1 C 13 130.13 0.05 . 1 . . . . A 80 PHE CE1 . 34452 1 945 . 1 1 80 80 PHE CE2 C 13 130.13 0.05 . 1 . . . . A 80 PHE CE2 . 34452 1 946 . 1 1 80 80 PHE CZ C 13 129.63 0.05 . 1 . . . . A 80 PHE CZ . 34452 1 947 . 1 1 80 80 PHE N N 15 126.82 0.05 . 1 . . . . A 80 PHE N . 34452 1 948 . 1 1 81 81 VAL H H 1 8.65 0.02 . 1 . . . . A 81 VAL H . 34452 1 949 . 1 1 81 81 VAL HA H 1 5.23 0.02 . 1 . . . . A 81 VAL HA . 34452 1 950 . 1 1 81 81 VAL HB H 1 1.87 0.02 . 1 . . . . A 81 VAL HB . 34452 1 951 . 1 1 81 81 VAL HG11 H 1 0.61 0.02 . 1 . . . . A 81 VAL HG11 . 34452 1 952 . 1 1 81 81 VAL HG12 H 1 0.61 0.02 . 1 . . . . A 81 VAL HG12 . 34452 1 953 . 1 1 81 81 VAL HG13 H 1 0.61 0.02 . 1 . . . . A 81 VAL HG13 . 34452 1 954 . 1 1 81 81 VAL HG21 H 1 0.56 0.02 . 1 . . . . A 81 VAL HG21 . 34452 1 955 . 1 1 81 81 VAL HG22 H 1 0.56 0.02 . 1 . . . . A 81 VAL HG22 . 34452 1 956 . 1 1 81 81 VAL HG23 H 1 0.56 0.02 . 1 . . . . A 81 VAL HG23 . 34452 1 957 . 1 1 81 81 VAL CA C 13 56.61 0.05 . 1 . . . . A 81 VAL CA . 34452 1 958 . 1 1 81 81 VAL CB C 13 32.48 0.05 . 1 . . . . A 81 VAL CB . 34452 1 959 . 1 1 81 81 VAL CG1 C 13 21.25 0.05 . 1 . . . . A 81 VAL CG1 . 34452 1 960 . 1 1 81 81 VAL CG2 C 13 18.96 0.05 . 1 . . . . A 81 VAL CG2 . 34452 1 961 . 1 1 81 81 VAL N N 15 113.08 0.05 . 1 . . . . A 81 VAL N . 34452 1 962 . 1 1 82 82 PRO HA H 1 4.35 0.02 . 1 . . . . A 82 PRO HA . 34452 1 963 . 1 1 82 82 PRO HB2 H 1 1.91 0.02 . 2 . . . . A 82 PRO HB2 . 34452 1 964 . 1 1 82 82 PRO HB3 H 1 1.88 0.02 . 2 . . . . A 82 PRO HB3 . 34452 1 965 . 1 1 82 82 PRO HG2 H 1 1.73 0.02 . 2 . . . . A 82 PRO HG2 . 34452 1 966 . 1 1 82 82 PRO HG3 H 1 1.62 0.02 . 2 . . . . A 82 PRO HG3 . 34452 1 967 . 1 1 82 82 PRO HD2 H 1 3.94 0.02 . 2 . . . . A 82 PRO HD2 . 34452 1 968 . 1 1 82 82 PRO HD3 H 1 3.11 0.02 . 2 . . . . A 82 PRO HD3 . 34452 1 969 . 1 1 82 82 PRO CA C 13 64.40 0.05 . 1 . . . . A 82 PRO CA . 34452 1 970 . 1 1 82 82 PRO CB C 13 32.92 0.05 . 1 . . . . A 82 PRO CB . 34452 1 971 . 1 1 82 82 PRO CG C 13 26.61 0.05 . 1 . . . . A 82 PRO CG . 34452 1 972 . 1 1 82 82 PRO CD C 13 49.66 0.05 . 1 . . . . A 82 PRO CD . 34452 1 973 . 1 1 83 83 SER H H 1 6.78 0.02 . 1 . . . . A 83 SER H . 34452 1 974 . 1 1 83 83 SER HA H 1 4.89 0.02 . 1 . . . . A 83 SER HA . 34452 1 975 . 1 1 83 83 SER HB2 H 1 4.17 0.02 . 1 . . . . A 83 SER HB2 . 34452 1 976 . 1 1 83 83 SER HB3 H 1 3.66 0.02 . 1 . . . . A 83 SER HB3 . 34452 1 977 . 1 1 83 83 SER CA C 13 55.50 0.05 . 1 . . . . A 83 SER CA . 34452 1 978 . 1 1 83 83 SER CB C 13 64.59 0.05 . 1 . . . . A 83 SER CB . 34452 1 979 . 1 1 83 83 SER N N 15 111.00 0.05 . 1 . . . . A 83 SER N . 34452 1 980 . 1 1 84 84 PRO HA H 1 4.09 0.02 . 1 . . . . A 84 PRO HA . 34452 1 981 . 1 1 84 84 PRO HB2 H 1 2.25 0.02 . 2 . . . . A 84 PRO HB2 . 34452 1 982 . 1 1 84 84 PRO HB3 H 1 1.83 0.02 . 2 . . . . A 84 PRO HB3 . 34452 1 983 . 1 1 84 84 PRO HG2 H 1 2.02 0.02 . 2 . . . . A 84 PRO HG2 . 34452 1 984 . 1 1 84 84 PRO HG3 H 1 1.96 0.02 . 2 . . . . A 84 PRO HG3 . 34452 1 985 . 1 1 84 84 PRO HD2 H 1 3.88 0.02 . 2 . . . . A 84 PRO HD2 . 34452 1 986 . 1 1 84 84 PRO HD3 H 1 3.81 0.02 . 2 . . . . A 84 PRO HD3 . 34452 1 987 . 1 1 84 84 PRO CA C 13 64.49 0.05 . 1 . . . . A 84 PRO CA . 34452 1 988 . 1 1 84 84 PRO CB C 13 31.77 0.05 . 1 . . . . A 84 PRO CB . 34452 1 989 . 1 1 84 84 PRO CG C 13 27.02 0.05 . 1 . . . . A 84 PRO CG . 34452 1 990 . 1 1 84 84 PRO CD C 13 50.73 0.05 . 1 . . . . A 84 PRO CD . 34452 1 991 . 1 1 85 85 ARG HA H 1 4.04 0.02 . 1 . . . . A 85 ARG HA . 34452 1 992 . 1 1 85 85 ARG HB2 H 1 1.80 0.02 . 2 . . . . A 85 ARG HB2 . 34452 1 993 . 1 1 85 85 ARG HB3 H 1 1.59 0.02 . 2 . . . . A 85 ARG HB3 . 34452 1 994 . 1 1 85 85 ARG HG2 H 1 1.43 0.02 . 1 . . . . A 85 ARG HG2 . 34452 1 995 . 1 1 85 85 ARG HG3 H 1 1.43 0.02 . 1 . . . . A 85 ARG HG3 . 34452 1 996 . 1 1 85 85 ARG HD2 H 1 3.14 0.02 . 2 . . . . A 85 ARG HD2 . 34452 1 997 . 1 1 85 85 ARG HD3 H 1 2.99 0.02 . 2 . . . . A 85 ARG HD3 . 34452 1 998 . 1 1 85 85 ARG C C 13 178.94 0.05 . 1 . . . . A 85 ARG C . 34452 1 999 . 1 1 85 85 ARG CA C 13 58.74 0.05 . 1 . . . . A 85 ARG CA . 34452 1 1000 . 1 1 85 85 ARG CB C 13 30.14 0.05 . 1 . . . . A 85 ARG CB . 34452 1 1001 . 1 1 85 85 ARG CG C 13 27.19 0.05 . 1 . . . . A 85 ARG CG . 34452 1 1002 . 1 1 85 85 ARG CD C 13 42.78 0.05 . 1 . . . . A 85 ARG CD . 34452 1 1003 . 1 1 86 86 VAL H H 1 7.35 0.02 . 