data_6300 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6300 _Entry.Title ; Solution structure of rat Kalirin N-terminal SH3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-08-26 _Entry.Accession_date 2004-08-26 _Entry.Last_release_date 2004-08-26 _Entry.Original_release_date 2004-08-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 . 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. Schiller . R. . . 6300 2 K. Chakrabarti . . . . 6300 3 G. King . F. . . 6300 4 N. Schiller . I. . . 6300 5 B. Eipper . A. . . 6300 6 M. Maciejewski . W. . . 6300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 314 6300 '15N chemical shifts' 78 6300 '1H chemical shifts' 502 6300 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 . . 2007-03-22 . original BMRB . 6300 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1U3O 'BMRB Entry Tracking System' 6300 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6300 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16644733 _Citation.Full_citation . _Citation.Title ; Regulation of RhoGEF activity by intramolecular and intermolecular SH3 domain interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 27 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 18774 _Citation.Page_last 18786 _Citation.Year 2006 _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 M. Schiller . R. . . 6300 1 2 K. Chakrabarti . . . . 6300 1 3 G. King . F. . . 6300 1 4 N. Schiller . I. . . 6300 1 5 B. Eipper . A. . . 6300 1 6 M. Maciejewski . W. . . 6300 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SH3 6300 1 cis-Proline 6300 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SH3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SH3 _Assembly.Entry_ID 6300 _Assembly.ID 1 _Assembly.Name Kalirin _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6300 1 stop_ 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 Kalirin 1 $SH3 . . . native . . . . . 6300 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1U3O . . . . . . 6300 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Kalirin abbreviation 6300 1 Kalirin system 6300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SH3 _Entity.Sf_category entity _Entity.Sf_framecode SH3 _Entity.Entry_ID 6300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Kalirin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPGIPGSTLSGGCELT VVLQDFSAAHSSELSIQVGQ TVELLERPSERPGWCLVRTT ERSPPQEGLVPSSTLCISHS RS ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1U3O . 'Solution Structure Of Rat Kalirin N-Terminal Sh3 Domain' . . . . . 100.00 82 100.00 100.00 8.84e-38 . . . . 6300 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Kalirin abbreviation 6300 1 Kalirin common 6300 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6300 1 2 . PRO . 6300 1 3 . LEU . 6300 1 4 . GLY . 6300 1 5 . SER . 6300 1 6 . PRO . 6300 1 7 . GLY . 6300 1 8 . ILE . 6300 1 9 . PRO . 6300 1 10 . GLY . 6300 1 11 . SER . 6300 1 12 . THR . 6300 1 13 . LEU . 6300 1 14 . SER . 6300 1 15 . GLY . 6300 1 16 . GLY . 6300 1 17 . CYS . 6300 1 18 . GLU . 6300 1 19 . LEU . 6300 1 20 . THR . 6300 1 21 . VAL . 6300 1 22 . VAL . 6300 1 23 . LEU . 6300 1 24 . GLN . 6300 1 25 . ASP . 6300 1 26 . PHE . 6300 1 27 . SER . 6300 1 28 . ALA . 6300 1 29 . ALA . 6300 1 30 . HIS . 6300 1 31 . SER . 6300 1 32 . SER . 6300 1 33 . GLU . 6300 1 34 . LEU . 6300 1 35 . SER . 6300 1 36 . ILE . 6300 1 37 . GLN . 6300 1 38 . VAL . 6300 1 39 . GLY . 6300 1 40 . GLN . 6300 1 41 . THR . 6300 1 42 . VAL . 6300 1 43 . GLU . 6300 1 44 . LEU . 6300 1 45 . LEU . 6300 1 46 . GLU . 6300 1 47 . ARG . 6300 1 48 . PRO . 6300 1 49 . SER . 6300 1 50 . GLU . 6300 1 51 . ARG . 6300 1 52 . PRO . 6300 1 53 . GLY . 6300 1 54 . TRP . 6300 1 55 . CYS . 6300 1 56 . LEU . 6300 1 57 . VAL . 6300 1 58 . ARG . 6300 1 59 . THR . 6300 1 60 . THR . 6300 1 61 . GLU . 6300 1 62 . ARG . 6300 1 63 . SER . 6300 1 64 . PRO . 6300 1 65 . PRO . 6300 1 66 . GLN . 6300 1 67 . GLU . 6300 1 68 . GLY . 6300 1 69 . LEU . 6300 1 70 . VAL . 6300 1 71 . PRO . 6300 1 72 . SER . 6300 1 73 . SER . 6300 1 74 . THR . 6300 1 75 . LEU . 6300 1 76 . CYS . 6300 1 77 . ILE . 6300 1 78 . SER . 6300 1 79 . HIS . 6300 1 80 . SER . 6300 1 81 . ARG . 6300 1 82 . SER . 6300 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 . GLY 1 1 6300 1 . PRO 2 2 6300 1 . LEU 3 3 6300 1 . GLY 4 4 6300 1 . SER 5 5 6300 1 . PRO 6 6 6300 1 . GLY 7 7 6300 1 . ILE 8 8 6300 1 . PRO 9 9 6300 1 . GLY 10 10 6300 1 . SER 11 11 6300 1 . THR 12 12 6300 1 . LEU 13 13 6300 1 . SER 14 14 6300 1 . GLY 15 15 6300 1 . GLY 16 16 6300 1 . CYS 17 17 6300 1 . GLU 18 18 6300 1 . LEU 19 19 6300 1 . THR 20 20 6300 1 . VAL 21 21 6300 1 . VAL 22 22 6300 1 . LEU 23 23 6300 1 . GLN 24 24 6300 1 . ASP 25 25 6300 1 . PHE 26 26 6300 1 . SER 27 27 6300 1 . ALA 28 28 6300 1 . ALA 29 29 6300 1 . HIS 30 30 6300 1 . SER 31 31 6300 1 . SER 32 32 6300 1 . GLU 33 33 6300 1 . LEU 34 34 6300 1 . SER 35 35 6300 1 . ILE 36 36 6300 1 . GLN 37 37 6300 1 . VAL 38 38 6300 1 . GLY 39 39 6300 1 . GLN 40 40 6300 1 . THR 41 41 6300 1 . VAL 42 42 6300 1 . GLU 43 43 6300 1 . LEU 44 44 6300 1 . LEU 45 45 6300 1 . GLU 46 46 6300 1 . ARG 47 47 6300 1 . PRO 48 48 6300 1 . SER 49 49 6300 1 . GLU 50 50 6300 1 . ARG 51 51 6300 1 . PRO 52 52 6300 1 . GLY 53 53 6300 1 . TRP 54 54 6300 1 . CYS 55 55 6300 1 . LEU 56 56 6300 1 . VAL 57 57 6300 1 . ARG 58 58 6300 1 . THR 59 59 6300 1 . THR 60 60 6300 1 . GLU 61 61 6300 1 . ARG 62 62 6300 1 . SER 63 63 6300 1 . PRO 64 64 6300 1 . PRO 65 65 6300 1 . GLN 66 66 6300 1 . GLU 67 67 6300 1 . GLY 68 68 6300 1 . LEU 69 69 6300 1 . VAL 70 70 6300 1 . PRO 71 71 6300 1 . SER 72 72 6300 1 . SER 73 73 6300 1 . THR 74 74 6300 1 . LEU 75 75 6300 1 . CYS 76 76 6300 1 . ILE 77 77 6300 1 . SER 78 78 6300 1 . HIS 79 79 6300 1 . SER 80 80 6300 1 . ARG 81 81 6300 1 . SER 82 82 6300 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 6300 _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 $SH3 . 'Norway rat' . . 'Rattus norvegicus' 10116 . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 6300 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 6300 _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 $SH3 . 'recombinant technology' . . . . . . . . . . . . . . . . 6300 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6300 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Kalirin [U-15N] . . 1 $SH3 . . 0.4 . . mM . . . . 6300 1 2 HEPES . . . . . . . 50 . . mM . . . . 6300 1 3 NaCl . . . . . . . 150 . . mM . . . . 6300 1 4 dithiotheitol . . . . . . . 1 . . mM . . . . 6300 1 5 H2O . . . . . . . 92.5 . . % . . . . 6300 1 6 D2O . . . . . . . 7.5 . . % . . . . 6300 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6300 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Kalirin '[U-13C; U-15N]' . . 1 $SH3 . . 1 . . mM . . . . 6300 2 2 HEPES . . . . . . . 50 . . mM . . . . 6300 2 3 NaCl . . . . . . . 150 . . mM . . . . 6300 2 4 dithiotheitol . . . . . . . 1 . . mM . . . . 6300 2 5 H2O . . . . . . . 92.5 . . % . . . . 6300 2 6 D2O . . . . . . . 7.5 . . % . . . . 6300 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6300 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 6300 1 pH 6.4 . pH 6300 1 pressure 1 . atm 6300 1 temperature 298 . K 6300 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6300 _Software.ID 1 _Software.Type . _Software.Name DYANA _Software.Version 1.5 _Software.DOI . _Software.Details 'Guntert, P., Mumenthaler, C., and Wuthrich, K.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6300 1 stop_ save_ save_cyana _Software.Sf_category software _Software.Sf_framecode cyana _Software.Entry_ID 6300 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 1.0.0 _Software.DOI . _Software.Details Guntert,P., loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6300 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6300 _Software.ID 3 _Software.Type . _Software.Name X-PLOR _Software.Version 3.851 _Software.DOI . _Software.Details 'Brunger, A.T.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6300 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6300 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 2.3 _Software.DOI . _Software.Details 'Delaglio,F., Grzesiek,S., Vuister,G.W., Zhu,G., Pfeifer,J., and Bax,A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6300 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6300 _Software.ID 5 _Software.Type . _Software.Name XEASY _Software.Version 1.4 _Software.DOI . _Software.Details 'Bartels,C., Xia,T., Billeter,M., Guntert,P., and Wuthrich,K.