data_51342 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51342 _Entry.Title ; SH2 domain from mouse SH2B1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-01 _Entry.Accession_date 2022-03-01 _Entry.Last_release_date 2022-03-01 _Entry.Original_release_date 2022-03-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 'SH2 domain from mouse SH2B1' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nicholas Fowler . J. . 0000-0002-6005-935X 51342 2 Marym Albalwi . F. . . 51342 3 Subin Lee . . . . 51342 4 Andrea Hounslow . M. . . 51342 5 Mike Williamson . P. . 0000-0001-5572-1903 51342 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Sheffield' . 51342 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51342 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 541 51342 '15N chemical shifts' 140 51342 '1H chemical shifts' 843 51342 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 2 . . 2023-08-18 2022-03-01 update BMRB 'update entry citation' 51342 1 . . 2023-05-19 2022-03-01 original author 'original release' 51342 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51342 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37311460 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Improved methodology for protein NMR structure calculation using hydrogen bond restraints and ANSURR validation: The SH2 domain of SH2B1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 31 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 975 _Citation.Page_last 986 _Citation.Year 2023 _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 Nicholas Fowler . J. . . 51342 1 2 Marym Albalwi . F. . . 51342 1 3 Subin Lee . . . . 51342 1 4 Andrea Hounslow . M. . . 51342 1 5 Mike Williamson . P. . . 51342 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'SH2B1, ANSURR, hydrogen bond' 51342 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51342 _Assembly.ID 1 _Assembly.Name SH2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13663 _Assembly.Enzyme_commission_number . _Assembly.Details 'SH2 domain' _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 'SH2 domain' 1 $entity_1 . . yes native no no 1 . . 51342 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51342 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKIHHHHHHDQPLSGYPWFH GMLSRLKAAQLVLEGGTGSH GVFLVRQSETRRGEYVLTFN FQGKAKHLRLSLNEEGQCRV QHLWFQSIFDMLEHFRVHPI PLESGGSSDVVLVSYVPSQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This sequence corresponds to residues 519-628 from mouse SH2B1 (Uniprot Q91ZM2) with the addition of a 9-residue His tag at the N terminus. Thus the first included residue of the mouse sequence (D519) is Asp-10. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment SH2 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13664 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 UNP Q91ZM2 . SH2B1_mouse . . . . . . . . . . . . . . 51342 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Binds to phosphotyrosine, eg in the JAK2 kinase' 51342 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 . MET . 51342 1 2 . LYS . 51342 1 3 . ILE . 51342 1 4 . HIS . 51342 1 5 . HIS . 51342 1 6 . HIS . 51342 1 7 . HIS . 51342 1 8 . HIS . 51342 1 9 . HIS . 51342 1 10 . ASP . 51342 1 11 . GLN . 51342 1 12 . PRO . 51342 1 13 . LEU . 51342 1 14 . SER . 51342 1 15 . GLY . 51342 1 16 . TYR . 51342 1 17 . PRO . 51342 1 18 . TRP . 51342 1 19 . PHE . 51342 1 20 . HIS . 51342 1 21 . GLY . 51342 1 22 . MET . 51342 1 23 . LEU . 51342 1 24 . SER . 51342 1 25 . ARG . 51342 1 26 . LEU . 51342 1 27 . LYS . 51342 1 28 . ALA . 51342 1 29 . ALA . 51342 1 30 . GLN . 51342 1 31 . LEU . 51342 1 32 . VAL . 51342 1 33 . LEU . 51342 1 34 . GLU . 51342 1 35 . GLY . 51342 1 36 . GLY . 51342 1 37 . THR . 51342 1 38 . GLY . 51342 1 39 . SER . 51342 1 40 . HIS . 51342 1 41 . GLY . 51342 1 42 . VAL . 51342 1 43 . PHE . 51342 1 44 . LEU . 51342 1 45 . VAL . 51342 1 46 . ARG . 51342 1 47 . GLN . 51342 1 48 . SER . 51342 1 49 . GLU . 51342 1 50 . THR . 51342 1 51 . ARG . 51342 1 52 . ARG . 51342 1 53 . GLY . 51342 1 54 . GLU . 51342 1 55 . TYR . 51342 1 56 . VAL . 51342 1 57 . LEU . 51342 1 58 . THR . 51342 1 59 . PHE . 51342 1 60 . ASN . 51342 1 61 . PHE . 51342 1 62 . GLN . 51342 1 63 . GLY . 51342 1 64 . LYS . 51342 1 65 . ALA . 51342 1 66 . LYS . 51342 1 67 . HIS . 51342 1 68 . LEU . 51342 1 69 . ARG . 51342 1 70 . LEU . 51342 1 71 . SER . 51342 1 72 . LEU . 51342 1 73 . ASN . 51342 1 74 . GLU . 51342 1 75 . GLU . 51342 1 76 . GLY . 51342 1 77 . GLN . 51342 1 78 . CYS . 51342 1 79 . ARG . 51342 1 80 . VAL . 51342 1 81 . GLN . 51342 1 82 . HIS . 51342 1 83 . LEU . 51342 1 84 . TRP . 51342 1 85 . PHE . 51342 1 86 . GLN . 51342 1 87 . SER . 51342 1 88 . ILE . 51342 1 89 . PHE . 51342 1 90 . ASP . 51342 1 91 . MET . 51342 1 92 . LEU . 51342 1 93 . GLU . 51342 1 94 . HIS . 51342 1 95 . PHE . 51342 1 96 . ARG . 51342 1 97 . VAL . 51342 1 98 . HIS . 51342 1 99 . PRO . 51342 1 100 . ILE . 51342 1 101 . PRO . 51342 1 102 . LEU . 51342 1 103 . GLU . 51342 1 104 . SER . 51342 1 105 . GLY . 51342 1 106 . GLY . 51342 1 107 . SER . 51342 1 108 . SER . 51342 1 109 . ASP . 51342 1 110 . VAL . 51342 1 111 . VAL . 51342 1 112 . LEU . 51342 1 113 . VAL . 51342 1 114 . SER . 51342 1 115 . TYR . 51342 1 116 . VAL . 51342 1 117 . PRO . 51342 1 118 . SER . 51342 1 119 . GLN . 51342 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 51342 1 . LYS 2 2 51342 1 . ILE 3 3 51342 1 . HIS 4 4 51342 1 . HIS 5 5 51342 1 . HIS 6 6 51342 1 . HIS 7 7 51342 1 . HIS 8 8 51342 1 . HIS 9 9 51342 1 . ASP 10 10 51342 1 . GLN 11 11 51342 1 . PRO 12 12 51342 1 . LEU 13 13 51342 1 . SER 14 14 51342 1 . GLY 15 15 51342 1 . TYR 16 16 51342 1 . PRO 17 17 51342 1 . TRP 18 18 51342 1 . PHE 19 19 51342 1 . HIS 20 20 51342 1 . GLY 21 21 51342 1 . MET 22 22 51342 1 . LEU 23 23 51342 1 . SER 24 24 51342 1 . ARG 25 25 51342 1 . LEU 26 26 51342 1 . LYS 27 27 51342 1 . ALA 28 28 51342 1 . ALA 29 29 51342 1 . GLN 30 30 51342 1 . LEU 31 31 51342 1 . VAL 32 32 51342 1 . LEU 33 33 51342 1 . GLU 34 34 51342 1 . GLY 35 35 51342 1 . GLY 36 36 51342 1 . THR 37 37 51342 1 . GLY 38 38 51342 1 . SER 39 39 51342 1 . HIS 40 40 51342 1 . GLY 41 41 51342 1 . VAL 42 42 51342 1 . PHE 43 43 51342 1 . LEU 44 44 51342 1 . VAL 45 45 51342 1 . ARG 46 46 51342 1 . GLN 47 47 51342 1 . SER 48 48 51342 1 . GLU 49 49 51342 1 . THR 50 50 51342 1 . ARG 51 51 51342 1 . ARG 52 52 51342 1 . GLY 53 53 51342 1 . GLU 54 54 51342 1 . TYR 55 55 51342 1 . VAL 56 56 51342 1 . LEU 57 57 51342 1 . THR 58 58 51342 1 . PHE 59 59 51342 1 . ASN 60 60 51342 1 . PHE 61 61 51342 1 . GLN 62 62 51342 1 . GLY 63 63 51342 1 . LYS 64 64 51342 1 . ALA 65 65 51342 1 . LYS 66 66 51342 1 . HIS 67 67 51342 1 . LEU 68 68 51342 1 . ARG 69 69 51342 1 . LEU 70 70 51342 1 . SER 71 71 51342 1 . LEU 72 72 51342 1 . ASN 73 73 51342 1 . GLU 74 74 51342 1 . GLU 75 75 51342 1 . GLY 76 76 51342 1 . GLN 77 77 51342 1 . CYS 78 78 51342 1 . ARG 79 79 51342 1 . VAL 80 80 51342 1 . GLN 81 81 51342 1 . HIS 82 82 51342 1 . LEU 83 83 51342 1 . TRP 84 84 51342 1 . PHE 85 85 51342 1 . GLN 86 86 51342 1 . SER 87 87 51342 1 . ILE 88 88 51342 1 . PHE 89 89 51342 1 . ASP 90 90 51342 1 . MET 91 91 51342 1 . LEU 92 92 51342 1 . GLU 93 93 51342 1 . HIS 94 94 51342 1 . PHE 95 95 51342 1 . ARG 96 96 51342 1 . VAL 97 97 51342 1 . HIS 98 98 51342 1 . PRO 99 99 51342 1 . ILE 100 100 51342 1 . PRO 101 101 51342 1 . LEU 102 102 51342 1 . GLU 103 103 51342 1 . SER 104 104 51342 1 . GLY 105 105 51342 1 . GLY 106 106 51342 1 . SER 107 107 51342 1 . SER 108 108 51342 1 . ASP 109 109 51342 1 . VAL 110 110 51342 1 . VAL 111 111 51342 1 . LEU 112 112 51342 1 . VAL 113 113 51342 1 . SER 114 114 51342 1 . TYR 115 115 51342 1 . VAL 116 116 51342 1 . PRO 117 117 51342 1 . SER 118 118 51342 1 . GLN 119 119 51342 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51342 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Sh2b1 . 51342 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51342 _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' . . . Escherichia coli BL21(DE3) . . plasmid . . pET-4 . . . 51342 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51342 _Sample.ID 1 _Sample.Name A _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 SH2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM 0.05 . . . 51342 1 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM 1 . . . 51342 1 3 DSS 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 51342 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 51342 _Sample_condition_list.ID 1 _Sample_condition_list.Name A _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 51342 1 pH 6.0 0.1 pH 51342 1 pressure 1 . atm 51342 1 temperature 298 1 K 51342 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51342 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.05 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51342 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51342 _Software.ID 2 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51342 2 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 51342 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51342 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 3 '3D HN(CA)CO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 7 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 8 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 9 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 10 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 11 '3D HC(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 12 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 13 '3D HCCH-COSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 14 '2D HBCBCGCDHD' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 15 '2D HBCBCGCDCEHE' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 1 16 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51342 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 51342 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name A _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 internal indirect 0.251449530 . . . . . 51342 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51342 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51342 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 51342 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name A _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 '2D 1H-15N HSQC' . . . 51342 1 2 '3D HNCO' . . . 51342 1 3 '3D HN(CA)CO' . . . 51342 1 4 '3D HNCA' . . . 51342 1 5 '3D HN(CO)CA' . . . 51342 1 6 '3D HNCACB' . . . 51342 1 7 '3D CBCA(CO)NH' . . . 51342 1 8 '2D 1H-13C HSQC' . . . 51342 1 9 '3D HBHA(CO)NH' . . . 51342 1 10 '3D C(CO)NH' . . . 51342 1 11 '3D HC(CO)NH' . . . 51342 1 12 '3D HCCH-TOCSY' . . . 51342 1 13 '3D HCCH-COSY' . . . 51342 1 14 '2D HBCBCGCDHD' . . . 51342 1 15 '2D HBCBCGCDCEHE' . . . 51342 1 16 '2D 1H-1H NOESY' . . . 51342 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51342 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 LYS H H 1 7.630 0.005 . 1 . . . . . 2 LYS HN . 51342 1 2 . 1 . 1 2 2 LYS HA H 1 4.390 0.005 . 1 . . . . . 2 LYS HA . 51342 1 3 . 1 . 1 2 2 LYS HB2 H 1 1.720 0.005 . 2 . . . . . 2 LYS HB1 . 51342 1 4 . 1 . 1 2 2 LYS HB3 H 1 1.730 0.005 . 2 . . . . . 2 LYS HB2 . 51342 1 5 . 1 . 1 2 2 LYS HG2 H 1 1.350 0.005 . 2 . . . . . 2 LYS HG1 . 51342 1 6 . 1 . 1 2 2 LYS HG3 H 1 1.350 0.005 . 2 . . . . . 2 LYS HG2 . 51342 1 7 . 1 . 1 2 2 LYS HD2 H 1 1.690 0.005 . 2 . . . . . 2 LYS HD1 . 51342 1 8 . 1 . 1 2 2 LYS HD3 H 1 1.690 0.005 . 2 . . . . . 2 LYS HD2 . 51342 1 9 . 1 . 1 2 2 LYS HE2 H 1 2.980 0.005 . 2 . . . . . 2 LYS HE1 . 51342 1 10 . 1 . 1 2 2 LYS HE3 H 1 2.990 0.005 . 2 . . . . . 2 LYS HE2 . 51342 1 11 . 1 . 1 2 2 LYS C C 13 175.640 0.050 . 1 . . . . . 2 LYS C . 51342 1 12 . 1 . 1 2 2 LYS CA C 13 56.260 0.050 . 1 . . . . . 2 LYS CA . 51342 1 13 . 1 . 1 2 2 LYS CB C 13 33.210 0.050 . 1 . . . . . 2 LYS CB . 51342 1 14 . 1 . 1 2 2 LYS CG C 13 24.750 0.050 . 1 . . . . . 2 LYS CG . 51342 1 15 . 1 . 1 2 2 LYS CD C 13 29.070 0.050 . 1 . . . . . 2 LYS CD . 51342 1 16 . 1 . 1 2 2 LYS CE C 13 42.170 0.050 . 1 . . . . . 2 LYS CE . 51342 1 17 . 1 . 1 2 2 LYS N N 15 122.720 0.050 . 1 . . . . . 2 LYS N . 51342 1 18 . 1 . 1 3 3 ILE H H 1 8.310 0.005 . 1 . . . . . 3 ILE HN . 51342 1 19 . 1 . 1 3 3 ILE HA H 1 4.090 0.005 . 1 . . . . . 3 ILE HA . 51342 1 20 . 1 . 1 3 3 ILE HB H 1 1.730 0.005 . 1 . . . . . 3 ILE HB . 51342 1 21 . 1 . 1 3 3 ILE HG12 H 1 1.120 0.005 . 2 . . . . . 3 ILE HG11 . 51342 1 22 . 1 . 1 3 3 ILE HG13 H 1 1.390 0.005 . 2 . . . . . 3 ILE HG12 . 51342 1 23 . 1 . 1 3 3 ILE HG21 H 1 0.720 0.005 . 1 . . . . . 3 ILE HG2# . 51342 1 24 . 1 . 1 3 3 ILE HG22 H 1 0.720 0.005 . 1 . . . . . 3 ILE HG2# . 51342 1 25 . 1 . 1 3 3 ILE HG23 H 1 0.720 0.005 . 1 . . . . . 3 ILE HG2# . 51342 1 26 . 1 . 1 3 3 ILE HD11 H 1 0.810 0.005 . 1 . . . . . 3 ILE HD1# . 51342 1 27 . 1 . 1 3 3 ILE HD12 H 1 0.810 0.005 . 1 . . . . . 3 ILE HD1# . 51342 1 28 . 1 . 1 3 3 ILE HD13 H 1 0.810 0.005 . 1 . . . . . 3 ILE HD1# . 51342 1 29 . 1 . 1 3 3 ILE C C 13 175.670 0.050 . 1 . . . . . 3 ILE C . 51342 1 30 . 1 . 1 3 3 ILE CA C 13 60.700 0.050 . 1 . . . . . 3 ILE CA . 51342 1 31 . 1 . 1 3 3 ILE CB C 13 38.650 0.050 . 1 . . . . . 3 ILE CB . 51342 1 32 . 1 . 1 3 3 ILE CG1 C 13 27.210 0.050 . 1 . . . . . 3 ILE CG1 . 51342 1 33 . 1 . 1 3 3 ILE CG2 C 13 17.320 0.050 . 1 . . . . . 3 ILE CG2 . 51342 1 34 . 1 . 1 3 3 ILE CD1 C 13 12.650 0.050 . 1 . . . . . 3 ILE CD1 . 51342 1 35 . 1 . 1 3 3 ILE N N 15 123.450 0.050 . 1 . . . . . 3 ILE N . 51342 1 36 . 1 . 1 4 4 HIS H H 1 8.560 0.005 . 1 . . . . . 4 HIS HN . 51342 1 37 . 1 . 1 4 4 HIS HA H 1 4.640 0.005 . 1 . . . . . 4 HIS HA . 51342 1 38 . 1 . 1 4 4 HIS HB2 H 1 3.040 0.005 . 2 . . . . . 4 HIS HB1 . 51342 1 39 . 