1 . . . . A 86 VAL H . 34452 1 1004 . 1 1 86 86 VAL HA H 1 3.66 0.02 . 1 . . . . A 86 VAL HA . 34452 1 1005 . 1 1 86 86 VAL HB H 1 1.55 0.02 . 1 . . . . A 86 VAL HB . 34452 1 1006 . 1 1 86 86 VAL HG11 H 1 0.74 0.02 . 1 . . . . A 86 VAL HG11 . 34452 1 1007 . 1 1 86 86 VAL HG12 H 1 0.74 0.02 . 1 . . . . A 86 VAL HG12 . 34452 1 1008 . 1 1 86 86 VAL HG13 H 1 0.74 0.02 . 1 . . . . A 86 VAL HG13 . 34452 1 1009 . 1 1 86 86 VAL HG21 H 1 0.75 0.02 . 1 . . . . A 86 VAL HG21 . 34452 1 1010 . 1 1 86 86 VAL HG22 H 1 0.75 0.02 . 1 . . . . A 86 VAL HG22 . 34452 1 1011 . 1 1 86 86 VAL HG23 H 1 0.75 0.02 . 1 . . . . A 86 VAL HG23 . 34452 1 1012 . 1 1 86 86 VAL C C 13 177.13 0.05 . 1 . . . . A 86 VAL C . 34452 1 1013 . 1 1 86 86 VAL CA C 13 65.17 0.05 . 1 . . . . A 86 VAL CA . 34452 1 1014 . 1 1 86 86 VAL CB C 13 31.67 0.05 . 1 . . . . A 86 VAL CB . 34452 1 1015 . 1 1 86 86 VAL CG1 C 13 23.12 0.05 . 1 . . . . A 86 VAL CG1 . 34452 1 1016 . 1 1 86 86 VAL CG2 C 13 23.05 0.05 . 1 . . . . A 86 VAL CG2 . 34452 1 1017 . 1 1 86 86 VAL N N 15 119.10 0.05 . 1 . . . . A 86 VAL N . 34452 1 1018 . 1 1 87 87 ALA H H 1 8.21 0.02 . 1 . . . . A 87 ALA H . 34452 1 1019 . 1 1 87 87 ALA HA H 1 3.76 0.02 . 1 . . . . A 87 ALA HA . 34452 1 1020 . 1 1 87 87 ALA HB1 H 1 1.24 0.02 . 1 . . . . A 87 ALA HB1 . 34452 1 1021 . 1 1 87 87 ALA HB2 H 1 1.24 0.02 . 1 . . . . A 87 ALA HB2 . 34452 1 1022 . 1 1 87 87 ALA HB3 H 1 1.24 0.02 . 1 . . . . A 87 ALA HB3 . 34452 1 1023 . 1 1 87 87 ALA C C 13 178.69 0.05 . 1 . . . . A 87 ALA C . 34452 1 1024 . 1 1 87 87 ALA CA C 13 55.58 0.05 . 1 . . . . A 87 ALA CA . 34452 1 1025 . 1 1 87 87 ALA CB C 13 17.28 0.05 . 1 . . . . A 87 ALA CB . 34452 1 1026 . 1 1 87 87 ALA N N 15 123.36 0.05 . 1 . . . . A 87 ALA N . 34452 1 1027 . 1 1 88 88 GLU H H 1 8.01 0.02 . 1 . . . . A 88 GLU H . 34452 1 1028 . 1 1 88 88 GLU HA H 1 3.83 0.02 . 1 . . . . A 88 GLU HA . 34452 1 1029 . 1 1 88 88 GLU HB2 H 1 1.92 0.02 . 1 . . . . A 88 GLU HB2 . 34452 1 1030 . 1 1 88 88 GLU HB3 H 1 2.13 0.02 . 1 . . . . A 88 GLU HB3 . 34452 1 1031 . 1 1 88 88 GLU HG2 H 1 2.21 0.02 . 2 . . . . A 88 GLU HG2 . 34452 1 1032 . 1 1 88 88 GLU HG3 H 1 2.19 0.02 . 2 . . . . A 88 GLU HG3 . 34452 1 1033 . 1 1 88 88 GLU C C 13 178.92 0.05 . 1 . . . . A 88 GLU C . 34452 1 1034 . 1 1 88 88 GLU CA C 13 59.08 0.05 . 1 . . . . A 88 GLU CA . 34452 1 1035 . 1 1 88 88 GLU CB C 13 29.19 0.05 . 1 . . . . A 88 GLU CB . 34452 1 1036 . 1 1 88 88 GLU CG C 13 35.62 0.05 . 1 . . . . A 88 GLU CG . 34452 1 1037 . 1 1 88 88 GLU N N 15 118.12 0.05 . 1 . . . . A 88 GLU N . 34452 1 1038 . 1 1 89 89 MET H H 1 7.39 0.02 . 1 . . . . A 89 MET H . 34452 1 1039 . 1 1 89 89 MET HA H 1 3.86 0.02 . 1 . . . . A 89 MET HA . 34452 1 1040 . 1 1 89 89 MET HB2 H 1 2.00 0.02 . 1 . . . . A 89 MET HB2 . 34452 1 1041 . 1 1 89 89 MET HB3 H 1 1.87 0.02 . 1 . . . . A 89 MET HB3 . 34452 1 1042 . 1 1 89 89 MET HG2 H 1 2.59 0.02 . 2 . . . . A 89 MET HG2 . 34452 1 1043 . 1 1 89 89 MET HG3 H 1 2.23 0.02 . 2 . . . . A 89 MET HG3 . 34452 1 1044 . 1 1 89 89 MET HE1 H 1 1.87 0.02 . 1 . . . . A 89 MET HE1 . 34452 1 1045 . 1 1 89 89 MET HE2 H 1 1.87 0.02 . 1 . . . . A 89 MET HE2 . 34452 1 1046 . 1 1 89 89 MET HE3 H 1 1.87 0.02 . 1 . . . . A 89 MET HE3 . 34452 1 1047 . 1 1 89 89 MET C C 13 178.31 0.05 . 1 . . . . A 89 MET C . 34452 1 1048 . 1 1 89 89 MET CA C 13 58.77 0.05 . 1 . . . . A 89 MET CA . 34452 1 1049 . 1 1 89 89 MET CB C 13 33.50 0.05 . 1 . . . . A 89 MET CB . 34452 1 1050 . 1 1 89 89 MET CG C 13 31.52 0.05 . 1 . . . . A 89 MET CG . 34452 1 1051 . 1 1 89 89 MET CE C 13 16.85 0.05 . 1 . . . . A 89 MET CE . 34452 1 1052 . 1 1 89 89 MET N N 15 118.70 0.05 . 1 . . . . A 89 MET N . 34452 1 1053 . 1 1 90 90 ALA H H 1 8.29 0.02 . 1 . . . . A 90 ALA H . 34452 1 1054 . 1 1 90 90 ALA HA H 1 3.80 0.02 . 1 . . . . A 90 ALA HA . 34452 1 1055 . 1 1 90 90 ALA HB1 H 1 1.31 0.02 . 1 . . . . A 90 ALA HB1 . 34452 1 1056 . 1 1 90 90 ALA HB2 H 1 1.31 0.02 . 1 . . . . A 90 ALA HB2 . 34452 1 1057 . 1 1 90 90 ALA HB3 H 1 1.31 0.02 . 1 . . . . A 90 ALA HB3 . 34452 1 1058 . 1 1 90 90 ALA C C 13 179.27 0.05 . 1 . . . . A 90 ALA C . 34452 1 1059 . 1 1 90 90 ALA CA C 13 55.30 0.05 . 1 . . . . A 90 ALA CA . 34452 1 1060 . 1 1 90 90 ALA CB C 13 18.28 0.05 . 1 . . . . A 90 ALA CB . 34452 1 1061 . 1 1 90 90 ALA N N 15 120.88 0.05 . 1 . . . . A 90 ALA N . 34452 1 1062 . 