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6300 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 6300 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details 'Cornilescu,G., Delaglio,F., and Bax,A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6300 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6300 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 6300 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 6300 _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 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6300 1 2 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6300 1 3 '3D HN(CO)CACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6300 1 4 '3D C(CO)NH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6300 1 5 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6300 1 6 '3D 13C HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6300 1 7 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6300 1 8 HC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6300 1 9 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6300 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6300 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . . . 6300 1 H 1 . . . . . . ppm . . . . . . . . . 6300 1 N 15 . . . . . . ppm . . . . . . . . . 6300 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6300 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HNHA 1 $sample_1 . 6300 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 GLY H H 1 8.8 . . 1 . . . . . . . . . 6300 1 2 . 1 1 1 1 GLY CA C 13 45.5 . . 1 . . . . . . . . . 6300 1 3 . 1 1 1 1 GLY HA2 H 1 4.17 . . 2 . . . . . . . . . 6300 1 4 . 1 1 2 2 PRO CD C 13 49.7 . . 1 . . . . . . . . . 6300 1 5 . 1 1 2 2 PRO CA C 13 63.2 . . 1 . . . . . . . . . 6300 1 6 . 1 1 2 2 PRO HA H 1 4.51 . . 1 . . . . . . . . . 6300 1 7 . 1 1 2 2 PRO CB C 13 32.3 . . 1 . . . . . . . . . 6300 1 8 . 1 1 2 2 PRO HB2 H 1 2.35 . . 2 . . . . . . . . . 6300 1 9 . 1 1 2 2 PRO HB3 H 1 1.97 . . 2 . . . . . . . . . 6300 1 10 . 1 1 2 2 PRO CG C 13 26.7 . . 1 . . . . . . . . . 6300 1 11 . 1 1 2 2 PRO HG2 H 1 2.06 . . 2 . . . . . . . . . 6300 1 12 . 1 1 2 2 PRO HD2 H 1 3.61 . . 2 . . . . . . . . . 6300 1 13 . 1 1 2 2 PRO C C 13 177.0 . . 1 . . . . . . . . . 6300 1 14 . 1 1 3 3 LEU N N 15 122.1 . . 1 . . . . . . . . . 6300 1 15 . 1 1 3 3 LEU H H 1 8.50 . . 1 . . . . . . . . . 6300 1 16 . 1 1 3 3 LEU CA C 13 55.5 . . 1 . . . . . . . . . 6300 1 17 . 1 1 3 3 LEU HA H 1 4.36 . . 1 . . . . . . . . . 6300 1 18 . 1 1 3 3 LEU CB C 13 42.4 . . 1 . . . . . . . . . 6300 1 19 . 1 1 3 3 LEU HB2 H 1 1.75 . . 2 . . . . . . . . . 6300 1 20 . 1 1 3 3 LEU HB3 H 1 1.64 . . 2 . . . . . . . . . 6300 1 21 . 1 1 3 3 LEU CG C 13 27.0 . . 1 . . . . . . . . . 6300 1 22 . 1 1 3 3 LEU HG H 1 1.68 . . 1 . . . . . . . . . 6300 1 23 . 1 1 3 3 LEU HD11 H 1 0.90 . . 2 . . . . . . . . . 6300 1 24 . 1 1 3 3 LEU HD12 H 1 0.90 . . 2 . . . . . . . . . 6300 1 25 . 1 1 3 3 LEU HD13 H 1 0.90 . . 2 . . . . . . . . . 6300 1 26 . 1 1 3 3 LEU HD21 H 1 0.80 . . 2 . . . . . . . . . 6300 1 27 . 1 1 3 3 LEU HD22 H 1 0.80 . . 2 . . . . . . . . . 6300 1 28 . 1 1 3 3 LEU HD23 H 1 0.80 . . 2 . . . . . . . . . 6300 1 29 . 1 1 3 3 LEU CD1 C 13 24.9 . . 1 . . . . . . . . . 6300 1 30 . 1 1 3 3 LEU CD2 C 13 23.4 . . 1 . . . . . . . . . 6300 1 31 . 1 1 3 3 LEU C C 13 177.9 . . 1 . . . . . . . . . 6300 1 32 . 1 1 4 4 GLY N N 15 109.7 . . 1 . . . . . . . . . 6300 1 33 . 1 1 4 4 GLY H H 1 8.36 . . 1 . . . . . . . . . 6300 1 34 . 1 1 4 4 GLY CA C 13 45.5 . . 1 . . . . . . . . . 6300 1 35 . 1 1 4 4 GLY HA2 H 1 4.00 . . 2 . . . . . . . . . 6300 1 36 . 1 1 4 4 GLY C C 13 173.8 . . 1 . . . . . . . . . 6300 1 37 . 1 1 5 5 SER N N 15 116.8 . . 1 . . . . . . . . . 6300 1 38 . 1 1 5 5 SER H H 1 8.17 . . 1 . . . . . . . . . 6300 1 39 . 1 1 5 5 SER CA C 13 56.2 . . 1 . . . . . . . . . 6300 1 40 . 1 1 5 5 SER HA H 1 4.82 . . 1 . . . . . . . . . 6300 1 41 . 1 1 5 5 SER CB C 13 63.5 . . 1 . . . . . . . . . 6300 1 42 . 1 1 5 5 SER HB2 H 1 3.85 . . 2 . . . . . . . . . 6300 1 43 . 1 1 5 5 SER HB3 H 1 3.89 . . 2 . . . . . . . . . 6300 1 44 . 1 1 6 6 PRO CD C 13 50.7 . . 1 . . . . . . . . . 6300 1 45 . 1 1 6 6 PRO CA C 13 63.8 . . 1 . . . . . . . . . 6300 1 46 . 1 1 6 6 PRO HA H 1 4.47 . . 1 . . . . . . . . . 6300 1 47 . 1 1 6 6 PRO CB C 13 32.0 . . 1 . . . . . . . . . 6300 1 48 . 1 1 6 6 PRO HB2 H 1 2.34 . . 2 . . . . . . . . . 6300 1 49 . 1 1 6 6 PRO HB3 H 1 2.01 . . 2 . . . . . . . . . 6300 1 50 . 1 1 6 6 PRO CG C 13 26.7 . . 1 . . . . . . . . . 6300 1 51 . 1 1 6 6 PRO HG2 H 1 2.07 . . 2 . . . . . . . . . 6300 1 52 . 1 1 6 6 PRO HD2 H 1 3.76 . . 2 . . . . . . . . . 6300 1 53 . 1 1 6 6 PRO HD3 H 1 3.85 . . 2 . . . . . . . . . 6300 1 54 . 1 1 6 6 PRO C C 13 177.4 . . 1 . . . . . . . . . 6300 1 55 . 1 1 7 7 GLY N N 15 108.9 . . 1 . . . . . . . . . 6300 1 56 . 1 1 7 7 GLY H H 1 8.37 . . 1 . . . . . . . . . 6300 1 57 . 1 1 7 7 GLY CA C 13 44.9 . . 1 . . . . . . . . . 6300 1 58 . 1 1 7 7 GLY HA2 H 1 3.94 . . 2 . . . . . . . . . 6300 1 59 . 1 1 7 7 GLY C C 13 173.7 . . 1 . . . . . . . . . 6300 1 60 . 1 1 8 8 ILE N N 15 121.7 . . 1 . . . . . . . . . 6300 1 61 . 1 1 8 8 ILE H H 1 8.00 . . 1 . . . . . . . . . 6300 1 62 . 1 1 8 8 ILE CA C 13 58.4 . . 1 . . . . . . . . . 6300 1 63 . 1 1 8 8 ILE HA H 1 4.51 . . 1 . . . . . . . . . 6300 1 64 . 1 1 8 8 ILE CB C 13 38.7 . . 1 . . . . . . . . . 6300 1 65 . 1 1 8 8 ILE HB H 1 1.89 . . 1 . . . . . . . . . 6300 1 66 . 1 1 8 8 ILE HG21 H 1 0.96 . . 1 . . . . . . . . . 6300 1 67 . 1 1 8 8 ILE HG22 H 1 0.96 . . 1 . . . . . . . . . 6300 1 68 . 1 1 8 8 ILE HG23 H 1 0.96 . . 1 . . . . . . . . . 6300 1 69 . 1 1 8 8 ILE CG2 C 13 17.4 . . 1 . . . . . . . . . 6300 1 70 . 1 1 8 8 ILE CG1 C 13 27.5 . . 1 . . . . . . . . . 6300 1 71 . 1 1 8 8 ILE HG12 H 1 1.49 . . 2 . . . . . . . . . 6300 1 72 . 1 1 8 8 ILE HG13 H 1 1.18 . . 2 . . . . . . . . . 6300 1 73 . 1 1 8 8 ILE HD11 H 1 0.87 . . 1 . . . . . . . . . 6300 1 74 . 1 1 8 8 ILE HD12 H 1 0.87 . . 1 . . . . . . . . . 6300 1 75 . 1 1 8 8 ILE HD13 H 1 0.87 . . 1 . . . . . . . . . 6300 1 76 . 1 1 8 8 ILE CD1 C 13 13.4 . . 1 . . . . . . . . . 6300 1 77 . 1 1 9 9 PRO CD C 13 51.1 . . 1 . . . . . . . . . 6300 1 78 . 1 1 9 9 PRO CA C 13 64.0 . . 1 . . . . . . . . . 6300 1 79 . 1 1 9 9 PRO HA H 1 4.47 . . 1 . . . . . . . . . 6300 1 80 . 1 1 9 9 PRO CB C 13 32.0 . . 1 . . . . . . . . . 6300 1 81 . 1 1 9 9 PRO HB2 H 1 2.35 . . 2 . . . . . . . . . 6300 1 82 . 1 1 9 9 PRO HB3 H 1 2.00 . . 2 . . . . . . . . . 6300 1 83 . 1 1 9 9 PRO CG C 13 27.3 . . 1 . . . . . . . . . 6300 1 84 . 1 1 9 9 PRO HG2 H 1 2.06 . . 2 . . . . . . . . . 6300 1 85 . 1 1 9 9 PRO HD2 H 1 3.73 . . 2 . . . . . . . . . 6300 1 86 . 1 1 9 9 PRO HD3 H 1 3.86 . . 2 . . . . . . . . . 6300 1 87 . 1 1 9 9 PRO C C 13 177.6 . . 1 . . . . . . . . . 6300 1 88 . 1 1 10 10 GLY N N 15 110.0 . . 1 . . . . . . . . . 6300 1 89 . 1 1 10 10 GLY H H 1 8.55 . . 1 . . . . . . . . . 6300 1 90 . 1 1 10 10 GLY CA C 13 45.5 . . 1 . . . . . . . . . 6300 1 91 . 1 1 10 10 GLY HA2 H 1 3.97 . . 2 . . . . . . . . . 6300 1 92 . 1 1 10 10 GLY C C 13 174.4 . . 1 . . . . . . . . . 6300 1 93 . 1 1 11 11 SER N N 15 115.3 . . 1 . . . . . . . . . 6300 1 94 . 1 1 11 11 SER H H 1 8.16 . . 1 . . . . . . . . . 6300 1 95 . 1 1 11 11 SER CA C 13 58.5 . . 1 . . . . . . . . . 6300 1 96 . 1 1 11 11 SER HA H 1 4.58 . . 1 . . . . . . . . . 6300 1 97 . 1 1 11 11 SER CB C 13 64.1 . . 1 . . . . . . . . . 6300 1 98 . 1 1 11 11 SER HB2 H 1 3.97 . . 2 . . . . . . . . . 6300 1 99 . 1 1 11 11 SER HB3 H 1 3.91 . . 2 . . . . . . . . . 6300 1 100 . 1 1 11 11 SER C C 13 175.0 . . 1 . . . . . . . . . 6300 1 101 . 1 1 12 12 THR N N 15 116.2 . . 1 . . . . . . . . . 6300 1 102 . 1 1 12 12 THR H H 1 8.29 . . 1 . . . . . . . . . 6300 1 103 . 1 1 12 12 THR CA C 13 62.1 . . 1 . . . . . . . . . 6300 1 104 . 1 1 12 12 THR HA H 1 4.39 . . 1 . . . . . . . . . 6300 1 105 . 1 1 12 12 THR CB C 13 69.7 . . 1 . . . . . . . . . 6300 1 106 . 1 1 12 12 THR HB H 1 4.27 . . 1 . . . . . . . . . 6300 1 107 . 1 1 12 12 THR HG21 H 1 1.22 . . 1 . . . . . . . . . 6300 1 108 . 1 1 12 12 THR HG22 H 1 1.22 . . 1 . . . . . . . . . 6300 1 109 . 1 1 12 12 THR HG23 H 1 1.22 . . 1 . . . . . . . . . 6300 1 110 . 1 1 12 12 THR CG2 C 13 21.6 . . 