1 . 1 4 4 HIS HB3 H 1 3.120 0.005 . 2 . . . . . 4 HIS HB2 . 51342 1 40 . 1 . 1 4 4 HIS HD1 H 1 7.140 0.005 . 1 . . . . . 4 HIS HD1 . 51342 1 41 . 1 . 1 4 4 HIS HD2 H 1 7.120 0.005 . 1 . . . . . 4 HIS HD2 . 51342 1 42 . 1 . 1 4 4 HIS HE1 H 1 8.220 0.005 . 1 . . . . . 4 HIS HE1 . 51342 1 43 . 1 . 1 4 4 HIS C C 13 177.610 0.050 . 1 . . . . . 4 HIS C . 51342 1 44 . 1 . 1 4 4 HIS CA C 13 55.870 0.050 . 1 . . . . . 4 HIS CA . 51342 1 45 . 1 . 1 4 4 HIS CB C 13 29.910 0.050 . 1 . . . . . 4 HIS CB . 51342 1 46 . 1 . 1 4 4 HIS CD2 C 13 120.200 0.050 . 1 . . . . . 4 HIS CD2 . 51342 1 47 . 1 . 1 4 4 HIS CE1 C 13 137.720 0.050 . 1 . . . . . 4 HIS CE1 . 51342 1 48 . 1 . 1 4 4 HIS N N 15 124.020 0.050 . 1 . . . . . 4 HIS N . 51342 1 49 . 1 . 1 4 4 HIS ND1 N 15 194.630 0.050 . 1 . . . . . 4 HIS ND1 . 51342 1 50 . 1 . 1 5 5 HIS H H 1 8.420 0.005 . 1 . . . . . 5 HIS HN . 51342 1 51 . 1 . 1 5 5 HIS HA H 1 4.250 0.005 . 1 . . . . . 5 HIS HA . 51342 1 52 . 1 . 1 5 5 HIS HB2 H 1 3.130 0.005 . 2 . . . . . 5 HIS HB1 . 51342 1 53 . 1 . 1 5 5 HIS HB3 H 1 3.130 0.005 . 2 . . . . . 5 HIS HB2 . 51342 1 54 . 1 . 1 5 5 HIS HD2 H 1 6.830 0.005 . 1 . . . . . 5 HIS HD2 . 51342 1 55 . 1 . 1 5 5 HIS HE1 H 1 7.460 0.005 . 1 . . . . . 5 HIS HE1 . 51342 1 56 . 1 . 1 5 5 HIS C C 13 176.090 0.050 . 1 . . . . . 5 HIS C . 51342 1 57 . 1 . 1 5 5 HIS CA C 13 56.220 0.050 . 1 . . . . . 5 HIS CA . 51342 1 58 . 1 . 1 5 5 HIS CB C 13 33.150 0.050 . 1 . . . . . 5 HIS CB . 51342 1 59 . 1 . 1 5 5 HIS CD2 C 13 120.160 0.050 . 1 . . . . . 5 HIS CD2 . 51342 1 60 . 1 . 1 5 5 HIS CE1 C 13 137.700 0.050 . 1 . . . . . 5 HIS CE1 . 51342 1 61 . 1 . 1 5 5 HIS N N 15 121.140 0.050 . 1 . . . . . 5 HIS N . 51342 1 62 . 1 . 1 5 5 HIS ND1 N 15 191.800 0.050 . 1 . . . . . 5 HIS ND1 . 51342 1 63 . 1 . 1 6 6 HIS H H 1 8.290 0.005 . 1 . . . . . 6 HIS HN . 51342 1 64 . 1 . 1 6 6 HIS HA H 1 5.370 0.005 . 1 . . . . . 6 HIS HA . 51342 1 65 . 1 . 1 6 6 HIS HB2 H 1 2.270 0.005 . 2 . . . . . 6 HIS HB1 . 51342 1 66 . 1 . 1 6 6 HIS HB3 H 1 2.420 0.005 . 2 . . . . . 6 HIS HB2 . 51342 1 67 . 1 . 1 6 6 HIS HD2 H 1 7.090 0.005 . 1 . . . . . 6 HIS HD2 . 51342 1 68 . 1 . 1 6 6 HIS HE1 H 1 7.390 0.005 . 1 . . . . . 6 HIS HE1 . 51342 1 69 . 1 . 1 6 6 HIS C C 13 176.170 0.050 . 1 . . . . . 6 HIS C . 51342 1 70 . 1 . 1 6 6 HIS CA C 13 57.960 0.050 . 1 . . . . . 6 HIS CA . 51342 1 71 . 1 . 1 6 6 HIS CB C 13 30.020 0.050 . 1 . . . . . 6 HIS CB . 51342 1 72 . 1 . 1 6 6 HIS CD2 C 13 120.430 0.050 . 1 . . . . . 6 HIS CD2 . 51342 1 73 . 1 . 1 6 6 HIS CE1 C 13 137.170 0.050 . 1 . . . . . 6 HIS CE1 . 51342 1 74 . 1 . 1 6 6 HIS N N 15 120.030 0.050 . 1 . . . . . 6 HIS N . 51342 1 75 . 1 . 1 6 6 HIS ND1 N 15 189.350 0.050 . 1 . . . . . 6 HIS ND1 . 51342 1 76 . 1 . 1 7 7 HIS H H 1 8.980 0.005 . 1 . . . . . 7 HIS HN . 51342 1 77 . 1 . 1 7 7 HIS HA H 1 5.040 0.005 . 1 . . . . . 7 HIS HA . 51342 1 78 . 1 . 1 7 7 HIS HB2 H 1 2.280 0.005 . 2 . . . . . 7 HIS HB1 . 51342 1 79 . 1 . 1 7 7 HIS HB3 H 1 2.890 0.005 . 2 . . . . . 7 HIS HB2 . 51342 1 80 . 1 . 1 7 7 HIS HD1 H 1 6.920 0.005 . 1 . . . . . 7 HIS HD1 . 51342 1 81 . 1 . 1 7 7 HIS HD2 H 1 7.060 0.005 . 1 . . . . . 7 HIS HD2 . 51342 1 82 . 1 . 1 7 7 HIS HE1 H 1 8.300 0.005 . 1 . . . . . 7 HIS HE1 . 51342 1 83 . 1 . 1 7 7 HIS C C 13 175.640 0.050 . 1 . . . . . 7 HIS C . 51342 1 84 . 1 . 1 7 7 HIS CA C 13 56.260 0.050 . 1 . . . . . 7 HIS CA . 51342 1 85 . 1 . 1 7 7 HIS CB C 13 32.060 0.050 . 1 . . . . . 7 HIS CB . 51342 1 86 . 1 . 1 7 7 HIS CD2 C 13 120.400 0.050 . 1 . . . . . 7 HIS CD2 . 51342 1 87 . 1 . 1 7 7 HIS CE1 C 13 137.290 0.050 . 1 . . . . . 7 HIS CE1 . 51342 1 88 . 1 . 1 7 7 HIS N N 15 120.090 0.050 . 1 . . . . . 7 HIS N . 51342 1 89 . 1 . 1 7 7 HIS ND1 N 15 182.050 0.050 . 1 . . . . . 7 HIS ND1 . 51342 1 90 . 1 . 1 8 8 HIS H H 1 8.980 0.005 . 1 . . . . . 8 HIS HN . 51342 1 91 . 1 . 1 8 8 HIS HA H 1 4.390 0.005 . 1 . . . . . 8 HIS HA . 51342 1 92 . 1 . 1 8 8 HIS HB2 H 1 2.180 0.005 . 2 . . . . . 8 HIS HB1 . 51342 1 93 . 1 . 1 8 8 HIS HB3 H 1 3.130 0.005 . 2 . . . . . 8 HIS HB2 . 51342 1 94 . 1 . 1 8 8 HIS HD1 H 1 6.920 0.005 . 1 . . . . . 8 HIS HD1 . 51342 1 95 . 1 . 1 8 8 HIS HD2 H 1 7.130 0.005 . 1 . . . . . 8 HIS HD2 . 51342 1 96 . 1 . 1 8 8 HIS HE1 H 1 8.300 0.005 . 1 . . . . . 8 HIS HE1 . 51342 1 97 . 1 . 1 8 8 HIS C C 13 175.660 0.050 . 1 . . . . . 8 HIS C . 51342 1 98 . 1 . 1 8 8 HIS CA C 13 56.390 0.050 . 1 . . . . . 8 HIS CA . 51342 1 99 . 1 . 1 8 8 HIS CB C 13 29.620 0.050 . 1 . . . . . 8 HIS CB . 51342 1 100 . 1 . 1 8 8 HIS CD2 C 13 120.220 0.050 . 1 . . . . . 8 HIS CD2 . 51342 1 101 . 1 . 1 8 8 HIS CE1 C 13 137.270 0.050 . 1 . . . . . 8 HIS CE1 . 51342 1 102 . 1 . 1 8 8 HIS N N 15 123.020 0.050 . 1 . . . . . 8 HIS N . 51342 1 103 . 1 . 1 8 8 HIS ND1 N 15 182.050 0.050 . 1 . . . . . 8 HIS ND1 . 51342 1 104 . 1 . 1 9 9 HIS H H 1 8.550 0.005 . 1 . . . . . 9 HIS HN . 51342 1 105 . 1 . 1 9 9 HIS HA H 1 4.640 0.005 . 1 . . . . . 9 HIS HA . 51342 1 106 . 1 . 1 9 9 HIS HB2 H 1 3.140 0.005 . 2 . . . . . 9 HIS HB1 . 51342 1 107 . 1 . 1 9 9 HIS HB3 H 1 3.140 0.005 . 2 . . . . . 9 HIS HB2 . 51342 1 108 . 1 . 1 9 9 HIS HD2 H 1 7.140 0.005 . 1 . . . . . 9 HIS HD2 . 51342 1 109 . 1 . 1 9 9 HIS HE1 H 1 7.490 0.005 . 1 . . . . . 9 HIS HE1 . 51342 1 110 . 1 . 1 9 9 HIS C C 13 174.380 0.050 . 1 . . . . . 9 HIS C . 51342 1 111 . 1 . 1 9 9 HIS CA C 13 55.320 0.050 . 1 . . . . . 9 HIS CA . 51342 1 112 . 1 . 1 9 9 HIS CB C 13 29.900 0.050 . 1 . . . . . 9 HIS CB . 51342 1 113 . 1 . 1 9 9 HIS CD2 C 13 124.500 0.050 . 1 . . . . . 9 HIS CD2 . 51342 1 114 . 1 . 1 9 9 HIS CE1 C 13 138.540 0.050 . 1 . . . . . 9 HIS CE1 . 51342 1 115 . 1 . 1 9 9 HIS N N 15 123.970 0.050 . 1 . . . . . 9 HIS N . 51342 1 116 . 1 . 1 9 9 HIS ND1 N 15 191.880 0.050 . 1 . . . . . 9 HIS ND1 . 51342 1 117 . 1 . 1 10 10 ASP H H 1 8.540 0.005 . 1 . . . . . 10 ASP HN . 51342 1 118 . 1 . 1 10 10 ASP HA H 1 4.620 0.005 . 1 . . . . . 10 ASP HA . 51342 1 119 . 1 . 1 10 10 ASP HB2 H 1 2.700 0.005 . 2 . . . . . 10 ASP HB1 . 51342 1 120 . 1 . 1 10 10 ASP HB3 H 1 2.700 0.005 . 2 . . . . . 10 ASP HB2 . 51342 1 121 . 1 . 1 10 10 ASP C C 13 175.750 0.050 . 1 . . . . . 10 ASP C . 51342 1 122 . 1 . 1 10 10 ASP CA C 13 54.560 0.050 . 1 . . . . . 10 ASP CA . 51342 1 123 . 1 . 1 10 10 ASP CB C 13 41.060 0.050 . 1 . . . . . 10 ASP CB . 51342 1 124 . 1 . 1 10 10 ASP N N 15 121.020 0.050 . 1 . . . . . 10 ASP N . 51342 1 125 . 1 . 1 11 11 GLN H H 1 8.280 0.005 . 1 . . . . . 11 GLN HN . 51342 1 126 . 1 . 1 11 11 GLN HA H 1 4.740 0.005 . 1 . . . . . 11 GLN HA . 51342 1 127 . 1 . 1 11 11 GLN HB2 H 1 2.140 0.005 . 2 . . . . . 11 GLN HB1 . 51342 1 128 . 1 . 1 11 11 GLN HB3 H 1 2.140 0.005 . 2 . . . . . 11 GLN HB2 . 51342 1 129 . 1 . 1 11 11 GLN HG2 H 1 2.630 0.005 . 2 . . . . . 11 GLN HG1 . 51342 1 130 . 1 . 1 11 11 GLN HG3 H 1 2.630 0.005 . 2 . . . . . 11 GLN HG2 . 51342 1 131 . 1 . 1 11 11 GLN HE21 H 1 6.950 0.005 . 2 . . . . . 11 GLN HE21 . 51342 1 132 . 1 . 1 11 11 GLN HE22 H 1 7.540 0.005 . 2 . . . . . 11 GLN HE22 . 51342 1 133 . 1 . 1 11 11 GLN C C 13 174.220 0.050 . 1 . . . . . 11 GLN C . 51342 1 134 . 1 . 1 11 11 GLN CA C 13 53.350 0.050 . 1 . . . . . 11 GLN CA . 51342 1 135 . 1 . 1 11 11 GLN CB C 13 29.070 0.050 . 1 . . . . . 11 GLN CB . 51342 1 136 . 1 . 1 11 11 GLN CG C 13 33.780 0.050 . 1 . . . . . 11 GLN CG . 51342 1 137 . 1 . 1 11 11 GLN N N 15 120.190 0.050 . 1 . . . . . 11 GLN N . 51342 1 138 . 1 . 1 11 11 GLN NE2 N 15 112.240 0.050 . 1 . . . . . 11 GLN NE2 . 51342 1 139 . 1 . 1 12 12 PRO HA H 1 4.420 0.005 . 1 . . . . . 12 PRO HA . 51342 1 140 . 1 . 1 12 12 PRO HB2 H 1 2.340 0.005 . 2 . . . . . 12 PRO HB1 . 51342 1 141 . 1 . 1 12 12 PRO HB3 H 1 2.340 0.005 . 2 . . . . . 12 PRO HB2 . 51342 1 142 . 1 . 1 12 12 PRO HG2 H 1 1.950 0.005 . 2 . . . . . 12 PRO HG1 . 51342 1 143 . 1 . 1 12 12 PRO HG3 H 1 1.960 0.005 . 2 . . . . . 12 PRO HG2 . 51342 1 144 . 1 . 1 12 12 PRO HD2 H 1 3.740 0.005 . 2 . . . . . 12 PRO HD1 . 51342 1 145 . 1 . 1 12 12 PRO HD3 H 1 3.730 0.005 . 2 . . . . . 12 PRO HD2 . 51342 1 146 . 1 . 1 12 12 PRO C C 13 177.680 0.050 . 1 . . . . . 12 PRO C . 51342 1 147 . 1 . 1 12 12 PRO CA C 13 64.080 0.050 . 1 . . . . . 12 PRO CA . 51342 1 148 . 1 . 1 12 12 PRO CB C 13 32.080 0.050 . 1 . . . . . 12 PRO CB . 51342 1 149 . 1 . 1 12 12 PRO CG C 13 27.550 0.050 . 1 . . . . . 12 PRO CG . 51342 1 150 . 1 . 1 12 12 PRO CD C 13 50.660 0.050 . 1 . . . . . 12 PRO CD . 51342 1 151 . 1 . 1 13 13 LEU H H 1 8.210 0.005 . 1 . . . . . 13 LEU HN . 51342 1 152 . 1 . 1 13 13 LEU HA H 1 4.250 0.005 . 1 . . . . . 13 LEU HA . 51342 1 153 . 1 . 1 13 13 LEU HB2 H 1 0.360 0.005 . 2 . . . . . 13 LEU HB1 . 51342 1 154 . 1 . 1 13 13 LEU HB3 H 1 0.560 0.005 . 2 . . . . . 13 LEU HB2 . 51342 1 155 . 1 . 1 13 13 LEU HG H 1 1.140 0.005 . 1 . . . . . 13 LEU HG . 51342 1 156 . 1 . 1 13 13 LEU HD11 H 1 0.580 0.005 . 2 . . . . . 13 LEU HD1# . 51342 1 157 . 1 . 1 13 13 LEU HD12 H 1 0.580 0.005 . 2 . . . . . 13 LEU HD1# . 51342 1 158 . 1 . 1 13 13 LEU HD13 H 1 0.580 0.005 . 2 . . . . . 13 LEU HD1# . 51342 1 159 . 1 . 1 13 13 LEU HD21 H 1 0.250 0.005 . 2 . . . . . 13 LEU HD2# . 51342 1 160 . 1 . 1 13 13 LEU HD22 H 1 0.250 0.005 . 2 . . . . . 13 LEU HD2# . 51342 1 161 . 1 . 1 13 13 LEU HD23 H 1 0.250 0.005 . 2 . . . . . 13 LEU HD2# . 51342 1 162 . 1 . 1 13 13 LEU C C 13 176.090 0.050 . 1 . . . . . 13 LEU C . 51342 1 163 . 1 . 1 13 13 LEU CA C 13 55.180 0.050 . 1 . . . . . 13 LEU CA . 51342 1 164 . 1 . 1 13 13 LEU CB C 13 39.520 0.050 . 1 . . . . . 13 LEU CB . 51342 1 165 . 1 . 1 13 13 LEU CG C 13 26.930 0.050 . 1 . . . . . 13 LEU CG . 51342 1 166 . 1 . 1 13 13 LEU CD1 C 13 23.110 0.050 . 1 . . . . . 13 LEU CD1 . 51342 1 167 . 1 . 1 13 13 LEU CD2 C 13 25.710 0.050 . 1 . . . . . 13 LEU CD2 . 51342 1 168 . 1 . 1 13 13 LEU N N 15 118.570 0.050 . 1 . . . . . 13 LEU N . 51342 1 169 . 1 . 1 14 14 SER H H 1 7.440 0.005 . 1 . . . . . 14 SER HN . 51342 1 170 . 1 . 1 14 14 SER HA H 1 4.200 0.005 . 1 . . . . . 14 SER HA . 51342 1 171 . 1 . 1 14 14 SER HB2 H 1 3.950 0.005 . 2 . . . . . 14 SER HB1 . 51342 1 172 . 1 . 1 14 14 SER HB3 H 1 3.950 0.005 . 2 . . . . . 14 SER HB2 . 51342 1 173 . 1 . 1 14 14 SER C C 13 175.340 0.050 . 1 . . . . . 14 SER C . 51342 1 174 . 1 . 1 14 14 SER CA C 13 60.410 0.050 . 1 . . . . . 14 SER CA . 51342 1 175 . 1 . 1 14 14 SER CB C 13 63.110 0.050 . 1 . . . . . 14 SER CB . 51342 1 176 . 1 . 1 14 14 SER N N 15 110.910 0.050 . 1 . . . . . 14 SER N . 51342 1 177 . 1 . 1 15 15 GLY H H 1 8.490 0.005 . 1 . . . . . 15 GLY HN . 51342 1 178 . 1 . 1 15 15 GLY HA2 H 1 3.740 0.005 . 2 . . . . . 15 GLY HA1 . 51342 1 179 . 1 . 1 15 15 GLY HA3 H 1 3.740 0.005 . 2 . . . . . 15 GLY HA2 . 51342 1 180 . 1 . 1 15 15 GLY C C 13 174.280 0.050 . 1 . . . . . 15 GLY C . 51342 1 181 . 1 . 1 15 15 GLY CA C 13 44.930 0.050 . 1 . . . . . 15 GLY CA . 51342 1 182 . 1 . 1 15 15 GLY N N 15 110.800 0.050 . 1 . . . . . 15 GLY N . 51342 1 183 . 1 . 1 16 16 TYR H H 1 7.420 0.005 . 1 . . . . . 16 TYR HN . 51342 1 184 . 1 . 1 16 16 TYR HA H 1 4.390 0.005 . 1 . . . . . 16 TYR HA . 51342 1 185 . 1 . 1 16 16 TYR HB2 H 1 1.640 0.005 . 2 . . . . . 16 TYR HB1 . 51342 1 186 . 1 . 1 16 16 TYR HB3 H 1 2.270 0.005 . 2 . . . . . 16 TYR HB2 . 51342 1 187 . 1 . 1 16 16 TYR HD1 H 1 7.010 0.005 . 1 . . . . . 16 TYR HD . 51342 1 188 . 1 . 1 16 16 TYR HD2 H 1 7.010 0.005 . 1 . . . . . 16 TYR HD . 51342 1 189 . 1 . 1 16 16 TYR HE1 H 1 6.840 0.005 . 1 . . . . . 16 TYR HE . 51342 1 190 . 1 . 1 16 16 TYR HE2 H 1 6.840 0.005 . 1 . . . . . 16 TYR HE . 51342 1 191 . 1 . 1 16 16 TYR C C 13 176.530 0.050 . 1 . . . . . 16 TYR C . 51342 1 192 . 1 . 1 16 16 TYR CA C 13 56.360 0.050 . 1 . . . . . 16 TYR CA . 51342 1 193 . 1 . 1 16 16 TYR CB C 13 36.130 0.050 . 1 . . . . . 16 TYR CB . 51342 1 194 . 1 . 1 16 16 TYR CD1 C 13 133.150 0.050 . 1 . . . . . 16 TYR CD . 51342 1 195 . 1 . 1 16 16 TYR CD2 C 13 133.150 0.050 . 1 . . . . . 16 TYR CD . 51342 1 196 . 1 . 1 16 16 TYR CE1 C 13 118.210 0.050 . 1 . . . . . 16 TYR CE . 51342 1 197 . 1 . 1 16 16 TYR CE2 C 13 118.210 0.050 . 1 . . . . . 16 TYR CE . 51342 1 198 . 1 . 1 16 16 TYR N N 15 119.980 0.050 . 1 . . . . . 16 TYR N . 51342 1 199 . 1 . 1 17 17 PRO HA H 1 4.380 0.005 . 1 . . . . . 17 PRO HA . 51342 1 200 . 1 . 1 17 17 PRO HB2 H 1 2.070 0.005 . 2 . . . . . 17 PRO HB1 . 51342 1 201 . 1 . 1 17 17 PRO HB3 H 1 2.300 0.005 . 2 . . . . . 17 PRO HB2 . 51342 1 202 . 1 . 1 17 17 PRO HG2 H 1 1.760 0.005 . 2 . . . . . 17 PRO HG1 . 51342 1 203 . 1 . 1 17 17 PRO HG3 H 1 2.280 0.005 . 2 . . . . . 17 PRO HG2 . 51342 1 204 . 1 . 1 17 17 PRO HD2 H 1 3.530 0.005 . 2 . . . . . 17 PRO HD1 . 51342 1 205 . 1 . 1 17 17 PRO HD3 H 1 3.800 0.005 . 2 . . . . . 17 PRO HD2 . 51342 1 206 . 1 . 1 17 17 PRO C C 13 172.430 0.050 . 1 . . . . . 17 PRO C . 51342 1 207 . 1 . 1 17 17 PRO CA C 13 64.440 0.050 . 1 . . . . . 17 PRO CA . 51342 1 208 . 1 . 1 17 17 PRO CB C 13 33.950 0.050 . 1 . . . . . 17 PRO CB . 51342 1 209 . 1 . 1 17 17 PRO CG C 13 27.360 0.050 . 1 . . . . . 17 PRO CG . 51342 1 210 . 1 . 1 17 17 PRO CD C 13 50.710 0.050 . 1 . . . . . 17 PRO CD . 51342 1 211 . 1 . 1 18 18 TRP H H 1 5.570 0.005 . 1 . . . . . 18 TRP HN . 51342 1 212 . 1 . 1 18 18 TRP HA H 1 4.530 0.005 . 1 . . . . . 18 TRP HA . 51342 1 213 . 1 . 1 18 18 TRP HB2 H 1 2.280 0.005 . 2 . . . . . 18 TRP HB1 . 51342 1 214 . 1 . 1 18 18 TRP HB3 H 1 3.540 0.005 . 2 . . . . . 18 TRP HB2 . 51342 1 215 . 1 . 1 18 18 TRP HD1 H 1 6.820 0.005 . 1 . . . . . 18 TRP HD1 . 51342 1 216 . 1 . 1 18 18 TRP HE1 H 1 10.680 0.005 . 1 . . . . . 18 TRP HE1 . 51342 1 217 . 1 . 1 18 18 TRP HE3 H 1 6.810 0.005 . 1 . . . . . 18 TRP HE3 . 51342 1 218 . 1 . 1 18 18 TRP HZ2 H 1 6.730 0.005 . 1 . . . . . 18 TRP HZ2 . 51342 1 219 . 1 . 1 18 18 TRP HZ3 H 1 6.450 0.005 . 1 . . . . . 18 TRP HZ3 . 51342 1 220 . 1 . 1 18 18 TRP HH2 H 1 6.450 0.005 . 1 . . . . . 18 TRP HH2 . 51342 1 221 . 1 . 1 18 18 TRP C C 13 175.550 0.050 . 