1 1 91 91 ARG H H 1 8.34 0.02 . 1 . . . . A 91 ARG H . 34452 1 1063 . 1 1 91 91 ARG HA H 1 4.06 0.02 . 1 . . . . A 91 ARG HA . 34452 1 1064 . 1 1 91 91 ARG HB2 H 1 1.76 0.02 . 2 . . . . A 91 ARG HB2 . 34452 1 1065 . 1 1 91 91 ARG HB3 H 1 1.72 0.02 . 2 . . . . A 91 ARG HB3 . 34452 1 1066 . 1 1 91 91 ARG HG2 H 1 1.75 0.02 . 1 . . . . A 91 ARG HG2 . 34452 1 1067 . 1 1 91 91 ARG HG3 H 1 1.75 0.02 . 1 . . . . A 91 ARG HG3 . 34452 1 1068 . 1 1 91 91 ARG HD2 H 1 3.05 0.02 . 1 . . . . A 91 ARG HD2 . 34452 1 1069 . 1 1 91 91 ARG HD3 H 1 3.05 0.02 . 1 . . . . A 91 ARG HD3 . 34452 1 1070 . 1 1 91 91 ARG C C 13 181.21 0.05 . 1 . . . . A 91 ARG C . 34452 1 1071 . 1 1 91 91 ARG CA C 13 60.07 0.05 . 1 . . . . A 91 ARG CA . 34452 1 1072 . 1 1 91 91 ARG CB C 13 29.12 0.05 . 1 . . . . A 91 ARG CB . 34452 1 1073 . 1 1 91 91 ARG CG C 13 30.01 0.05 . 1 . . . . A 91 ARG CG . 34452 1 1074 . 1 1 91 91 ARG CD C 13 43.05 0.05 . 1 . . . . A 91 ARG CD . 34452 1 1075 . 1 1 91 91 ARG N N 15 119.07 0.05 . 1 . . . . A 91 ARG N . 34452 1 1076 . 1 1 92 92 GLU H H 1 8.14 0.02 . 1 . . . . A 92 GLU H . 34452 1 1077 . 1 1 92 92 GLU HA H 1 3.88 0.02 . 1 . . . . A 92 GLU HA . 34452 1 1078 . 1 1 92 92 GLU HB2 H 1 1.98 0.02 . 1 . . . . A 92 GLU HB2 . 34452 1 1079 . 1 1 92 92 GLU HB3 H 1 1.98 0.02 . 1 . . . . A 92 GLU HB3 . 34452 1 1080 . 1 1 92 92 GLU HG2 H 1 2.21 0.02 . 2 . . . . A 92 GLU HG2 . 34452 1 1081 . 1 1 92 92 GLU HG3 H 1 2.10 0.02 . 2 . . . . A 92 GLU HG3 . 34452 1 1082 . 1 1 92 92 GLU C C 13 178.26 0.05 . 1 . . . . A 92 GLU C . 34452 1 1083 . 1 1 92 92 GLU CA C 13 59.17 0.05 . 1 . . . . A 92 GLU CA . 34452 1 1084 . 1 1 92 92 GLU CB C 13 28.98 0.05 . 1 . . . . A 92 GLU CB . 34452 1 1085 . 1 1 92 92 GLU CG C 13 36.16 0.05 . 1 . . . . A 92 GLU CG . 34452 1 1086 . 1 1 92 92 GLU N N 15 122.05 0.05 . 1 . . . . A 92 GLU N . 34452 1 1087 . 1 1 93 93 LEU H H 1 7.24 0.02 . 1 . . . . A 93 LEU H . 34452 1 1088 . 1 1 93 93 LEU HA H 1 4.04 0.02 . 1 . . . . A 93 LEU HA . 34452 1 1089 . 1 1 93 93 LEU HB2 H 1 1.69 0.02 . 1 . . . . A 93 LEU HB2 . 34452 1 1090 . 1 1 93 93 LEU HB3 H 1 1.25 0.02 . 1 . . . . A 93 LEU HB3 . 34452 1 1091 . 1 1 93 93 LEU HG H 1 1.43 0.02 . 1 . . . . A 93 LEU HG . 34452 1 1092 . 1 1 93 93 LEU HD11 H 1 -0.02 0.02 . 1 . . . . A 93 LEU HD11 . 34452 1 1093 . 1 1 93 93 LEU HD12 H 1 -0.02 0.02 . 1 . . . . A 93 LEU HD12 . 34452 1 1094 . 1 1 93 93 LEU HD13 H 1 -0.02 0.02 . 1 . . . . A 93 LEU HD13 . 34452 1 1095 . 1 1 93 93 LEU HD21 H 1 -0.14 0.02 . 1 . . . . A 93 LEU HD21 . 34452 1 1096 . 1 1 93 93 LEU HD22 H 1 -0.14 0.02 . 1 . . . . A 93 LEU HD22 . 34452 1 1097 . 1 1 93 93 LEU HD23 H 1 -0.14 0.02 . 1 . . . . A 93 LEU HD23 . 34452 1 1098 . 1 1 93 93 LEU C C 13 177.83 0.05 . 1 . . . . A 93 LEU C . 34452 1 1099 . 1 1 93 93 LEU CA C 13 54.97 0.05 . 1 . . . . A 93 LEU CA . 34452 1 1100 . 1 1 93 93 LEU CB C 13 42.53 0.05 . 1 . . . . A 93 LEU CB . 34452 1 1101 . 1 1 93 93 LEU CG C 13 25.94 0.05 . 1 . . . . A 93 LEU CG . 34452 1 1102 . 1 1 93 93 LEU CD1 C 13 24.08 0.05 . 1 . . . . A 93 LEU CD1 . 34452 1 1103 . 1 1 93 93 LEU CD2 C 13 20.75 0.05 . 1 . . . . A 93 LEU CD2 . 34452 1 1104 . 1 1 93 93 LEU N N 15 116.56 0.05 . 1 . . . . A 93 LEU N . 34452 1 1105 . 1 1 94 94 GLY H H 1 7.86 0.02 . 1 . . . . A 94 GLY H . 34452 1 1106 . 1 1 94 94 GLY HA2 H 1 3.62 0.02 . 1 . . . . A 94 GLY HA2 . 34452 1 1107 . 1 1 94 94 GLY HA3 H 1 4.48 0.02 . 1 . . . . A 94 GLY HA3 . 34452 1 1108 . 1 1 94 94 GLY C C 13 174.88 0.05 . 1 . . . . A 94 GLY C . 34452 1 1109 . 1 1 94 94 GLY CA C 13 44.74 0.05 . 1 . . . . A 94 GLY CA . 34452 1 1110 . 1 1 94 94 GLY N N 15 107.18 0.05 . 1 . . . . A 94 GLY N . 34452 1 1111 . 1 1 95 95 ALA H H 1 7.97 0.02 . 1 . . . . A 95 ALA H . 34452 1 1112 . 1 1 95 95 ALA HA H 1 3.87 0.02 . 1 . . . . A 95 ALA HA . 34452 1 1113 . 1 1 95 95 ALA HB1 H 1 1.17 0.02 . 1 . . . . A 95 ALA HB1 . 34452 1 1114 . 1 1 95 95 ALA HB2 H 1 1.17 0.02 . 1 . . . . A 95 ALA HB2 . 34452 1 1115 . 1 1 95 95 ALA HB3 H 1 1.17 0.02 . 1 . . . . A 95 ALA HB3 . 34452 1 1116 . 1 1 95 95 ALA C C 13 177.85 0.05 . 1 . . . . A 95 ALA C . 34452 1 1117 . 1 1 95 95 ALA CA C 13 53.09 0.05 . 1 . . . . A 95 ALA CA . 34452 1 1118 . 1 1 95 95 ALA CB C 13 18.44 0.05 . 1 . . . . A 95 ALA CB . 34452 1 1119 . 1 1 95 95 ALA N N 15 124.43 0.05 . 1 . . . . A 95 ALA N . 34452 1 1120 . 1 1 96 96 GLN H H 1 7.61 0.02 . 