1 . . . . . . . . . 6300 1 111 . 1 1 12 12 THR C C 13 174.7 . . 1 . . . . . . . . . 6300 1 112 . 1 1 13 13 LEU N N 15 124.4 . . 1 . . . . . . . . . 6300 1 113 . 1 1 13 13 LEU H H 1 8.27 . . 1 . . . . . . . . . 6300 1 114 . 1 1 13 13 LEU CA C 13 55.4 . . 1 . . . . . . . . . 6300 1 115 . 1 1 13 13 LEU HA H 1 4.46 . . 1 . . . . . . . . . 6300 1 116 . 1 1 13 13 LEU CB C 13 42.4 . . 1 . . . . . . . . . 6300 1 117 . 1 1 13 13 LEU HB2 H 1 1.69 . . 2 . . . . . . . . . 6300 1 118 . 1 1 13 13 LEU HB3 H 1 1.55 . . 2 . . . . . . . . . 6300 1 119 . 1 1 13 13 LEU CG C 13 27.0 . . 1 . . . . . . . . . 6300 1 120 . 1 1 13 13 LEU HG H 1 1.71 . . 1 . . . . . . . . . 6300 1 121 . 1 1 13 13 LEU HD11 H 1 0.95 . . 2 . . . . . . . . . 6300 1 122 . 1 1 13 13 LEU HD12 H 1 0.95 . . 2 . . . . . . . . . 6300 1 123 . 1 1 13 13 LEU HD13 H 1 0.95 . . 2 . . . . . . . . . 6300 1 124 . 1 1 13 13 LEU HD21 H 1 0.93 . . 2 . . . . . . . . . 6300 1 125 . 1 1 13 13 LEU HD22 H 1 0.93 . . 2 . . . . . . . . . 6300 1 126 . 1 1 13 13 LEU HD23 H 1 0.93 . . 2 . . . . . . . . . 6300 1 127 . 1 1 13 13 LEU CD1 C 13 25.0 . . 1 . . . . . . . . . 6300 1 128 . 1 1 13 13 LEU CD2 C 13 23.5 . . 1 . . . . . . . . . 6300 1 129 . 1 1 13 13 LEU C C 13 177.5 . . 1 . . . . . . . . . 6300 1 130 . 1 1 14 14 SER N N 15 116.7 . . 1 . . . . . . . . . 6300 1 131 . 1 1 14 14 SER H H 1 8.36 . . 1 . . . . . . . . . 6300 1 132 . 1 1 14 14 SER CA C 13 58.4 . . 1 . . . . . . . . . 6300 1 133 . 1 1 14 14 SER HA H 1 4.54 . . 1 . . . . . . . . . 6300 1 134 . 1 1 14 14 SER CB C 13 64.0 . . 1 . . . . . . . . . 6300 1 135 . 1 1 14 14 SER HB2 H 1 3.89 . . 2 . . . . . . . . . 6300 1 136 . 1 1 14 14 SER C C 13 175.2 . . 1 . . . . . . . . . 6300 1 137 . 1 1 15 15 GLY N N 15 111.2 . . 1 . . . . . . . . . 6300 1 138 . 1 1 15 15 GLY H H 1 8.45 . . 1 . . . . . . . . . 6300 1 139 . 1 1 15 15 GLY CA C 13 45.5 . . 1 . . . . . . . . . 6300 1 140 . 1 1 15 15 GLY HA3 H 1 4.02 . . 2 . . . . . . . . . 6300 1 141 . 1 1 15 15 GLY C C 13 174.7 . . 1 . . . . . . . . . 6300 1 142 . 1 1 16 16 GLY N N 15 108.8 . . 1 . . . . . . . . . 6300 1 143 . 1 1 16 16 GLY H H 1 8.31 . . 1 . . . . . . . . . 6300 1 144 . 1 1 16 16 GLY CA C 13 45.5 . . 1 . . . . . . . . . 6300 1 145 . 1 1 16 16 GLY HA3 H 1 4.01 . . 2 . . . . . . . . . 6300 1 146 . 1 1 16 16 GLY C C 13 173.8 . . 1 . . . . . . . . . 6300 1 147 . 1 1 17 17 CYS N N 15 118.8 . . 1 . . . . . . . . . 6300 1 148 . 1 1 17 17 CYS H H 1 8.23 . . 1 . . . . . . . . . 6300 1 149 . 1 1 17 17 CYS CA C 13 58.4 . . 1 . . . . . . . . . 6300 1 150 . 1 1 17 17 CYS HA H 1 4.55 . . 1 . . . . . . . . . 6300 1 151 . 1 1 17 17 CYS CB C 13 28.7 . . 1 . . . . . . . . . 6300 1 152 . 1 1 17 17 CYS HB2 H 1 2.87 . . 2 . . . . . . . . . 6300 1 153 . 1 1 17 17 CYS HB3 H 1 2.91 . . 2 . . . . . . . . . 6300 1 154 . 1 1 17 17 CYS C C 13 174.0 . . 1 . . . . . . . . . 6300 1 155 . 1 1 18 18 GLU N N 15 124.9 . . 1 . . . . . . . . . 6300 1 156 . 1 1 18 18 GLU H H 1 8.79 . . 1 . . . . . . . . . 6300 1 157 . 1 1 18 18 GLU CA C 13 56.3 . . 1 . . . . . . . . . 6300 1 158 . 1 1 18 18 GLU HA H 1 4.46 . . 1 . . . . . . . . . 6300 1 159 . 1 1 18 18 GLU CB C 13 30.7 . . 1 . . . . . . . . . 6300 1 160 . 1 1 18 18 GLU HB2 H 1 1.98 . . 2 . . . . . . . . . 6300 1 161 . 1 1 18 18 GLU HB3 H 1 2.14 . . 2 . . . . . . . . . 6300 1 162 . 1 1 18 18 GLU CG C 13 36.1 . . 1 . . . . . . . . . 6300 1 163 . 1 1 18 18 GLU HG2 H 1 2.26 . . 2 . . . . . . . . . 6300 1 164 . 1 1 18 18 GLU C C 13 174.9 . . 1 . . . . . . . . . 6300 1 165 . 1 1 19 19 LEU N N 15 125.1 . . 1 . . . . . . . . . 6300 1 166 . 1 1 19 19 LEU H H 1 8.35 . . 1 . . . . . . . . . 6300 1 167 . 1 1 19 19 LEU CA C 13 53.9 . . 1 . . . . . . . . . 6300 1 168 . 1 1 19 19 LEU HA H 1 5.06 . . 1 . . . . . . . . . 6300 1 169 . 1 1 19 19 LEU CB C 13 43.3 . . 1 . . . . . . . . . 6300 1 170 . 1 1 19 19 LEU HB2 H 1 1.76 . . 2 . . . . . . . . . 6300 1 171 . 1 1 19 19 LEU HB3 H 1 1.28 . . 2 . . . . . . . . . 6300 1 172 . 1 1 19 19 LEU CG C 13 26.9 . . 1 . . . . . . . . . 6300 1 173 . 1 1 19 19 LEU HG H 1 1.67 . . 1 . . . . . . . . . 6300 1 174 . 1 1 19 19 LEU HD11 H 1 0.91 . . 2 . . . . . . . . . 6300 1 175 . 1 1 19 19 LEU HD12 H 1 0.91 . . 2 . . . . . . . . . 6300 1 176 . 1 1 19 19 LEU HD13 H 1 0.91 . . 2 . . . . . . . . . 6300 1 177 . 1 1 19 19 LEU HD21 H 1 0.77 . . 2 . . . . . . . . . 6300 1 178 . 1 1 19 19 LEU HD22 H 1 0.77 . . 2 . . . . . . . . . 6300 1 179 . 1 1 19 19 LEU HD23 H 1 0.77 . . 2 . . . . . . . . . 6300 1 180 . 1 1 19 19 LEU CD1 C 13 25.3 . . 1 . . . . . . . . . 6300 1 181 . 1 1 19 19 LEU CD2 C 13 23.6 . . 1 . . . . . . . . . 6300 1 182 . 1 1 19 19 LEU C C 13 177.2 . . 1 . . . . . . . . . 6300 1 183 . 1 1 20 20 THR N N 15 117.8 . . 1 . . . . . . . . . 6300 1 184 . 1 1 20 20 THR H H 1 9.19 . . 1 . . . . . . . . . 6300 1 185 . 1 1 20 20 THR CA C 13 60.2 . . 1 . . . . . . . . . 6300 1 186 . 1 1 20 20 THR HA H 1 4.78 . . 1 . . . . . . . . . 6300 1 187 . 1 1 20 20 THR CB C 13 70.3 . . 1 . . . . . . . . . 6300 1 188 . 1 1 20 20 THR HB H 1 3.94 . . 1 . . . . . . . . . 6300 1 189 . 1 1 20 20 THR HG21 H 1 1.06 . . 1 . . . . . . . . . 6300 1 190 . 1 1 20 20 THR HG22 H 1 1.06 . . 1 . . . . . . . . . 6300 1 191 . 1 1 20 20 THR HG23 H 1 1.06 . . 1 . . . . . . . . . 6300 1 192 . 1 1 20 20 THR CG2 C 13 21.5 . . 1 . . . . . . . . . 6300 1 193 . 1 1 20 20 THR C C 13 171.5 . . 1 . . . . . . . . . 6300 1 194 . 1 1 21 21 VAL N N 15 125.1 . . 1 . . . . . . . . . 6300 1 195 . 1 1 21 21 VAL H H 1 8.22 . . 1 . . . . . . . . . 6300 1 196 . 1 1 21 21 VAL CA C 13 61.0 . . 1 . . . . . . . . . 6300 1 197 . 1 1 21 21 VAL HA H 1 4.88 . . 1 . . . . . . . . . 6300 1 198 . 1 1 21 21 VAL CB C 13 34.3 . . 1 . . . . . . . . . 6300 1 199 . 1 1 21 21 VAL HB H 1 1.93 . . 1 . . . . . . . . . 6300 1 200 . 1 1 21 21 VAL HG11 H 1 0.90 . . 2 . . . . . . . . . 6300 1 201 . 1 1 21 21 VAL HG12 H 1 0.90 . . 2 . . . . . . . . . 6300 1 202 . 1 1 21 21 VAL HG13 H 1 0.90 . . 2 . . . . . . . . . 6300 1 203 . 1 1 21 21 VAL HG21 H 1 0.97 . . 2 . . . . . . . . . 6300 1 204 . 1 1 21 21 VAL HG22 H 1 0.97 . . 2 . . . . . . . . . 6300 1 205 . 1 1 21 21 VAL HG23 H 1 0.97 . . 2 . . . . . . . . . 6300 1 206 . 1 1 21 21 VAL CG1 C 13 21.6 . . 1 . . . . . . . . . 6300 1 207 . 1 1 21 21 VAL CG2 C 13 21.6 . . 1 . . . . . . . . . 6300 1 208 . 1 1 21 21 VAL C C 13 175.0 . . 1 . . . . . . . . . 6300 1 209 . 1 1 22 22 VAL N N 15 126.5 . . 1 . . . . . . . . . 6300 1 210 . 1 1 22 22 VAL H H 1 8.66 . . 1 . . . . . . . . . 6300 1 211 . 1 1 22 22 VAL CA C 13 63.5 . . 1 . . . . . . . . . 6300 1 212 . 1 1 22 22 VAL HA H 1 4.12 . . 1 . . . . . . . . . 6300 1 213 . 1 1 22 22 VAL CB C 13 32.5 . . 1 . . . . . . . . . 6300 1 214 . 1 1 22 22 VAL HB H 1 2.26 . . 1 . . . . . . . . . 6300 1 215 . 1 1 22 22 VAL HG11 H 1 0.92 . . 2 . . . . . . . . . 6300 1 216 . 1 1 22 22 VAL HG12 H 1 0.92 . . 2 . . . . . . . . . 6300 1 217 . 1 1 22 22 VAL HG13 H 1 0.92 . . 2 . . . . . . . . . 6300 1 218 . 1 1 22 22 VAL HG21 H 1 0.85 . . 2 . . . . . . . . . 6300 1 219 . 1 1 22 22 VAL HG22 H 1 0.85 . . 2 . . . . . . . . . 6300 1 220 . 1 1 22 22 VAL HG23 H 1 0.85 . . 2 . . . . . . . . . 6300 1 221 . 1 1 22 22 VAL CG1 C 13 22.9 . . 1 . . . . . . . . . 6300 1 222 . 1 1 22 22 VAL CG2 C 13 23.9 . . 1 . . . . . . . . . 6300 1 223 . 1 1 22 22 VAL C C 13 177.4 . . 1 . . . . . . . . . 6300 1 224 . 1 1 23 23 LEU N N 15 128.2 . . 1 . . . . . . . . . 6300 1 225 . 1 1 23 23 LEU H H 1 9.45 . . 1 . . . . . . . . . 6300 1 226 . 1 1 23 23 LEU CA C 13 55.1 . . 1 . . . . . . . . . 6300 1 227 . 1 1 23 23 LEU HA H 1 4.45 . . 1 . . . . . . . . . 6300 1 228 . 1 1 23 23 LEU CB C 13 44.1 . . 1 . . . . . . . . . 6300 1 229 . 1 1 23 23 LEU HB2 H 1 1.56 . . 2 . . . . . . . . . 6300 1 230 . 1 1 23 23 LEU CG C 13 26.7 . . 1 . . . . . . . . . 6300 1 231 . 1 1 23 23 LEU HG H 1 1.54 . . 1 . . . . . . . . . 6300 1 232 . 1 1 23 23 LEU HD11 H 1 0.80 . . 2 . . . . . . . . . 6300 1 233 . 1 1 23 23 LEU HD12 H 1 0.80 . . 2 . . . . . . . . . 6300 1 234 . 1 1 23 23 LEU HD13 H 1 0.80 . . 2 . . . . . . . . . 6300 1 235 . 1 1 23 23 LEU HD21 H 1 0.81 . . 2 . . . . . . . . . 6300 1 236 . 1 1 23 23 LEU HD22 H 1 0.81 . . 2 . . . . . . . . . 6300 1 237 . 1 1 23 23 LEU HD23 H 1 0.81 . . 2 . . . . . . . . . 6300 1 238 . 1 1 23 23 LEU CD1 C 13 25.1 . . 1 . . . . . . . . . 6300 1 239 . 1 1 23 23 LEU CD2 C 13 23.2 . . 1 . . . . . . . . . 6300 1 240 . 1 1 23 23 LEU C C 13 176.3 . . 1 . . . . . . . . . 6300 1 241 . 