1 . . . . . 18 TRP C . 51342 1 222 . 1 . 1 18 18 TRP CA C 13 52.910 0.050 . 1 . . . . . 18 TRP CA . 51342 1 223 . 1 . 1 18 18 TRP CB C 13 28.680 0.050 . 1 . . . . . 18 TRP CB . 51342 1 224 . 1 . 1 18 18 TRP CD1 C 13 128.750 0.050 . 1 . . . . . 18 TRP CD1 . 51342 1 225 . 1 . 1 18 18 TRP CE3 C 13 120.390 0.050 . 1 . . . . . 18 TRP CE3 . 51342 1 226 . 1 . 1 18 18 TRP CZ2 C 13 115.580 0.050 . 1 . . . . . 18 TRP CZ2 . 51342 1 227 . 1 . 1 18 18 TRP CZ3 C 13 118.570 0.050 . 1 . . . . . 18 TRP CZ3 . 51342 1 228 . 1 . 1 18 18 TRP CH2 C 13 124.170 0.005 . 1 . . . . . 18 TRP CH2 . 51342 1 229 . 1 . 1 18 18 TRP N N 15 109.850 0.050 . 1 . . . . . 18 TRP N . 51342 1 230 . 1 . 1 18 18 TRP NE1 N 15 131.360 0.050 . 1 . . . . . 18 TRP NE1 . 51342 1 231 . 1 . 1 19 19 PHE H H 1 7.640 0.005 . 1 . . . . . 19 PHE HN . 51342 1 232 . 1 . 1 19 19 PHE HA H 1 5.640 0.005 . 1 . . . . . 19 PHE HA . 51342 1 233 . 1 . 1 19 19 PHE HB2 H 1 2.660 0.005 . 2 . . . . . 19 PHE HB1 . 51342 1 234 . 1 . 1 19 19 PHE HB3 H 1 3.050 0.005 . 2 . . . . . 19 PHE HB2 . 51342 1 235 . 1 . 1 19 19 PHE HD1 H 1 7.230 0.005 . 1 . . . . . 19 PHE HD . 51342 1 236 . 1 . 1 19 19 PHE HD2 H 1 7.230 0.005 . 1 . . . . . 19 PHE HD . 51342 1 237 . 1 . 1 19 19 PHE HE1 H 1 7.230 0.005 . 1 . . . . . 19 PHE HE . 51342 1 238 . 1 . 1 19 19 PHE HE2 H 1 7.230 0.005 . 1 . . . . . 19 PHE HE . 51342 1 239 . 1 . 1 19 19 PHE HZ H 1 7.420 0.005 . 1 . . . . . 19 PHE HZ . 51342 1 240 . 1 . 1 19 19 PHE C C 13 175.860 0.050 . 1 . . . . . 19 PHE C . 51342 1 241 . 1 . 1 19 19 PHE CA C 13 57.190 0.050 . 1 . . . . . 19 PHE CA . 51342 1 242 . 1 . 1 19 19 PHE CB C 13 39.850 0.050 . 1 . . . . . 19 PHE CB . 51342 1 243 . 1 . 1 19 19 PHE CD1 C 13 133.160 0.050 . 1 . . . . . 19 PHE CD . 51342 1 244 . 1 . 1 19 19 PHE CD2 C 13 133.160 0.050 . 1 . . . . . 19 PHE CD . 51342 1 245 . 1 . 1 19 19 PHE CE1 C 13 133.230 0.050 . 1 . . . . . 19 PHE CE . 51342 1 246 . 1 . 1 19 19 PHE CE2 C 13 133.230 0.050 . 1 . . . . . 19 PHE CE . 51342 1 247 . 1 . 1 19 19 PHE CZ C 13 130.940 0.050 . 1 . . . . . 19 PHE CZ . 51342 1 248 . 1 . 1 19 19 PHE N N 15 122.740 0.050 . 1 . . . . . 19 PHE N . 51342 1 249 . 1 . 1 20 20 HIS H H 1 8.910 0.005 . 1 . . . . . 20 HIS HN . 51342 1 250 . 1 . 1 20 20 HIS HA H 1 4.400 0.005 . 1 . . . . . 20 HIS HA . 51342 1 251 . 1 . 1 20 20 HIS HB2 H 1 2.560 0.005 . 2 . . . . . 20 HIS HB1 . 51342 1 252 . 1 . 1 20 20 HIS HB3 H 1 3.480 0.005 . 2 . . . . . 20 HIS HB2 . 51342 1 253 . 1 . 1 20 20 HIS C C 13 174.800 0.050 . 1 . . . . . 20 HIS C . 51342 1 254 . 1 . 1 20 20 HIS CA C 13 56.260 0.050 . 1 . . . . . 20 HIS CA . 51342 1 255 . 1 . 1 20 20 HIS CB C 13 33.770 0.050 . 1 . . . . . 20 HIS CB . 51342 1 256 . 1 . 1 20 20 HIS N N 15 125.640 0.050 . 1 . . . . . 20 HIS N . 51342 1 257 . 1 . 1 21 21 GLY H H 1 6.940 0.005 . 1 . . . . . 21 GLY HN . 51342 1 258 . 1 . 1 21 21 GLY HA2 H 1 3.500 0.005 . 2 . . . . . 21 GLY HA1 . 51342 1 259 . 1 . 1 21 21 GLY HA3 H 1 3.770 0.005 . 2 . . . . . 21 GLY HA2 . 51342 1 260 . 1 . 1 21 21 GLY C C 13 174.320 0.050 . 1 . . . . . 21 GLY C . 51342 1 261 . 1 . 1 21 21 GLY CA C 13 47.210 0.050 . 1 . . . . . 21 GLY CA . 51342 1 262 . 1 . 1 21 21 GLY N N 15 112.040 0.050 . 1 . . . . . 21 GLY N . 51342 1 263 . 1 . 1 22 22 MET H H 1 8.780 0.005 . 1 . . . . . 22 MET HN . 51342 1 264 . 1 . 1 22 22 MET HA H 1 4.560 0.005 . 1 . . . . . 22 MET HA . 51342 1 265 . 1 . 1 22 22 MET HB2 H 1 1.910 0.005 . 2 . . . . . 22 MET HB1 . 51342 1 266 . 1 . 1 22 22 MET HB3 H 1 2.180 0.005 . 2 . . . . . 22 MET HB2 . 51342 1 267 . 1 . 1 22 22 MET HG2 H 1 2.520 0.005 . 2 . . . . . 22 MET HG1 . 51342 1 268 . 1 . 1 22 22 MET HG3 H 1 2.480 0.005 . 2 . . . . . 22 MET HG2 . 51342 1 269 . 1 . 1 22 22 MET HE1 H 1 2.080 0.005 . 1 . . . . . 22 MET HE# . 51342 1 270 . 1 . 1 22 22 MET HE2 H 1 2.080 0.005 . 1 . . . . . 22 MET HE# . 51342 1 271 . 1 . 1 22 22 MET HE3 H 1 2.080 0.005 . 1 . . . . . 22 MET HE# . 51342 1 272 . 1 . 1 22 22 MET C C 13 174.180 0.050 . 1 . . . . . 22 MET C . 51342 1 273 . 1 . 1 22 22 MET CA C 13 55.500 0.050 . 1 . . . . . 22 MET CA . 51342 1 274 . 1 . 1 22 22 MET CB C 13 30.650 0.050 . 1 . . . . . 22 MET CB . 51342 1 275 . 1 . 1 22 22 MET CG C 13 32.090 0.050 . 1 . . . . . 22 MET CG . 51342 1 276 . 1 . 1 22 22 MET CE C 13 16.910 0.050 . 1 . . . . . 22 MET CE . 51342 1 277 . 1 . 1 22 22 MET N N 15 127.030 0.050 . 1 . . . . . 22 MET N . 51342 1 278 . 1 . 1 23 23 LEU H H 1 7.490 0.005 . 1 . . . . . 23 LEU HN . 51342 1 279 . 1 . 1 23 23 LEU HA H 1 4.530 0.005 . 1 . . . . . 23 LEU HA . 51342 1 280 . 1 . 1 23 23 LEU HB2 H 1 1.470 0.005 . 2 . . . . . 23 LEU HB1 . 51342 1 281 . 1 . 1 23 23 LEU HB3 H 1 1.490 0.005 . 2 . . . . . 23 LEU HB2 . 51342 1 282 . 1 . 1 23 23 LEU HG H 1 1.790 0.005 . 1 . . . . . 23 LEU HG . 51342 1 283 . 1 . 1 23 23 LEU HD11 H 1 1.050 0.005 . 2 . . . . . 23 LEU HD1# . 51342 1 284 . 1 . 1 23 23 LEU HD12 H 1 1.050 0.005 . 2 . . . . . 23 LEU HD1# . 51342 1 285 . 1 . 1 23 23 LEU HD13 H 1 1.050 0.005 . 2 . . . . . 23 LEU HD1# . 51342 1 286 . 1 . 1 23 23 LEU HD21 H 1 0.800 0.005 . 2 . . . . . 23 LEU HD2# . 51342 1 287 . 1 . 1 23 23 LEU HD22 H 1 0.800 0.005 . 2 . . . . . 23 LEU HD2# . 51342 1 288 . 1 . 1 23 23 LEU HD23 H 1 0.800 0.005 . 2 . . . . . 23 LEU HD2# . 51342 1 289 . 1 . 1 23 23 LEU C C 13 175.340 0.050 . 1 . . . . . 23 LEU C . 51342 1 290 . 1 . 1 23 23 LEU CA C 13 53.960 0.050 . 1 . . . . . 23 LEU CA . 51342 1 291 . 1 . 1 23 23 LEU CB C 13 45.350 0.050 . 1 . . . . . 23 LEU CB . 51342 1 292 . 1 . 1 23 23 LEU CG C 13 26.770 0.050 . 1 . . . . . 23 LEU CG . 51342 1 293 . 1 . 1 23 23 LEU CD1 C 13 24.500 0.050 . 1 . . . . . 23 LEU CD1 . 51342 1 294 . 1 . 1 23 23 LEU CD2 C 13 24.740 0.050 . 1 . . . . . 23 LEU CD2 . 51342 1 295 . 1 . 1 23 23 LEU N N 15 128.250 0.050 . 1 . . . . . 23 LEU N . 51342 1 296 . 1 . 1 24 24 SER H H 1 8.400 0.005 . 1 . . . . . 24 SER HN . 51342 1 297 . 1 . 1 24 24 SER HA H 1 4.300 0.005 . 1 . . . . . 24 SER HA . 51342 1 298 . 1 . 1 24 24 SER HB2 H 1 4.030 0.005 . 2 . . . . . 24 SER HB1 . 51342 1 299 . 1 . 1 24 24 SER HB3 H 1 4.350 0.005 . 2 . . . . . 24 SER HB2 . 51342 1 300 . 1 . 1 24 24 SER C C 13 173.810 0.050 . 1 . . . . . 24 SER C . 51342 1 301 . 1 . 1 24 24 SER CA C 13 57.750 0.050 . 1 . . . . . 24 SER CA . 51342 1 302 . 1 . 1 24 24 SER CB C 13 64.800 0.050 . 1 . . . . . 24 SER CB . 51342 1 303 . 1 . 1 24 24 SER N N 15 121.980 0.050 . 1 . . . . . 24 SER N . 51342 1 304 . 1 . 1 25 25 ARG H H 1 9.040 0.005 . 1 . . . . . 25 ARG HN . 51342 1 305 . 1 . 1 25 25 ARG HA H 1 3.570 0.005 . 1 . . . . . 25 ARG HA . 51342 1 306 . 1 . 1 25 25 ARG HB2 H 1 1.640 0.005 . 2 . . . . . 25 ARG HB1 . 51342 1 307 . 1 . 1 25 25 ARG HB3 H 1 2.010 0.005 . 2 . . . . . 25 ARG HB2 . 51342 1 308 . 1 . 1 25 25 ARG HG2 H 1 0.350 0.005 . 2 . . . . . 25 ARG HG1 . 51342 1 309 . 1 . 1 25 25 ARG HG3 H 1 1.140 0.005 . 2 . . . . . 25 ARG HG2 . 51342 1 310 . 1 . 1 25 25 ARG HE H 1 7.760 0.005 . 1 . . . . . 25 ARG HE . 51342 1 311 . 1 . 1 25 25 ARG C C 13 177.960 0.050 . 1 . . . . . 25 ARG C . 51342 1 312 . 1 . 1 25 25 ARG CA C 13 60.150 0.050 . 1 . . . . . 25 ARG CA . 51342 1 313 . 1 . 1 25 25 ARG CB C 13 30.780 0.050 . 1 . . . . . 25 ARG CB . 51342 1 314 . 1 . 1 25 25 ARG CG C 13 27.170 0.050 . 1 . . . . . 25 ARG CG . 51342 1 315 . 1 . 1 25 25 ARG N N 15 124.010 0.050 . 1 . . . . . 25 ARG N . 51342 1 316 . 1 . 1 25 25 ARG NE N 15 85.000 0.050 . 1 . . . . . 25 ARG NE . 51342 1 317 . 1 . 1 26 26 LEU H H 1 8.110 0.005 . 1 . . . . . 26 LEU HN . 51342 1 318 . 1 . 1 26 26 LEU HA H 1 4.140 0.005 . 1 . . . . . 26 LEU HA . 51342 1 319 . 1 . 1 26 26 LEU HB2 H 1 1.560 0.005 . 2 . . . . . 26 LEU HB1 . 51342 1 320 . 1 . 1 26 26 LEU HB3 H 1 1.660 0.005 . 2 . . . . . 26 LEU HB2 . 51342 1 321 . 1 . 1 26 26 LEU HG H 1 1.630 0.005 . 1 . . . . . 26 LEU HG . 51342 1 322 . 1 . 1 26 26 LEU HD11 H 1 0.910 0.005 . 2 . . . . . 26 LEU HD1# . 51342 1 323 . 1 . 1 26 26 LEU HD12 H 1 0.910 0.005 . 2 . . . . . 26 LEU HD1# . 51342 1 324 . 1 . 1 26 26 LEU HD13 H 1 0.910 0.005 . 2 . . . . . 26 LEU HD1# . 51342 1 325 . 1 . 1 26 26 LEU HD21 H 1 0.940 0.005 . 2 . . . . . 26 LEU HD2# . 51342 1 326 . 1 . 1 26 26 LEU HD22 H 1 0.940 0.005 . 2 . . . . . 26 LEU HD2# . 51342 1 327 . 1 . 1 26 26 LEU HD23 H 1 0.940 0.005 . 2 . . . . . 26 LEU HD2# . 51342 1 328 . 1 . 1 26 26 LEU C C 13 179.720 0.050 . 1 . . . . . 26 LEU C . 51342 1 329 . 1 . 1 26 26 LEU CA C 13 57.850 0.050 . 1 . . . . . 26 LEU CA . 51342 1 330 . 1 . 1 26 26 LEU CB C 13 42.080 0.050 . 1 . . . . . 26 LEU CB . 51342 1 331 . 1 . 1 26 26 LEU CG C 13 27.070 0.050 . 1 . . . . . 26 LEU CG . 51342 1 332 . 1 . 1 26 26 LEU CD1 C 13 24.290 0.050 . 1 . . . . . 26 LEU CD1 . 51342 1 333 . 1 . 1 26 26 LEU CD2 C 13 24.560 0.050 . 1 . . . . . 26 LEU CD2 . 51342 1 334 . 1 . 1 26 26 LEU N N 15 116.550 0.050 . 1 . . . . . 26 LEU N . 51342 1 335 . 1 . 1 27 27 LYS H H 1 7.720 0.005 . 1 . . . . . 27 LYS HN . 51342 1 336 . 1 . 1 27 27 LYS HA H 1 4.120 0.005 . 1 . . . . . 27 LYS HA . 51342 1 337 . 1 . 1 27 27 LYS HB2 H 1 1.830 0.005 . 2 . . . . . 27 LYS HB1 . 51342 1 338 . 1 . 1 27 27 LYS HB3 H 1 1.840 0.005 . 2 . . . . . 27 LYS HB2 . 51342 1 339 . 1 . 1 27 27 LYS HG2 H 1 1.470 0.005 . 2 . . . . . 27 LYS HG1 . 51342 1 340 . 1 . 1 27 27 LYS HG3 H 1 1.470 0.005 . 2 . . . . . 27 LYS HG2 . 51342 1 341 . 1 . 1 27 27 LYS HD2 H 1 1.820 0.005 . 2 . . . . . 27 LYS HD1 . 51342 1 342 . 1 . 1 27 27 LYS HD3 H 1 1.840 0.005 . 2 . . . . . 27 LYS HD2 . 51342 1 343 . 1 . 1 27 27 LYS C C 13 178.640 0.050 . 1 . . . . . 27 LYS C . 51342 1 344 . 1 . 1 27 27 LYS CA C 13 58.430 0.050 . 1 . . . . . 27 LYS CA . 51342 1 345 . 1 . 1 27 27 LYS CB C 13 31.850 0.050 . 1 . . . . . 27 LYS CB . 51342 1 346 . 1 . 1 27 27 LYS CG C 13 25.750 0.050 . 1 . . . . . 27 LYS CG . 51342 1 347 . 1 . 1 27 27 LYS CD C 13 28.860 0.050 . 1 . . . . . 27 LYS CD . 51342 1 348 . 1 . 1 27 27 LYS N N 15 120.360 0.050 . 1 . . . . . 27 LYS N . 51342 1 349 . 1 . 1 28 28 ALA H H 1 8.690 0.005 . 1 . . . . . 28 ALA HN . 51342 1 350 . 1 . 1 28 28 ALA HA H 1 3.900 0.005 . 1 . . . . . 28 ALA HA . 51342 1 351 . 1 . 1 28 28 ALA HB1 H 1 1.510 0.005 . 1 . . . . . 28 ALA HB# . 51342 1 352 . 1 . 1 28 28 ALA HB2 H 1 1.510 0.005 . 1 . . . . . 28 ALA HB# . 51342 1 353 . 1 . 1 28 28 ALA HB3 H 1 1.510 0.005 . 1 . . . . . 28 ALA HB# . 51342 1 354 . 1 . 1 28 28 ALA C C 13 178.670 0.050 . 1 . . . . . 28 ALA C . 51342 1 355 . 1 . 1 28 28 ALA CA C 13 55.080 0.050 . 1 . . . . . 28 ALA CA . 51342 1 356 . 1 . 1 28 28 ALA CB C 13 19.900 0.050 . 1 . . . . . 28 ALA CB . 51342 1 357 . 1 . 1 28 28 ALA N N 15 120.800 0.050 . 1 . . . . . 28 ALA N . 51342 1 358 . 1 . 1 29 29 ALA H H 1 8.200 0.005 . 1 . . . . . 29 ALA HN . 51342 1 359 . 1 . 1 29 29 ALA HA H 1 3.850 0.005 . 1 . . . . . 29 ALA HA . 51342 1 360 . 1 . 1 29 29 ALA HB1 H 1 1.510 0.005 . 1 . . . . . 29 ALA HB# . 51342 1 361 . 1 . 1 29 29 ALA HB2 H 1 1.510 0.005 . 1 . . . . . 29 ALA HB# . 51342 1 362 . 1 . 1 29 29 ALA HB3 H 1 1.510 0.005 . 1 . . . . . 29 ALA HB# . 51342 1 363 . 1 . 1 29 29 ALA C C 13 177.930 0.050 . 1 . . . . . 29 ALA C . 51342 1 364 . 1 . 1 29 29 ALA CA C 13 54.840 0.050 . 1 . . . . . 29 ALA CA . 51342 1 365 . 1 . 1 29 29 ALA CB C 13 18.510 0.050 . 1 . . . . . 29 ALA CB . 51342 1 366 . 1 . 1 29 29 ALA N N 15 117.510 0.050 . 1 . . . . . 29 ALA N . 51342 1 367 . 1 . 1 30 30 GLN H H 1 7.650 0.005 . 1 . . . . . 30 GLN HN . 51342 1 368 . 1 . 1 30 30 GLN HA H 1 3.850 0.005 . 1 . . . . . 30 GLN HA . 51342 1 369 . 1 . 1 30 30 GLN HB2 H 1 2.250 0.005 . 2 . . . . . 30 GLN HB1 . 51342 1 370 . 1 . 1 30 30 GLN HB3 H 1 2.260 0.005 . 2 . . . . . 30 GLN HB2 . 51342 1 371 . 1 . 1 30 30 GLN HG2 H 1 2.380 0.005 . 2 . . . . . 30 GLN HG1 . 51342 1 372 . 1 . 1 30 30 GLN HG3 H 1 2.620 0.005 . 2 . . . . . 30 GLN HG2 . 51342 1 373 . 1 . 1 30 30 GLN HE21 H 1 6.830 0.005 . 2 . . . . . 30 GLN HE21 . 51342 1 374 . 1 . 1 30 30 GLN HE22 H 1 7.740 0.005 . 2 . . . . . 30 GLN HE22 . 51342 1 375 . 1 . 1 30 30 GLN C C 13 179.500 0.050 . 1 . . . . . 30 GLN C . 51342 1 376 . 1 . 1 30 30 GLN CA C 13 59.170 0.050 . 1 . . . . . 30 GLN CA . 51342 1 377 . 1 . 1 30 30 GLN CB C 13 28.040 0.050 . 1 . . . . . 30 GLN CB . 51342 1 378 . 1 . 1 30 30 GLN CG C 13 33.910 0.050 . 1 . . . . . 30 GLN CG . 51342 1 379 . 1 . 1 30 30 GLN N N 15 114.880 0.050 . 1 . . . . . 30 GLN N . 51342 1 380 . 1 . 1 30 30 GLN NE2 N 15 112.210 0.050 . 1 . . . . . 30 GLN NE2 . 51342 1 381 . 1 . 1 31 31 LEU H H 1 7.960 0.005 . 1 . . . . . 31 LEU HN . 51342 1 382 . 1 . 1 31 31 LEU HA H 1 4.160 0.005 . 1 . . . . . 31 LEU HA . 51342 1 383 . 1 . 1 31 31 LEU HB2 H 1 1.260 0.005 . 2 . . . . . 31 LEU HB1 . 51342 1 384 . 1 . 1 31 31 LEU HB3 H 1 1.910 0.005 . 2 . . . . . 31 LEU HB2 . 51342 1 385 . 1 . 1 31 31 LEU HG H 1 0.830 0.005 . 1 . . . . . 31 LEU HG . 51342 1 386 . 1 . 1 31 31 LEU HD11 H 1 1.920 0.005 . 2 . . . . . 31 LEU HD1# . 51342 1 387 . 1 . 1 31 31 LEU HD12 H 1 1.920 0.005 . 2 . . . . . 31 LEU HD1# . 51342 1 388 . 1 . 1 31 31 LEU HD13 H 1 1.920 0.005 . 2 . . . . . 31 LEU HD1# . 51342 1 389 . 1 . 1 31 31 LEU HD21 H 1 0.240 0.005 . 2 . . . . . 31 LEU HD2# . 51342 1 390 . 1 . 1 31 31 LEU HD22 H 1 0.240 0.005 . 2 . . . . . 31 LEU HD2# . 51342 1 391 . 1 . 1 31 31 LEU HD23 H 1 0.240 0.005 . 2 . . . . . 31 LEU HD2# . 51342 1 392 . 1 . 1 31 31 LEU C C 13 180.480 0.050 . 1 . . . . . 31 LEU C . 51342 1 393 . 1 . 1 31 31 LEU CA C 13 58.060 0.050 . 1 . . . . . 31 LEU CA . 51342 1 394 . 1 . 1 31 31 LEU CB C 13 42.210 0.050 . 1 . . . . . 31 LEU CB . 51342 1 395 . 1 . 1 31 31 LEU CG C 13 26.580 0.050 . 1 . . . . . 31 LEU CG . 51342 1 396 . 1 . 1 31 31 LEU CD1 C 13 28.170 0.050 . 1 . . . . . 31 LEU CD1 . 51342 1 397 . 1 . 1 31 31 LEU CD2 C 13 26.630 0.050 . 1 . . . . . 31 LEU CD2 . 51342 1 398 . 1 . 1 31 31 LEU N N 15 116.890 0.050 . 1 . . . . . 31 LEU N . 51342 1 399 . 1 . 1 32 32 VAL H H 1 7.600 0.005 . 1 . . . . . 32 VAL HN . 51342 1 400 . 1 . 