1 . . . . A 96 GLN H . 34452 1 1121 . 1 1 96 96 GLN HA H 1 4.05 0.02 . 1 . . . . A 96 GLN HA . 34452 1 1122 . 1 1 96 96 GLN HB2 H 1 1.49 0.02 . 1 . . . . A 96 GLN HB2 . 34452 1 1123 . 1 1 96 96 GLN HB3 H 1 2.11 0.02 . 1 . . . . A 96 GLN HB3 . 34452 1 1124 . 1 1 96 96 GLN HG2 H 1 2.12 0.02 . 2 . . . . A 96 GLN HG2 . 34452 1 1125 . 1 1 96 96 GLN HG3 H 1 2.09 0.02 . 2 . . . . A 96 GLN HG3 . 34452 1 1126 . 1 1 96 96 GLN HE21 H 1 7.34 0.02 . 1 . . . . A 96 GLN HE21 . 34452 1 1127 . 1 1 96 96 GLN HE22 H 1 6.63 0.02 . 1 . . . . A 96 GLN HE22 . 34452 1 1128 . 1 1 96 96 GLN C C 13 175.64 0.05 . 1 . . . . A 96 GLN C . 34452 1 1129 . 1 1 96 96 GLN CA C 13 56.78 0.05 . 1 . . . . A 96 GLN CA . 34452 1 1130 . 1 1 96 96 GLN CB C 13 31.32 0.05 . 1 . . . . A 96 GLN CB . 34452 1 1131 . 1 1 96 96 GLN CG C 13 33.72 0.05 . 1 . . . . A 96 GLN CG . 34452 1 1132 . 1 1 96 96 GLN N N 15 119.26 0.05 . 1 . . . . A 96 GLN N . 34452 1 1133 . 1 1 96 96 GLN NE2 N 15 113.49 0.05 . 1 . . . . A 96 GLN NE2 . 34452 1 1134 . 1 1 97 97 ARG H H 1 9.53 0.02 . 1 . . . . A 97 ARG H . 34452 1 1135 . 1 1 97 97 ARG HA H 1 4.28 0.02 . 1 . . . . A 97 ARG HA . 34452 1 1136 . 1 1 97 97 ARG HB2 H 1 1.03 0.02 . 1 . . . . A 97 ARG HB2 . 34452 1 1137 . 1 1 97 97 ARG HB3 H 1 1.42 0.02 . 1 . . . . A 97 ARG HB3 . 34452 1 1138 . 1 1 97 97 ARG HG2 H 1 1.21 0.02 . 1 . . . . A 97 ARG HG2 . 34452 1 1139 . 1 1 97 97 ARG HG3 H 1 1.21 0.02 . 1 . . . . A 97 ARG HG3 . 34452 1 1140 . 1 1 97 97 ARG HD2 H 1 2.92 0.02 . 1 . . . . A 97 ARG HD2 . 34452 1 1141 . 1 1 97 97 ARG HD3 H 1 2.92 0.02 . 1 . . . . A 97 ARG HD3 . 34452 1 1142 . 1 1 97 97 ARG C C 13 172.22 0.05 . 1 . . . . A 97 ARG C . 34452 1 1143 . 1 1 97 97 ARG CA C 13 54.19 0.05 . 1 . . . . A 97 ARG CA . 34452 1 1144 . 1 1 97 97 ARG CB C 13 30.73 0.05 . 1 . . . . A 97 ARG CB . 34452 1 1145 . 1 1 97 97 ARG CG C 13 27.14 0.05 . 1 . . . . A 97 ARG CG . 34452 1 1146 . 1 1 97 97 ARG CD C 13 43.37 0.05 . 1 . . . . A 97 ARG CD . 34452 1 1147 . 1 1 97 97 ARG N N 15 127.15 0.05 . 1 . . . . A 97 ARG N . 34452 1 1148 . 1 1 98 98 VAL H H 1 8.11 0.02 . 1 . . . . A 98 VAL H . 34452 1 1149 . 1 1 98 98 VAL HA H 1 4.18 0.02 . 1 . . . . A 98 VAL HA . 34452 1 1150 . 1 1 98 98 VAL HB H 1 1.69 0.02 . 1 . . . . A 98 VAL HB . 34452 1 1151 . 1 1 98 98 VAL HG11 H 1 0.75 0.02 . 1 . . . . A 98 VAL HG11 . 34452 1 1152 . 1 1 98 98 VAL HG12 H 1 0.75 0.02 . 1 . . . . A 98 VAL HG12 . 34452 1 1153 . 1 1 98 98 VAL HG13 H 1 0.75 0.02 . 1 . . . . A 98 VAL HG13 . 34452 1 1154 . 1 1 98 98 VAL HG21 H 1 0.61 0.02 . 1 . . . . A 98 VAL HG21 . 34452 1 1155 . 1 1 98 98 VAL HG22 H 1 0.61 0.02 . 1 . . . . A 98 VAL HG22 . 34452 1 1156 . 1 1 98 98 VAL HG23 H 1 0.61 0.02 . 1 . . . . A 98 VAL HG23 . 34452 1 1157 . 1 1 98 98 VAL C C 13 175.82 0.05 . 1 . . . . A 98 VAL C . 34452 1 1158 . 1 1 98 98 VAL CA C 13 62.12 0.05 . 1 . . . . A 98 VAL CA . 34452 1 1159 . 1 1 98 98 VAL CB C 13 32.38 0.05 . 1 . . . . A 98 VAL CB . 34452 1 1160 . 1 1 98 98 VAL CG1 C 13 22.16 0.05 . 1 . . . . A 98 VAL CG1 . 34452 1 1161 . 1 1 98 98 VAL CG2 C 13 23.82 0.05 . 1 . . . . A 98 VAL CG2 . 34452 1 1162 . 1 1 98 98 VAL N N 15 123.76 0.05 . 1 . . . . A 98 VAL N . 34452 1 1163 . 1 1 99 99 ILE H H 1 9.04 0.02 . 1 . . . . A 99 ILE H . 34452 1 1164 . 1 1 99 99 ILE HA H 1 3.94 0.02 . 1 . . . . A 99 ILE HA . 34452 1 1165 . 1 1 99 99 ILE HB H 1 1.12 0.02 . 1 . . . . A 99 ILE HB . 34452 1 1166 . 1 1 99 99 ILE HG12 H 1 0.72 0.02 . 2 . . . . A 99 ILE HG12 . 34452 1 1167 . 1 1 99 99 ILE HG13 H 1 0.61 0.02 . 2 . . . . A 99 ILE HG13 . 34452 1 1168 . 1 1 99 99 ILE HG21 H 1 0.48 0.02 . 1 . . . . A 99 ILE HG21 . 34452 1 1169 . 1 1 99 99 ILE HG22 H 1 0.48 0.02 . 1 . . . . A 99 ILE HG22 . 34452 1 1170 . 1 1 99 99 ILE HG23 H 1 0.48 0.02 . 1 . . . . A 99 ILE HG23 . 34452 1 1171 . 1 1 99 99 ILE HD11 H 1 0.04 0.02 . 1 . . . . A 99 ILE HD11 . 34452 1 1172 . 1 1 99 99 ILE HD12 H 1 0.04 0.02 . 1 . . . . A 99 ILE HD12 . 34452 1 1173 . 1 1 99 99 ILE HD13 H 1 0.04 0.02 . 1 . . . . A 99 ILE HD13 . 34452 1 1174 . 1 1 99 99 ILE C C 13 173.94 0.05 . 1 . . . . A 99 ILE C . 34452 1 1175 . 1 1 99 99 ILE CA C 13 60.06 0.05 . 1 . . . . A 99 ILE CA . 34452 1 1176 . 1 1 99 99 ILE CB C 13 39.08 0.05 . 1 . . . . A 99 ILE CB . 34452 1 1177 . 1 1 99 99 ILE CG1 C 13 27.23 0.05 . 1 . . . . A 99 ILE CG1 . 34452 1 1178 . 1 1 99 99 ILE CG2 C 13 18.01 0.05 . 1 . . . . A 99 ILE CG2 . 