1 1 24 24 GLN N N 15 118.6 . . 1 . . . . . . . . . 6300 1 242 . 1 1 24 24 GLN H H 1 7.39 . . 1 . . . . . . . . . 6300 1 243 . 1 1 24 24 GLN CA C 13 54.2 . . 1 . . . . . . . . . 6300 1 244 . 1 1 24 24 GLN HA H 1 4.45 . . 1 . . . . . . . . . 6300 1 245 . 1 1 24 24 GLN CB C 13 33.2 . . 1 . . . . . . . . . 6300 1 246 . 1 1 24 24 GLN HB2 H 1 1.76 . . 2 . . . . . . . . . 6300 1 247 . 1 1 24 24 GLN HB3 H 1 1.88 . . 2 . . . . . . . . . 6300 1 248 . 1 1 24 24 GLN CG C 13 33.4 . . 1 . . . . . . . . . 6300 1 249 . 1 1 24 24 GLN HG2 H 1 2.33 . . 2 . . . . . . . . . 6300 1 250 . 1 1 24 24 GLN HG3 H 1 2.44 . . 2 . . . . . . . . . 6300 1 251 . 1 1 24 24 GLN NE2 N 15 111.2 . . 1 . . . . . . . . . 6300 1 252 . 1 1 24 24 GLN HE21 H 1 6.74 . . 2 . . . . . . . . . 6300 1 253 . 1 1 24 24 GLN HE22 H 1 7.42 . . 2 . . . . . . . . . 6300 1 254 . 1 1 24 24 GLN C C 13 172.0 . . 1 . . . . . . . . . 6300 1 255 . 1 1 25 25 ASP N N 15 120.1 . . 1 . . . . . . . . . 6300 1 256 . 1 1 25 25 ASP H H 1 8.15 . . 1 . . . . . . . . . 6300 1 257 . 1 1 25 25 ASP CA C 13 54.8 . . 1 . . . . . . . . . 6300 1 258 . 1 1 25 25 ASP HA H 1 4.61 . . 1 . . . . . . . . . 6300 1 259 . 1 1 25 25 ASP CB C 13 42.0 . . 1 . . . . . . . . . 6300 1 260 . 1 1 25 25 ASP HB2 H 1 2.75 . . 2 . . . . . . . . . 6300 1 261 . 1 1 25 25 ASP HB3 H 1 2.53 . . 2 . . . . . . . . . 6300 1 262 . 1 1 25 25 ASP C C 13 176.4 . . 1 . . . . . . . . . 6300 1 263 . 1 1 26 26 PHE N N 15 121.7 . . 1 . . . . . . . . . 6300 1 264 . 1 1 26 26 PHE H H 1 8.47 . . 1 . . . . . . . . . 6300 1 265 . 1 1 26 26 PHE CA C 13 58.4 . . 1 . . . . . . . . . 6300 1 266 . 1 1 26 26 PHE HA H 1 4.69 . . 1 . . . . . . . . . 6300 1 267 . 1 1 26 26 PHE CB C 13 42.3 . . 1 . . . . . . . . . 6300 1 268 . 1 1 26 26 PHE HB2 H 1 3.25 . . 2 . . . . . . . . . 6300 1 269 . 1 1 26 26 PHE HB3 H 1 2.88 . . 2 . . . . . . . . . 6300 1 270 . 1 1 26 26 PHE HD1 H 1 7.60 . . 1 . . . . . . . . . 6300 1 271 . 1 1 26 26 PHE HD2 H 1 7.60 . . 1 . . . . . . . . . 6300 1 272 . 1 1 26 26 PHE HE1 H 1 7.84 . . 1 . . . . . . . . . 6300 1 273 . 1 1 26 26 PHE HE2 H 1 7.84 . . 1 . . . . . . . . . 6300 1 274 . 1 1 26 26 PHE C C 13 173.2 . . 1 . . . . . . . . . 6300 1 275 . 1 1 27 27 SER N N 15 124.2 . . 1 . . . . . . . . . 6300 1 276 . 1 1 27 27 SER H H 1 7.90 . . 1 . . . . . . . . . 6300 1 277 . 1 1 27 27 SER CA C 13 55.9 . . 1 . . . . . . . . . 6300 1 278 . 1 1 27 27 SER HA H 1 4.56 . . 1 . . . . . . . . . 6300 1 279 . 1 1 27 27 SER CB C 13 64.1 . . 1 . . . . . . . . . 6300 1 280 . 1 1 27 27 SER HB2 H 1 3.43 . . 2 . . . . . . . . . 6300 1 281 . 1 1 27 27 SER HB3 H 1 3.58 . . 2 . . . . . . . . . 6300 1 282 . 1 1 27 27 SER C C 13 171.6 . . 1 . . . . . . . . . 6300 1 283 . 1 1 28 28 ALA N N 15 127.4 . . 1 . . . . . . . . . 6300 1 284 . 1 1 28 28 ALA H H 1 8.33 . . 1 . . . . . . . . . 6300 1 285 . 1 1 28 28 ALA CA C 13 52.9 . . 1 . . . . . . . . . 6300 1 286 . 1 1 28 28 ALA HA H 1 4.06 . . 1 . . . . . . . . . 6300 1 287 . 1 1 28 28 ALA HB1 H 1 1.34 . . 1 . . . . . . . . . 6300 1 288 . 1 1 28 28 ALA HB2 H 1 1.34 . . 1 . . . . . . . . . 6300 1 289 . 1 1 28 28 ALA HB3 H 1 1.34 . . 1 . . . . . . . . . 6300 1 290 . 1 1 28 28 ALA CB C 13 20.5 . . 1 . . . . . . . . . 6300 1 291 . 1 1 28 28 ALA C C 13 178.1 . . 1 . . . . . . . . . 6300 1 292 . 1 1 29 29 ALA N N 15 124.5 . . 1 . . . . . . . . . 6300 1 293 . 1 1 29 29 ALA H H 1 9.13 . . 1 . . . . . . . . . 6300 1 294 . 1 1 29 29 ALA CA C 13 51.7 . . 1 . . . . . . . . . 6300 1 295 . 1 1 29 29 ALA HA H 1 4.50 . . 1 . . . . . . . . . 6300 1 296 . 1 1 29 29 ALA HB1 H 1 1.42 . . 1 . . . . . . . . . 6300 1 297 . 1 1 29 29 ALA HB2 H 1 1.42 . . 1 . . . . . . . . . 6300 1 298 . 1 1 29 29 ALA HB3 H 1 1.42 . . 1 . . . . . . . . . 6300 1 299 . 1 1 29 29 ALA CB C 13 20.5 . . 1 . . . . . . . . . 6300 1 300 . 1 1 29 29 ALA C C 13 176.3 . . 1 . . . . . . . . . 6300 1 301 . 1 1 30 30 HIS N N 15 117.0 . . 1 . . . . . . . . . 6300 1 302 . 1 1 30 30 HIS H H 1 7.46 . . 1 . . . . . . . . . 6300 1 303 . 1 1 30 30 HIS CA C 13 54.5 . . 1 . . . . . . . . . 6300 1 304 . 1 1 30 30 HIS HA H 1 4.47 . . 1 . . . . . . . . . 6300 1 305 . 1 1 30 30 HIS CB C 13 33.7 . . 1 . . . . . . . . . 6300 1 306 . 1 1 30 30 HIS HB2 H 1 1.87 . . 2 . . . . . . . . . 6300 1 307 . 1 1 30 30 HIS HB3 H 1 1.76 . . 2 . . . . . . . . . 6300 1 308 . 1 1 30 30 HIS HD2 H 1 7.33 . . 1 . . . . . . . . . 6300 1 309 . 1 1 30 30 HIS HE1 H 1 7.60 . . 1 . . . . . . . . . 6300 1 310 . 1 1 31 31 SER N N 15 124.9 . . 1 . . . . . . . . . 6300 1 311 . 1 1 31 31 SER H H 1 8.57 . . 1 . . . . . . . . . 6300 1 312 . 1 1 31 31 SER HA H 1 4.97 . . 1 . . . . . . . . . 6300 1 313 . 1 1 31 31 SER HB2 H 1 4.36 . . 2 . . . . . . . . . 6300 1 314 . 1 1 31 31 SER HB3 H 1 4.07 . . 2 . . . . . . . . . 6300 1 315 . 1 1 31 31 SER C C 13 176.1 . . 1 . . . . . . . . . 6300 1 316 . 1 1 32 32 SER N N 15 115.6 . . 1 . . . . . . . . . 6300 1 317 . 1 1 32 32 SER H H 1 8.55 . . 1 . . . . . . . . . 6300 1 318 . 1 1 32 32 SER CA C 13 59.6 . . 1 . . . . . . . . . 6300 1 319 . 1 1 32 32 SER HA H 1 4.28 . . 1 . . . . . . . . . 6300 1 320 . 1 1 32 32 SER CB C 13 65.2 . . 1 . . . . . . . . . 6300 1 321 . 1 1 32 32 SER HB2 H 1 3.84 . . 2 . . . . . . . . . 6300 1 322 . 1 1 32 32 SER C C 13 175.1 . . 1 . . . . . . . . . 6300 1 323 . 1 1 33 33 GLU N N 15 123.7 . . 1 . . . . . . . . . 6300 1 324 . 1 1 33 33 GLU H H 1 7.99 . . 1 . . . . . . . . . 6300 1 325 . 1 1 33 33 GLU CA C 13 55.1 . . 1 . . . . . . . . . 6300 1 326 . 1 1 33 33 GLU HA H 1 5.40 . . 1 . . . . . . . . . 6300 1 327 . 1 1 33 33 GLU CB C 13 32.6 . . 1 . . . . . . . . . 6300 1 328 . 1 1 33 33 GLU HB2 H 1 2.56 . . 2 . . . . . . . . . 6300 1 329 . 1 1 33 33 GLU CG C 13 36.4 . . 1 . . . . . . . . . 6300 1 330 . 1 1 33 33 GLU HG2 H 1 2.45 . . 2 . . . . . . . . . 6300 1 331 . 1 1 33 33 GLU C C 13 174.5 . . 1 . . . . . . . . . 6300 1 332 . 1 1 34 34 LEU N N 15 123.2 . . 1 . . . . . . . . . 6300 1 333 . 1 1 34 34 LEU H H 1 8.10 . . 1 . . . . . . . . . 6300 1 334 . 1 1 34 34 LEU CA C 13 53.2 . . 1 . . . . . . . . . 6300 1 335 . 1 1 34 34 LEU HA H 1 4.75 . . 1 . . . . . . . . . 6300 1 336 . 1 1 34 34 LEU CB C 13 46.6 . . 1 . . . . . . . . . 6300 1 337 . 1 1 34 34 LEU HB2 H 1 1.59 . . 2 . . . . . . . . . 6300 1 338 . 1 1 34 34 LEU HB3 H 1 0.77 . . 2 . . . . . . . . . 6300 1 339 . 1 1 34 34 LEU CG C 13 26.2 . . 1 . . . . . . . . . 6300 1 340 . 1 1 34 34 LEU HG H 1 1.48 . . 1 . . . . . . . . . 6300 1 341 . 1 1 34 34 LEU HD11 H 1 0.61 . . 2 . . . . . . . . . 6300 1 342 . 1 1 34 34 LEU HD12 H 1 0.61 . . 2 . . . . . . . . . 6300 1 343 . 1 1 34 34 LEU HD13 H 1 0.61 . . 2 . . . . . . . . . 6300 1 344 . 1 1 34 34 LEU HD21 H 1 0.81 . . 2 . . . . . . . . . 6300 1 345 . 1 1 34 34 LEU HD22 H 1 0.81 . . 2 . . . . . . . . . 6300 1 346 . 1 1 34 34 LEU HD23 H 1 0.81 . . 2 . . . . . . . . . 6300 1 347 . 1 1 34 34 LEU CD1 C 13 26.5 . . 1 . . . . . . . . . 6300 1 348 . 1 1 34 34 LEU CD2 C 13 24.6 . . 1 . . . . . . . . . 6300 1 349 . 1 1 34 34 LEU C C 13 174.4 . . 1 . . . . . . . . . 6300 1 350 . 1 1 35 35 SER N N 15 119.8 . . 1 . . . . . . . . . 6300 1 351 . 1 1 35 35 SER H H 1 8.19 . . 1 . . . . . . . . . 6300 1 352 . 1 1 35 35 SER CA C 13 59.0 . . 1 . . . . . . . . . 6300 1 353 . 1 1 35 35 SER HA H 1 5.11 . . 1 . . . . . . . . . 6300 1 354 . 1 1 35 35 SER CB C 13 63.0 . . 1 . . . . . . . . . 6300 1 355 . 1 1 35 35 SER HB2 H 1 4.05 . . 2 . . . . . . . . . 6300 1 356 . 1 1 35 35 SER HB3 H 1 3.89 . . 2 . . . . . . . . . 6300 1 357 . 1 1 35 35 SER C C 13 174.2 . . 1 . . . . . . . . . 6300 1 358 . 1 1 36 36 ILE N N 15 118.1 . . 1 . . . . . . . . . 6300 1 359 . 1 1 36 36 ILE H H 1 9.11 . . 1 . . . . . . . . . 6300 1 360 . 1 1 36 36 ILE CA C 13 60.3 . . 1 . . . . . . . . . 6300 1 361 . 1 1 36 36 ILE HA H 1 5.05 . . 1 . . . . . . . . . 6300 1 362 . 1 1 36 36 ILE CB C 13 43.5 . . 1 . . . . . . . . . 6300 1 363 . 1 1 36 36 ILE HB H 1 1.97 . . 1 . . . . . . . . . 6300 1 364 . 1 1 36 36 ILE HG21 H 1 0.83 . . 1 . . . . . . . . . 6300 1 365 . 1 1 36 36 ILE HG22 H 1 0.83 . . 1 . . . . . . . . . 6300 1 366 . 1 1 36 36 ILE HG23 H 1 0.83 . . 1 . . . . . . . . . 6300 1 367 . 1 1 36 36 ILE CG2 C 13 18.7 . . 1 . . . . . . . . . 6300 1 368 . 1 1 36 36 ILE CG1 C 13 25.8 . . 1 . . . . . . . . . 6300 1 369 . 1 1 36 36 ILE HG12 H 1 1.78 . . 2 . . . . . . . . . 6300 1 370 . 1 1 36 36 ILE HG13 H 1 1.61 . . 2 . . . . . . . . . 6300 1 371 . 1 1 36 36 ILE HD11 H 1 1.00 . . 1 . . . . . . . . . 6300 1 372 . 