1 32 32 VAL HA H 1 4.170 0.005 . 1 . . . . . 32 VAL HA . 51342 1 401 . 1 . 1 32 32 VAL HB H 1 2.340 0.005 . 1 . . . . . 32 VAL HB . 51342 1 402 . 1 . 1 32 32 VAL HG11 H 1 0.760 0.005 . 2 . . . . . 32 VAL HG1# . 51342 1 403 . 1 . 1 32 32 VAL HG12 H 1 0.760 0.005 . 2 . . . . . 32 VAL HG1# . 51342 1 404 . 1 . 1 32 32 VAL HG13 H 1 0.760 0.005 . 2 . . . . . 32 VAL HG1# . 51342 1 405 . 1 . 1 32 32 VAL HG21 H 1 0.890 0.005 . 2 . . . . . 32 VAL HG2# . 51342 1 406 . 1 . 1 32 32 VAL HG22 H 1 0.890 0.005 . 2 . . . . . 32 VAL HG2# . 51342 1 407 . 1 . 1 32 32 VAL HG23 H 1 0.890 0.005 . 2 . . . . . 32 VAL HG2# . 51342 1 408 . 1 . 1 32 32 VAL C C 13 176.480 0.050 . 1 . . . . . 32 VAL C . 51342 1 409 . 1 . 1 32 32 VAL CA C 13 63.500 0.050 . 1 . . . . . 32 VAL CA . 51342 1 410 . 1 . 1 32 32 VAL CB C 13 31.070 0.050 . 1 . . . . . 32 VAL CB . 51342 1 411 . 1 . 1 32 32 VAL CG1 C 13 18.460 0.050 . 1 . . . . . 32 VAL CG1 . 51342 1 412 . 1 . 1 32 32 VAL CG2 C 13 21.110 0.050 . 1 . . . . . 32 VAL CG2 . 51342 1 413 . 1 . 1 32 32 VAL N N 15 109.050 0.050 . 1 . . . . . 32 VAL N . 51342 1 414 . 1 . 1 33 33 LEU H H 1 7.670 0.005 . 1 . . . . . 33 LEU HN . 51342 1 415 . 1 . 1 33 33 LEU HA H 1 4.160 0.005 . 1 . . . . . 33 LEU HA . 51342 1 416 . 1 . 1 33 33 LEU HB2 H 1 1.500 0.005 . 2 . . . . . 33 LEU HB1 . 51342 1 417 . 1 . 1 33 33 LEU HB3 H 1 1.820 0.005 . 2 . . . . . 33 LEU HB2 . 51342 1 418 . 1 . 1 33 33 LEU HG H 1 1.830 0.005 . 1 . . . . . 33 LEU HG . 51342 1 419 . 1 . 1 33 33 LEU HD11 H 1 0.490 0.005 . 2 . . . . . 33 LEU HD1# . 51342 1 420 . 1 . 1 33 33 LEU HD12 H 1 0.490 0.005 . 2 . . . . . 33 LEU HD1# . 51342 1 421 . 1 . 1 33 33 LEU HD13 H 1 0.490 0.005 . 2 . . . . . 33 LEU HD1# . 51342 1 422 . 1 . 1 33 33 LEU HD21 H 1 0.790 0.005 . 2 . . . . . 33 LEU HD2# . 51342 1 423 . 1 . 1 33 33 LEU HD22 H 1 0.790 0.005 . 2 . . . . . 33 LEU HD2# . 51342 1 424 . 1 . 1 33 33 LEU HD23 H 1 0.790 0.005 . 2 . . . . . 33 LEU HD2# . 51342 1 425 . 1 . 1 33 33 LEU C C 13 178.710 0.050 . 1 . . . . . 33 LEU C . 51342 1 426 . 1 . 1 33 33 LEU CA C 13 55.070 0.050 . 1 . . . . . 33 LEU CA . 51342 1 427 . 1 . 1 33 33 LEU CB C 13 41.650 0.050 . 1 . . . . . 33 LEU CB . 51342 1 428 . 1 . 1 33 33 LEU CG C 13 26.380 0.050 . 1 . . . . . 33 LEU CG . 51342 1 429 . 1 . 1 33 33 LEU CD1 C 13 21.760 0.050 . 1 . . . . . 33 LEU CD1 . 51342 1 430 . 1 . 1 33 33 LEU CD2 C 13 24.830 0.050 . 1 . . . . . 33 LEU CD2 . 51342 1 431 . 1 . 1 33 33 LEU N N 15 118.260 0.050 . 1 . . . . . 33 LEU N . 51342 1 432 . 1 . 1 34 34 GLU H H 1 7.130 0.005 . 1 . . . . . 34 GLU HN . 51342 1 433 . 1 . 1 34 34 GLU HA H 1 4.120 0.005 . 1 . . . . . 34 GLU HA . 51342 1 434 . 1 . 1 34 34 GLU HB2 H 1 2.080 0.005 . 2 . . . . . 34 GLU HB1 . 51342 1 435 . 1 . 1 34 34 GLU HB3 H 1 2.110 0.005 . 2 . . . . . 34 GLU HB2 . 51342 1 436 . 1 . 1 34 34 GLU HG2 H 1 2.370 0.005 . 2 . . . . . 34 GLU HG1 . 51342 1 437 . 1 . 1 34 34 GLU HG3 H 1 2.370 0.005 . 2 . . . . . 34 GLU HG2 . 51342 1 438 . 1 . 1 34 34 GLU C C 13 177.690 0.050 . 1 . . . . . 34 GLU C . 51342 1 439 . 1 . 1 34 34 GLU CA C 13 58.970 0.050 . 1 . . . . . 34 GLU CA . 51342 1 440 . 1 . 1 34 34 GLU CB C 13 29.080 0.050 . 1 . . . . . 34 GLU CB . 51342 1 441 . 1 . 1 34 34 GLU CG C 13 35.770 0.050 . 1 . . . . . 34 GLU CG . 51342 1 442 . 1 . 1 34 34 GLU N N 15 123.350 0.050 . 1 . . . . . 34 GLU N . 51342 1 443 . 1 . 1 35 35 GLY H H 1 8.950 0.005 . 1 . . . . . 35 GLY HN . 51342 1 444 . 1 . 1 35 35 GLY HA2 H 1 3.810 0.005 . 2 . . . . . 35 GLY HA1 . 51342 1 445 . 1 . 1 35 35 GLY HA3 H 1 4.130 0.005 . 2 . . . . . 35 GLY HA2 . 51342 1 446 . 1 . 1 35 35 GLY C C 13 175.450 0.050 . 1 . . . . . 35 GLY C . 51342 1 447 . 1 . 1 35 35 GLY CA C 13 44.960 0.050 . 1 . . . . . 35 GLY CA . 51342 1 448 . 1 . 1 35 35 GLY N N 15 112.790 0.050 . 1 . . . . . 35 GLY N . 51342 1 449 . 1 . 1 36 36 GLY H H 1 8.440 0.005 . 1 . . . . . 36 GLY HN . 51342 1 450 . 1 . 1 36 36 GLY HA2 H 1 3.940 0.005 . 2 . . . . . 36 GLY HA1 . 51342 1 451 . 1 . 1 36 36 GLY HA3 H 1 4.180 0.005 . 2 . . . . . 36 GLY HA2 . 51342 1 452 . 1 . 1 36 36 GLY C C 13 177.250 0.050 . 1 . . . . . 36 GLY C . 51342 1 453 . 1 . 1 36 36 GLY CA C 13 46.160 0.050 . 1 . . . . . 36 GLY CA . 51342 1 454 . 1 . 1 36 36 GLY N N 15 109.460 0.050 . 1 . . . . . 36 GLY N . 51342 1 455 . 1 . 1 37 37 THR H H 1 9.090 0.005 . 1 . . . . . 37 THR HN . 51342 1 456 . 1 . 1 37 37 THR HA H 1 3.700 0.005 . 1 . . . . . 37 THR HA . 51342 1 457 . 1 . 1 37 37 THR HB H 1 4.210 0.005 . 1 . . . . . 37 THR HB . 51342 1 458 . 1 . 1 37 37 THR HG21 H 1 1.190 0.005 . 1 . . . . . 37 THR HG2# . 51342 1 459 . 1 . 1 37 37 THR HG22 H 1 1.190 0.005 . 1 . . . . . 37 THR HG2# . 51342 1 460 . 1 . 1 37 37 THR HG23 H 1 1.190 0.005 . 1 . . . . . 37 THR HG2# . 51342 1 461 . 1 . 1 37 37 THR C C 13 176.940 0.050 . 1 . . . . . 37 THR C . 51342 1 462 . 1 . 1 37 37 THR CA C 13 65.110 0.050 . 1 . . . . . 37 THR CA . 51342 1 463 . 1 . 1 37 37 THR CB C 13 68.240 0.050 . 1 . . . . . 37 THR CB . 51342 1 464 . 1 . 1 37 37 THR CG2 C 13 22.190 0.050 . 1 . . . . . 37 THR CG2 . 51342 1 465 . 1 . 1 37 37 THR N N 15 119.730 0.050 . 1 . . . . . 37 THR N . 51342 1 466 . 1 . 1 38 38 GLY H H 1 8.430 0.005 . 1 . . . . . 38 GLY HN . 51342 1 467 . 1 . 1 38 38 GLY HA2 H 1 3.930 0.005 . 2 . . . . . 38 GLY HA1 . 51342 1 468 . 1 . 1 38 38 GLY HA3 H 1 4.060 0.005 . 2 . . . . . 38 GLY HA2 . 51342 1 469 . 1 . 1 38 38 GLY C C 13 175.010 0.050 . 1 . . . . . 38 GLY C . 51342 1 470 . 1 . 1 38 38 GLY CA C 13 46.190 0.050 . 1 . . . . . 38 GLY CA . 51342 1 471 . 1 . 1 38 38 GLY N N 15 109.760 0.050 . 1 . . . . . 38 GLY N . 51342 1 472 . 1 . 1 39 39 SER H H 1 7.310 0.005 . 1 . . . . . 39 SER HN . 51342 1 473 . 1 . 1 39 39 SER HA H 1 4.620 0.005 . 1 . . . . . 39 SER HA . 51342 1 474 . 1 . 1 39 39 SER HB2 H 1 3.100 0.005 . 2 . . . . . 39 SER HB1 . 51342 1 475 . 1 . 1 39 39 SER HB3 H 1 3.100 0.005 . 2 . . . . . 39 SER HB2 . 51342 1 476 . 1 . 1 39 39 SER C C 13 171.790 0.050 . 1 . . . . . 39 SER C . 51342 1 477 . 1 . 1 39 39 SER CA C 13 57.260 0.050 . 1 . . . . . 39 SER CA . 51342 1 478 . 1 . 1 39 39 SER CB C 13 64.180 0.050 . 1 . . . . . 39 SER CB . 51342 1 479 . 1 . 1 39 39 SER N N 15 116.310 0.050 . 1 . . . . . 39 SER N . 51342 1 480 . 1 . 1 40 40 HIS H H 1 7.120 0.005 . 1 . . . . . 40 HIS HN . 51342 1 481 . 1 . 1 40 40 HIS HA H 1 4.400 0.005 . 1 . . . . . 40 HIS HA . 51342 1 482 . 1 . 1 40 40 HIS HB2 H 1 3.100 0.005 . 2 . . . . . 40 HIS HB1 . 51342 1 483 . 1 . 1 40 40 HIS HB3 H 1 3.100 0.005 . 2 . . . . . 40 HIS HB2 . 51342 1 484 . 1 . 1 40 40 HIS HD2 H 1 7.120 0.005 . 1 . . . . . 40 HIS HD2 . 51342 1 485 . 1 . 1 40 40 HIS HE1 H 1 8.300 0.005 . 1 . . . . . 40 HIS HE1 . 51342 1 486 . 1 . 1 40 40 HIS C C 13 176.830 0.050 . 1 . . . . . 40 HIS C . 51342 1 487 . 1 . 1 40 40 HIS CA C 13 58.020 0.050 . 1 . . . . . 40 HIS CA . 51342 1 488 . 1 . 1 40 40 HIS CB C 13 31.340 0.050 . 1 . . . . . 40 HIS CB . 51342 1 489 . 1 . 1 40 40 HIS CD2 C 13 120.040 0.050 . 1 . . . . . 40 HIS CD2 . 51342 1 490 . 1 . 1 40 40 HIS CE1 C 13 137.250 0.050 . 1 . . . . . 40 HIS CE1 . 51342 1 491 . 1 . 1 40 40 HIS N N 15 121.220 0.050 . 1 . . . . . 40 HIS N . 51342 1 492 . 1 . 1 41 41 GLY H H 1 9.580 0.005 . 1 . . . . . 41 GLY HN . 51342 1 493 . 1 . 1 41 41 GLY HA2 H 1 3.520 0.005 . 2 . . . . . 41 GLY HA1 . 51342 1 494 . 1 . 1 41 41 GLY HA3 H 1 4.570 0.005 . 2 . . . . . 41 GLY HA2 . 51342 1 495 . 1 . 1 41 41 GLY C C 13 174.740 0.050 . 1 . . . . . 41 GLY C . 51342 1 496 . 1 . 1 41 41 GLY CA C 13 45.870 0.050 . 1 . . . . . 41 GLY CA . 51342 1 497 . 1 . 1 41 41 GLY N N 15 116.090 0.050 . 1 . . . . . 41 GLY N . 51342 1 498 . 1 . 1 42 42 VAL H H 1 8.470 0.005 . 1 . . . . . 42 VAL HN . 51342 1 499 . 1 . 1 42 42 VAL HA H 1 5.180 0.005 . 1 . . . . . 42 VAL HA . 51342 1 500 . 1 . 1 42 42 VAL HB H 1 2.370 0.005 . 1 . . . . . 42 VAL HB . 51342 1 501 . 1 . 1 42 42 VAL HG11 H 1 1.010 0.005 . 2 . . . . . 42 VAL HG1# . 51342 1 502 . 1 . 1 42 42 VAL HG12 H 1 1.010 0.005 . 2 . . . . . 42 VAL HG1# . 51342 1 503 . 1 . 1 42 42 VAL HG13 H 1 1.010 0.005 . 2 . . . . . 42 VAL HG1# . 51342 1 504 . 1 . 1 42 42 VAL HG21 H 1 1.020 0.005 . 2 . . . . . 42 VAL HG2# . 51342 1 505 . 1 . 1 42 42 VAL HG22 H 1 1.020 0.005 . 2 . . . . . 42 VAL HG2# . 51342 1 506 . 1 . 1 42 42 VAL HG23 H 1 1.020 0.005 . 2 . . . . . 42 VAL HG2# . 51342 1 507 . 1 . 1 42 42 VAL C C 13 176.370 0.050 . 1 . . . . . 42 VAL C . 51342 1 508 . 1 . 1 42 42 VAL CA C 13 62.800 0.050 . 1 . . . . . 42 VAL CA . 51342 1 509 . 1 . 1 42 42 VAL CB C 13 31.520 0.050 . 1 . . . . . 42 VAL CB . 51342 1 510 . 1 . 1 42 42 VAL CG1 C 13 22.720 0.050 . 1 . . . . . 42 VAL CG1 . 51342 1 511 . 1 . 1 42 42 VAL CG2 C 13 22.720 0.050 . 1 . . . . . 42 VAL CG2 . 51342 1 512 . 1 . 1 42 42 VAL N N 15 123.350 0.050 . 1 . . . . . 42 VAL N . 51342 1 513 . 1 . 1 43 43 PHE H H 1 8.480 0.005 . 1 . . . . . 43 PHE HN . 51342 1 514 . 1 . 1 43 43 PHE HA H 1 6.250 0.005 . 1 . . . . . 43 PHE HA . 51342 1 515 . 1 . 1 43 43 PHE HB2 H 1 2.880 0.005 . 2 . . . . . 43 PHE HB1 . 51342 1 516 . 1 . 1 43 43 PHE HB3 H 1 3.240 0.005 . 2 . . . . . 43 PHE HB2 . 51342 1 517 . 1 . 1 43 43 PHE C C 13 172.670 0.050 . 1 . . . . . 43 PHE C . 51342 1 518 . 1 . 1 43 43 PHE CA C 13 55.640 0.050 . 1 . . . . . 43 PHE CA . 51342 1 519 . 1 . 1 43 43 PHE CB C 13 45.830 0.050 . 1 . . . . . 43 PHE CB . 51342 1 520 . 1 . 1 43 43 PHE N N 15 121.350 0.050 . 1 . . . . . 43 PHE N . 51342 1 521 . 1 . 1 44 44 LEU H H 1 9.380 0.005 . 1 . . . . . 44 LEU HN . 51342 1 522 . 1 . 1 44 44 LEU HA H 1 4.750 0.005 . 1 . . . . . 44 LEU HA . 51342 1 523 . 1 . 1 44 44 LEU HB2 H 1 1.980 0.005 . 2 . . . . . 44 LEU HB1 . 51342 1 524 . 1 . 1 44 44 LEU HB3 H 1 1.710 0.005 . 2 . . . . . 44 LEU HB2 . 51342 1 525 . 1 . 1 44 44 LEU HG H 1 1.620 0.005 . 1 . . . . . 44 LEU HG . 51342 1 526 . 1 . 1 44 44 LEU HD11 H 1 0.240 0.005 . 2 . . . . . 44 LEU HD1# . 51342 1 527 . 1 . 1 44 44 LEU HD12 H 1 0.240 0.005 . 2 . . . . . 44 LEU HD1# . 51342 1 528 . 1 . 1 44 44 LEU HD13 H 1 0.240 0.005 . 2 . . . . . 44 LEU HD1# . 51342 1 529 . 1 . 1 44 44 LEU HD21 H 1 0.750 0.005 . 2 . . . . . 44 LEU HD2# . 51342 1 530 . 1 . 1 44 44 LEU HD22 H 1 0.750 0.005 . 2 . . . . . 44 LEU HD2# . 51342 1 531 . 1 . 1 44 44 LEU HD23 H 1 0.750 0.005 . 2 . . . . . 44 LEU HD2# . 51342 1 532 . 1 . 1 44 44 LEU C C 13 174.860 0.050 . 1 . . . . . 44 LEU C . 51342 1 533 . 1 . 1 44 44 LEU CA C 13 55.560 0.050 . 1 . . . . . 44 LEU CA . 51342 1 534 . 1 . 1 44 44 LEU CB C 13 44.540 0.050 . 1 . . . . . 44 LEU CB . 51342 1 535 . 1 . 1 44 44 LEU CG C 13 24.930 0.050 . 1 . . . . . 44 LEU CG . 51342 1 536 . 1 . 1 44 44 LEU CD1 C 13 28.150 0.050 . 1 . . . . . 44 LEU CD1 . 51342 1 537 . 1 . 1 44 44 LEU CD2 C 13 25.130 0.050 . 1 . . . . . 44 LEU CD2 . 51342 1 538 . 1 . 1 44 44 LEU N N 15 113.380 0.050 . 1 . . . . . 44 LEU N . 51342 1 539 . 1 . 1 45 45 VAL H H 1 9.190 0.005 . 1 . . . . . 45 VAL HN . 51342 1 540 . 1 . 1 45 45 VAL HA H 1 5.660 0.005 . 1 . . . . . 45 VAL HA . 51342 1 541 . 1 . 1 45 45 VAL HB H 1 2.630 0.005 . 1 . . . . . 45 VAL HB . 51342 1 542 . 1 . 1 45 45 VAL HG11 H 1 1.400 0.005 . 2 . . . . . 45 VAL HG1# . 51342 1 543 . 1 . 1 45 45 VAL HG12 H 1 1.400 0.005 . 2 . . . . . 45 VAL HG1# . 51342 1 544 . 1 . 1 45 45 VAL HG13 H 1 1.400 0.005 . 2 . . . . . 45 VAL HG1# . 51342 1 545 . 1 . 1 45 45 VAL HG21 H 1 1.110 0.005 . 2 . . . . . 45 VAL HG2# . 51342 1 546 . 1 . 1 45 45 VAL HG22 H 1 1.110 0.005 . 2 . . . . . 45 VAL HG2# . 51342 1 547 . 1 . 1 45 45 VAL HG23 H 1 1.110 0.005 . 2 . . . . . 45 VAL HG2# . 51342 1 548 . 1 . 1 45 45 VAL C C 13 173.330 0.050 . 1 . . . . . 45 VAL C . 51342 1 549 . 1 . 1 45 45 VAL CA C 13 61.250 0.050 . 1 . . . . . 45 VAL CA . 51342 1 550 . 1 . 1 45 45 VAL CB C 13 34.380 0.050 . 1 . . . . . 45 VAL CB . 51342 1 551 . 1 . 1 45 45 VAL CG1 C 13 21.990 0.050 . 1 . . . . . 45 VAL CG1 . 51342 1 552 . 1 . 1 45 45 VAL CG2 C 13 22.700 0.050 . 1 . . . . . 45 VAL CG2 . 51342 1 553 . 1 . 1 45 45 VAL N N 15 119.820 0.050 . 1 . . . . . 45 VAL N . 51342 1 554 . 1 . 1 46 46 ARG H H 1 9.480 0.005 . 1 . . . . . 46 ARG HN . 51342 1 555 . 1 . 1 46 46 ARG HA H 1 5.160 0.005 . 1 . . . . . 46 ARG HA . 51342 1 556 . 1 . 1 46 46 ARG HB2 H 1 1.400 0.005 . 2 . . . . . 46 ARG HB1 . 51342 1 557 . 1 . 1 46 46 ARG HB3 H 1 1.350 0.005 . 2 . . . . . 46 ARG HB2 . 51342 1 558 . 1 . 1 46 46 ARG HG2 H 1 0.740 0.005 . 2 . . . . . 46 ARG HG1 . 51342 1 559 . 1 . 1 46 46 ARG HG3 H 1 0.730 0.005 . 2 . . . . . 46 ARG HG2 . 51342 1 560 . 1 . 1 46 46 ARG HD2 H 1 2.870 0.005 . 2 . . . . . 46 ARG HD1 . 51342 1 561 . 1 . 1 46 46 ARG HD3 H 1 2.690 0.005 . 2 . . . . . 46 ARG HD2 . 51342 1 562 . 1 . 1 46 46 ARG HE H 1 7.000 0.005 . 1 . . . . . 46 ARG HE . 51342 1 563 . 1 . 1 46 46 ARG C C 13 173.280 0.050 . 1 . . . . . 46 ARG C . 51342 1 564 . 1 . 1 46 46 ARG CA C 13 53.360 0.050 . 1 . . . . . 46 ARG CA . 51342 1 565 . 1 . 1 46 46 ARG CB C 13 34.240 0.050 . 1 . . . . . 46 ARG CB . 51342 1 566 . 1 . 1 46 46 ARG CG C 13 26.800 0.050 . 1 . . . . . 46 ARG CG . 51342 1 567 . 1 . 1 46 46 ARG CD C 13 43.200 0.050 . 1 . . . . . 46 ARG CD . 51342 1 568 . 1 . 1 46 46 ARG N N 15 123.880 0.050 . 1 . . . . . 46 ARG N . 51342 1 569 . 1 . 1 46 46 ARG NE N 15 84.580 0.050 . 1 . . . . . 46 ARG NE . 51342 1 570 . 1 . 1 47 47 GLN H H 1 8.810 0.005 . 1 . . . . . 47 GLN HN . 51342 1 571 . 1 . 1 47 47 GLN HA H 1 4.560 0.005 . 1 . . . . . 47 GLN HA . 51342 1 572 . 1 . 1 47 47 GLN HB2 H 1 1.920 0.005 . 2 . . . . . 47 GLN HB1 . 51342 1 573 . 1 . 1 47 47 GLN HB3 H 1 2.170 0.005 . 2 . . . . . 47 GLN HB2 . 51342 1 574 . 1 . 1 47 47 GLN HG2 H 1 2.200 0.005 . 2 . . . . . 47 GLN HG1 . 51342 1 575 . 1 . 1 47 47 GLN HG3 H 1 2.480 0.005 . 2 . . . . . 47 GLN HG2 . 51342 1 576 . 1 . 1 47 47 GLN HE21 H 1 7.340 0.005 . 2 . . . . . 47 GLN HE21 . 51342 1 577 . 1 . 1 47 47 GLN HE22 H 1 6.910 0.005 . 2 . . . . . 47 GLN HE22 . 51342 1 578 . 1 . 1 47 47 GLN C C 13 175.180 0.050 . 1 . . . . . 47 GLN C . 