34452 1 1179 . 1 1 99 99 ILE CD1 C 13 13.34 0.05 . 1 . . . . A 99 ILE CD1 . 34452 1 1180 . 1 1 99 99 ILE N N 15 131.35 0.05 . 1 . . . . A 99 ILE N . 34452 1 1181 . 1 1 100 100 ASP H H 1 8.33 0.02 . 1 . . . . A 100 ASP H . 34452 1 1182 . 1 1 100 100 ASP HA H 1 4.21 0.02 . 1 . . . . A 100 ASP HA . 34452 1 1183 . 1 1 100 100 ASP HB2 H 1 2.05 0.02 . 1 . . . . A 100 ASP HB2 . 34452 1 1184 . 1 1 100 100 ASP HB3 H 1 2.52 0.02 . 1 . . . . A 100 ASP HB3 . 34452 1 1185 . 1 1 100 100 ASP C C 13 177.30 0.05 . 1 . . . . A 100 ASP C . 34452 1 1186 . 1 1 100 100 ASP CA C 13 53.07 0.05 . 1 . . . . A 100 ASP CA . 34452 1 1187 . 1 1 100 100 ASP CB C 13 40.31 0.05 . 1 . . . . A 100 ASP CB . 34452 1 1188 . 1 1 100 100 ASP N N 15 126.74 0.05 . 1 . . . . A 100 ASP N . 34452 1 1189 . 1 1 101 101 CYS H H 1 8.62 0.02 . 1 . . . . A 101 CYS H . 34452 1 1190 . 1 1 101 101 CYS HA H 1 4.07 0.02 . 1 . . . . A 101 CYS HA . 34452 1 1191 . 1 1 101 101 CYS HB2 H 1 2.77 0.02 . 1 . . . . A 101 CYS HB2 . 34452 1 1192 . 1 1 101 101 CYS HB3 H 1 2.91 0.02 . 1 . . . . A 101 CYS HB3 . 34452 1 1193 . 1 1 101 101 CYS C C 13 175.56 0.05 . 1 . . . . A 101 CYS C . 34452 1 1194 . 1 1 101 101 CYS CA C 13 60.77 0.05 . 1 . . . . A 101 CYS CA . 34452 1 1195 . 1 1 101 101 CYS CB C 13 28.77 0.05 . 1 . . . . A 101 CYS CB . 34452 1 1196 . 1 1 101 101 CYS N N 15 123.88 0.05 . 1 . . . . A 101 CYS N . 34452 1 1197 . 1 1 102 102 ARG H H 1 8.70 0.02 . 1 . . . . A 102 ARG H . 34452 1 1198 . 1 1 102 102 ARG HA H 1 3.93 0.02 . 1 . . . . A 102 ARG HA . 34452 1 1199 . 1 1 102 102 ARG HB2 H 1 2.07 0.02 . 2 . . . . A 102 ARG HB2 . 34452 1 1200 . 1 1 102 102 ARG HB3 H 1 1.95 0.02 . 2 . . . . A 102 ARG HB3 . 34452 1 1201 . 1 1 102 102 ARG HG2 H 1 1.53 0.02 . 2 . . . . A 102 ARG HG2 . 34452 1 1202 . 1 1 102 102 ARG HG3 H 1 1.43 0.02 . 2 . . . . A 102 ARG HG3 . 34452 1 1203 . 1 1 102 102 ARG HD2 H 1 3.05 0.02 . 1 . . . . A 102 ARG HD2 . 34452 1 1204 . 1 1 102 102 ARG HD3 H 1 3.05 0.02 . 1 . . . . A 102 ARG HD3 . 34452 1 1205 . 1 1 102 102 ARG CA C 13 58.68 0.05 . 1 . . . . A 102 ARG CA . 34452 1 1206 . 1 1 102 102 ARG CB C 13 28.55 0.05 . 1 . . . . A 102 ARG CB . 34452 1 1207 . 1 1 102 102 ARG CG C 13 26.59 0.05 . 1 . . . . A 102 ARG CG . 34452 1 1208 . 1 1 102 102 ARG CD C 13 43.67 0.05 . 1 . . . . A 102 ARG CD . 34452 1 1209 . 1 1 102 102 ARG N N 15 124.26 0.05 . 1 . . . . A 102 ARG N . 34452 1 1210 . 1 1 103 103 GLY HA2 H 1 3.88 0.02 . 2 . . . . A 103 GLY HA2 . 34452 1 1211 . 1 1 103 103 GLY HA3 H 1 3.68 0.02 . 2 . . . . A 103 GLY HA3 . 34452 1 1212 . 1 1 103 103 GLY C C 13 173.33 0.05 . 1 . . . . A 103 GLY C . 34452 1 1213 . 1 1 103 103 GLY CA C 13 44.80 0.05 . 1 . . . . A 103 GLY CA . 34452 1 1214 . 1 1 104 104 ALA H H 1 7.36 0.02 . 1 . . . . A 104 ALA H . 34452 1 1215 . 1 1 104 104 ALA HA H 1 4.31 0.02 . 1 . . . . A 104 ALA HA . 34452 1 1216 . 1 1 104 104 ALA HB1 H 1 1.16 0.02 . 1 . . . . A 104 ALA HB1 . 34452 1 1217 . 1 1 104 104 ALA HB2 H 1 1.16 0.02 . 1 . . . . A 104 ALA HB2 . 34452 1 1218 . 1 1 104 104 ALA HB3 H 1 1.16 0.02 . 1 . . . . A 104 ALA HB3 . 34452 1 1219 . 1 1 104 104 ALA C C 13 177.50 0.05 . 1 . . . . A 104 ALA C . 34452 1 1220 . 1 1 104 104 ALA CA C 13 51.33 0.05 . 1 . . . . A 104 ALA CA . 34452 1 1221 . 1 1 104 104 ALA CB C 13 19.70 0.05 . 1 . . . . A 104 ALA CB . 34452 1 1222 . 1 1 104 104 ALA N N 15 122.54 0.05 . 1 . . . . A 104 ALA N . 34452 1 1223 . 1 1 105 105 SER H H 1 8.52 0.02 . 1 . . . . A 105 SER H . 34452 1 1224 . 1 1 105 105 SER HA H 1 4.29 0.02 . 1 . . . . A 105 SER HA . 34452 1 1225 . 1 1 105 105 SER HB2 H 1 3.99 0.02 . 2 . . . . A 105 SER HB2 . 34452 1 1226 . 1 1 105 105 SER HB3 H 1 3.88 0.02 . 2 . . . . A 105 SER HB3 . 34452 1 1227 . 1 1 105 105 SER C C 13 173.50 0.05 . 1 . . . . A 105 SER C . 34452 1 1228 . 1 1 105 105 SER CA C 13 57.10 0.05 . 1 . . . . A 105 SER CA . 34452 1 1229 . 1 1 105 105 SER CB C 13 64.41 0.05 . 1 . . . . A 105 SER CB . 34452 1 1230 . 1 1 105 105 SER N N 15 119.75 0.05 . 1 . . . . A 105 SER N . 34452 1 1231 . 1 1 106 106 ALA H H 1 9.01 0.02 . 1 . . . . A 106 ALA H . 34452 1 1232 . 1 1 106 106 ALA HA H 1 3.98 0.02 . 1 . . . . A 106 ALA HA . 34452 1 1233 . 1 1 106 106 ALA HB1 H 1 1.30 0.02 . 1 . . . . A 106 ALA HB1 . 34452 1 1234 . 1 1 106 106 ALA HB2 H 1 1.30 0.02 . 1 . . . . A 106 ALA HB2 . 34452 1 1235 . 1 1 106 106 ALA HB3 H 1 1.30 0.02 . 