1 1 36 36 ILE HD12 H 1 1.00 . . 1 . . . . . . . . . 6300 1 373 . 1 1 36 36 ILE HD13 H 1 1.00 . . 1 . . . . . . . . . 6300 1 374 . 1 1 36 36 ILE CD1 C 13 13.2 . . 1 . . . . . . . . . 6300 1 375 . 1 1 36 36 ILE C C 13 175.3 . . 1 . . . . . . . . . 6300 1 376 . 1 1 37 37 GLN N N 15 119.0 . . 1 . . . . . . . . . 6300 1 377 . 1 1 37 37 GLN H H 1 8.21 . . 1 . . . . . . . . . 6300 1 378 . 1 1 37 37 GLN CA C 13 53.4 . . 1 . . . . . . . . . 6300 1 379 . 1 1 37 37 GLN HA H 1 5.35 . . 1 . . . . . . . . . 6300 1 380 . 1 1 37 37 GLN CB C 13 33.8 . . 1 . . . . . . . . . 6300 1 381 . 1 1 37 37 GLN HB2 H 1 2.06 . . 2 . . . . . . . . . 6300 1 382 . 1 1 37 37 GLN HB3 H 1 1.85 . . 2 . . . . . . . . . 6300 1 383 . 1 1 37 37 GLN CG C 13 34.4 . . 1 . . . . . . . . . 6300 1 384 . 1 1 37 37 GLN HG2 H 1 2.34 . . 2 . . . . . . . . . 6300 1 385 . 1 1 37 37 GLN HG3 H 1 2.21 . . 2 . . . . . . . . . 6300 1 386 . 1 1 37 37 GLN NE2 N 15 47.1 . . 1 . . . . . . . . . 6300 1 387 . 1 1 37 37 GLN HE21 H 1 6.71 . . 2 . . . . . . . . . 6300 1 388 . 1 1 37 37 GLN HE22 H 1 7.57 . . 2 . . . . . . . . . 6300 1 389 . 1 1 37 37 GLN C C 13 174.8 . . 1 . . . . . . . . . 6300 1 390 . 1 1 38 38 VAL N N 15 119.6 . . 1 . . . . . . . . . 6300 1 391 . 1 1 38 38 VAL H H 1 8.34 . . 1 . . . . . . . . . 6300 1 392 . 1 1 38 38 VAL CA C 13 64.9 . . 1 . . . . . . . . . 6300 1 393 . 1 1 38 38 VAL HA H 1 3.15 . . 1 . . . . . . . . . 6300 1 394 . 1 1 38 38 VAL CB C 13 32.0 . . 1 . . . . . . . . . 6300 1 395 . 1 1 38 38 VAL HB H 1 1.84 . . 1 . . . . . . . . . 6300 1 396 . 1 1 38 38 VAL HG11 H 1 0.96 . . 2 . . . . . . . . . 6300 1 397 . 1 1 38 38 VAL HG12 H 1 0.96 . . 2 . . . . . . . . . 6300 1 398 . 1 1 38 38 VAL HG13 H 1 0.96 . . 2 . . . . . . . . . 6300 1 399 . 1 1 38 38 VAL HG21 H 1 0.92 . . 2 . . . . . . . . . 6300 1 400 . 1 1 38 38 VAL HG22 H 1 0.92 . . 2 . . . . . . . . . 6300 1 401 . 1 1 38 38 VAL HG23 H 1 0.92 . . 2 . . . . . . . . . 6300 1 402 . 1 1 38 38 VAL CG1 C 13 22.3 . . 1 . . . . . . . . . 6300 1 403 . 1 1 38 38 VAL CG2 C 13 20.9 . . 1 . . . . . . . . . 6300 1 404 . 1 1 38 38 VAL C C 13 177.3 . . 1 . . . . . . . . . 6300 1 405 . 1 1 39 39 GLY N N 15 114.8 . . 1 . . . . . . . . . 6300 1 406 . 1 1 39 39 GLY H H 1 8.77 . . 1 . . . . . . . . . 6300 1 407 . 1 1 39 39 GLY CA C 13 44.7 . . 1 . . . . . . . . . 6300 1 408 . 1 1 39 39 GLY HA2 H 1 4.41 . . 2 . . . . . . . . . 6300 1 409 . 1 1 39 39 GLY HA3 H 1 3.56 . . 2 . . . . . . . . . 6300 1 410 . 1 1 39 39 GLY C C 13 174.5 . . 1 . . . . . . . . . 6300 1 411 . 1 1 40 40 GLN N N 15 122.0 . . 1 . . . . . . . . . 6300 1 412 . 1 1 40 40 GLN H H 1 7.99 . . 1 . . . . . . . . . 6300 1 413 . 1 1 40 40 GLN CA C 13 56.5 . . 1 . . . . . . . . . 6300 1 414 . 1 1 40 40 GLN HA H 1 4.36 . . 1 . . . . . . . . . 6300 1 415 . 1 1 40 40 GLN CB C 13 30.0 . . 1 . . . . . . . . . 6300 1 416 . 1 1 40 40 GLN HB2 H 1 2.05 . . 2 . . . . . . . . . 6300 1 417 . 1 1 40 40 GLN HB3 H 1 2.35 . . 2 . . . . . . . . . 6300 1 418 . 1 1 40 40 GLN CG C 13 34.1 . . 1 . . . . . . . . . 6300 1 419 . 1 1 40 40 GLN HG2 H 1 2.40 . . 2 . . . . . . . . . 6300 1 420 . 1 1 40 40 GLN HG3 H 1 2.57 . . 2 . . . . . . . . . 6300 1 421 . 1 1 40 40 GLN NE2 N 15 110.2 . . 1 . . . . . . . . . 6300 1 422 . 1 1 40 40 GLN HE21 H 1 7.71 . . 2 . . . . . . . . . 6300 1 423 . 1 1 40 40 GLN HE22 H 1 7.22 . . 2 . . . . . . . . . 6300 1 424 . 1 1 40 40 GLN C C 13 174.8 . . 1 . . . . . . . . . 6300 1 425 . 1 1 41 41 THR N N 15 118.8 . . 1 . . . . . . . . . 6300 1 426 . 1 1 41 41 THR H H 1 8.77 . . 1 . . . . . . . . . 6300 1 427 . 1 1 41 41 THR CA C 13 62.4 . . 1 . . . . . . . . . 6300 1 428 . 1 1 41 41 THR HA H 1 5.13 . . 1 . . . . . . . . . 6300 1 429 . 1 1 41 41 THR CB C 13 69.6 . . 1 . . . . . . . . . 6300 1 430 . 1 1 41 41 THR HB H 1 3.96 . . 1 . . . . . . . . . 6300 1 431 . 1 1 41 41 THR HG21 H 1 1.18 . . 1 . . . . . . . . . 6300 1 432 . 1 1 41 41 THR HG22 H 1 1.18 . . 1 . . . . . . . . . 6300 1 433 . 1 1 41 41 THR HG23 H 1 1.18 . . 1 . . . . . . . . . 6300 1 434 . 1 1 41 41 THR CG2 C 13 22.3 . . 1 . . . . . . . . . 6300 1 435 . 1 1 41 41 THR C C 13 175.5 . . 1 . . . . . . . . . 6300 1 436 . 1 1 42 42 VAL N N 15 120.8 . . 1 . . . . . . . . . 6300 1 437 . 1 1 42 42 VAL H H 1 9.16 . . 1 . . . . . . . . . 6300 1 438 . 1 1 42 42 VAL CA C 13 58.6 . . 1 . . . . . . . . . 6300 1 439 . 1 1 42 42 VAL HA H 1 5.06 . . 1 . . . . . . . . . 6300 1 440 . 1 1 42 42 VAL CB C 13 35.6 . . 1 . . . . . . . . . 6300 1 441 . 1 1 42 42 VAL HB H 1 2.10 . . 1 . . . . . . . . . 6300 1 442 . 1 1 42 42 VAL HG11 H 1 0.73 . . 2 . . . . . . . . . 6300 1 443 . 1 1 42 42 VAL HG12 H 1 0.73 . . 2 . . . . . . . . . 6300 1 444 . 1 1 42 42 VAL HG13 H 1 0.73 . . 2 . . . . . . . . . 6300 1 445 . 1 1 42 42 VAL HG21 H 1 0.60 . . 2 . . . . . . . . . 6300 1 446 . 1 1 42 42 VAL HG22 H 1 0.60 . . 2 . . . . . . . . . 6300 1 447 . 1 1 42 42 VAL HG23 H 1 0.60 . . 2 . . . . . . . . . 6300 1 448 . 1 1 42 42 VAL CG1 C 13 21.7 . . 1 . . . . . . . . . 6300 1 449 . 1 1 42 42 VAL CG2 C 13 18.6 . . 1 . . . . . . . . . 6300 1 450 . 1 1 42 42 VAL C C 13 173.1 . . 1 . . . . . . . . . 6300 1 451 . 1 1 43 43 GLU N N 15 121.4 . . 1 . . . . . . . . . 6300 1 452 . 1 1 43 43 GLU H H 1 9.43 . . 1 . . . . . . . . . 6300 1 453 . 1 1 43 43 GLU CA C 13 54.3 . . 1 . . . . . . . . . 6300 1 454 . 1 1 43 43 GLU HA H 1 4.75 . . 1 . . . . . . . . . 6300 1 455 . 1 1 43 43 GLU CB C 13 31.9 . . 1 . . . . . . . . . 6300 1 456 . 1 1 43 43 GLU HB2 H 1 1.93 . . 2 . . . . . . . . . 6300 1 457 . 1 1 43 43 GLU HB3 H 1 1.68 . . 2 . . . . . . . . . 6300 1 458 . 1 1 43 43 GLU CG C 13 36.1 . . 1 . . . . . . . . . 6300 1 459 . 1 1 43 43 GLU HG2 H 1 2.15 . . 2 . . . . . . . . . 6300 1 460 . 1 1 43 43 GLU HG3 H 1 1.87 . . 2 . . . . . . . . . 6300 1 461 . 1 1 43 43 GLU C C 13 175.8 . . 1 . . . . . . . . . 6300 1 462 . 1 1 44 44 LEU N N 15 127.8 . . 1 . . . . . . . . . 6300 1 463 . 1 1 44 44 LEU H H 1 8.91 . . 1 . . . . . . . . . 6300 1 464 . 1 1 44 44 LEU CA C 13 55.7 . . 1 . . . . . . . . . 6300 1 465 . 1 1 44 44 LEU HA H 1 4.36 . . 1 . . . . . . . . . 6300 1 466 . 1 1 44 44 LEU CB C 13 42.3 . . 1 . . . . . . . . . 6300 1 467 . 1 1 44 44 LEU HB2 H 1 1.88 . . 2 . . . . . . . . . 6300 1 468 . 1 1 44 44 LEU HB3 H 1 1.37 . . 2 . . . . . . . . . 6300 1 469 . 1 1 44 44 LEU CG C 13 28.1 . . 1 . . . . . . . . . 6300 1 470 . 1 1 44 44 LEU HG H 1 1.47 . . 1 . . . . . . . . . 6300 1 471 . 1 1 44 44 LEU HD11 H 1 0.83 . . 2 . . . . . . . . . 6300 1 472 . 1 1 44 44 LEU HD12 H 1 0.83 . . 2 . . . . . . . . . 6300 1 473 . 1 1 44 44 LEU HD13 H 1 0.83 . . 2 . . . . . . . . . 6300 1 474 . 1 1 44 44 LEU HD21 H 1 0.77 . . 2 . . . . . . . . . 6300 1 475 . 1 1 44 44 LEU HD22 H 1 0.77 . . 2 . . . . . . . . . 6300 1 476 . 1 1 44 44 LEU HD23 H 1 0.77 . . 2 . . . . . . . . . 6300 1 477 . 1 1 44 44 LEU CD1 C 13 25.3 . . 1 . . . . . . . . . 6300 1 478 . 1 1 44 44 LEU CD2 C 13 24.8 . . 1 . . . . . . . . . 6300 1 479 . 1 1 44 44 LEU C C 13 175.9 . . 1 . . . . . . . . . 6300 1 480 . 1 1 45 45 LEU N N 15 126.9 . . 1 . . . . . . . . . 6300 1 481 . 1 1 45 45 LEU H H 1 8.84 . . 1 . . . . . . . . . 6300 1 482 . 1 1 45 45 LEU CA C 13 56.2 . . 1 . . . . . . . . . 6300 1 483 . 1 1 45 45 LEU HA H 1 4.55 . . 1 . . . . . . . . . 6300 1 484 . 1 1 45 45 LEU CB C 13 42.7 . . 1 . . . . . . . . . 6300 1 485 . 1 1 45 45 LEU HB2 H 1 1.66 . . 2 . . . . . . . . . 6300 1 486 . 1 1 45 45 LEU HB3 H 1 1.50 . . 2 . . . . . . . . . 6300 1 487 . 1 1 45 45 LEU CG C 13 26.5 . . 1 . . . . . . . . . 6300 1 488 . 1 1 45 45 LEU HG H 1 1.64 . . 1 . . . . . . . . . 6300 1 489 . 1 1 45 45 LEU HD11 H 1 0.91 . . 2 . . . . . . . . . 6300 1 490 . 1 1 45 45 LEU HD12 H 1 0.91 . . 2 . . . . . . . . . 6300 1 491 . 1 1 45 45 LEU HD13 H 1 0.91 . . 2 . . . . . . . . . 6300 1 492 . 1 1 45 45 LEU HD21 H 1 0.72 . . 2 . . . . . . . . . 6300 1 493 . 1 1 45 45 LEU HD22 H 1 0.72 . . 2 . . . . . . . . . 6300 1 494 . 1 1 45 45 LEU HD23 H 1 0.72 . . 2 . . . . . . . . . 6300 1 495 . 1 1 45 45 LEU CD1 C 13 25.5 . . 1 . . . . . . . . . 6300 1 496 . 1 1 45 45 LEU CD2 C 13 22.1 . . 1 . . . . . . . . . 6300 1 497 . 1 1 45 45 LEU C C 13 177.4 . . 1 . . . . . . . . . 6300 1 498 . 1 1 46 46 GLU N N 15 116.0 . . 1 . . . . . . . . . 6300 1 499 . 1 1 46 46 GLU H H 1 7.91 . . 1 . . . . . . . . . 6300 1 500 . 1 1 46 46 GLU CA C 13 55.8 . . 1 . . . . . . . . . 6300 1 501 . 1 1 46 46 GLU HA H 1 4.53 . . 1 . . . . . . . . . 6300 1 502 . 1 1 46 46 GLU CB C 13 33.3 . . 