51342 1 579 . 1 . 1 47 47 GLN CA C 13 56.240 0.050 . 1 . . . . . 47 GLN CA . 51342 1 580 . 1 . 1 47 47 GLN CB C 13 31.140 0.050 . 1 . . . . . 47 GLN CB . 51342 1 581 . 1 . 1 47 47 GLN CG C 13 36.180 0.050 . 1 . . . . . 47 GLN CG . 51342 1 582 . 1 . 1 47 47 GLN N N 15 120.600 0.050 . 1 . . . . . 47 GLN N . 51342 1 583 . 1 . 1 47 47 GLN NE2 N 15 109.950 0.050 . 1 . . . . . 47 GLN NE2 . 51342 1 584 . 1 . 1 48 48 SER H H 1 7.750 0.005 . 1 . . . . . 48 SER HN . 51342 1 585 . 1 . 1 48 48 SER HA H 1 4.490 0.005 . 1 . . . . . 48 SER HA . 51342 1 586 . 1 . 1 48 48 SER HB2 H 1 3.850 0.005 . 2 . . . . . 48 SER HB1 . 51342 1 587 . 1 . 1 48 48 SER HB3 H 1 3.650 0.005 . 2 . . . . . 48 SER HB2 . 51342 1 588 . 1 . 1 48 48 SER C C 13 176.060 0.050 . 1 . . . . . 48 SER C . 51342 1 589 . 1 . 1 48 48 SER CA C 13 57.390 0.050 . 1 . . . . . 48 SER CA . 51342 1 590 . 1 . 1 48 48 SER CB C 13 63.680 0.050 . 1 . . . . . 48 SER CB . 51342 1 591 . 1 . 1 48 48 SER N N 15 114.910 0.050 . 1 . . . . . 48 SER N . 51342 1 592 . 1 . 1 49 49 GLU H H 1 10.460 0.005 . 1 . . . . . 49 GLU HN . 51342 1 593 . 1 . 1 49 49 GLU HA H 1 4.300 0.005 . 1 . . . . . 49 GLU HA . 51342 1 594 . 1 . 1 49 49 GLU HB2 H 1 2.130 0.005 . 2 . . . . . 49 GLU HB1 . 51342 1 595 . 1 . 1 49 49 GLU HB3 H 1 2.160 0.005 . 2 . . . . . 49 GLU HB2 . 51342 1 596 . 1 . 1 49 49 GLU HG2 H 1 2.150 0.005 . 2 . . . . . 49 GLU HG1 . 51342 1 597 . 1 . 1 49 49 GLU HG3 H 1 2.400 0.005 . 2 . . . . . 49 GLU HG2 . 51342 1 598 . 1 . 1 49 49 GLU C C 13 177.970 0.050 . 1 . . . . . 49 GLU C . 51342 1 599 . 1 . 1 49 49 GLU CA C 13 57.930 0.050 . 1 . . . . . 49 GLU CA . 51342 1 600 . 1 . 1 49 49 GLU CB C 13 31.290 0.050 . 1 . . . . . 49 GLU CB . 51342 1 601 . 1 . 1 49 49 GLU CG C 13 36.880 0.050 . 1 . . . . . 49 GLU CG . 51342 1 602 . 1 . 1 49 49 GLU N N 15 129.080 0.050 . 1 . . . . . 49 GLU N . 51342 1 603 . 1 . 1 50 50 THR H H 1 8.150 0.005 . 1 . . . . . 50 THR HN . 51342 1 604 . 1 . 1 50 50 THR HA H 1 4.300 0.005 . 1 . . . . . 50 THR HA . 51342 1 605 . 1 . 1 50 50 THR HB H 1 4.120 0.005 . 1 . . . . . 50 THR HB . 51342 1 606 . 1 . 1 50 50 THR HG21 H 1 1.250 0.005 . 1 . . . . . 50 THR HG2# . 51342 1 607 . 1 . 1 50 50 THR HG22 H 1 1.250 0.005 . 1 . . . . . 50 THR HG2# . 51342 1 608 . 1 . 1 50 50 THR HG23 H 1 1.250 0.005 . 1 . . . . . 50 THR HG2# . 51342 1 609 . 1 . 1 50 50 THR C C 13 175.280 0.050 . 1 . . . . . 50 THR C . 51342 1 610 . 1 . 1 50 50 THR CA C 13 63.230 0.050 . 1 . . . . . 50 THR CA . 51342 1 611 . 1 . 1 50 50 THR CB C 13 70.340 0.050 . 1 . . . . . 50 THR CB . 51342 1 612 . 1 . 1 50 50 THR CG2 C 13 22.160 0.050 . 1 . . . . . 50 THR CG2 . 51342 1 613 . 1 . 1 50 50 THR N N 15 109.690 0.050 . 1 . . . . . 50 THR N . 51342 1 614 . 1 . 1 51 51 ARG H H 1 8.180 0.005 . 1 . . . . . 51 ARG HN . 51342 1 615 . 1 . 1 51 51 ARG HA H 1 4.540 0.005 . 1 . . . . . 51 ARG HA . 51342 1 616 . 1 . 1 51 51 ARG HB2 H 1 1.520 0.005 . 2 . . . . . 51 ARG HB1 . 51342 1 617 . 1 . 1 51 51 ARG HB3 H 1 1.690 0.005 . 2 . . . . . 51 ARG HB2 . 51342 1 618 . 1 . 1 51 51 ARG HG2 H 1 1.500 0.005 . 2 . . . . . 51 ARG HG1 . 51342 1 619 . 1 . 1 51 51 ARG HG3 H 1 1.510 0.005 . 2 . . . . . 51 ARG HG2 . 51342 1 620 . 1 . 1 51 51 ARG HD2 H 1 3.130 0.005 . 2 . . . . . 51 ARG HD1 . 51342 1 621 . 1 . 1 51 51 ARG HD3 H 1 3.130 0.005 . 2 . . . . . 51 ARG HD2 . 51342 1 622 . 1 . 1 51 51 ARG HE H 1 7.430 0.005 . 1 . . . . . 51 ARG HE . 51342 1 623 . 1 . 1 51 51 ARG C C 13 174.950 0.050 . 1 . . . . . 51 ARG C . 51342 1 624 . 1 . 1 51 51 ARG CA C 13 54.560 0.050 . 1 . . . . . 51 ARG CA . 51342 1 625 . 1 . 1 51 51 ARG CB C 13 29.480 0.050 . 1 . . . . . 51 ARG CB . 51342 1 626 . 1 . 1 51 51 ARG CG C 13 26.870 0.050 . 1 . . . . . 51 ARG CG . 51342 1 627 . 1 . 1 51 51 ARG CD C 13 43.270 0.050 . 1 . . . . . 51 ARG CD . 51342 1 628 . 1 . 1 51 51 ARG N N 15 124.860 0.050 . 1 . . . . . 51 ARG N . 51342 1 629 . 1 . 1 51 51 ARG NE N 15 85.020 0.050 . 1 . . . . . 51 ARG NE . 51342 1 630 . 1 . 1 52 52 ARG H H 1 8.290 0.005 . 1 . . . . . 52 ARG HN . 51342 1 631 . 1 . 1 52 52 ARG HA H 1 4.090 0.005 . 1 . . . . . 52 ARG HA . 51342 1 632 . 1 . 1 52 52 ARG HB2 H 1 1.800 0.005 . 2 . . . . . 52 ARG HB1 . 51342 1 633 . 1 . 1 52 52 ARG HB3 H 1 1.800 0.005 . 2 . . . . . 52 ARG HB2 . 51342 1 634 . 1 . 1 52 52 ARG HG2 H 1 1.710 0.005 . 2 . . . . . 52 ARG HG1 . 51342 1 635 . 1 . 1 52 52 ARG HG3 H 1 1.710 0.005 . 2 . . . . . 52 ARG HG2 . 51342 1 636 . 1 . 1 52 52 ARG HD2 H 1 3.240 0.005 . 2 . . . . . 52 ARG HD1 . 51342 1 637 . 1 . 1 52 52 ARG HD3 H 1 3.240 0.005 . 2 . . . . . 52 ARG HD2 . 51342 1 638 . 1 . 1 52 52 ARG HE H 1 7.860 0.005 . 1 . . . . . 52 ARG HE . 51342 1 639 . 1 . 1 52 52 ARG C C 13 178.030 0.050 . 1 . . . . . 52 ARG C . 51342 1 640 . 1 . 1 52 52 ARG CA C 13 57.950 0.050 . 1 . . . . . 52 ARG CA . 51342 1 641 . 1 . 1 52 52 ARG CB C 13 29.540 0.050 . 1 . . . . . 52 ARG CB . 51342 1 642 . 1 . 1 52 52 ARG CG C 13 27.000 0.050 . 1 . . . . . 52 ARG CG . 51342 1 643 . 1 . 1 52 52 ARG CD C 13 43.240 0.050 . 1 . . . . . 52 ARG CD . 51342 1 644 . 1 . 1 52 52 ARG N N 15 123.370 0.050 . 1 . . . . . 52 ARG N . 51342 1 645 . 1 . 1 52 52 ARG NE N 15 84.350 0.050 . 1 . . . . . 52 ARG NE . 51342 1 646 . 1 . 1 53 53 GLY H H 1 8.850 0.005 . 1 . . . . . 53 GLY HN . 51342 1 647 . 1 . 1 53 53 GLY HA2 H 1 3.790 0.005 . 2 . . . . . 53 GLY HA1 . 51342 1 648 . 1 . 1 53 53 GLY HA3 H 1 4.280 0.005 . 2 . . . . . 53 GLY HA2 . 51342 1 649 . 1 . 1 53 53 GLY C C 13 173.880 0.050 . 1 . . . . . 53 GLY C . 51342 1 650 . 1 . 1 53 53 GLY CA C 13 45.420 0.050 . 1 . . . . . 53 GLY CA . 51342 1 651 . 1 . 1 53 53 GLY N N 15 113.030 0.050 . 1 . . . . . 53 GLY N . 51342 1 652 . 1 . 1 54 54 GLU H H 1 7.820 0.005 . 1 . . . . . 54 GLU HN . 51342 1 653 . 1 . 1 54 54 GLU HA H 1 4.850 0.005 . 1 . . . . . 54 GLU HA . 51342 1 654 . 1 . 1 54 54 GLU HB2 H 1 2.070 0.005 . 2 . . . . . 54 GLU HB1 . 51342 1 655 . 1 . 1 54 54 GLU HB3 H 1 2.470 0.005 . 2 . . . . . 54 GLU HB2 . 51342 1 656 . 1 . 1 54 54 GLU HG2 H 1 2.280 0.005 . 2 . . . . . 54 GLU HG1 . 51342 1 657 . 1 . 1 54 54 GLU HG3 H 1 2.380 0.005 . 2 . . . . . 54 GLU HG2 . 51342 1 658 . 1 . 1 54 54 GLU C C 13 175.830 0.050 . 1 . . . . . 54 GLU C . 51342 1 659 . 1 . 1 54 54 GLU CA C 13 55.600 0.050 . 1 . . . . . 54 GLU CA . 51342 1 660 . 1 . 1 54 54 GLU CB C 13 31.760 0.050 . 1 . . . . . 54 GLU CB . 51342 1 661 . 1 . 1 54 54 GLU CG C 13 36.970 0.050 . 1 . . . . . 54 GLU CG . 51342 1 662 . 1 . 1 54 54 GLU N N 15 118.550 0.050 . 1 . . . . . 54 GLU N . 51342 1 663 . 1 . 1 55 55 TYR H H 1 8.770 0.005 . 1 . . . . . 55 TYR HN . 51342 1 664 . 1 . 1 55 55 TYR HA H 1 5.330 0.005 . 1 . . . . . 55 TYR HA . 51342 1 665 . 1 . 1 55 55 TYR HB2 H 1 2.780 0.005 . 2 . . . . . 55 TYR HB1 . 51342 1 666 . 1 . 1 55 55 TYR HB3 H 1 3.140 0.005 . 2 . . . . . 55 TYR HB2 . 51342 1 667 . 1 . 1 55 55 TYR HD1 H 1 7.060 0.005 . 1 . . . . . 55 TYR HD . 51342 1 668 . 1 . 1 55 55 TYR HD2 H 1 7.060 0.005 . 1 . . . . . 55 TYR HD . 51342 1 669 . 1 . 1 55 55 TYR HE1 H 1 6.840 0.005 . 1 . . . . . 55 TYR HE . 51342 1 670 . 1 . 1 55 55 TYR HE2 H 1 6.840 0.005 . 1 . . . . . 55 TYR HE . 51342 1 671 . 1 . 1 55 55 TYR C C 13 174.520 0.050 . 1 . . . . . 55 TYR C . 51342 1 672 . 1 . 1 55 55 TYR CA C 13 56.910 0.050 . 1 . . . . . 55 TYR CA . 51342 1 673 . 1 . 1 55 55 TYR CB C 13 42.200 0.050 . 1 . . . . . 55 TYR CB . 51342 1 674 . 1 . 1 55 55 TYR CD1 C 13 132.540 0.050 . 1 . . . . . 55 TYR CD . 51342 1 675 . 1 . 1 55 55 TYR CD2 C 13 132.540 0.050 . 1 . . . . . 55 TYR CD . 51342 1 676 . 1 . 1 55 55 TYR CE1 C 13 118.300 0.050 . 1 . . . . . 55 TYR CE . 51342 1 677 . 1 . 1 55 55 TYR CE2 C 13 118.300 0.050 . 1 . . . . . 55 TYR CE . 51342 1 678 . 1 . 1 55 55 TYR N N 15 119.790 0.050 . 1 . . . . . 55 TYR N . 51342 1 679 . 1 . 1 56 56 VAL H H 1 9.640 0.005 . 1 . . . . . 56 VAL HN . 51342 1 680 . 1 . 1 56 56 VAL HA H 1 4.870 0.005 . 1 . . . . . 56 VAL HA . 51342 1 681 . 1 . 1 56 56 VAL HB H 1 1.790 0.005 . 1 . . . . . 56 VAL HB . 51342 1 682 . 1 . 1 56 56 VAL HG11 H 1 0.970 0.005 . 2 . . . . . 56 VAL HG1# . 51342 1 683 . 1 . 1 56 56 VAL HG12 H 1 0.970 0.005 . 2 . . . . . 56 VAL HG1# . 51342 1 684 . 1 . 1 56 56 VAL HG13 H 1 0.970 0.005 . 2 . . . . . 56 VAL HG1# . 51342 1 685 . 1 . 1 56 56 VAL HG21 H 1 1.090 0.005 . 2 . . . . . 56 VAL HG2# . 51342 1 686 . 1 . 1 56 56 VAL HG22 H 1 1.090 0.005 . 2 . . . . . 56 VAL HG2# . 51342 1 687 . 1 . 1 56 56 VAL HG23 H 1 1.090 0.005 . 2 . . . . . 56 VAL HG2# . 51342 1 688 . 1 . 1 56 56 VAL C C 13 174.160 0.050 . 1 . . . . . 56 VAL C . 51342 1 689 . 1 . 1 56 56 VAL CA C 13 61.580 0.050 . 1 . . . . . 56 VAL CA . 51342 1 690 . 1 . 1 56 56 VAL CB C 13 36.560 0.050 . 1 . . . . . 56 VAL CB . 51342 1 691 . 1 . 1 56 56 VAL CG1 C 13 21.710 0.050 . 1 . . . . . 56 VAL CG1 . 51342 1 692 . 1 . 1 56 56 VAL CG2 C 13 23.110 0.050 . 1 . . . . . 56 VAL CG2 . 51342 1 693 . 1 . 1 56 56 VAL N N 15 121.150 0.050 . 1 . . . . . 56 VAL N . 51342 1 694 . 1 . 1 57 57 LEU H H 1 9.370 0.005 . 1 . . . . . 57 LEU HN . 51342 1 695 . 1 . 1 57 57 LEU HA H 1 5.260 0.005 . 1 . . . . . 57 LEU HA . 51342 1 696 . 1 . 1 57 57 LEU HB2 H 1 1.300 0.005 . 2 . . . . . 57 LEU HB1 . 51342 1 697 . 1 . 1 57 57 LEU HB3 H 1 2.170 0.005 . 2 . . . . . 57 LEU HB2 . 51342 1 698 . 1 . 1 57 57 LEU HG H 1 1.610 0.005 . 1 . . . . . 57 LEU HG . 51342 1 699 . 1 . 1 57 57 LEU HD11 H 1 0.700 0.005 . 2 . . . . . 57 LEU HD1# . 51342 1 700 . 1 . 1 57 57 LEU HD12 H 1 0.700 0.005 . 2 . . . . . 57 LEU HD1# . 51342 1 701 . 1 . 1 57 57 LEU HD13 H 1 0.700 0.005 . 2 . . . . . 57 LEU HD1# . 51342 1 702 . 1 . 1 57 57 LEU HD21 H 1 0.620 0.005 . 2 . . . . . 57 LEU HD2# . 51342 1 703 . 1 . 1 57 57 LEU HD22 H 1 0.620 0.005 . 2 . . . . . 57 LEU HD2# . 51342 1 704 . 1 . 1 57 57 LEU HD23 H 1 0.620 0.005 . 2 . . . . . 57 LEU HD2# . 51342 1 705 . 1 . 1 57 57 LEU C C 13 174.970 0.050 . 1 . . . . . 57 LEU C . 51342 1 706 . 1 . 1 57 57 LEU CA C 13 53.830 0.050 . 1 . . . . . 57 LEU CA . 51342 1 707 . 1 . 1 57 57 LEU CB C 13 44.610 0.050 . 1 . . . . . 57 LEU CB . 51342 1 708 . 1 . 1 57 57 LEU CG C 13 28.170 0.050 . 1 . . . . . 57 LEU CG . 51342 1 709 . 1 . 1 57 57 LEU CD1 C 13 25.560 0.050 . 1 . . . . . 57 LEU CD1 . 51342 1 710 . 1 . 1 57 57 LEU CD2 C 13 25.870 0.050 . 1 . . . . . 57 LEU CD2 . 51342 1 711 . 1 . 1 57 57 LEU N N 15 129.420 0.050 . 1 . . . . . 57 LEU N . 51342 1 712 . 1 . 1 58 58 THR H H 1 9.080 0.005 . 1 . . . . . 58 THR HN . 51342 1 713 . 1 . 1 58 58 THR HA H 1 5.560 0.005 . 1 . . . . . 58 THR HA . 51342 1 714 . 1 . 1 58 58 THR HB H 1 3.660 0.005 . 1 . . . . . 58 THR HB . 51342 1 715 . 1 . 1 58 58 THR HG21 H 1 0.970 0.005 . 1 . . . . . 58 THR HG2# . 51342 1 716 . 1 . 1 58 58 THR HG22 H 1 0.970 0.005 . 1 . . . . . 58 THR HG2# . 51342 1 717 . 1 . 1 58 58 THR HG23 H 1 0.970 0.005 . 1 . . . . . 58 THR HG2# . 51342 1 718 . 1 . 1 58 58 THR C C 13 173.520 0.050 . 1 . . . . . 58 THR C . 51342 1 719 . 1 . 1 58 58 THR CA C 13 62.780 0.050 . 1 . . . . . 58 THR CA . 51342 1 720 . 1 . 1 58 58 THR CB C 13 71.790 0.050 . 1 . . . . . 58 THR CB . 51342 1 721 . 1 . 1 58 58 THR CG2 C 13 22.690 0.050 . 1 . . . . . 58 THR CG2 . 51342 1 722 . 1 . 1 58 58 THR N N 15 128.440 0.050 . 1 . . . . . 58 THR N . 51342 1 723 . 1 . 1 59 59 PHE H H 1 8.940 0.005 . 1 . . . . . 59 PHE HN . 51342 1 724 . 1 . 1 59 59 PHE HA H 1 5.880 0.005 . 1 . . . . . 59 PHE HA . 51342 1 725 . 1 . 1 59 59 PHE HB2 H 1 2.840 0.005 . 2 . . . . . 59 PHE HB1 . 51342 1 726 . 1 . 1 59 59 PHE HB3 H 1 2.860 0.005 . 2 . . . . . 59 PHE HB2 . 51342 1 727 . 1 . 1 59 59 PHE HD1 H 1 6.850 0.005 . 1 . . . . . 59 PHE HD . 51342 1 728 . 1 . 1 59 59 PHE HD2 H 1 6.850 0.005 . 1 . . . . . 59 PHE HD . 51342 1 729 . 1 . 1 59 59 PHE HE1 H 1 6.850 0.005 . 1 . . . . . 59 PHE HE . 51342 1 730 . 1 . 1 59 59 PHE HE2 H 1 6.850 0.005 . 1 . . . . . 59 PHE HE . 51342 1 731 . 1 . 1 59 59 PHE HZ H 1 6.850 0.005 . 1 . . . . . 59 PHE HZ . 51342 1 732 . 1 . 1 59 59 PHE C C 13 171.850 0.050 . 1 . . . . . 59 PHE C . 51342 1 733 . 1 . 1 59 59 PHE CA C 13 55.320 0.050 . 1 . . . . . 59 PHE CA . 51342 1 734 . 1 . 1 59 59 PHE CB C 13 42.360 0.050 . 1 . . . . . 59 PHE CB . 51342 1 735 . 1 . 1 59 59 PHE CD1 C 13 132.090 0.050 . 1 . . . . . 59 PHE CD . 51342 1 736 . 1 . 1 59 59 PHE CD2 C 13 132.090 0.050 . 1 . . . . . 59 PHE CD . 51342 1 737 . 1 . 1 59 59 PHE CE1 C 13 132.110 0.050 . 1 . . . . . 59 PHE CE . 51342 1 738 . 1 . 1 59 59 PHE CE2 C 13 132.110 0.050 . 1 . . . . . 59 PHE CE . 51342 1 739 . 1 . 1 59 59 PHE CZ C 13 128.920 0.050 . 1 . . . . . 59 PHE CZ . 51342 1 740 . 1 . 1 59 59 PHE N N 15 121.050 0.050 . 1 . . . . . 59 PHE N . 51342 1 741 . 1 . 1 60 60 ASN H H 1 8.460 0.005 . 1 . . . . . 60 ASN HN . 51342 1 742 . 1 . 1 60 60 ASN HA H 1 4.430 0.005 . 1 . . . . . 60 ASN HA . 51342 1 743 . 1 . 1 60 60 ASN HB2 H 1 2.400 0.005 . 2 . . . . . 60 ASN HB1 . 51342 1 744 . 1 . 1 60 60 ASN HB3 H 1 3.460 0.005 . 2 . . . . . 60 ASN HB2 . 51342 1 745 . 1 . 1 60 60 ASN HD21 H 1 7.450 0.005 . 2 . . . . . 60 ASN HD21 . 51342 1 746 . 1 . 1 60 60 ASN HD22 H 1 6.900 0.005 . 2 . . . . . 60 ASN HD22 . 51342 1 747 . 1 . 1 60 60 ASN C C 13 174.110 0.050 . 1 . . . . . 60 ASN C . 51342 1 748 . 1 . 1 60 60 ASN CA C 13 52.000 0.050 . 1 . . . . . 60 ASN CA . 51342 1 749 . 1 . 1 60 60 ASN CB C 13 39.040 0.050 . 1 . . . . . 60 ASN CB . 51342 1 750 . 1 . 1 60 60 ASN N N 15 119.470 0.050 . 1 . . . . . 60 ASN N . 51342 1 751 . 1 . 1 60 60 ASN ND2 N 15 110.720 0.050 . 1 . . . . . 60 ASN ND2 . 51342 1 752 . 1 . 1 61 61 PHE H H 1 9.300 0.005 . 1 . . . . . 61 PHE HN . 51342 1 753 . 1 . 1 61 61 PHE HA H 1 5.210 0.005 . 1 . . . . . 61 PHE HA . 51342 1 754 . 1 . 1 61 61 PHE HB2 H 1 2.690 0.005 . 2 . . . . . 61 PHE HB1 . 51342 1 755 . 1 . 1 61 61 PHE HB3 H 1 3.020 0.005 . 2 . . . . . 61 PHE HB2 . 51342 1 756 . 1 . 1 61 61 PHE HD1 H 1 7.170 0.005 . 1 . . . . . 61 PHE HD . 51342 1 757 . 1 . 1 61 61 PHE HD2 H 1 7.170 0.005 . 1 . . . . . 61 PHE HD . 