1 . . . . A 106 ALA HB3 . 34452 1 1236 . 1 1 106 106 ALA CA C 13 56.69 0.05 . 1 . . . . A 106 ALA CA . 34452 1 1237 . 1 1 106 106 ALA CB C 13 15.76 0.05 . 1 . . . . A 106 ALA CB . 34452 1 1238 . 1 1 106 106 ALA N N 15 123.49 0.05 . 1 . . . . A 106 ALA N . 34452 1 1239 . 1 1 107 107 PRO HA H 1 4.08 0.02 . 1 . . . . A 107 PRO HA . 34452 1 1240 . 1 1 107 107 PRO HB2 H 1 2.14 0.02 . 2 . . . . A 107 PRO HB2 . 34452 1 1241 . 1 1 107 107 PRO HB3 H 1 1.56 0.02 . 2 . . . . A 107 PRO HB3 . 34452 1 1242 . 1 1 107 107 PRO HG2 H 1 2.06 0.02 . 2 . . . . A 107 PRO HG2 . 34452 1 1243 . 1 1 107 107 PRO HG3 H 1 1.96 0.02 . 2 . . . . A 107 PRO HG3 . 34452 1 1244 . 1 1 107 107 PRO HD2 H 1 3.59 0.02 . 1 . . . . A 107 PRO HD2 . 34452 1 1245 . 1 1 107 107 PRO HD3 H 1 3.59 0.02 . 1 . . . . A 107 PRO HD3 . 34452 1 1246 . 1 1 107 107 PRO CA C 13 65.58 0.05 . 1 . . . . A 107 PRO CA . 34452 1 1247 . 1 1 107 107 PRO CB C 13 30.68 0.05 . 1 . . . . A 107 PRO CB . 34452 1 1248 . 1 1 107 107 PRO CG C 13 28.17 0.05 . 1 . . . . A 107 PRO CG . 34452 1 1249 . 1 1 107 107 PRO CD C 13 49.95 0.05 . 1 . . . . A 107 PRO CD . 34452 1 1250 . 1 1 108 108 ALA H H 1 7.36 0.02 . 1 . . . . A 108 ALA H . 34452 1 1251 . 1 1 108 108 ALA HA H 1 4.01 0.02 . 1 . . . . A 108 ALA HA . 34452 1 1252 . 1 1 108 108 ALA HB1 H 1 1.33 0.02 . 1 . . . . A 108 ALA HB1 . 34452 1 1253 . 1 1 108 108 ALA HB2 H 1 1.33 0.02 . 1 . . . . A 108 ALA HB2 . 34452 1 1254 . 1 1 108 108 ALA HB3 H 1 1.33 0.02 . 1 . . . . A 108 ALA HB3 . 34452 1 1255 . 1 1 108 108 ALA C C 13 180.87 0.05 . 1 . . . . A 108 ALA C . 34452 1 1256 . 1 1 108 108 ALA CA C 13 54.75 0.05 . 1 . . . . A 108 ALA CA . 34452 1 1257 . 1 1 108 108 ALA CB C 13 17.73 0.05 . 1 . . . . A 108 ALA CB . 34452 1 1258 . 1 1 108 108 ALA N N 15 121.03 0.05 . 1 . . . . A 108 ALA N . 34452 1 1259 . 1 1 109 109 LEU H H 1 7.79 0.02 . 1 . . . . A 109 LEU H . 34452 1 1260 . 1 1 109 109 LEU HA H 1 3.97 0.02 . 1 . . . . A 109 LEU HA . 34452 1 1261 . 1 1 109 109 LEU HB2 H 1 1.67 0.02 . 1 . . . . A 109 LEU HB2 . 34452 1 1262 . 1 1 109 109 LEU HB3 H 1 1.09 0.02 . 1 . . . . A 109 LEU HB3 . 34452 1 1263 . 1 1 109 109 LEU HG H 1 1.34 0.02 . 1 . . . . A 109 LEU HG . 34452 1 1264 . 1 1 109 109 LEU HD11 H 1 0.54 0.02 . 1 . . . . A 109 LEU HD11 . 34452 1 1265 . 1 1 109 109 LEU HD12 H 1 0.54 0.02 . 1 . . . . A 109 LEU HD12 . 34452 1 1266 . 1 1 109 109 LEU HD13 H 1 0.54 0.02 . 1 . . . . A 109 LEU HD13 . 34452 1 1267 . 1 1 109 109 LEU HD21 H 1 0.63 0.02 . 1 . . . . A 109 LEU HD21 . 34452 1 1268 . 1 1 109 109 LEU HD22 H 1 0.63 0.02 . 1 . . . . A 109 LEU HD22 . 34452 1 1269 . 1 1 109 109 LEU HD23 H 1 0.63 0.02 . 1 . . . . A 109 LEU HD23 . 34452 1 1270 . 1 1 109 109 LEU C C 13 178.23 0.05 . 1 . . . . A 109 LEU C . 34452 1 1271 . 1 1 109 109 LEU CA C 13 57.58 0.05 . 1 . . . . A 109 LEU CA . 34452 1 1272 . 1 1 109 109 LEU CB C 13 40.84 0.05 . 1 . . . . A 109 LEU CB . 34452 1 1273 . 1 1 109 109 LEU CG C 13 26.84 0.05 . 1 . . . . A 109 LEU CG . 34452 1 1274 . 1 1 109 109 LEU CD1 C 13 25.45 0.05 . 1 . . . . A 109 LEU CD1 . 34452 1 1275 . 1 1 109 109 LEU CD2 C 13 23.05 0.05 . 1 . . . . A 109 LEU CD2 . 34452 1 1276 . 1 1 109 109 LEU N N 15 119.94 0.05 . 1 . . . . A 109 LEU N . 34452 1 1277 . 1 1 110 110 LEU H H 1 7.58 0.02 . 1 . . . . A 110 LEU H . 34452 1 1278 . 1 1 110 110 LEU HA H 1 3.76 0.02 . 1 . . . . A 110 LEU HA . 34452 1 1279 . 1 1 110 110 LEU HB2 H 1 1.28 0.02 . 1 . . . . A 110 LEU HB2 . 34452 1 1280 . 1 1 110 110 LEU HB3 H 1 1.72 0.02 . 1 . . . . A 110 LEU HB3 . 34452 1 1281 . 1 1 110 110 LEU HG H 1 1.42 0.02 . 1 . . . . A 110 LEU HG . 34452 1 1282 . 1 1 110 110 LEU HD11 H 1 0.71 0.02 . 1 . . . . A 110 LEU HD11 . 34452 1 1283 . 1 1 110 110 LEU HD12 H 1 0.71 0.02 . 1 . . . . A 110 LEU HD12 . 34452 1 1284 . 1 1 110 110 LEU HD13 H 1 0.71 0.02 . 1 . . . . A 110 LEU HD13 . 34452 1 1285 . 1 1 110 110 LEU HD21 H 1 0.73 0.02 . 1 . . . . A 110 LEU HD21 . 34452 1 1286 . 1 1 110 110 LEU HD22 H 1 0.73 0.02 . 1 . . . . A 110 LEU HD22 . 34452 1 1287 . 1 1 110 110 LEU HD23 H 1 0.73 0.02 . 1 . . . . A 110 LEU HD23 . 34452 1 1288 . 1 1 110 110 LEU C C 13 179.45 0.05 . 1 . . . . A 110 LEU C . 34452 1 1289 . 1 1 110 110 LEU CA C 13 57.55 0.05 . 1 . . . . A 110 LEU CA . 34452 1 1290 . 1 1 110 110 LEU CB C 13 41.21 0.05 . 1 . . . . A 110 LEU CB . 34452 1 1291 . 1 1 110 110 LEU CG C 13 26.81 0.05 . 