1 . . . . . . . . . 6300 1 503 . 1 1 46 46 GLU HB2 H 1 2.09 . . 2 . . . . . . . . . 6300 1 504 . 1 1 46 46 GLU HB3 H 1 1.97 . . 2 . . . . . . . . . 6300 1 505 . 1 1 46 46 GLU CG C 13 36.1 . . 1 . . . . . . . . . 6300 1 506 . 1 1 46 46 GLU HG2 H 1 2.15 . . 2 . . . . . . . . . 6300 1 507 . 1 1 47 47 ARG CA C 13 53.9 . . 1 . . . . . . . . . 6300 1 508 . 1 1 47 47 ARG HA H 1 4.95 . . 1 . . . . . . . . . 6300 1 509 . 1 1 47 47 ARG CB C 13 31.0 . . 1 . . . . . . . . . 6300 1 510 . 1 1 47 47 ARG HB2 H 1 1.85 . . 2 . . . . . . . . . 6300 1 511 . 1 1 47 47 ARG HB3 H 1 1.75 . . 2 . . . . . . . . . 6300 1 512 . 1 1 47 47 ARG CG C 13 28.1 . . 1 . . . . . . . . . 6300 1 513 . 1 1 47 47 ARG HG2 H 1 1.66 . . 2 . . . . . . . . . 6300 1 514 . 1 1 47 47 ARG CD C 13 44.1 . . 1 . . . . . . . . . 6300 1 515 . 1 1 47 47 ARG HD2 H 1 3.19 . . 2 . . . . . . . . . 6300 1 516 . 1 1 48 48 PRO CA C 13 62.8 . . 1 . . . . . . . . . 6300 1 517 . 1 1 48 48 PRO HA H 1 4.34 . . 1 . . . . . . . . . 6300 1 518 . 1 1 48 48 PRO CB C 13 33.3 . . 1 . . . . . . . . . 6300 1 519 . 1 1 48 48 PRO HB2 H 1 1.81 . . 2 . . . . . . . . . 6300 1 520 . 1 1 48 48 PRO HB3 H 1 1.83 . . 2 . . . . . . . . . 6300 1 521 . 1 1 48 48 PRO CG C 13 23.4 . . 1 . . . . . . . . . 6300 1 522 . 1 1 48 48 PRO HG2 H 1 1.26 . . 2 . . . . . . . . . 6300 1 523 . 1 1 48 48 PRO HD2 H 1 4.11 . . 2 . . . . . . . . . 6300 1 524 . 1 1 48 48 PRO C C 13 178.8 . . 1 . . . . . . . . . 6300 1 525 . 1 1 49 49 SER N N 15 121.7 . . 1 . . . . . . . . . 6300 1 526 . 1 1 49 49 SER H H 1 8.90 . . 1 . . . . . . . . . 6300 1 527 . 1 1 49 49 SER CA C 13 60.1 . . 1 . . . . . . . . . 6300 1 528 . 1 1 49 49 SER HA H 1 4.17 . . 1 . . . . . . . . . 6300 1 529 . 1 1 49 49 SER CB C 13 63.5 . . 1 . . . . . . . . . 6300 1 530 . 1 1 49 49 SER HB2 H 1 3.94 . . 2 . . . . . . . . . 6300 1 531 . 1 1 49 49 SER C C 13 176.1 . . 1 . . . . . . . . . 6300 1 532 . 1 1 50 50 GLU N N 15 119.3 . . 1 . . . . . . . . . 6300 1 533 . 1 1 50 50 GLU H H 1 9.01 . . 1 . . . . . . . . . 6300 1 534 . 1 1 50 50 GLU CA C 13 57.3 . . 1 . . . . . . . . . 6300 1 535 . 1 1 50 50 GLU HA H 1 4.26 . . 1 . . . . . . . . . 6300 1 536 . 1 1 50 50 GLU CB C 13 29.2 . . 1 . . . . . . . . . 6300 1 537 . 1 1 50 50 GLU HB2 H 1 2.13 . . 2 . . . . . . . . . 6300 1 538 . 1 1 50 50 GLU HB3 H 1 2.00 . . 2 . . . . . . . . . 6300 1 539 . 1 1 50 50 GLU CG C 13 36.3 . . 1 . . . . . . . . . 6300 1 540 . 1 1 50 50 GLU HG2 H 1 2.27 . . 2 . . . . . . . . . 6300 1 541 . 1 1 50 50 GLU C C 13 175.9 . . 1 . . . . . . . . . 6300 1 542 . 1 1 51 51 ARG N N 15 119.7 . . 1 . . . . . . . . . 6300 1 543 . 1 1 51 51 ARG H H 1 7.49 . . 1 . . . . . . . . . 6300 1 544 . 1 1 51 51 ARG CA C 13 52.4 . . 1 . . . . . . . . . 6300 1 545 . 1 1 51 51 ARG HA H 1 4.75 . . 1 . . . . . . . . . 6300 1 546 . 1 1 51 51 ARG CB C 13 31.3 . . 1 . . . . . . . . . 6300 1 547 . 1 1 51 51 ARG HB2 H 1 1.69 . . 2 . . . . . . . . . 6300 1 548 . 1 1 51 51 ARG HB3 H 1 1.43 . . 2 . . . . . . . . . 6300 1 549 . 1 1 51 51 ARG CG C 13 26.4 . . 1 . . . . . . . . . 6300 1 550 . 1 1 51 51 ARG HG2 H 1 1.26 . . 2 . . . . . . . . . 6300 1 551 . 1 1 51 51 ARG HG3 H 1 1.36 . . 2 . . . . . . . . . 6300 1 552 . 1 1 51 51 ARG CD C 13 42.7 . . 1 . . . . . . . . . 6300 1 553 . 1 1 51 51 ARG HD2 H 1 2.47 . . 2 . . . . . . . . . 6300 1 554 . 1 1 51 51 ARG HD3 H 1 2.50 . . 2 . . . . . . . . . 6300 1 555 . 1 1 52 52 PRO CD C 13 50.3 . . 1 . . . . . . . . . 6300 1 556 . 1 1 52 52 PRO CA C 13 64.1 . . 1 . . . . . . . . . 6300 1 557 . 1 1 52 52 PRO HA H 1 4.52 . . 1 . . . . . . . . . 6300 1 558 . 1 1 52 52 PRO CB C 13 31.4 . . 1 . . . . . . . . . 6300 1 559 . 1 1 52 52 PRO HB2 H 1 2.36 . . 2 . . . . . . . . . 6300 1 560 . 1 1 52 52 PRO HB3 H 1 1.99 . . 2 . . . . . . . . . 6300 1 561 . 1 1 52 52 PRO CG C 13 27.5 . . 1 . . . . . . . . . 6300 1 562 . 1 1 52 52 PRO HG2 H 1 2.05 . . 2 . . . . . . . . . 6300 1 563 . 1 1 52 52 PRO HD2 H 1 3.64 . . 2 . . . . . . . . . 6300 1 564 . 1 1 52 52 PRO C C 13 178.7 . . 1 . . . . . . . . . 6300 1 565 . 1 1 53 53 GLY N N 15 111.0 . . 1 . . . . . . . . . 6300 1 566 . 1 1 53 53 GLY H H 1 8.82 . . 1 . . . . . . . . . 6300 1 567 . 1 1 53 53 GLY CA C 13 45.4 . . 1 . . . . . . . . . 6300 1 568 . 1 1 53 53 GLY HA2 H 1 3.76 . . 2 . . . . . . . . . 6300 1 569 . 1 1 53 53 GLY HA3 H 1 4.33 . . 2 . . . . . . . . . 6300 1 570 . 1 1 53 53 GLY C C 13 174.6 . . 1 . . . . . . . . . 6300 1 571 . 1 1 54 54 TRP N N 15 122.1 . . 1 . . . . . . . . . 6300 1 572 . 1 1 54 54 TRP H H 1 8.31 . . 1 . . . . . . . . . 6300 1 573 . 1 1 54 54 TRP CA C 13 57.0 . . 1 . . . . . . . . . 6300 1 574 . 1 1 54 54 TRP HA H 1 5.12 . . 1 . . . . . . . . . 6300 1 575 . 1 1 54 54 TRP CB C 13 31.4 . . 1 . . . . . . . . . 6300 1 576 . 1 1 54 54 TRP HB2 H 1 3.08 . . 2 . . . . . . . . . 6300 1 577 . 1 1 54 54 TRP HB3 H 1 3.22 . . 2 . . . . . . . . . 6300 1 578 . 1 1 54 54 TRP NE1 N 15 130.5 . . 1 . . . . . . . . . 6300 1 579 . 1 1 54 54 TRP HD1 H 1 7.21 . . 1 . . . . . . . . . 6300 1 580 . 1 1 54 54 TRP HE3 H 1 7.14 . . 1 . . . . . . . . . 6300 1 581 . 1 1 54 54 TRP HE1 H 1 10.15 . . 1 . . . . . . . . . 6300 1 582 . 1 1 54 54 TRP HZ2 H 1 7.47 . . 1 . . . . . . . . . 6300 1 583 . 1 1 54 54 TRP HH2 H 1 7.38 . . 1 . . . . . . . . . 6300 1 584 . 1 1 54 54 TRP C C 13 175.3 . . 1 . . . . . . . . . 6300 1 585 . 1 1 55 55 CYS N N 15 117.2 . . 1 . . . . . . . . . 6300 1 586 . 1 1 55 55 CYS H H 1 9.58 . . 1 . . . . . . . . . 6300 1 587 . 1 1 55 55 CYS CA C 13 57.5 . . 1 . . . . . . . . . 6300 1 588 . 1 1 55 55 CYS HA H 1 4.99 . . 1 . . . . . . . . . 6300 1 589 . 1 1 55 55 CYS CB C 13 31.7 . . 1 . . . . . . . . . 6300 1 590 . 1 1 55 55 CYS HB2 H 1 2.61 . . 2 . . . . . . . . . 6300 1 591 . 1 1 55 55 CYS HB3 H 1 2.46 . . 2 . . . . . . . . . 6300 1 592 . 1 1 55 55 CYS C C 13 172.4 . . 1 . . . . . . . . . 6300 1 593 . 1 1 56 56 LEU N N 15 125.6 . . 1 . . . . . . . . . 6300 1 594 . 1 1 56 56 LEU H H 1 8.95 . . 1 . . . . . . . . . 6300 1 595 . 1 1 56 56 LEU CA C 13 55.0 . . 1 . . . . . . . . . 6300 1 596 . 1 1 56 56 LEU HA H 1 4.83 . . 1 . . . . . . . . . 6300 1 597 . 1 1 56 56 LEU CB C 13 43.4 . . 1 . . . . . . . . . 6300 1 598 . 1 1 56 56 LEU HB2 H 1 1.32 . . 2 . . . . . . . . . 6300 1 599 . 1 1 56 56 LEU HB3 H 1 1.94 . . 2 . . . . . . . . . 6300 1 600 . 1 1 56 56 LEU CG C 13 28.1 . . 1 . . . . . . . . . 6300 1 601 . 1 1 56 56 LEU HG H 1 1.48 . . 1 . . . . . . . . . 6300 1 602 . 1 1 56 56 LEU HD11 H 1 0.84 . . 2 . . . . . . . . . 6300 1 603 . 1 1 56 56 LEU HD12 H 1 0.84 . . 2 . . . . . . . . . 6300 1 604 . 1 1 56 56 LEU HD13 H 1 0.84 . . 2 . . . . . . . . . 6300 1 605 . 1 1 56 56 LEU HD21 H 1 0.91 . . 2 . . . . . . . . . 6300 1 606 . 1 1 56 56 LEU HD22 H 1 0.91 . . 2 . . . . . . . . . 6300 1 607 . 1 1 56 56 LEU HD23 H 1 0.91 . . 2 . . . . . . . . . 6300 1 608 . 1 1 56 56 LEU CD1 C 13 25.7 . . 1 . . . . . . . . . 6300 1 609 . 1 1 56 56 LEU CD2 C 13 22.9 . . 1 . . . . . . . . . 6300 1 610 . 1 1 56 56 LEU C C 13 175.6 . . 1 . . . . . . . . . 6300 1 611 . 1 1 57 57 VAL N N 15 120.2 . . 1 . . . . . . . . . 6300 1 612 . 1 1 57 57 VAL H H 1 8.99 . . 1 . . . . . . . . . 6300 1 613 . 1 1 57 57 VAL CA C 13 58.1 . . 1 . . . . . . . . . 6300 1 614 . 1 1 57 57 VAL HA H 1 5.63 . . 1 . . . . . . . . . 6300 1 615 . 1 1 57 57 VAL CB C 13 36.4 . . 1 . . . . . . . . . 6300 1 616 . 1 1 57 57 VAL HB H 1 2.05 . . 1 . . . . . . . . . 6300 1 617 . 1 1 57 57 VAL HG11 H 1 0.82 . . 2 . . . . . . . . . 6300 1 618 . 1 1 57 57 VAL HG12 H 1 0.82 . . 2 . . . . . . . . . 6300 1 619 . 1 1 57 57 VAL HG13 H 1 0.82 . . 2 . . . . . . . . . 6300 1 620 . 1 1 57 57 VAL HG21 H 1 0.86 . . 2 . . . . . . . . . 6300 1 621 . 1 1 57 57 VAL HG22 H 1 0.86 . . 2 . . . . . . . . . 6300 1 622 . 1 1 57 57 VAL HG23 H 1 0.86 . . 2 . . . . . . . . . 6300 1 623 . 1 1 57 57 VAL CG1 C 13 22.4 . . 1 . . . . . . . . . 6300 1 624 . 1 1 57 57 VAL CG2 C 13 19.3 . . 1 . . . . . . . . . 6300 1 625 . 1 1 57 57 VAL C C 13 172.9 . . 1 . . . . . . . . . 6300 1 626 . 1 1 58 58 ARG N N 15 118.9 . . 1 . . . . . . . . . 6300 1 627 . 1 1 58 58 ARG H H 1 8.92 . . 1 . . . . . . . . . 6300 1 628 . 1 1 58 58 ARG CA C 13 53.2 . . 1 . . . . . . . . . 6300 1 629 . 1 1 58 58 ARG HA H 1 5.59 . . 1 . . . . . . . . . 6300 1 630 . 1 1 58 58 ARG CB C 13 36.1 . . 1 . . . . . . . . . 6300 1 631 . 1 1 58 58 ARG HB2 H 1 1.83 . . 2 . . . . . . . . . 6300 1 632 . 1 1 58 58 ARG CG C 13 26.8 . . 1 . . . . . . . . . 6300 1 633 . 1 1 58 58 ARG HG2 H 1 1.70 . . 