51342 1 758 . 1 . 1 61 61 PHE HE1 H 1 6.930 0.005 . 1 . . . . . 61 PHE HE . 51342 1 759 . 1 . 1 61 61 PHE HE2 H 1 6.930 0.005 . 1 . . . . . 61 PHE HE . 51342 1 760 . 1 . 1 61 61 PHE C C 13 174.160 0.050 . 1 . . . . . 61 PHE C . 51342 1 761 . 1 . 1 61 61 PHE CA C 13 55.480 0.050 . 1 . . . . . 61 PHE CA . 51342 1 762 . 1 . 1 61 61 PHE CB C 13 40.820 0.050 . 1 . . . . . 61 PHE CB . 51342 1 763 . 1 . 1 61 61 PHE CD1 C 13 128.610 0.050 . 1 . . . . . 61 PHE CD . 51342 1 764 . 1 . 1 61 61 PHE CD2 C 13 128.610 0.050 . 1 . . . . . 61 PHE CD . 51342 1 765 . 1 . 1 61 61 PHE CE1 C 13 128.590 0.050 . 1 . . . . . 61 PHE CE . 51342 1 766 . 1 . 1 61 61 PHE CE2 C 13 128.590 0.050 . 1 . . . . . 61 PHE CE . 51342 1 767 . 1 . 1 61 61 PHE N N 15 128.710 0.050 . 1 . . . . . 61 PHE N . 51342 1 768 . 1 . 1 62 62 GLN H H 1 11.410 0.005 . 1 . . . . . 62 GLN HN . 51342 1 769 . 1 . 1 62 62 GLN HA H 1 3.570 0.005 . 1 . . . . . 62 GLN HA . 51342 1 770 . 1 . 1 62 62 GLN HB2 H 1 1.590 0.005 . 2 . . . . . 62 GLN HB1 . 51342 1 771 . 1 . 1 62 62 GLN HB3 H 1 1.980 0.005 . 2 . . . . . 62 GLN HB2 . 51342 1 772 . 1 . 1 62 62 GLN HG2 H 1 1.530 0.005 . 2 . . . . . 62 GLN HG1 . 51342 1 773 . 1 . 1 62 62 GLN HG3 H 1 1.720 0.005 . 2 . . . . . 62 GLN HG2 . 51342 1 774 . 1 . 1 62 62 GLN HE21 H 1 6.940 0.005 . 2 . . . . . 62 GLN HE21 . 51342 1 775 . 1 . 1 62 62 GLN HE22 H 1 6.580 0.005 . 2 . . . . . 62 GLN HE22 . 51342 1 776 . 1 . 1 62 62 GLN C C 13 175.790 0.050 . 1 . . . . . 62 GLN C . 51342 1 777 . 1 . 1 62 62 GLN CA C 13 56.070 0.050 . 1 . . . . . 62 GLN CA . 51342 1 778 . 1 . 1 62 62 GLN CB C 13 26.560 0.050 . 1 . . . . . 62 GLN CB . 51342 1 779 . 1 . 1 62 62 GLN CG C 13 32.860 0.050 . 1 . . . . . 62 GLN CG . 51342 1 780 . 1 . 1 62 62 GLN N N 15 127.580 0.050 . 1 . . . . . 62 GLN N . 51342 1 781 . 1 . 1 62 62 GLN NE2 N 15 110.590 0.050 . 1 . . . . . 62 GLN NE2 . 51342 1 782 . 1 . 1 63 63 GLY H H 1 9.050 0.005 . 1 . . . . . 63 GLY HN . 51342 1 783 . 1 . 1 63 63 GLY HA2 H 1 3.180 0.005 . 2 . . . . . 63 GLY HA1 . 51342 1 784 . 1 . 1 63 63 GLY HA3 H 1 4.090 0.005 . 2 . . . . . 63 GLY HA2 . 51342 1 785 . 1 . 1 63 63 GLY C C 13 172.730 0.050 . 1 . . . . . 63 GLY C . 51342 1 786 . 1 . 1 63 63 GLY CA C 13 45.430 0.050 . 1 . . . . . 63 GLY CA . 51342 1 787 . 1 . 1 63 63 GLY N N 15 103.800 0.050 . 1 . . . . . 63 GLY N . 51342 1 788 . 1 . 1 64 64 LYS H H 1 7.910 0.005 . 1 . . . . . 64 LYS HN . 51342 1 789 . 1 . 1 64 64 LYS HA H 1 4.530 0.005 . 1 . . . . . 64 LYS HA . 51342 1 790 . 1 . 1 64 64 LYS HB2 H 1 1.830 0.005 . 2 . . . . . 64 LYS HB1 . 51342 1 791 . 1 . 1 64 64 LYS HB3 H 1 1.840 0.005 . 2 . . . . . 64 LYS HB2 . 51342 1 792 . 1 . 1 64 64 LYS HG2 H 1 1.710 0.005 . 2 . . . . . 64 LYS HG1 . 51342 1 793 . 1 . 1 64 64 LYS HG3 H 1 1.450 0.005 . 2 . . . . . 64 LYS HG2 . 51342 1 794 . 1 . 1 64 64 LYS HD2 H 1 1.440 0.005 . 2 . . . . . 64 LYS HD1 . 51342 1 795 . 1 . 1 64 64 LYS HD3 H 1 1.720 0.005 . 2 . . . . . 64 LYS HD2 . 51342 1 796 . 1 . 1 64 64 LYS C C 13 174.590 0.050 . 1 . . . . . 64 LYS C . 51342 1 797 . 1 . 1 64 64 LYS CA C 13 54.480 0.050 . 1 . . . . . 64 LYS CA . 51342 1 798 . 1 . 1 64 64 LYS CB C 13 34.510 0.050 . 1 . . . . . 64 LYS CB . 51342 1 799 . 1 . 1 64 64 LYS CG C 13 25.320 0.050 . 1 . . . . . 64 LYS CG . 51342 1 800 . 1 . 1 64 64 LYS CD C 13 28.930 0.050 . 1 . . . . . 64 LYS CD . 51342 1 801 . 1 . 1 64 64 LYS N N 15 120.380 0.050 . 1 . . . . . 64 LYS N . 51342 1 802 . 1 . 1 65 65 ALA H H 1 8.770 0.005 . 1 . . . . . 65 ALA HN . 51342 1 803 . 1 . 1 65 65 ALA HA H 1 4.470 0.005 . 1 . . . . . 65 ALA HA . 51342 1 804 . 1 . 1 65 65 ALA HB1 H 1 1.030 0.005 . 1 . . . . . 65 ALA HB# . 51342 1 805 . 1 . 1 65 65 ALA HB2 H 1 1.030 0.005 . 1 . . . . . 65 ALA HB# . 51342 1 806 . 1 . 1 65 65 ALA HB3 H 1 1.030 0.005 . 1 . . . . . 65 ALA HB# . 51342 1 807 . 1 . 1 65 65 ALA C C 13 176.310 0.050 . 1 . . . . . 65 ALA C . 51342 1 808 . 1 . 1 65 65 ALA CA C 13 51.470 0.050 . 1 . . . . . 65 ALA CA . 51342 1 809 . 1 . 1 65 65 ALA CB C 13 19.150 0.050 . 1 . . . . . 65 ALA CB . 51342 1 810 . 1 . 1 65 65 ALA N N 15 124.440 0.050 . 1 . . . . . 65 ALA N . 51342 1 811 . 1 . 1 66 66 LYS H H 1 8.550 0.005 . 1 . . . . . 66 LYS HN . 51342 1 812 . 1 . 1 66 66 LYS HA H 1 4.330 0.005 . 1 . . . . . 66 LYS HA . 51342 1 813 . 1 . 1 66 66 LYS HB2 H 1 0.290 0.005 . 2 . . . . . 66 LYS HB1 . 51342 1 814 . 1 . 1 66 66 LYS HB3 H 1 0.980 0.005 . 2 . . . . . 66 LYS HB2 . 51342 1 815 . 1 . 1 66 66 LYS HG2 H 1 0.990 0.005 . 2 . . . . . 66 LYS HG1 . 51342 1 816 . 1 . 1 66 66 LYS HG3 H 1 1.020 0.005 . 2 . . . . . 66 LYS HG2 . 51342 1 817 . 1 . 1 66 66 LYS HD2 H 1 1.460 0.005 . 2 . . . . . 66 LYS HD1 . 51342 1 818 . 1 . 1 66 66 LYS HD3 H 1 1.620 0.005 . 2 . . . . . 66 LYS HD2 . 51342 1 819 . 1 . 1 66 66 LYS C C 13 173.760 0.050 . 1 . . . . . 66 LYS C . 51342 1 820 . 1 . 1 66 66 LYS CA C 13 52.900 0.050 . 1 . . . . . 66 LYS CA . 51342 1 821 . 1 . 1 66 66 LYS CB C 13 34.730 0.050 . 1 . . . . . 66 LYS CB . 51342 1 822 . 1 . 1 66 66 LYS CG C 13 25.120 0.050 . 1 . . . . . 66 LYS CG . 51342 1 823 . 1 . 1 66 66 LYS CD C 13 28.370 0.050 . 1 . . . . . 66 LYS CD . 51342 1 824 . 1 . 1 66 66 LYS N N 15 123.260 0.050 . 1 . . . . . 66 LYS N . 51342 1 825 . 1 . 1 67 67 HIS H H 1 8.300 0.005 . 1 . . . . . 67 HIS HN . 51342 1 826 . 1 . 1 67 67 HIS HA H 1 5.140 0.005 . 1 . . . . . 67 HIS HA . 51342 1 827 . 1 . 1 67 67 HIS HB2 H 1 2.690 0.005 . 2 . . . . . 67 HIS HB1 . 51342 1 828 . 1 . 1 67 67 HIS HB3 H 1 2.860 0.005 . 2 . . . . . 67 HIS HB2 . 51342 1 829 . 1 . 1 67 67 HIS HD2 H 1 6.970 0.005 . 1 . . . . . 67 HIS HD2 . 51342 1 830 . 1 . 1 67 67 HIS HE1 H 1 8.320 0.005 . 1 . . . . . 67 HIS HE1 . 51342 1 831 . 1 . 1 67 67 HIS C C 13 175.000 0.050 . 1 . . . . . 67 HIS C . 51342 1 832 . 1 . 1 67 67 HIS CA C 13 54.740 0.050 . 1 . . . . . 67 HIS CA . 51342 1 833 . 1 . 1 67 67 HIS CB C 13 32.800 0.050 . 1 . . . . . 67 HIS CB . 51342 1 834 . 1 . 1 67 67 HIS CD2 C 13 120.250 0.050 . 1 . . . . . 67 HIS CD2 . 51342 1 835 . 1 . 1 67 67 HIS CE1 C 13 137.330 0.050 . 1 . . . . . 67 HIS CE1 . 51342 1 836 . 1 . 1 67 67 HIS N N 15 118.650 0.050 . 1 . . . . . 67 HIS N . 51342 1 837 . 1 . 1 68 68 LEU H H 1 9.540 0.005 . 1 . . . . . 68 LEU HN . 51342 1 838 . 1 . 1 68 68 LEU HA H 1 4.860 0.005 . 1 . . . . . 68 LEU HA . 51342 1 839 . 1 . 1 68 68 LEU HB2 H 1 1.710 0.005 . 2 . . . . . 68 LEU HB1 . 51342 1 840 . 1 . 1 68 68 LEU HB3 H 1 1.840 0.005 . 2 . . . . . 68 LEU HB2 . 51342 1 841 . 1 . 1 68 68 LEU HG H 1 0.810 0.005 . 1 . . . . . 68 LEU HG . 51342 1 842 . 1 . 1 68 68 LEU HD11 H 1 0.820 0.005 . 2 . . . . . 68 LEU HD1# . 51342 1 843 . 1 . 1 68 68 LEU HD12 H 1 0.820 0.005 . 2 . . . . . 68 LEU HD1# . 51342 1 844 . 1 . 1 68 68 LEU HD13 H 1 0.820 0.005 . 2 . . . . . 68 LEU HD1# . 51342 1 845 . 1 . 1 68 68 LEU HD21 H 1 0.810 0.005 . 2 . . . . . 68 LEU HD2# . 51342 1 846 . 1 . 1 68 68 LEU HD22 H 1 0.810 0.005 . 2 . . . . . 68 LEU HD2# . 51342 1 847 . 1 . 1 68 68 LEU HD23 H 1 0.810 0.005 . 2 . . . . . 68 LEU HD2# . 51342 1 848 . 1 . 1 68 68 LEU C C 13 175.350 0.050 . 1 . . . . . 68 LEU C . 51342 1 849 . 1 . 1 68 68 LEU CA C 13 53.510 0.050 . 1 . . . . . 68 LEU CA . 51342 1 850 . 1 . 1 68 68 LEU CB C 13 44.760 0.050 . 1 . . . . . 68 LEU CB . 51342 1 851 . 1 . 1 68 68 LEU CG C 13 24.700 0.050 . 1 . . . . . 68 LEU CG . 51342 1 852 . 1 . 1 68 68 LEU CD1 C 13 24.700 0.050 . 1 . . . . . 68 LEU CD1 . 51342 1 853 . 1 . 1 68 68 LEU CD2 C 13 24.760 0.050 . 1 . . . . . 68 LEU CD2 . 51342 1 854 . 1 . 1 68 68 LEU N N 15 127.300 0.050 . 1 . . . . . 68 LEU N . 51342 1 855 . 1 . 1 69 69 ARG H H 1 8.830 0.005 . 1 . . . . . 69 ARG HN . 51342 1 856 . 1 . 1 69 69 ARG HA H 1 4.510 0.005 . 1 . . . . . 69 ARG HA . 51342 1 857 . 1 . 1 69 69 ARG HB2 H 1 1.840 0.005 . 2 . . . . . 69 ARG HB1 . 51342 1 858 . 1 . 1 69 69 ARG HB3 H 1 1.940 0.005 . 2 . . . . . 69 ARG HB2 . 51342 1 859 . 1 . 1 69 69 ARG HG2 H 1 1.940 0.005 . 2 . . . . . 69 ARG HG1 . 51342 1 860 . 1 . 1 69 69 ARG HG3 H 1 1.940 0.005 . 2 . . . . . 69 ARG HG2 . 51342 1 861 . 1 . 1 69 69 ARG HD2 H 1 3.140 0.005 . 2 . . . . . 69 ARG HD1 . 51342 1 862 . 1 . 1 69 69 ARG HD3 H 1 3.260 0.005 . 2 . . . . . 69 ARG HD2 . 51342 1 863 . 1 . 1 69 69 ARG HE H 1 7.580 0.005 . 1 . . . . . 69 ARG HE . 51342 1 864 . 1 . 1 69 69 ARG C C 13 175.440 0.050 . 1 . . . . . 69 ARG C . 51342 1 865 . 1 . 1 69 69 ARG CA C 13 58.100 0.050 . 1 . . . . . 69 ARG CA . 51342 1 866 . 1 . 1 69 69 ARG CB C 13 30.680 0.050 . 1 . . . . . 69 ARG CB . 51342 1 867 . 1 . 1 69 69 ARG CG C 13 27.620 0.050 . 1 . . . . . 69 ARG CG . 51342 1 868 . 1 . 1 69 69 ARG CD C 13 43.420 0.050 . 1 . . . . . 69 ARG CD . 51342 1 869 . 1 . 1 69 69 ARG N N 15 125.470 0.050 . 1 . . . . . 69 ARG N . 51342 1 870 . 1 . 1 69 69 ARG NE N 15 84.580 0.050 . 1 . . . . . 69 ARG NE . 51342 1 871 . 1 . 1 70 70 LEU H H 1 8.640 0.005 . 1 . . . . . 70 LEU HN . 51342 1 872 . 1 . 1 70 70 LEU HA H 1 5.070 0.005 . 1 . . . . . 70 LEU HA . 51342 1 873 . 1 . 1 70 70 LEU HB2 H 1 1.380 0.005 . 2 . . . . . 70 LEU HB1 . 51342 1 874 . 1 . 1 70 70 LEU HB3 H 1 1.710 0.005 . 2 . . . . . 70 LEU HB2 . 51342 1 875 . 1 . 1 70 70 LEU HG H 1 0.740 0.005 . 1 . . . . . 70 LEU HG . 51342 1 876 . 1 . 1 70 70 LEU HD11 H 1 1.060 0.005 . 2 . . . . . 70 LEU HD1# . 51342 1 877 . 1 . 1 70 70 LEU HD12 H 1 1.060 0.005 . 2 . . . . . 70 LEU HD1# . 51342 1 878 . 1 . 1 70 70 LEU HD13 H 1 1.060 0.005 . 2 . . . . . 70 LEU HD1# . 51342 1 879 . 1 . 1 70 70 LEU HD21 H 1 0.720 0.005 . 2 . . . . . 70 LEU HD2# . 51342 1 880 . 1 . 1 70 70 LEU HD22 H 1 0.720 0.005 . 2 . . . . . 70 LEU HD2# . 51342 1 881 . 1 . 1 70 70 LEU HD23 H 1 0.720 0.005 . 2 . . . . . 70 LEU HD2# . 51342 1 882 . 1 . 1 70 70 LEU C C 13 175.400 0.050 . 1 . . . . . 70 LEU C . 51342 1 883 . 1 . 1 70 70 LEU CA C 13 53.670 0.050 . 1 . . . . . 70 LEU CA . 51342 1 884 . 1 . 1 70 70 LEU CB C 13 44.580 0.050 . 1 . . . . . 70 LEU CB . 51342 1 885 . 1 . 1 70 70 LEU CG C 13 26.780 0.050 . 1 . . . . . 70 LEU CG . 51342 1 886 . 1 . 1 70 70 LEU CD1 C 13 25.260 0.050 . 1 . . . . . 70 LEU CD1 . 51342 1 887 . 1 . 1 70 70 LEU CD2 C 13 26.630 0.050 . 1 . . . . . 70 LEU CD2 . 51342 1 888 . 1 . 1 70 70 LEU N N 15 122.080 0.050 . 1 . . . . . 70 LEU N . 51342 1 889 . 1 . 1 71 71 SER H H 1 8.380 0.005 . 1 . . . . . 71 SER HN . 51342 1 890 . 1 . 1 71 71 SER HA H 1 5.180 0.005 . 1 . . . . . 71 SER HA . 51342 1 891 . 1 . 1 71 71 SER HB2 H 1 3.790 0.005 . 2 . . . . . 71 SER HB1 . 51342 1 892 . 1 . 1 71 71 SER HB3 H 1 3.820 0.005 . 2 . . . . . 71 SER HB2 . 51342 1 893 . 1 . 1 71 71 SER C C 13 173.080 0.050 . 1 . . . . . 71 SER C . 51342 1 894 . 1 . 1 71 71 SER CA C 13 56.870 0.050 . 1 . . . . . 71 SER CA . 51342 1 895 . 1 . 1 71 71 SER CB C 13 65.050 0.050 . 1 . . . . . 71 SER CB . 51342 1 896 . 1 . 1 71 71 SER N N 15 116.350 0.050 . 1 . . . . . 71 SER N . 51342 1 897 . 1 . 1 72 72 LEU H H 1 8.970 0.005 . 1 . . . . . 72 LEU HN . 51342 1 898 . 1 . 1 72 72 LEU HA H 1 5.700 0.005 . 1 . . . . . 72 LEU HA . 51342 1 899 . 1 . 1 72 72 LEU HB2 H 1 1.700 0.005 . 2 . . . . . 72 LEU HB1 . 51342 1 900 . 1 . 1 72 72 LEU HB3 H 1 1.690 0.005 . 2 . . . . . 72 LEU HB2 . 51342 1 901 . 1 . 1 72 72 LEU HG H 1 1.610 0.005 . 1 . . . . . 72 LEU HG . 51342 1 902 . 1 . 1 72 72 LEU HD11 H 1 0.690 0.005 . 2 . . . . . 72 LEU HD1# . 51342 1 903 . 1 . 1 72 72 LEU HD12 H 1 0.690 0.005 . 2 . . . . . 72 LEU HD1# . 51342 1 904 . 1 . 1 72 72 LEU HD13 H 1 0.690 0.005 . 2 . . . . . 72 LEU HD1# . 51342 1 905 . 1 . 1 72 72 LEU HD21 H 1 0.690 0.005 . 2 . . . . . 72 LEU HD2# . 51342 1 906 . 1 . 1 72 72 LEU HD22 H 1 0.690 0.005 . 2 . . . . . 72 LEU HD2# . 51342 1 907 . 1 . 1 72 72 LEU HD23 H 1 0.690 0.005 . 2 . . . . . 72 LEU HD2# . 51342 1 908 . 1 . 1 72 72 LEU C C 13 177.920 0.050 . 1 . . . . . 72 LEU C . 51342 1 909 . 1 . 1 72 72 LEU CA C 13 53.440 0.050 . 1 . . . . . 72 LEU CA . 51342 1 910 . 1 . 1 72 72 LEU CB C 13 44.990 0.050 . 1 . . . . . 72 LEU CB . 51342 1 911 . 1 . 1 72 72 LEU CG C 13 28.260 0.050 . 1 . . . . . 72 LEU CG . 51342 1 912 . 1 . 1 72 72 LEU CD1 C 13 25.110 0.050 . 1 . . . . . 72 LEU CD1 . 51342 1 913 . 1 . 1 72 72 LEU CD2 C 13 25.130 0.050 . 1 . . . . . 72 LEU CD2 . 51342 1 914 . 1 . 1 72 72 LEU N N 15 126.040 0.050 . 1 . . . . . 72 LEU N . 51342 1 915 . 1 . 1 73 73 ASN H H 1 8.200 0.005 . 1 . . . . . 73 ASN HN . 51342 1 916 . 1 . 1 73 73 ASN HA H 1 5.140 0.005 . 1 . . . . . 73 ASN HA . 51342 1 917 . 1 . 1 73 73 ASN HB2 H 1 3.060 0.005 . 2 . . . . . 73 ASN HB1 . 51342 1 918 . 1 . 1 73 73 ASN HB3 H 1 3.670 0.005 . 2 . . . . . 73 ASN HB2 . 51342 1 919 . 1 . 1 73 73 ASN HD21 H 1 7.420 0.005 . 2 . . . . . 73 ASN HD21 . 51342 1 920 . 1 . 1 73 73 ASN HD22 H 1 7.660 0.005 . 2 . . . . . 73 ASN HD22 . 51342 1 921 . 1 . 1 73 73 ASN C C 13 177.960 0.050 . 1 . . . . . 73 ASN C . 51342 1 922 . 1 . 1 73 73 ASN CA C 13 50.540 0.050 . 1 . . . . . 73 ASN CA . 51342 1 923 . 1 . 1 73 73 ASN CB C 13 39.140 0.050 . 1 . . . . . 73 ASN CB . 51342 1 924 . 1 . 1 73 73 ASN N N 15 120.630 0.050 . 1 . . . . . 73 ASN N . 51342 1 925 . 1 . 1 73 73 ASN ND2 N 15 111.910 0.050 . 1 . . . . . 73 ASN ND2 . 51342 1 926 . 1 . 1 74 74 GLU H H 1 9.140 0.005 . 1 . . . . . 74 GLU HN . 51342 1 927 . 1 . 1 74 74 GLU HA H 1 4.130 0.005 . 1 . . . . . 74 GLU HA . 51342 1 928 . 1 . 1 74 74 GLU HB2 H 1 2.120 0.005 . 2 . . . . . 74 GLU HB1 . 51342 1 929 . 1 . 1 74 74 GLU HB3 H 1 2.130 0.005 . 2 . . . . . 74 GLU HB2 . 51342 1 930 . 1 . 1 74 74 GLU HG2 H 1 2.430 0.005 . 2 . . . . . 74 GLU HG1 . 51342 1 931 . 1 . 1 74 74 GLU HG3 H 1 2.430 0.005 . 2 . . . . . 74 GLU HG2 . 51342 1 932 . 1 . 1 74 74 GLU C C 13 177.550 0.050 . 1 . . . . . 74 GLU C . 51342 1 933 . 1 . 1 74 74 GLU CA C 13 59.740 0.050 . 1 . . . . . 74 GLU CA . 51342 1 934 . 1 . 1 74 74 GLU CB C 13 28.920 0.050 . 1 . . . . . 74 GLU CB . 51342 1 935 . 1 . 1 74 74 GLU CG C 13 36.490 0.050 . 1 . . . . . 74 GLU CG . 51342 1 936 . 1 . 1 74 74 GLU N N 15 119.390 0.050 . 