1 . . . . A 110 LEU CG . 34452 1 1292 . 1 1 110 110 LEU CD1 C 13 23.46 0.05 . 1 . . . . A 110 LEU CD1 . 34452 1 1293 . 1 1 110 110 LEU CD2 C 13 24.61 0.05 . 1 . . . . A 110 LEU CD2 . 34452 1 1294 . 1 1 110 110 LEU N N 15 117.63 0.05 . 1 . . . . A 110 LEU N . 34452 1 1295 . 1 1 111 111 ALA H H 1 8.00 0.02 . 1 . . . . A 111 ALA H . 34452 1 1296 . 1 1 111 111 ALA HA H 1 3.97 0.02 . 1 . . . . A 111 ALA HA . 34452 1 1297 . 1 1 111 111 ALA HB1 H 1 1.29 0.02 . 1 . . . . A 111 ALA HB1 . 34452 1 1298 . 1 1 111 111 ALA HB2 H 1 1.29 0.02 . 1 . . . . A 111 ALA HB2 . 34452 1 1299 . 1 1 111 111 ALA HB3 H 1 1.29 0.02 . 1 . . . . A 111 ALA HB3 . 34452 1 1300 . 1 1 111 111 ALA C C 13 179.79 0.05 . 1 . . . . A 111 ALA C . 34452 1 1301 . 1 1 111 111 ALA CA C 13 54.50 0.05 . 1 . . . . A 111 ALA CA . 34452 1 1302 . 1 1 111 111 ALA CB C 13 17.52 0.05 . 1 . . . . A 111 ALA CB . 34452 1 1303 . 1 1 111 111 ALA N N 15 121.34 0.05 . 1 . . . . A 111 ALA N . 34452 1 1304 . 1 1 112 112 ALA H H 1 7.49 0.02 . 1 . . . . A 112 ALA H . 34452 1 1305 . 1 1 112 112 ALA HA H 1 4.01 0.02 . 1 . . . . A 112 ALA HA . 34452 1 1306 . 1 1 112 112 ALA HB1 H 1 1.38 0.02 . 1 . . . . A 112 ALA HB1 . 34452 1 1307 . 1 1 112 112 ALA HB2 H 1 1.38 0.02 . 1 . . . . A 112 ALA HB2 . 34452 1 1308 . 1 1 112 112 ALA HB3 H 1 1.38 0.02 . 1 . . . . A 112 ALA HB3 . 34452 1 1309 . 1 1 112 112 ALA C C 13 179.45 0.05 . 1 . . . . A 112 ALA C . 34452 1 1310 . 1 1 112 112 ALA CA C 13 54.38 0.05 . 1 . . . . A 112 ALA CA . 34452 1 1311 . 1 1 112 112 ALA CB C 13 17.96 0.05 . 1 . . . . A 112 ALA CB . 34452 1 1312 . 1 1 112 112 ALA N N 15 120.10 0.05 . 1 . . . . A 112 ALA N . 34452 1 1313 . 1 1 113 113 LEU H H 1 7.69 0.02 . 1 . . . . A 113 LEU H . 34452 1 1314 . 1 1 113 113 LEU HA H 1 4.00 0.02 . 1 . . . . A 113 LEU HA . 34452 1 1315 . 1 1 113 113 LEU HB2 H 1 1.79 0.02 . 1 . . . . A 113 LEU HB2 . 34452 1 1316 . 1 1 113 113 LEU HB3 H 1 1.40 0.02 . 1 . . . . A 113 LEU HB3 . 34452 1 1317 . 1 1 113 113 LEU HG H 1 1.62 0.02 . 1 . . . . A 113 LEU HG . 34452 1 1318 . 1 1 113 113 LEU HD11 H 1 0.51 0.02 . 1 . . . . A 113 LEU HD11 . 34452 1 1319 . 1 1 113 113 LEU HD12 H 1 0.51 0.02 . 1 . . . . A 113 LEU HD12 . 34452 1 1320 . 1 1 113 113 LEU HD13 H 1 0.51 0.02 . 1 . . . . A 113 LEU HD13 . 34452 1 1321 . 1 1 113 113 LEU HD21 H 1 0.43 0.02 . 1 . . . . A 113 LEU HD21 . 34452 1 1322 . 1 1 113 113 LEU HD22 H 1 0.43 0.02 . 1 . . . . A 113 LEU HD22 . 34452 1 1323 . 1 1 113 113 LEU HD23 H 1 0.43 0.02 . 1 . . . . A 113 LEU HD23 . 34452 1 1324 . 1 1 113 113 LEU C C 13 178.01 0.05 . 1 . . . . A 113 LEU C . 34452 1 1325 . 1 1 113 113 LEU CA C 13 56.80 0.05 . 1 . . . . A 113 LEU CA . 34452 1 1326 . 1 1 113 113 LEU CB C 13 42.36 0.05 . 1 . . . . A 113 LEU CB . 34452 1 1327 . 1 1 113 113 LEU CG C 13 26.44 0.05 . 1 . . . . A 113 LEU CG . 34452 1 1328 . 1 1 113 113 LEU CD1 C 13 25.68 0.05 . 1 . . . . A 113 LEU CD1 . 34452 1 1329 . 1 1 113 113 LEU CD2 C 13 24.77 0.05 . 1 . . . . A 113 LEU CD2 . 34452 1 1330 . 1 1 113 113 LEU N N 15 116.91 0.05 . 1 . . . . A 113 LEU N . 34452 1 1331 . 1 1 114 114 THR H H 1 8.02 0.02 . 1 . . . . A 114 THR H . 34452 1 1332 . 1 1 114 114 THR HA H 1 3.99 0.02 . 1 . . . . A 114 THR HA . 34452 1 1333 . 1 1 114 114 THR HB H 1 4.17 0.02 . 1 . . . . A 114 THR HB . 34452 1 1334 . 1 1 114 114 THR HG21 H 1 1.05 0.02 . 1 . . . . A 114 THR HG21 . 34452 1 1335 . 1 1 114 114 THR HG22 H 1 1.05 0.02 . 1 . . . . A 114 THR HG22 . 34452 1 1336 . 1 1 114 114 THR HG23 H 1 1.05 0.02 . 1 . . . . A 114 THR HG23 . 34452 1 1337 . 1 1 114 114 THR C C 13 175.79 0.05 . 1 . . . . A 114 THR C . 34452 1 1338 . 1 1 114 114 THR CA C 13 63.65 0.05 . 1 . . . . A 114 THR CA . 34452 1 1339 . 1 1 114 114 THR CB C 13 69.13 0.05 . 1 . . . . A 114 THR CB . 34452 1 1340 . 1 1 114 114 THR CG2 C 13 21.23 0.05 . 1 . . . . A 114 THR CG2 . 34452 1 1341 . 1 1 114 114 THR N N 15 111.45 0.05 . 1 . . . . A 114 THR N . 34452 1 1342 . 1 1 115 115 SER H H 1 7.90 0.02 . 1 . . . . A 115 SER H . 34452 1 1343 . 1 1 115 115 SER HA H 1 4.15 0.02 . 1 . . . . A 115 SER HA . 34452 1 1344 . 1 1 115 115 SER HB2 H 1 3.79 0.02 . 1 . . . . A 115 SER HB2 . 34452 1 1345 . 1 1 115 115 SER HB3 H 1 3.79 0.02 . 1 . . . . A 115 SER HB3 . 34452 1 1346 . 1 1 115 115 SER C C 13 175.41 0.05 . 1 . . . . A 115 SER C . 34452 1 1347 . 1 1 115 115 SER CA C 13 59.97 0.05 . 1 . . . . A 115 SER CA . 