2 . . . . . . . . . 6300 1 634 . 1 1 58 58 ARG HG3 H 1 1.88 . . 2 . . . . . . . . . 6300 1 635 . 1 1 58 58 ARG CD C 13 44.2 . . 1 . . . . . . . . . 6300 1 636 . 1 1 58 58 ARG HD2 H 1 3.30 . . 2 . . . . . . . . . 6300 1 637 . 1 1 58 58 ARG NE N 15 110.0 . . 1 . . . . . . . . . 6300 1 638 . 1 1 58 58 ARG HE H 1 7.35 . . 1 . . . . . . . . . 6300 1 639 . 1 1 58 58 ARG HH11 H 1 6.93 . . 1 . . . . . . . . . 6300 1 640 . 1 1 58 58 ARG HH12 H 1 6.93 . . 1 . . . . . . . . . 6300 1 641 . 1 1 58 58 ARG HH21 H 1 6.63 . . 1 . . . . . . . . . 6300 1 642 . 1 1 58 58 ARG HH22 H 1 6.63 . . 1 . . . . . . . . . 6300 1 643 . 1 1 58 58 ARG C C 13 176.0 . . 1 . . . . . . . . . 6300 1 644 . 1 1 59 59 THR N N 15 114.6 . . 1 . . . . . . . . . 6300 1 645 . 1 1 59 59 THR H H 1 8.79 . . 1 . . . . . . . . . 6300 1 646 . 1 1 59 59 THR CA C 13 62.7 . . 1 . . . . . . . . . 6300 1 647 . 1 1 59 59 THR HA H 1 4.54 . . 1 . . . . . . . . . 6300 1 648 . 1 1 59 59 THR CB C 13 71.1 . . 1 . . . . . . . . . 6300 1 649 . 1 1 59 59 THR HB H 1 4.67 . . 1 . . . . . . . . . 6300 1 650 . 1 1 59 59 THR HG21 H 1 1.40 . . 1 . . . . . . . . . 6300 1 651 . 1 1 59 59 THR HG22 H 1 1.40 . . 1 . . . . . . . . . 6300 1 652 . 1 1 59 59 THR HG23 H 1 1.40 . . 1 . . . . . . . . . 6300 1 653 . 1 1 59 59 THR CG2 C 13 22.3 . . 1 . . . . . . . . . 6300 1 654 . 1 1 59 59 THR C C 13 174.4 . . 1 . . . . . . . . . 6300 1 655 . 1 1 60 60 THR N N 15 106.6 . . 1 . . . . . . . . . 6300 1 656 . 1 1 60 60 THR H H 1 8.55 . . 1 . . . . . . . . . 6300 1 657 . 1 1 60 60 THR CA C 13 61.3 . . 1 . . . . . . . . . 6300 1 658 . 1 1 60 60 THR HA H 1 4.67 . . 1 . . . . . . . . . 6300 1 659 . 1 1 60 60 THR CB C 13 70.8 . . 1 . . . . . . . . . 6300 1 660 . 1 1 60 60 THR HB H 1 4.29 . . 1 . . . . . . . . . 6300 1 661 . 1 1 60 60 THR HG21 H 1 1.18 . . 1 . . . . . . . . . 6300 1 662 . 1 1 60 60 THR HG22 H 1 1.18 . . 1 . . . . . . . . . 6300 1 663 . 1 1 60 60 THR HG23 H 1 1.18 . . 1 . . . . . . . . . 6300 1 664 . 1 1 60 60 THR CG2 C 13 21.6 . . 1 . . . . . . . . . 6300 1 665 . 1 1 60 60 THR C C 13 173.8 . . 1 . . . . . . . . . 6300 1 666 . 1 1 61 61 GLU N N 15 119.2 . . 1 . . . . . . . . . 6300 1 667 . 1 1 61 61 GLU H H 1 8.58 . . 1 . . . . . . . . . 6300 1 668 . 1 1 61 61 GLU CA C 13 57.4 . . 1 . . . . . . . . . 6300 1 669 . 1 1 61 61 GLU HA H 1 4.32 . . 1 . . . . . . . . . 6300 1 670 . 1 1 61 61 GLU CB C 13 29.4 . . 1 . . . . . . . . . 6300 1 671 . 1 1 61 61 GLU HB2 H 1 2.22 . . 2 . . . . . . . . . 6300 1 672 . 1 1 61 61 GLU HB3 H 1 2.26 . . 2 . . . . . . . . . 6300 1 673 . 1 1 61 61 GLU CG C 13 36.5 . . 1 . . . . . . . . . 6300 1 674 . 1 1 61 61 GLU HG2 H 1 2.40 . . 2 . . . . . . . . . 6300 1 675 . 1 1 61 61 GLU C C 13 175.6 . . 1 . . . . . . . . . 6300 1 676 . 1 1 62 62 ARG N N 15 118.2 . . 1 . . . . . . . . . 6300 1 677 . 1 1 62 62 ARG H H 1 7.73 . . 1 . . . . . . . . . 6300 1 678 . 1 1 62 62 ARG CA C 13 55.1 . . 1 . . . . . . . . . 6300 1 679 . 1 1 62 62 ARG HA H 1 4.60 . . 1 . . . . . . . . . 6300 1 680 . 1 1 62 62 ARG CB C 13 32.7 . . 1 . . . . . . . . . 6300 1 681 . 1 1 62 62 ARG HB2 H 1 1.83 . . 2 . . . . . . . . . 6300 1 682 . 1 1 62 62 ARG HB3 H 1 1.77 . . 2 . . . . . . . . . 6300 1 683 . 1 1 62 62 ARG CG C 13 26.3 . . 1 . . . . . . . . . 6300 1 684 . 1 1 62 62 ARG HG2 H 1 1.71 . . 2 . . . . . . . . . 6300 1 685 . 1 1 62 62 ARG CD C 13 43.6 . . 1 . . . . . . . . . 6300 1 686 . 1 1 62 62 ARG HD2 H 1 3.20 . . 2 . . . . . . . . . 6300 1 687 . 1 1 62 62 ARG HD3 H 1 3.24 . . 2 . . . . . . . . . 6300 1 688 . 1 1 62 62 ARG C C 13 175.6 . . 1 . . . . . . . . . 6300 1 689 . 1 1 63 63 SER N N 15 118.8 . . 1 . . . . . . . . . 6300 1 690 . 1 1 63 63 SER H H 1 8.67 . . 1 . . . . . . . . . 6300 1 691 . 1 1 63 63 SER CA C 13 54.5 . . 1 . . . . . . . . . 6300 1 692 . 1 1 63 63 SER HA H 1 4.70 . . 1 . . . . . . . . . 6300 1 693 . 1 1 63 63 SER CB C 13 64.6 . . 1 . . . . . . . . . 6300 1 694 . 1 1 63 63 SER HB2 H 1 3.64 . . 2 . . . . . . . . . 6300 1 695 . 1 1 63 63 SER HB3 H 1 3.78 . . 2 . . . . . . . . . 6300 1 696 . 1 1 64 64 PRO CD C 13 50.6 . . 1 . . . . . . . . . 6300 1 697 . 1 1 64 64 PRO CA C 13 61.8 . . 1 . . . . . . . . . 6300 1 698 . 1 1 64 64 PRO HA H 1 5.14 . . 1 . . . . . . . . . 6300 1 699 . 1 1 64 64 PRO CB C 13 33.1 . . 1 . . . . . . . . . 6300 1 700 . 1 1 64 64 PRO HB2 H 1 2.49 . . 2 . . . . . . . . . 6300 1 701 . 1 1 64 64 PRO HB3 H 1 2.12 . . 2 . . . . . . . . . 6300 1 702 . 1 1 64 64 PRO CG C 13 25.2 . . 1 . . . . . . . . . 6300 1 703 . 1 1 64 64 PRO HG2 H 1 2.01 . . 2 . . . . . . . . . 6300 1 704 . 1 1 64 64 PRO HG3 H 1 1.88 . . 2 . . . . . . . . . 6300 1 705 . 1 1 64 64 PRO HD2 H 1 3.63 . . 2 . . . . . . . . . 6300 1 706 . 1 1 64 64 PRO HD3 H 1 3.53 . . 2 . . . . . . . . . 6300 1 707 . 1 1 65 65 PRO CD C 13 50.3 . . 1 . . . . . . . . . 6300 1 708 . 1 1 65 65 PRO CA C 13 62.7 . . 1 . . . . . . . . . 6300 1 709 . 1 1 65 65 PRO HA H 1 4.33 . . 1 . . . . . . . . . 6300 1 710 . 1 1 65 65 PRO CB C 13 32.3 . . 1 . . . . . . . . . 6300 1 711 . 1 1 65 65 PRO HB2 H 1 2.35 . . 2 . . . . . . . . . 6300 1 712 . 1 1 65 65 PRO HB3 H 1 2.11 . . 2 . . . . . . . . . 6300 1 713 . 1 1 65 65 PRO CG C 13 27.6 . . 1 . . . . . . . . . 6300 1 714 . 1 1 65 65 PRO HG2 H 1 2.15 . . 2 . . . . . . . . . 6300 1 715 . 1 1 65 65 PRO HG3 H 1 2.04 . . 2 . . . . . . . . . 6300 1 716 . 1 1 65 65 PRO HD2 H 1 3.96 . . 2 . . . . . . . . . 6300 1 717 . 1 1 65 65 PRO HD3 H 1 3.67 . . 2 . . . . . . . . . 6300 1 718 . 1 1 65 65 PRO C C 13 176.3 . . 1 . . . . . . . . . 6300 1 719 . 1 1 66 66 GLN N N 15 119.7 . . 1 . . . . . . . . . 6300 1 720 . 1 1 66 66 GLN H H 1 8.42 . . 1 . . . . . . . . . 6300 1 721 . 1 1 66 66 GLN CA C 13 54.6 . . 1 . . . . . . . . . 6300 1 722 . 1 1 66 66 GLN HA H 1 4.75 . . 1 . . . . . . . . . 6300 1 723 . 1 1 66 66 GLN CB C 13 33.1 . . 1 . . . . . . . . . 6300 1 724 . 1 1 66 66 GLN HB2 H 1 2.10 . . 2 . . . . . . . . . 6300 1 725 . 1 1 66 66 GLN HB3 H 1 1.88 . . 2 . . . . . . . . . 6300 1 726 . 1 1 66 66 GLN CG C 13 33.7 . . 1 . . . . . . . . . 6300 1 727 . 1 1 66 66 GLN HG2 H 1 2.37 . . 2 . . . . . . . . . 6300 1 728 . 1 1 66 66 GLN HG3 H 1 2.10 . . 2 . . . . . . . . . 6300 1 729 . 1 1 66 66 GLN NE2 N 15 112.0 . . 1 . . . . . . . . . 6300 1 730 . 1 1 66 66 GLN HE21 H 1 7.58 . . 2 . . . . . . . . . 6300 1 731 . 1 1 66 66 GLN HE22 H 1 6.82 . . 2 . . . . . . . . . 6300 1 732 . 1 1 66 66 GLN C C 13 173.8 . . 1 . . . . . . . . . 6300 1 733 . 1 1 67 67 GLU N N 15 118.8 . . 1 . . . . . . . . . 6300 1 734 . 1 1 67 67 GLU H H 1 8.49 . . 1 . . . . . . . . . 6300 1 735 . 1 1 67 67 GLU CA C 13 54.0 . . 1 . . . . . . . . . 6300 1 736 . 1 1 67 67 GLU HA H 1 5.80 . . 1 . . . . . . . . . 6300 1 737 . 1 1 67 67 GLU CB C 13 34.2 . . 1 . . . . . . . . . 6300 1 738 . 1 1 67 67 GLU HB2 H 1 1.96 . . 2 . . . . . . . . . 6300 1 739 . 1 1 67 67 GLU HB3 H 1 2.13 . . 2 . . . . . . . . . 6300 1 740 . 1 1 67 67 GLU CG C 13 35.8 . . 1 . . . . . . . . . 6300 1 741 . 1 1 67 67 GLU HG2 H 1 2.16 . . 2 . . . . . . . . . 6300 1 742 . 1 1 67 67 GLU HG3 H 1 2.10 . . 2 . . . . . . . . . 6300 1 743 . 1 1 67 67 GLU C C 13 176.0 . . 1 . . . . . . . . . 6300 1 744 . 1 1 68 68 GLY N N 15 107.3 . . 1 . . . . . . . . . 6300 1 745 . 1 1 68 68 GLY H H 1 8.89 . . 1 . . . . . . . . . 6300 1 746 . 1 1 68 68 GLY CA C 13 45.5 . . 1 . . . . . . . . . 6300 1 747 . 1 1 68 68 GLY HA2 H 1 3.95 . . 2 . . . . . . . . . 6300 1 748 . 1 1 68 68 GLY HA3 H 1 4.06 . . 2 . . . . . . . . . 6300 1 749 . 1 1 68 68 GLY C C 13 170.8 . . 1 . . . . . . . . . 6300 1 750 . 1 1 69 69 LEU N N 15 114.9 . . 1 . . . . . . . . . 6300 1 751 . 1 1 69 69 LEU H H 1 9.03 . . 1 . . . . . . . . . 6300 1 752 . 1 1 69 69 LEU CA C 13 54.9 . . 1 . . . . . . . . . 6300 1 753 . 1 1 69 69 LEU HA H 1 5.50 . . 1 . . . . . . . . . 6300 1 754 . 1 1 69 69 LEU CB C 13 45.5 . . 1 . . . . . . . . . 6300 1 755 . 1 1 69 69 LEU HB2 H 1 1.77 . . 2 . . . . . . . . . 6300 1 756 . 1 1 69 69 LEU HB3 H 1 1.61 . . 2 . . . . . . . . . 6300 1 757 . 1 1 69 69 LEU CG C 13 26.2 . . 1 . . . . . . . . . 6300 1 758 . 1 1 69 69 LEU HG H 1 1.69 . . 1 . . . . . . . . . 6300 1 759 . 1 1 69 69 LEU HD11 H 1 0.84 . . 2 . . . . . . . . . 6300 1 760 . 1 1 69 69 LEU HD12 H 1 0.84 . . 2 . . . . . . . . . 6300 1 761 . 1 1 69 69 LEU HD13 H 1 0.84 . . 2 . . . . . . . . . 6300 1 762 . 1 1 69 69 LEU CD1 C 13 23.5 . . 1 . . . . . . . . . 6300 1 763 . 1 1 69 69 LEU C C 13 177.7 . . 1 . . . . . . . . . 6300 1 764 . 