1 . . . . . 74 GLU N . 51342 1 937 . 1 . 1 75 75 GLU H H 1 7.620 0.005 . 1 . . . . . 75 GLU HN . 51342 1 938 . 1 . 1 75 75 GLU HA H 1 4.440 0.005 . 1 . . . . . 75 GLU HA . 51342 1 939 . 1 . 1 75 75 GLU HB2 H 1 1.990 0.005 . 2 . . . . . 75 GLU HB1 . 51342 1 940 . 1 . 1 75 75 GLU HB3 H 1 2.330 0.005 . 2 . . . . . 75 GLU HB2 . 51342 1 941 . 1 . 1 75 75 GLU HG2 H 1 2.330 0.005 . 2 . . . . . 75 GLU HG1 . 51342 1 942 . 1 . 1 75 75 GLU HG3 H 1 2.330 0.005 . 2 . . . . . 75 GLU HG2 . 51342 1 943 . 1 . 1 75 75 GLU C C 13 176.690 0.050 . 1 . . . . . 75 GLU C . 51342 1 944 . 1 . 1 75 75 GLU CA C 13 56.350 0.050 . 1 . . . . . 75 GLU CA . 51342 1 945 . 1 . 1 75 75 GLU CB C 13 29.750 0.050 . 1 . . . . . 75 GLU CB . 51342 1 946 . 1 . 1 75 75 GLU CG C 13 36.700 0.050 . 1 . . . . . 75 GLU CG . 51342 1 947 . 1 . 1 75 75 GLU N N 15 116.460 0.050 . 1 . . . . . 75 GLU N . 51342 1 948 . 1 . 1 76 76 GLY H H 1 8.250 0.005 . 1 . . . . . 76 GLY HN . 51342 1 949 . 1 . 1 76 76 GLY HA2 H 1 3.610 0.005 . 2 . . . . . 76 GLY HA1 . 51342 1 950 . 1 . 1 76 76 GLY HA3 H 1 4.330 0.005 . 2 . . . . . 76 GLY HA2 . 51342 1 951 . 1 . 1 76 76 GLY C C 13 174.220 0.050 . 1 . . . . . 76 GLY C . 51342 1 952 . 1 . 1 76 76 GLY CA C 13 45.150 0.050 . 1 . . . . . 76 GLY CA . 51342 1 953 . 1 . 1 76 76 GLY N N 15 108.500 0.050 . 1 . . . . . 76 GLY N . 51342 1 954 . 1 . 1 77 77 GLN H H 1 7.930 0.005 . 1 . . . . . 77 GLN HN . 51342 1 955 . 1 . 1 77 77 GLN HA H 1 4.130 0.005 . 1 . . . . . 77 GLN HA . 51342 1 956 . 1 . 1 77 77 GLN HB2 H 1 2.070 0.005 . 2 . . . . . 77 GLN HB1 . 51342 1 957 . 1 . 1 77 77 GLN HB3 H 1 2.060 0.005 . 2 . . . . . 77 GLN HB2 . 51342 1 958 . 1 . 1 77 77 GLN HG2 H 1 2.380 0.005 . 1 . . . . . 77 GLN HG1 . 51342 1 959 . 1 . 1 77 77 GLN HG3 H 1 2.620 0.005 . 1 . . . . . 77 GLN HG2 . 51342 1 960 . 1 . 1 77 77 GLN HE21 H 1 6.800 0.005 . 2 . . . . . 77 GLN HE21 . 51342 1 961 . 1 . 1 77 77 GLN HE22 H 1 7.490 0.005 . 2 . . . . . 77 GLN HE22 . 51342 1 962 . 1 . 1 77 77 GLN C C 13 175.450 0.050 . 1 . . . . . 77 GLN C . 51342 1 963 . 1 . 1 77 77 GLN CA C 13 56.470 0.050 . 1 . . . . . 77 GLN CA . 51342 1 964 . 1 . 1 77 77 GLN CB C 13 28.010 0.050 . 1 . . . . . 77 GLN CB . 51342 1 965 . 1 . 1 77 77 GLN CG C 13 34.010 0.050 . 1 . . . . . 77 GLN CG . 51342 1 966 . 1 . 1 77 77 GLN N N 15 118.720 0.050 . 1 . . . . . 77 GLN N . 51342 1 967 . 1 . 1 77 77 GLN NE2 N 15 111.960 0.050 . 1 . . . . . 77 GLN NE2 . 51342 1 968 . 1 . 1 78 78 CYS H H 1 8.350 0.005 . 1 . . . . . 78 CYS HN . 51342 1 969 . 1 . 1 78 78 CYS HA H 1 5.370 0.005 . 1 . . . . . 78 CYS HA . 51342 1 970 . 1 . 1 78 78 CYS HB2 H 1 2.310 0.005 . 2 . . . . . 78 CYS HB1 . 51342 1 971 . 1 . 1 78 78 CYS HB3 H 1 2.360 0.005 . 2 . . . . . 78 CYS HB2 . 51342 1 972 . 1 . 1 78 78 CYS C C 13 171.920 0.050 . 1 . . . . . 78 CYS C . 51342 1 973 . 1 . 1 78 78 CYS CA C 13 56.400 0.050 . 1 . . . . . 78 CYS CA . 51342 1 974 . 1 . 1 78 78 CYS CB C 13 30.000 0.050 . 1 . . . . . 78 CYS CB . 51342 1 975 . 1 . 1 78 78 CYS N N 15 120.020 0.050 . 1 . . . . . 78 CYS N . 51342 1 976 . 1 . 1 79 79 ARG H H 1 8.970 0.005 . 1 . . . . . 79 ARG HN . 51342 1 977 . 1 . 1 79 79 ARG HA H 1 5.120 0.005 . 1 . . . . . 79 ARG HA . 51342 1 978 . 1 . 1 79 79 ARG HB2 H 1 0.390 0.005 . 2 . . . . . 79 ARG HB1 . 51342 1 979 . 1 . 1 79 79 ARG HB3 H 1 1.380 0.005 . 2 . . . . . 79 ARG HB2 . 51342 1 980 . 1 . 1 79 79 ARG HG2 H 1 0.860 0.005 . 2 . . . . . 79 ARG HG1 . 51342 1 981 . 1 . 1 79 79 ARG HG3 H 1 1.130 0.005 . 2 . . . . . 79 ARG HG2 . 51342 1 982 . 1 . 1 79 79 ARG HD2 H 1 2.720 0.005 . 2 . . . . . 79 ARG HD1 . 51342 1 983 . 1 . 1 79 79 ARG HD3 H 1 2.870 0.005 . 2 . . . . . 79 ARG HD2 . 51342 1 984 . 1 . 1 79 79 ARG HE H 1 6.830 0.005 . 1 . . . . . 79 ARG HE . 51342 1 985 . 1 . 1 79 79 ARG C C 13 175.720 0.050 . 1 . . . . . 79 ARG C . 51342 1 986 . 1 . 1 79 79 ARG CA C 13 54.240 0.050 . 1 . . . . . 79 ARG CA . 51342 1 987 . 1 . 1 79 79 ARG CB C 13 31.880 0.050 . 1 . . . . . 79 ARG CB . 51342 1 988 . 1 . 1 79 79 ARG CG C 13 27.100 0.050 . 1 . . . . . 79 ARG CG . 51342 1 989 . 1 . 1 79 79 ARG CD C 13 43.220 0.050 . 1 . . . . . 79 ARG CD . 51342 1 990 . 1 . 1 79 79 ARG N N 15 129.600 0.050 . 1 . . . . . 79 ARG N . 51342 1 991 . 1 . 1 79 79 ARG NE N 15 81.370 0.050 . 1 . . . . . 79 ARG NE . 51342 1 992 . 1 . 1 80 80 VAL H H 1 8.470 0.005 . 1 . . . . . 80 VAL HN . 51342 1 993 . 1 . 1 80 80 VAL HA H 1 4.460 0.005 . 1 . . . . . 80 VAL HA . 51342 1 994 . 1 . 1 80 80 VAL HB H 1 2.140 0.005 . 1 . . . . . 80 VAL HB . 51342 1 995 . 1 . 1 80 80 VAL HG11 H 1 1.050 0.005 . 2 . . . . . 80 VAL HG1# . 51342 1 996 . 1 . 1 80 80 VAL HG12 H 1 1.050 0.005 . 2 . . . . . 80 VAL HG1# . 51342 1 997 . 1 . 1 80 80 VAL HG13 H 1 1.050 0.005 . 2 . . . . . 80 VAL HG1# . 51342 1 998 . 1 . 1 80 80 VAL HG21 H 1 1.050 0.005 . 2 . . . . . 80 VAL HG2# . 51342 1 999 . 1 . 1 80 80 VAL HG22 H 1 1.050 0.005 . 2 . . . . . 80 VAL HG2# . 51342 1 1000 . 1 . 1 80 80 VAL HG23 H 1 1.050 0.005 . 2 . . . . . 80 VAL HG2# . 51342 1 1001 . 1 . 1 80 80 VAL C C 13 173.810 0.050 . 1 . . . . . 80 VAL C . 51342 1 1002 . 1 . 1 80 80 VAL CA C 13 60.230 0.050 . 1 . . . . . 80 VAL CA . 51342 1 1003 . 1 . 1 80 80 VAL CB C 13 34.190 0.050 . 1 . . . . . 80 VAL CB . 51342 1 1004 . 1 . 1 80 80 VAL CG1 C 13 20.390 0.050 . 1 . . . . . 80 VAL CG1 . 51342 1 1005 . 1 . 1 80 80 VAL CG2 C 13 21.770 0.050 . 1 . . . . . 80 VAL CG2 . 51342 1 1006 . 1 . 1 80 80 VAL N N 15 124.290 0.050 . 1 . . . . . 80 VAL N . 51342 1 1007 . 1 . 1 81 81 GLN H H 1 9.550 0.005 . 1 . . . . . 81 GLN HN . 51342 1 1008 . 1 . 1 81 81 GLN HA H 1 3.780 0.005 . 1 . . . . . 81 GLN HA . 51342 1 1009 . 1 . 1 81 81 GLN HB2 H 1 2.270 0.005 . 2 . . . . . 81 GLN HB1 . 51342 1 1010 . 1 . 1 81 81 GLN HB3 H 1 2.310 0.005 . 2 . . . . . 81 GLN HB2 . 51342 1 1011 . 1 . 1 81 81 GLN HG2 H 1 2.310 0.005 . 2 . . . . . 81 GLN HG1 . 51342 1 1012 . 1 . 1 81 81 GLN HG3 H 1 2.310 0.005 . 2 . . . . . 81 GLN HG2 . 51342 1 1013 . 1 . 1 81 81 GLN HE21 H 1 6.800 0.005 . 2 . . . . . 81 GLN HE21 . 51342 1 1014 . 1 . 1 81 81 GLN HE22 H 1 7.490 0.005 . 2 . . . . . 81 GLN HE22 . 51342 1 1015 . 1 . 1 81 81 GLN C C 13 175.010 0.050 . 1 . . . . . 81 GLN C . 51342 1 1016 . 1 . 1 81 81 GLN CA C 13 57.480 0.050 . 1 . . . . . 81 GLN CA . 51342 1 1017 . 1 . 1 81 81 GLN CB C 13 26.730 0.050 . 1 . . . . . 81 GLN CB . 51342 1 1018 . 1 . 1 81 81 GLN CG C 13 34.170 0.050 . 1 . . . . . 81 GLN CG . 51342 1 1019 . 1 . 1 81 81 GLN N N 15 125.230 0.050 . 1 . . . . . 81 GLN N . 51342 1 1020 . 1 . 1 81 81 GLN NE2 N 15 111.260 0.050 . 1 . . . . . 81 GLN NE2 . 51342 1 1021 . 1 . 1 82 82 HIS H H 1 8.580 0.005 . 1 . . . . . 82 HIS HN . 51342 1 1022 . 1 . 1 82 82 HIS HA H 1 4.530 0.005 . 1 . . . . . 82 HIS HA . 51342 1 1023 . 1 . 1 82 82 HIS HB2 H 1 3.350 0.005 . 2 . . . . . 82 HIS HB1 . 51342 1 1024 . 1 . 1 82 82 HIS HB3 H 1 3.350 0.005 . 2 . . . . . 82 HIS HB2 . 51342 1 1025 . 1 . 1 82 82 HIS HD2 H 1 7.110 0.005 . 1 . . . . . 82 HIS HD2 . 51342 1 1026 . 1 . 1 82 82 HIS HE1 H 1 8.270 0.005 . 1 . . . . . 82 HIS HE1 . 51342 1 1027 . 1 . 1 82 82 HIS C C 13 174.070 0.050 . 1 . . . . . 82 HIS C . 51342 1 1028 . 1 . 1 82 82 HIS CA C 13 56.470 0.050 . 1 . . . . . 82 HIS CA . 51342 1 1029 . 1 . 1 82 82 HIS CB C 13 28.850 0.050 . 1 . . . . . 82 HIS CB . 51342 1 1030 . 1 . 1 82 82 HIS CD2 C 13 118.410 0.050 . 1 . . . . . 82 HIS CD2 . 51342 1 1031 . 1 . 1 82 82 HIS CE1 C 13 137.550 0.050 . 1 . . . . . 82 HIS CE1 . 51342 1 1032 . 1 . 1 82 82 HIS N N 15 116.310 0.050 . 1 . . . . . 82 HIS N . 51342 1 1033 . 1 . 1 83 83 LEU H H 1 8.450 0.005 . 1 . . . . . 83 LEU HN . 51342 1 1034 . 1 . 1 83 83 LEU HA H 1 4.420 0.005 . 1 . . . . . 83 LEU HA . 51342 1 1035 . 1 . 1 83 83 LEU HB2 H 1 1.010 0.005 . 2 . . . . . 83 LEU HB1 . 51342 1 1036 . 1 . 1 83 83 LEU HB3 H 1 2.000 0.005 . 2 . . . . . 83 LEU HB2 . 51342 1 1037 . 1 . 1 83 83 LEU HG H 1 1.410 0.005 . 1 . . . . . 83 LEU HG . 51342 1 1038 . 1 . 1 83 83 LEU HD11 H 1 0.750 0.005 . 2 . . . . . 83 LEU HD1# . 51342 1 1039 . 1 . 1 83 83 LEU HD12 H 1 0.750 0.005 . 2 . . . . . 83 LEU HD1# . 51342 1 1040 . 1 . 1 83 83 LEU HD13 H 1 0.750 0.005 . 2 . . . . . 83 LEU HD1# . 51342 1 1041 . 1 . 1 83 83 LEU HD21 H 1 1.020 0.005 . 2 . . . . . 83 LEU HD2# . 51342 1 1042 . 1 . 1 83 83 LEU HD22 H 1 1.020 0.005 . 2 . . . . . 83 LEU HD2# . 51342 1 1043 . 1 . 1 83 83 LEU HD23 H 1 1.020 0.005 . 2 . . . . . 83 LEU HD2# . 51342 1 1044 . 1 . 1 83 83 LEU C C 13 174.980 0.050 . 1 . . . . . 83 LEU C . 51342 1 1045 . 1 . 1 83 83 LEU CA C 13 54.270 0.050 . 1 . . . . . 83 LEU CA . 51342 1 1046 . 1 . 1 83 83 LEU CB C 13 44.470 0.050 . 1 . . . . . 83 LEU CB . 51342 1 1047 . 1 . 1 83 83 LEU CG C 13 26.740 0.050 . 1 . . . . . 83 LEU CG . 51342 1 1048 . 1 . 1 83 83 LEU CD1 C 13 22.780 0.050 . 1 . . . . . 83 LEU CD1 . 51342 1 1049 . 1 . 1 83 83 LEU CD2 C 13 25.860 0.050 . 1 . . . . . 83 LEU CD2 . 51342 1 1050 . 1 . 1 83 83 LEU N N 15 123.200 0.050 . 1 . . . . . 83 LEU N . 51342 1 1051 . 1 . 1 84 84 TRP H H 1 7.850 0.005 . 1 . . . . . 84 TRP HN . 51342 1 1052 . 1 . 1 84 84 TRP HA H 1 5.050 0.005 . 1 . . . . . 84 TRP HA . 51342 1 1053 . 1 . 1 84 84 TRP HB2 H 1 2.820 0.005 . 2 . . . . . 84 TRP HB1 . 51342 1 1054 . 1 . 1 84 84 TRP HB3 H 1 2.890 0.005 . 2 . . . . . 84 TRP HB2 . 51342 1 1055 . 1 . 1 84 84 TRP HD1 H 1 7.040 0.005 . 1 . . . . . 84 TRP HD1 . 51342 1 1056 . 1 . 1 84 84 TRP HE1 H 1 9.930 0.005 . 1 . . . . . 84 TRP HE1 . 51342 1 1057 . 1 . 1 84 84 TRP HE3 H 1 7.300 0.005 . 1 . . . . . 84 TRP HE3 . 51342 1 1058 . 1 . 1 84 84 TRP HZ2 H 1 7.340 0.005 . 1 . . . . . 84 TRP HZ2 . 51342 1 1059 . 1 . 1 84 84 TRP HZ3 H 1 6.840 0.005 . 1 . . . . . 84 TRP HZ3 . 51342 1 1060 . 1 . 1 84 84 TRP HH2 H 1 7.120 0.005 . 1 . . . . . 84 TRP HH2 . 51342 1 1061 . 1 . 1 84 84 TRP C C 13 174.990 0.050 . 1 . . . . . 84 TRP C . 51342 1 1062 . 1 . 1 84 84 TRP CA C 13 56.440 0.050 . 1 . . . . . 84 TRP CA . 51342 1 1063 . 1 . 1 84 84 TRP CB C 13 31.960 0.050 . 1 . . . . . 84 TRP CB . 51342 1 1064 . 1 . 1 84 84 TRP CD1 C 13 126.970 0.050 . 1 . . . . . 84 TRP CD1 . 51342 1 1065 . 1 . 1 84 84 TRP CE3 C 13 120.700 0.050 . 1 . . . . . 84 TRP CE3 . 51342 1 1066 . 1 . 1 84 84 TRP CZ2 C 13 114.070 0.050 . 1 . . . . . 84 TRP CZ2 . 51342 1 1067 . 1 . 1 84 84 TRP CZ3 C 13 121.770 0.050 . 1 . . . . . 84 TRP CZ3 . 51342 1 1068 . 1 . 1 84 84 TRP CH2 C 13 124.170 0.005 . 1 . . . . . 84 TRP CH2 . 51342 1 1069 . 1 . 1 84 84 TRP N N 15 120.330 0.050 . 1 . . . . . 84 TRP N . 51342 1 1070 . 1 . 1 84 84 TRP NE1 N 15 128.400 0.050 . 1 . . . . . 84 TRP NE1 . 51342 1 1071 . 1 . 1 85 85 PHE H H 1 8.980 0.005 . 1 . . . . . 85 PHE HN . 51342 1 1072 . 1 . 1 85 85 PHE HA H 1 4.560 0.005 . 1 . . . . . 85 PHE HA . 51342 1 1073 . 1 . 1 85 85 PHE HB2 H 1 2.520 0.005 . 2 . . . . . 85 PHE HB1 . 51342 1 1074 . 1 . 1 85 85 PHE HB3 H 1 3.130 0.005 . 2 . . . . . 85 PHE HB2 . 51342 1 1075 . 1 . 1 85 85 PHE HD1 H 1 6.920 0.005 . 1 . . . . . 85 PHE HD . 51342 1 1076 . 1 . 1 85 85 PHE HD2 H 1 6.920 0.005 . 1 . . . . . 85 PHE HD . 51342 1 1077 . 1 . 1 85 85 PHE HE1 H 1 6.520 0.005 . 1 . . . . . 85 PHE HE . 51342 1 1078 . 1 . 1 85 85 PHE HE2 H 1 6.520 0.005 . 1 . . . . . 85 PHE HE . 51342 1 1079 . 1 . 1 85 85 PHE HZ H 1 6.940 0.005 . 1 . . . . . 85 PHE HZ . 51342 1 1080 . 1 . 1 85 85 PHE C C 13 175.760 0.050 . 1 . . . . . 85 PHE C . 51342 1 1081 . 1 . 1 85 85 PHE CA C 13 56.370 0.050 . 1 . . . . . 85 PHE CA . 51342 1 1082 . 1 . 1 85 85 PHE CB C 13 43.980 0.050 . 1 . . . . . 85 PHE CB . 51342 1 1083 . 1 . 1 85 85 PHE CD1 C 13 131.750 0.050 . 1 . . . . . 85 PHE CD . 51342 1 1084 . 1 . 1 85 85 PHE CD2 C 13 131.750 0.050 . 1 . . . . . 85 PHE CD . 51342 1 1085 . 1 . 1 85 85 PHE CE1 C 13 130.330 0.050 . 1 . . . . . 85 PHE CE . 51342 1 1086 . 1 . 1 85 85 PHE CE2 C 13 130.330 0.050 . 1 . . . . . 85 PHE CE . 51342 1 1087 . 1 . 1 85 85 PHE CZ C 13 130.330 0.050 . 1 . . . . . 85 PHE CZ . 51342 1 1088 . 1 . 1 85 85 PHE N N 15 120.010 0.050 . 1 . . . . . 85 PHE N . 51342 1 1089 . 1 . 1 86 86 GLN H H 1 9.550 0.005 . 1 . . . . . 86 GLN HN . 51342 1 1090 . 1 . 1 86 86 GLN HA H 1 3.890 0.005 . 1 . . . . . 86 GLN HA . 51342 1 1091 . 1 . 1 86 86 GLN HB2 H 1 2.200 0.005 . 2 . . . . . 86 GLN HB1 . 51342 1 1092 . 1 . 1 86 86 GLN HB3 H 1 2.200 0.005 . 2 . . . . . 86 GLN HB2 . 51342 1 1093 . 1 . 1 86 86 GLN HG2 H 1 2.520 0.005 . 2 . . . . . 86 GLN HG1 . 51342 1 1094 . 1 . 1 86 86 GLN HG3 H 1 2.520 0.005 . 2 . . . . . 86 GLN HG2 . 51342 1 1095 . 1 . 1 86 86 GLN HE21 H 1 6.960 0.005 . 2 . . . . . 86 GLN HE21 . 51342 1 1096 . 1 . 1 86 86 GLN HE22 H 1 7.620 0.005 . 2 . . . . . 86 GLN HE22 . 51342 1 1097 . 1 . 1 86 86 GLN C C 13 174.200 0.050 . 1 . . . . . 86 GLN C . 51342 1 1098 . 1 . 1 86 86 GLN CA C 13 58.020 0.050 . 1 . . . . . 86 GLN CA . 51342 1 1099 . 1 . 1 86 86 GLN CB C 13 28.490 0.050 . 1 . . . . . 86 GLN CB . 51342 1 1100 . 1 . 1 86 86 GLN CG C 13 33.780 0.050 . 1 . . . . . 86 GLN CG . 51342 1 1101 . 1 . 1 86 86 GLN N N 15 120.800 0.050 . 1 . . . . . 86 GLN N . 51342 1 1102 . 1 . 1 86 86 GLN NE2 N 15 112.280 0.050 . 1 . . . . . 86 GLN NE2 . 51342 1 1103 . 1 . 1 87 87 SER H H 1 7.390 0.005 . 1 . . . . . 87 SER HN . 51342 1 1104 . 1 . 1 87 87 SER HA H 1 5.130 0.005 . 1 . . . . . 87 SER HA . 51342 1 1105 . 1 . 1 87 87 SER HB2 H 1 4.200 0.005 . 2 . . . . . 87 SER HB1 . 51342 1 1106 . 1 . 1 87 87 SER HB3 H 1 4.210 0.005 . 2 . . . . . 87 SER HB2 . 51342 1 1107 . 1 . 1 87 87 SER C C 13 175.210 0.050 . 1 . . . . . 87 SER C . 51342 1 1108 . 1 . 1 87 87 SER CA C 13 56.540 0.050 . 1 . . . . . 87 SER CA . 51342 1 1109 . 1 . 1 87 87 SER CB C 13 66.990 0.050 . 1 . . . . . 87 SER CB . 51342 1 1110 . 1 . 1 87 87 SER N N 15 105.470 0.050 . 1 . . . . . 87 SER N . 51342 1 1111 . 1 . 1 88 88 ILE H H 1 9.630 0.005 . 1 . . . . . 88 ILE HN . 51342 1 1112 . 1 . 1 88 88 ILE HA H 1 3.800 0.005 . 1 . . . . . 88 ILE HA . 51342 1 1113 . 1 . 1 88 88 ILE HB H 1 1.480 0.005 . 1 . . . . . 