34452 1 1348 . 1 1 115 115 SER CB C 13 63.11 0.05 . 1 . . . . A 115 SER CB . 34452 1 1349 . 1 1 115 115 SER N N 15 116.77 0.05 . 1 . . . . A 115 SER N . 34452 1 1350 . 1 1 116 116 ALA H H 1 7.81 0.02 . 1 . . . . A 116 ALA H . 34452 1 1351 . 1 1 116 116 ALA HA H 1 4.06 0.02 . 1 . . . . A 116 ALA HA . 34452 1 1352 . 1 1 116 116 ALA HB1 H 1 1.30 0.02 . 1 . . . . A 116 ALA HB1 . 34452 1 1353 . 1 1 116 116 ALA HB2 H 1 1.30 0.02 . 1 . . . . A 116 ALA HB2 . 34452 1 1354 . 1 1 116 116 ALA HB3 H 1 1.30 0.02 . 1 . . . . A 116 ALA HB3 . 34452 1 1355 . 1 1 116 116 ALA C C 13 177.98 0.05 . 1 . . . . A 116 ALA C . 34452 1 1356 . 1 1 116 116 ALA CA C 13 53.38 0.05 . 1 . . . . A 116 ALA CA . 34452 1 1357 . 1 1 116 116 ALA CB C 13 18.50 0.05 . 1 . . . . A 116 ALA CB . 34452 1 1358 . 1 1 116 116 ALA N N 15 124.52 0.05 . 1 . . . . A 116 ALA N . 34452 1 1359 . 1 1 117 117 ALA H H 1 7.85 0.02 . 1 . . . . A 117 ALA H . 34452 1 1360 . 1 1 117 117 ALA HA H 1 4.05 0.02 . 1 . . . . A 117 ALA HA . 34452 1 1361 . 1 1 117 117 ALA HB1 H 1 1.24 0.02 . 1 . . . . A 117 ALA HB1 . 34452 1 1362 . 1 1 117 117 ALA HB2 H 1 1.24 0.02 . 1 . . . . A 117 ALA HB2 . 34452 1 1363 . 1 1 117 117 ALA HB3 H 1 1.24 0.02 . 1 . . . . A 117 ALA HB3 . 34452 1 1364 . 1 1 117 117 ALA C C 13 178.18 0.05 . 1 . . . . A 117 ALA C . 34452 1 1365 . 1 1 117 117 ALA CA C 13 53.11 0.05 . 1 . . . . A 117 ALA CA . 34452 1 1366 . 1 1 117 117 ALA CB C 13 18.58 0.05 . 1 . . . . A 117 ALA CB . 34452 1 1367 . 1 1 117 117 ALA N N 15 121.04 0.05 . 1 . . . . A 117 ALA N . 34452 1 1368 . 1 1 118 118 LEU H H 1 7.75 0.02 . 1 . . . . A 118 LEU H . 34452 1 1369 . 1 1 118 118 LEU HA H 1 4.06 0.02 . 1 . . . . A 118 LEU HA . 34452 1 1370 . 1 1 118 118 LEU HB2 H 1 1.51 0.02 . 1 . . . . A 118 LEU HB2 . 34452 1 1371 . 1 1 118 118 LEU HB3 H 1 1.36 0.02 . 1 . . . . A 118 LEU HB3 . 34452 1 1372 . 1 1 118 118 LEU HG H 1 1.52 0.02 . 1 . . . . A 118 LEU HG . 34452 1 1373 . 1 1 118 118 LEU HD11 H 1 0.71 0.02 . 1 . . . . A 118 LEU HD11 . 34452 1 1374 . 1 1 118 118 LEU HD12 H 1 0.71 0.02 . 1 . . . . A 118 LEU HD12 . 34452 1 1375 . 1 1 118 118 LEU HD13 H 1 0.71 0.02 . 1 . . . . A 118 LEU HD13 . 34452 1 1376 . 1 1 118 118 LEU HD21 H 1 0.65 0.02 . 1 . . . . A 118 LEU HD21 . 34452 1 1377 . 1 1 118 118 LEU HD22 H 1 0.65 0.02 . 1 . . . . A 118 LEU HD22 . 34452 1 1378 . 1 1 118 118 LEU HD23 H 1 0.65 0.02 . 1 . . . . A 118 LEU HD23 . 34452 1 1379 . 1 1 118 118 LEU C C 13 177.61 0.05 . 1 . . . . A 118 LEU C . 34452 1 1380 . 1 1 118 118 LEU CA C 13 55.43 0.05 . 1 . . . . A 118 LEU CA . 34452 1 1381 . 1 1 118 118 LEU CB C 13 42.06 0.05 . 1 . . . . A 118 LEU CB . 34452 1 1382 . 1 1 118 118 LEU CG C 13 26.66 0.05 . 1 . . . . A 118 LEU CG . 34452 1 1383 . 1 1 118 118 LEU CD1 C 13 24.98 0.05 . 1 . . . . A 118 LEU CD1 . 34452 1 1384 . 1 1 118 118 LEU CD2 C 13 22.75 0.05 . 1 . . . . A 118 LEU CD2 . 34452 1 1385 . 1 1 118 118 LEU N N 15 119.33 0.05 . 1 . . . . A 118 LEU N . 34452 1 1386 . 1 1 119 119 GLU H H 1 7.88 0.02 . 1 . . . . A 119 GLU H . 34452 1 1387 . 1 1 119 119 GLU HA H 1 3.98 0.02 . 1 . . . . A 119 GLU HA . 34452 1 1388 . 1 1 119 119 GLU HB2 H 1 1.74 0.02 . 1 . . . . A 119 GLU HB2 . 34452 1 1389 . 1 1 119 119 GLU HB3 H 1 1.74 0.02 . 1 . . . . A 119 GLU HB3 . 34452 1 1390 . 1 1 119 119 GLU HG2 H 1 2.08 0.02 . 1 . . . . A 119 GLU HG2 . 34452 1 1391 . 1 1 119 119 GLU HG3 H 1 2.08 0.02 . 1 . . . . A 119 GLU HG3 . 34452 1 1392 . 1 1 119 119 GLU C C 13 176.31 0.05 . 1 . . . . A 119 GLU C . 34452 1 1393 . 1 1 119 119 GLU CA C 13 56.73 0.05 . 1 . . . . A 119 GLU CA . 34452 1 1394 . 1 1 119 119 GLU CB C 13 29.87 0.05 . 1 . . . . A 119 GLU CB . 34452 1 1395 . 1 1 119 119 GLU CG C 13 35.87 0.05 . 1 . . . . A 119 GLU CG . 34452 1 1396 . 1 1 119 119 GLU N N 15 119.77 0.05 . 1 . . . . A 119 GLU N . 34452 1 1397 . 1 1 120 120 HIS H H 1 7.93 0.02 . 1 . . . . A 120 HIS H . 34452 1 1398 . 1 1 120 120 HIS HA H 1 4.34 0.02 . 1 . . . . A 120 HIS HA . 34452 1 1399 . 1 1 120 120 HIS HB2 H 1 2.80 0.02 . 1 . . . . A 120 HIS HB2 . 34452 1 1400 . 1 1 120 120 HIS HB3 H 1 2.80 0.02 . 1 . . . . A 120 HIS HB3 . 34452 1 1401 . 1 1 120 120 HIS CA C 13 56.74 0.05 . 1 . . . . A 120 HIS CA . 34452 1 1402 . 1 1 120 120 HIS CB C 13 30.81 0.05 . 1 . . . . A 120 HIS CB . 34452 1 1403 . 1 1 120 120 HIS N N 15 119.48 0.05 . 1 . . . . A 120 HIS N . 34452 1 stop_ save_