1 1 70 70 VAL N N 15 112.2 . . 1 . . . . . . . . . 6300 1 765 . 1 1 70 70 VAL H H 1 9.13 . . 1 . . . . . . . . . 6300 1 766 . 1 1 70 70 VAL CA C 13 59.8 . . 1 . . . . . . . . . 6300 1 767 . 1 1 70 70 VAL HA H 1 4.89 . . 1 . . . . . . . . . 6300 1 768 . 1 1 70 70 VAL CB C 13 33.7 . . 1 . . . . . . . . . 6300 1 769 . 1 1 70 70 VAL HB H 1 1.92 . . 1 . . . . . . . . . 6300 1 770 . 1 1 70 70 VAL HG11 H 1 0.98 . . 2 . . . . . . . . . 6300 1 771 . 1 1 70 70 VAL HG12 H 1 0.98 . . 2 . . . . . . . . . 6300 1 772 . 1 1 70 70 VAL HG13 H 1 0.98 . . 2 . . . . . . . . . 6300 1 773 . 1 1 70 70 VAL HG21 H 1 0.91 . . 2 . . . . . . . . . 6300 1 774 . 1 1 70 70 VAL HG22 H 1 0.91 . . 2 . . . . . . . . . 6300 1 775 . 1 1 70 70 VAL HG23 H 1 0.91 . . 2 . . . . . . . . . 6300 1 776 . 1 1 70 70 VAL CG1 C 13 19.6 . . 1 . . . . . . . . . 6300 1 777 . 1 1 71 71 PRO CD C 13 50.7 . . 1 . . . . . . . . . 6300 1 778 . 1 1 71 71 PRO CA C 13 63.0 . . 1 . . . . . . . . . 6300 1 779 . 1 1 71 71 PRO HA H 1 4.48 . . 1 . . . . . . . . . 6300 1 780 . 1 1 71 71 PRO CB C 13 32.3 . . 1 . . . . . . . . . 6300 1 781 . 1 1 71 71 PRO HB2 H 1 2.35 . . 2 . . . . . . . . . 6300 1 782 . 1 1 71 71 PRO HB3 H 1 1.99 . . 2 . . . . . . . . . 6300 1 783 . 1 1 71 71 PRO CG C 13 27.3 . . 1 . . . . . . . . . 6300 1 784 . 1 1 71 71 PRO HG2 H 1 2.10 . . 2 . . . . . . . . . 6300 1 785 . 1 1 71 71 PRO HD2 H 1 3.93 . . 2 . . . . . . . . . 6300 1 786 . 1 1 71 71 PRO HD3 H 1 3.64 . . 2 . . . . . . . . . 6300 1 787 . 1 1 71 71 PRO C C 13 179.5 . . 1 . . . . . . . . . 6300 1 788 . 1 1 72 72 SER N N 15 123.7 . . 1 . . . . . . . . . 6300 1 789 . 1 1 72 72 SER H H 1 9.05 . . 1 . . . . . . . . . 6300 1 790 . 1 1 72 72 SER CA C 13 60.1 . . 1 . . . . . . . . . 6300 1 791 . 1 1 72 72 SER HA H 1 4.24 . . 1 . . . . . . . . . 6300 1 792 . 1 1 72 72 SER CB C 13 62.4 . . 1 . . . . . . . . . 6300 1 793 . 1 1 72 72 SER HB2 H 1 3.85 . . 2 . . . . . . . . . 6300 1 794 . 1 1 72 72 SER HB3 H 1 3.86 . . 2 . . . . . . . . . 6300 1 795 . 1 1 72 72 SER C C 13 176.1 . . 1 . . . . . . . . . 6300 1 796 . 1 1 73 73 SER N N 15 113.2 . . 1 . . . . . . . . . 6300 1 797 . 1 1 73 73 SER H H 1 7.91 . . 1 . . . . . . . . . 6300 1 798 . 1 1 73 73 SER CA C 13 60.1 . . 1 . . . . . . . . . 6300 1 799 . 1 1 73 73 SER HA H 1 4.14 . . 1 . . . . . . . . . 6300 1 800 . 1 1 73 73 SER CB C 13 62.7 . . 1 . . . . . . . . . 6300 1 801 . 1 1 73 73 SER HB2 H 1 3.75 . . 2 . . . . . . . . . 6300 1 802 . 1 1 73 73 SER C C 13 175.3 . . 1 . . . . . . . . . 6300 1 803 . 1 1 74 74 THR N N 15 110.7 . . 1 . . . . . . . . . 6300 1 804 . 1 1 74 74 THR H H 1 7.39 . . 1 . . . . . . . . . 6300 1 805 . 1 1 74 74 THR CA C 13 63.4 . . 1 . . . . . . . . . 6300 1 806 . 1 1 74 74 THR HA H 1 4.12 . . 1 . . . . . . . . . 6300 1 807 . 1 1 74 74 THR CB C 13 69.2 . . 1 . . . . . . . . . 6300 1 808 . 1 1 74 74 THR HB H 1 4.60 . . 1 . . . . . . . . . 6300 1 809 . 1 1 74 74 THR HG21 H 1 1.00 . . 1 . . . . . . . . . 6300 1 810 . 1 1 74 74 THR HG22 H 1 1.00 . . 1 . . . . . . . . . 6300 1 811 . 1 1 74 74 THR HG23 H 1 1.00 . . 1 . . . . . . . . . 6300 1 812 . 1 1 74 74 THR CG2 C 13 22.7 . . 1 . . . . . . . . . 6300 1 813 . 1 1 74 74 THR C C 13 173.7 . . 1 . . . . . . . . . 6300 1 814 . 1 1 75 75 LEU N N 15 119.6 . . 1 . . . . . . . . . 6300 1 815 . 1 1 75 75 LEU H H 1 7.33 . . 1 . . . . . . . . . 6300 1 816 . 1 1 75 75 LEU CA C 13 53.4 . . 1 . . . . . . . . . 6300 1 817 . 1 1 75 75 LEU HA H 1 4.96 . . 1 . . . . . . . . . 6300 1 818 . 1 1 75 75 LEU CB C 13 44.5 . . 1 . . . . . . . . . 6300 1 819 . 1 1 75 75 LEU HB2 H 1 1.81 . . 2 . . . . . . . . . 6300 1 820 . 1 1 75 75 LEU HB3 H 1 1.32 . . 2 . . . . . . . . . 6300 1 821 . 1 1 75 75 LEU CG C 13 23.6 . . 1 . . . . . . . . . 6300 1 822 . 1 1 75 75 LEU HG H 1 0.61 . . 1 . . . . . . . . . 6300 1 823 . 1 1 75 75 LEU HD11 H 1 0.67 . . 2 . . . . . . . . . 6300 1 824 . 1 1 75 75 LEU HD12 H 1 0.67 . . 2 . . . . . . . . . 6300 1 825 . 1 1 75 75 LEU HD13 H 1 0.67 . . 2 . . . . . . . . . 6300 1 826 . 1 1 75 75 LEU CD1 C 13 25.8 . . 1 . . . . . . . . . 6300 1 827 . 1 1 75 75 LEU C C 13 176.7 . . 1 . . . . . . . . . 6300 1 828 . 1 1 76 76 CYS N N 15 121.1 . . 1 . . . . . . . . . 6300 1 829 . 1 1 76 76 CYS H H 1 8.50 . . 1 . . . . . . . . . 6300 1 830 . 1 1 76 76 CYS CA C 13 59.8 . . 1 . . . . . . . . . 6300 1 831 . 1 1 76 76 CYS HA H 1 4.42 . . 1 . . . . . . . . . 6300 1 832 . 1 1 76 76 CYS CB C 13 26.5 . . 1 . . . . . . . . . 6300 1 833 . 1 1 76 76 CYS HB2 H 1 3.06 . . 2 . . . . . . . . . 6300 1 834 . 1 1 76 76 CYS HB3 H 1 2.78 . . 2 . . . . . . . . . 6300 1 835 . 1 1 76 76 CYS C C 13 174.9 . . 1 . . . . . . . . . 6300 1 836 . 1 1 77 77 ILE N N 15 123.3 . . 1 . . . . . . . . . 6300 1 837 . 1 1 77 77 ILE H H 1 7.92 . . 1 . . . . . . . . . 6300 1 838 . 1 1 77 77 ILE CA C 13 61.4 . . 1 . . . . . . . . . 6300 1 839 . 1 1 77 77 ILE HA H 1 4.26 . . 1 . . . . . . . . . 6300 1 840 . 1 1 77 77 ILE CB C 13 38.9 . . 1 . . . . . . . . . 6300 1 841 . 1 1 77 77 ILE HB H 1 1.84 . . 1 . . . . . . . . . 6300 1 842 . 1 1 77 77 ILE HG21 H 1 0.85 . . 1 . . . . . . . . . 6300 1 843 . 1 1 77 77 ILE HG22 H 1 0.85 . . 1 . . . . . . . . . 6300 1 844 . 1 1 77 77 ILE HG23 H 1 0.85 . . 1 . . . . . . . . . 6300 1 845 . 1 1 77 77 ILE CG2 C 13 17.7 . . 1 . . . . . . . . . 6300 1 846 . 1 1 77 77 ILE CG1 C 13 27.3 . . 1 . . . . . . . . . 6300 1 847 . 1 1 77 77 ILE HG12 H 1 1.39 . . 2 . . . . . . . . . 6300 1 848 . 1 1 77 77 ILE HG13 H 1 1.10 . . 2 . . . . . . . . . 6300 1 849 . 1 1 77 77 ILE HD11 H 1 0.84 . . 1 . . . . . . . . . 6300 1 850 . 1 1 77 77 ILE HD12 H 1 0.84 . . 1 . . . . . . . . . 6300 1 851 . 1 1 77 77 ILE HD13 H 1 0.84 . . 1 . . . . . . . . . 6300 1 852 . 1 1 77 77 ILE CD1 C 13 13.6 . . 1 . . . . . . . . . 6300 1 853 . 1 1 77 77 ILE C C 13 175.9 . . 1 . . . . . . . . . 6300 1 854 . 1 1 78 78 SER N N 15 119.2 . . 1 . . . . . . . . . 6300 1 855 . 1 1 78 78 SER H H 1 8.24 . . 1 . . . . . . . . . 6300 1 856 . 1 1 78 78 SER CA C 13 58.4 . . 1 . . . . . . . . . 6300 1 857 . 1 1 78 78 SER HA H 1 4.40 . . 1 . . . . . . . . . 6300 1 858 . 1 1 78 78 SER CB C 13 63.5 . . 1 . . . . . . . . . 6300 1 859 . 1 1 78 78 SER HB2 H 1 3.80 . . 2 . . . . . . . . . 6300 1 860 . 1 1 78 78 SER C C 13 174.4 . . 1 . . . . . . . . . 6300 1 861 . 1 1 79 79 HIS N N 15 121.3 . . 1 . . . . . . . . . 6300 1 862 . 1 1 79 79 HIS H H 1 8.26 . . 1 . . . . . . . . . 6300 1 863 . 1 1 79 79 HIS CA C 13 55.6 . . 1 . . . . . . . . . 6300 1 864 . 1 1 79 79 HIS HA H 1 4.73 . . 1 . . . . . . . . . 6300 1 865 . 1 1 79 79 HIS CB C 13 30.9 . . 1 . . . . . . . . . 6300 1 866 . 1 1 79 79 HIS HB2 H 1 3.25 . . 2 . . . . . . . . . 6300 1 867 . 1 1 79 79 HIS HB3 H 1 3.12 . . 2 . . . . . . . . . 6300 1 868 . 1 1 79 79 HIS HD2 H 1 7.33 . . 1 . . . . . . . . . 6300 1 869 . 1 1 79 79 HIS C C 13 174.7 . . 1 . . . . . . . . . 6300 1 870 . 1 1 80 80 SER N N 15 116.4 . . 1 . . . . . . . . . 6300 1 871 . 1 1 80 80 SER H H 1 8.28 . . 1 . . . . . . . . . 6300 1 872 . 1 1 80 80 SER CA C 13 58.5 . . 1 . . . . . . . . . 6300 1 873 . 1 1 80 80 SER HA H 1 4.49 . . 1 . . . . . . . . . 6300 1 874 . 1 1 80 80 SER CB C 13 64.1 . . 1 . . . . . . . . . 6300 1 875 . 1 1 80 80 SER HB2 H 1 3.90 . . 2 . . . . . . . . . 6300 1 876 . 1 1 80 80 SER C C 13 174.3 . . 1 . . . . . . . . . 6300 1 877 . 1 1 81 81 ARG N N 15 123.7 . . 1 . . . . . . . . . 6300 1 878 . 1 1 81 81 ARG H H 1 8.51 . . 1 . . . . . . . . . 6300 1 879 . 1 1 81 81 ARG CA C 13 56.2 . . 1 . . . . . . . . . 6300 1 880 . 1 1 81 81 ARG HA H 1 4.47 . . 1 . . . . . . . . . 6300 1 881 . 1 1 81 81 ARG CB C 13 31.1 . . 1 . . . . . . . . . 6300 1 882 . 1 1 81 81 ARG HB2 H 1 1.96 . . 2 . . . . . . . . . 6300 1 883 . 1 1 81 81 ARG HB3 H 1 1.79 . . 2 . . . . . . . . . 6300 1 884 . 1 1 81 81 ARG CG C 13 26.6 . . 1 . . . . . . . . . 6300 1 885 . 1 1 81 81 ARG HG2 H 1 1.69 . . 2 . . . . . . . . . 6300 1 886 . 1 1 81 81 ARG CD C 13 43.5 . . 1 . . . . . . . . . 6300 1 887 . 1 1 81 81 ARG HD2 H 1 3.23 . . 2 . . . . . . . . . 6300 1 888 . 1 1 81 81 ARG C C 13 175.5 . . 1 . . . . . . . . . 6300 1 889 . 1 1 82 82 SER N N 15 122.7 . . 1 . . . . . . . . . 6300 1 890 . 1 1 82 82 SER H H 1 7.99 . . 1 . . . . . . . . . 6300 1 891 . 1 1 82 82 SER CA C 13 59.6 . . 1 . . . . . . . . . 6300 1 892 . 1 1 82 82 SER HA H 1 4.48 . . 1 . . . . . . . . . 6300 1 893 . 1 1 82 82 SER CB C 13 64.1 . . 1 . . . . . . . . . 6300 1 894 . 1 1 82 82 SER HB2 H 1 4.07 . . 2 . . . . . . . . . 6300 1 stop_ save_