88 ILE HB . 51342 1 1114 . 1 . 1 88 88 ILE HG12 H 1 0.810 0.005 . 2 . . . . . 88 ILE HG11 . 51342 1 1115 . 1 . 1 88 88 ILE HG13 H 1 1.390 0.005 . 2 . . . . . 88 ILE HG12 . 51342 1 1116 . 1 . 1 88 88 ILE HG21 H 1 0.170 0.005 . 1 . . . . . 88 ILE HG2# . 51342 1 1117 . 1 . 1 88 88 ILE HG22 H 1 0.170 0.005 . 1 . . . . . 88 ILE HG2# . 51342 1 1118 . 1 . 1 88 88 ILE HG23 H 1 0.170 0.005 . 1 . . . . . 88 ILE HG2# . 51342 1 1119 . 1 . 1 88 88 ILE HD11 H 1 0.570 0.005 . 1 . . . . . 88 ILE HD1# . 51342 1 1120 . 1 . 1 88 88 ILE HD12 H 1 0.570 0.005 . 1 . . . . . 88 ILE HD1# . 51342 1 1121 . 1 . 1 88 88 ILE HD13 H 1 0.570 0.005 . 1 . . . . . 88 ILE HD1# . 51342 1 1122 . 1 . 1 88 88 ILE C C 13 175.210 0.050 . 1 . . . . . 88 ILE C . 51342 1 1123 . 1 . 1 88 88 ILE CA C 13 63.940 0.050 . 1 . . . . . 88 ILE CA . 51342 1 1124 . 1 . 1 88 88 ILE CB C 13 37.640 0.050 . 1 . . . . . 88 ILE CB . 51342 1 1125 . 1 . 1 88 88 ILE CG1 C 13 29.350 0.050 . 1 . . . . . 88 ILE CG1 . 51342 1 1126 . 1 . 1 88 88 ILE CG2 C 13 15.660 0.050 . 1 . . . . . 88 ILE CG2 . 51342 1 1127 . 1 . 1 88 88 ILE CD1 C 13 14.440 0.050 . 1 . . . . . 88 ILE CD1 . 51342 1 1128 . 1 . 1 88 88 ILE N N 15 122.050 0.050 . 1 . . . . . 88 ILE N . 51342 1 1129 . 1 . 1 89 89 PHE H H 1 6.800 0.005 . 1 . . . . . 89 PHE HN . 51342 1 1130 . 1 . 1 89 89 PHE HA H 1 3.840 0.005 . 1 . . . . . 89 PHE HA . 51342 1 1131 . 1 . 1 89 89 PHE HB2 H 1 2.840 0.005 . 2 . . . . . 89 PHE HB1 . 51342 1 1132 . 1 . 1 89 89 PHE HB3 H 1 3.310 0.005 . 2 . . . . . 89 PHE HB2 . 51342 1 1133 . 1 . 1 89 89 PHE HD1 H 1 7.200 0.005 . 1 . . . . . 89 PHE HD . 51342 1 1134 . 1 . 1 89 89 PHE HD2 H 1 7.200 0.005 . 1 . . . . . 89 PHE HD . 51342 1 1135 . 1 . 1 89 89 PHE HE1 H 1 7.040 0.005 . 1 . . . . . 89 PHE HE . 51342 1 1136 . 1 . 1 89 89 PHE HE2 H 1 7.040 0.005 . 1 . . . . . 89 PHE HE . 51342 1 1137 . 1 . 1 89 89 PHE HZ H 1 7.020 0.005 . 1 . . . . . 89 PHE HZ . 51342 1 1138 . 1 . 1 89 89 PHE C C 13 178.090 0.050 . 1 . . . . . 89 PHE C . 51342 1 1139 . 1 . 1 89 89 PHE CA C 13 60.030 0.050 . 1 . . . . . 89 PHE CA . 51342 1 1140 . 1 . 1 89 89 PHE CB C 13 37.810 0.050 . 1 . . . . . 89 PHE CB . 51342 1 1141 . 1 . 1 89 89 PHE CD1 C 13 131.020 0.050 . 1 . . . . . 89 PHE CD . 51342 1 1142 . 1 . 1 89 89 PHE CD2 C 13 131.020 0.050 . 1 . . . . . 89 PHE CD . 51342 1 1143 . 1 . 1 89 89 PHE CE1 C 13 132.340 0.050 . 1 . . . . . 89 PHE CE . 51342 1 1144 . 1 . 1 89 89 PHE CE2 C 13 132.340 0.050 . 1 . . . . . 89 PHE CE . 51342 1 1145 . 1 . 1 89 89 PHE CZ C 13 132.050 0.050 . 1 . . . . . 89 PHE CZ . 51342 1 1146 . 1 . 1 89 89 PHE N N 15 121.220 0.050 . 1 . . . . . 89 PHE N . 51342 1 1147 . 1 . 1 90 90 ASP H H 1 7.820 0.005 . 1 . . . . . 90 ASP HN . 51342 1 1148 . 1 . 1 90 90 ASP HA H 1 4.310 0.005 . 1 . . . . . 90 ASP HA . 51342 1 1149 . 1 . 1 90 90 ASP HB2 H 1 2.730 0.005 . 2 . . . . . 90 ASP HB1 . 51342 1 1150 . 1 . 1 90 90 ASP HB3 H 1 2.900 0.005 . 2 . . . . . 90 ASP HB2 . 51342 1 1151 . 1 . 1 90 90 ASP C C 13 178.080 0.050 . 1 . . . . . 90 ASP C . 51342 1 1152 . 1 . 1 90 90 ASP CA C 13 57.090 0.050 . 1 . . . . . 90 ASP CA . 51342 1 1153 . 1 . 1 90 90 ASP CB C 13 41.510 0.050 . 1 . . . . . 90 ASP CB . 51342 1 1154 . 1 . 1 90 90 ASP N N 15 119.120 0.050 . 1 . . . . . 90 ASP N . 51342 1 1155 . 1 . 1 91 91 MET H H 1 7.000 0.005 . 1 . . . . . 91 MET HN . 51342 1 1156 . 1 . 1 91 91 MET HA H 1 2.000 0.005 . 1 . . . . . 91 MET HA . 51342 1 1157 . 1 . 1 91 91 MET HB2 H 1 1.120 0.005 . 2 . . . . . 91 MET HB1 . 51342 1 1158 . 1 . 1 91 91 MET HB3 H 1 1.120 0.005 . 2 . . . . . 91 MET HB2 . 51342 1 1159 . 1 . 1 91 91 MET HG2 H 1 1.380 0.005 . 2 . . . . . 91 MET HG1 . 51342 1 1160 . 1 . 1 91 91 MET HG3 H 1 1.380 0.005 . 2 . . . . . 91 MET HG2 . 51342 1 1161 . 1 . 1 91 91 MET HE1 H 1 1.680 0.005 . 1 . . . . . 91 MET HE# . 51342 1 1162 . 1 . 1 91 91 MET HE2 H 1 1.680 0.005 . 1 . . . . . 91 MET HE# . 51342 1 1163 . 1 . 1 91 91 MET HE3 H 1 1.680 0.005 . 1 . . . . . 91 MET HE# . 51342 1 1164 . 1 . 1 91 91 MET C C 13 176.100 0.050 . 1 . . . . . 91 MET C . 51342 1 1165 . 1 . 1 91 91 MET CA C 13 58.720 0.050 . 1 . . . . . 91 MET CA . 51342 1 1166 . 1 . 1 91 91 MET CB C 13 30.280 0.050 . 1 . . . . . 91 MET CB . 51342 1 1167 . 1 . 1 91 91 MET CG C 13 31.930 0.050 . 1 . . . . . 91 MET CG . 51342 1 1168 . 1 . 1 91 91 MET CE C 13 17.550 0.050 . 1 . . . . . 91 MET CE . 51342 1 1169 . 1 . 1 91 91 MET N N 15 121.600 0.050 . 1 . . . . . 91 MET N . 51342 1 1170 . 1 . 1 92 92 LEU H H 1 7.580 0.005 . 1 . . . . . 92 LEU HN . 51342 1 1171 . 1 . 1 92 92 LEU HA H 1 3.390 0.005 . 1 . . . . . 92 LEU HA . 51342 1 1172 . 1 . 1 92 92 LEU HB2 H 1 0.820 0.005 . 2 . . . . . 92 LEU HB1 . 51342 1 1173 . 1 . 1 92 92 LEU HB3 H 1 1.490 0.005 . 2 . . . . . 92 LEU HB2 . 51342 1 1174 . 1 . 1 92 92 LEU HG H 1 1.200 0.005 . 1 . . . . . 92 LEU HG . 51342 1 1175 . 1 . 1 92 92 LEU HD11 H 1 -0.070 0.005 . 2 . . . . . 92 LEU HD1# . 51342 1 1176 . 1 . 1 92 92 LEU HD12 H 1 -0.070 0.005 . 2 . . . . . 92 LEU HD1# . 51342 1 1177 . 1 . 1 92 92 LEU HD13 H 1 -0.070 0.005 . 2 . . . . . 92 LEU HD1# . 51342 1 1178 . 1 . 1 92 92 LEU HD21 H 1 -0.530 0.005 . 2 . . . . . 92 LEU HD2# . 51342 1 1179 . 1 . 1 92 92 LEU HD22 H 1 -0.530 0.005 . 2 . . . . . 92 LEU HD2# . 51342 1 1180 . 1 . 1 92 92 LEU HD23 H 1 -0.530 0.005 . 2 . . . . . 92 LEU HD2# . 51342 1 1181 . 1 . 1 92 92 LEU C C 13 179.260 0.050 . 1 . . . . . 92 LEU C . 51342 1 1182 . 1 . 1 92 92 LEU CA C 13 57.590 0.050 . 1 . . . . . 92 LEU CA . 51342 1 1183 . 1 . 1 92 92 LEU CB C 13 41.090 0.050 . 1 . . . . . 92 LEU CB . 51342 1 1184 . 1 . 1 92 92 LEU CG C 13 25.860 0.050 . 1 . . . . . 92 LEU CG . 51342 1 1185 . 1 . 1 92 92 LEU CD1 C 13 22.580 0.050 . 1 . . . . . 92 LEU CD1 . 51342 1 1186 . 1 . 1 92 92 LEU CD2 C 13 23.980 0.050 . 1 . . . . . 92 LEU CD2 . 51342 1 1187 . 1 . 1 92 92 LEU N N 15 117.900 0.050 . 1 . . . . . 92 LEU N . 51342 1 1188 . 1 . 1 93 93 GLU H H 1 7.470 0.005 . 1 . . . . . 93 GLU HN . 51342 1 1189 . 1 . 1 93 93 GLU HA H 1 3.990 0.005 . 1 . . . . . 93 GLU HA . 51342 1 1190 . 1 . 1 93 93 GLU HB2 H 1 2.000 0.005 . 2 . . . . . 93 GLU HB1 . 51342 1 1191 . 1 . 1 93 93 GLU HB3 H 1 2.000 0.005 . 2 . . . . . 93 GLU HB2 . 51342 1 1192 . 1 . 1 93 93 GLU HG2 H 1 2.270 0.005 . 2 . . . . . 93 GLU HG1 . 51342 1 1193 . 1 . 1 93 93 GLU HG3 H 1 2.270 0.005 . 2 . . . . . 93 GLU HG2 . 51342 1 1194 . 1 . 1 93 93 GLU C C 13 179.620 0.050 . 1 . . . . . 93 GLU C . 51342 1 1195 . 1 . 1 93 93 GLU CA C 13 58.480 0.050 . 1 . . . . . 93 GLU CA . 51342 1 1196 . 1 . 1 93 93 GLU CB C 13 29.370 0.050 . 1 . . . . . 93 GLU CB . 51342 1 1197 . 1 . 1 93 93 GLU CG C 13 35.810 0.050 . 1 . . . . . 93 GLU CG . 51342 1 1198 . 1 . 1 93 93 GLU N N 15 116.160 0.050 . 1 . . . . . 93 GLU N . 51342 1 1199 . 1 . 1 94 94 HIS H H 1 7.940 0.005 . 1 . . . . . 94 HIS HN . 51342 1 1200 . 1 . 1 94 94 HIS HA H 1 4.250 0.005 . 1 . . . . . 94 HIS HA . 51342 1 1201 . 1 . 1 94 94 HIS HB2 H 1 2.710 0.005 . 2 . . . . . 94 HIS HB1 . 51342 1 1202 . 1 . 1 94 94 HIS HB3 H 1 2.970 0.005 . 2 . . . . . 94 HIS HB2 . 51342 1 1203 . 1 . 1 94 94 HIS HD1 H 1 7.500 0.005 . 1 . . . . . 94 HIS HD1 . 51342 1 1204 . 1 . 1 94 94 HIS HD2 H 1 5.790 0.005 . 1 . . . . . 94 HIS HD2 . 51342 1 1205 . 1 . 1 94 94 HIS HE1 H 1 8.240 0.005 . 1 . . . . . 94 HIS HE1 . 51342 1 1206 . 1 . 1 94 94 HIS C C 13 178.720 0.050 . 1 . . . . . 94 HIS C . 51342 1 1207 . 1 . 1 94 94 HIS CA C 13 60.750 0.050 . 1 . . . . . 94 HIS CA . 51342 1 1208 . 1 . 1 94 94 HIS CB C 13 30.290 0.050 . 1 . . . . . 94 HIS CB . 51342 1 1209 . 1 . 1 94 94 HIS CD2 C 13 120.150 0.050 . 1 . . . . . 94 HIS CD2 . 51342 1 1210 . 1 . 1 94 94 HIS CE1 C 13 137.550 0.050 . 1 . . . . . 94 HIS CE1 . 51342 1 1211 . 1 . 1 94 94 HIS N N 15 120.570 0.050 . 1 . . . . . 94 HIS N . 51342 1 1212 . 1 . 1 94 94 HIS ND1 N 15 184.290 0.050 . 1 . . . . . 94 HIS ND1 . 51342 1 1213 . 1 . 1 95 95 PHE H H 1 7.700 0.005 . 1 . . . . . 95 PHE HN . 51342 1 1214 . 1 . 1 95 95 PHE HA H 1 5.680 0.005 . 1 . . . . . 95 PHE HA . 51342 1 1215 . 1 . 1 95 95 PHE HB2 H 1 2.490 0.005 . 2 . . . . . 95 PHE HB1 . 51342 1 1216 . 1 . 1 95 95 PHE HB3 H 1 3.350 0.005 . 2 . . . . . 95 PHE HB2 . 51342 1 1217 . 1 . 1 95 95 PHE HD1 H 1 7.170 0.005 . 1 . . . . . 95 PHE HD . 51342 1 1218 . 1 . 1 95 95 PHE HD2 H 1 7.170 0.005 . 1 . . . . . 95 PHE HD . 51342 1 1219 . 1 . 1 95 95 PHE HE1 H 1 7.050 0.005 . 1 . . . . . 95 PHE HE . 51342 1 1220 . 1 . 1 95 95 PHE HE2 H 1 7.050 0.005 . 1 . . . . . 95 PHE HE . 51342 1 1221 . 1 . 1 95 95 PHE HZ H 1 7.070 0.005 . 1 . . . . . 95 PHE HZ . 51342 1 1222 . 1 . 1 95 95 PHE C C 13 174.790 0.050 . 1 . . . . . 95 PHE C . 51342 1 1223 . 1 . 1 95 95 PHE CA C 13 57.210 0.050 . 1 . . . . . 95 PHE CA . 51342 1 1224 . 1 . 1 95 95 PHE CB C 13 37.540 0.050 . 1 . . . . . 95 PHE CB . 51342 1 1225 . 1 . 1 95 95 PHE CD1 C 13 131.690 0.050 . 1 . . . . . 95 PHE CD . 51342 1 1226 . 1 . 1 95 95 PHE CD2 C 13 131.690 0.050 . 1 . . . . . 95 PHE CD . 51342 1 1227 . 1 . 1 95 95 PHE CE1 C 13 130.680 0.050 . 1 . . . . . 95 PHE CE . 51342 1 1228 . 1 . 1 95 95 PHE CE2 C 13 130.680 0.050 . 1 . . . . . 95 PHE CE . 51342 1 1229 . 1 . 1 95 95 PHE CZ C 13 128.140 0.050 . 1 . . . . . 95 PHE CZ . 51342 1 1230 . 1 . 1 95 95 PHE N N 15 115.650 0.050 . 1 . . . . . 95 PHE N . 51342 1 1231 . 1 . 1 96 96 ARG H H 1 7.300 0.005 . 1 . . . . . 96 ARG HN . 51342 1 1232 . 1 . 1 96 96 ARG HA H 1 4.580 0.005 . 1 . . . . . 96 ARG HA . 51342 1 1233 . 1 . 1 96 96 ARG HB2 H 1 1.940 0.005 . 2 . . . . . 96 ARG HB1 . 51342 1 1234 . 1 . 1 96 96 ARG HB3 H 1 1.940 0.005 . 2 . . . . . 96 ARG HB2 . 51342 1 1235 . 1 . 1 96 96 ARG HG2 H 1 1.650 0.005 . 2 . . . . . 96 ARG HG1 . 51342 1 1236 . 1 . 1 96 96 ARG HG3 H 1 1.940 0.005 . 2 . . . . . 96 ARG HG2 . 51342 1 1237 . 1 . 1 96 96 ARG HD2 H 1 3.230 0.005 . 2 . . . . . 96 ARG HD1 . 51342 1 1238 . 1 . 1 96 96 ARG HD3 H 1 3.230 0.005 . 2 . . . . . 96 ARG HD2 . 51342 1 1239 . 1 . 1 96 96 ARG HE H 1 7.280 0.005 . 1 . . . . . 96 ARG HE . 51342 1 1240 . 1 . 1 96 96 ARG C C 13 177.280 0.050 . 1 . . . . . 96 ARG C . 51342 1 1241 . 1 . 1 96 96 ARG CA C 13 57.970 0.050 . 1 . . . . . 96 ARG CA . 51342 1 1242 . 1 . 1 96 96 ARG CB C 13 31.100 0.050 . 1 . . . . . 96 ARG CB . 51342 1 1243 . 1 . 1 96 96 ARG CG C 13 27.550 0.050 . 1 . . . . . 96 ARG CG . 51342 1 1244 . 1 . 1 96 96 ARG CD C 13 43.360 0.050 . 1 . . . . . 96 ARG CD . 51342 1 1245 . 1 . 1 96 96 ARG N N 15 117.400 0.050 . 1 . . . . . 96 ARG N . 51342 1 1246 . 1 . 1 96 96 ARG NE N 15 84.530 0.050 . 1 . . . . . 96 ARG NE . 51342 1 1247 . 1 . 1 97 97 VAL H H 1 6.960 0.005 . 1 . . . . . 97 VAL HN . 51342 1 1248 . 1 . 1 97 97 VAL HA H 1 4.120 0.005 . 1 . . . . . 97 VAL HA . 51342 1 1249 . 1 . 1 97 97 VAL HB H 1 1.830 0.005 . 1 . . . . . 97 VAL HB . 51342 1 1250 . 1 . 1 97 97 VAL HG11 H 1 0.760 0.005 . 2 . . . . . 97 VAL HG1# . 51342 1 1251 . 1 . 1 97 97 VAL HG12 H 1 0.760 0.005 . 2 . . . . . 97 VAL HG1# . 51342 1 1252 . 1 . 1 97 97 VAL HG13 H 1 0.760 0.005 . 2 . . . . . 97 VAL HG1# . 51342 1 1253 . 1 . 1 97 97 VAL HG21 H 1 0.570 0.005 . 2 . . . . . 97 VAL HG2# . 51342 1 1254 . 1 . 1 97 97 VAL HG22 H 1 0.570 0.005 . 2 . . . . . 97 VAL HG2# . 51342 1 1255 . 1 . 1 97 97 VAL HG23 H 1 0.570 0.005 . 2 . . . . . 97 VAL HG2# . 51342 1 1256 . 1 . 1 97 97 VAL C C 13 174.400 0.050 . 1 . . . . . 97 VAL C . 51342 1 1257 . 1 . 1 97 97 VAL CA C 13 62.010 0.050 . 1 . . . . . 97 VAL CA . 51342 1 1258 . 1 . 1 97 97 VAL CB C 13 34.580 0.050 . 1 . . . . . 97 VAL CB . 51342 1 1259 . 1 . 1 97 97 VAL CG1 C 13 20.280 0.050 . 1 . . . . . 97 VAL CG1 . 51342 1 1260 . 1 . 1 97 97 VAL CG2 C 13 20.870 0.050 . 1 . . . . . 97 VAL CG2 . 51342 1 1261 . 1 . 1 97 97 VAL N N 15 111.750 0.050 . 1 . . . . . 97 VAL N . 51342 1 1262 . 1 . 1 98 98 HIS H H 1 8.250 0.005 . 1 . . . . . 98 HIS HN . 51342 1 1263 . 1 . 1 98 98 HIS HA H 1 4.840 0.005 . 1 . . . . . 98 HIS HA . 51342 1 1264 . 1 . 1 98 98 HIS HB2 H 1 2.310 0.005 . 2 . . . . . 98 HIS HB1 . 51342 1 1265 . 1 . 1 98 98 HIS HB3 H 1 3.100 0.005 . 2 . . . . . 98 HIS HB2 . 51342 1 1266 . 1 . 1 98 98 HIS HD2 H 1 6.780 0.005 . 1 . . . . . 98 HIS HD2 . 51342 1 1267 . 1 . 1 98 98 HIS HE1 H 1 7.470 0.005 . 1 . . . . . 98 HIS HE1 . 51342 1 1268 . 1 . 1 98 98 HIS C C 13 170.830 0.050 . 1 . . . . . 98 HIS C . 51342 1 1269 . 1 . 1 98 98 HIS CA C 13 52.370 0.050 . 1 . . . . . 98 HIS CA . 51342 1 1270 . 1 . 1 98 98 HIS CB C 13 29.060 0.050 . 1 . . . . . 98 HIS CB . 51342 1 1271 . 1 . 1 98 98 HIS CD2 C 13 121.220 0.050 . 1 . . . . . 98 HIS CD2 . 51342 1 1272 . 1 . 1 98 98 HIS CE1 C 13 138.420 0.050 . 1 . . . . . 98 HIS CE1 . 51342 1 1273 . 1 . 1 98 98 HIS N N 15 121.570 0.050 . 1 . . . . . 98 HIS N . 51342 1 1274 . 1 . 1 98 98 HIS ND1 N 15 182.980 0.050 . 1 . . . . . 98 HIS ND1 . 51342 1 1275 . 1 . 1 99 99 PRO HA H 1 4.540 0.005 . 1 . . . . . 99 PRO HA . 51342 1 1276 . 1 . 1 99 99 PRO HB2 H 1 1.870 0.005 . 2 . . . . . 99 PRO HB1 . 51342 1 1277 . 1 . 1 99 99 PRO HB3 H 1 2.070 0.005 . 2 . . . . . 99 PRO HB2 . 51342 1 1278 . 1 . 1 99 99 PRO HG2 H 1 1.930 0.005 . 2 . . . . . 99 PRO HG1 . 51342 1 1279 . 1 . 1 99 99 PRO HG3 H 1 2.060 0.005 . 2 . . . . . 99 PRO HG2 . 51342 1 1280 . 1 . 1 99 99 PRO HD2 H 1 3.740 0.005 . 2 . . . . . 99 PRO HD1 . 51342 1 1281 . 1 . 1 99 99 PRO HD3 H 1 3.740 0.005 . 2 . . . . . 99 PRO HD2 . 51342 1 1282 . 1 . 1 99 99 PRO C C 13 177.400 0.050 . 1 . . . . . 99 PRO C . 51342 1 1283 . 1 . 1 99 99 PRO CA C 13 61.990 0.050 . 1 . . . . . 99 PRO CA . 51342 1 1284 . 1 . 1 99 99 PRO CB C 13 32.830 0.050 . 1 . . . . . 99 PRO CB . 51342 1 1285 . 1 . 1 99 99 PRO CG C 13 27.650 0.050 . 1 . . . . . 99 PRO CG . 51342 1 1286 . 1 . 1 99 99 PRO CD C 13 50.620 0.050 . 1 . . . . . 99 PRO CD . 51342 1 1287 . 1 . 1 100 100 ILE H H 1 8.120 0.005 . 1 . . . . . 100 ILE HN . 51342 1 1288 . 1 . 1 100 100 ILE HA H 1 3.600 0.005 . 1 . . . . . 100 ILE HA . 51342 1 1289 . 1 . 1 100 100 ILE HB H 1 1.130 0.005 . 1 . . . . . 100 ILE HB . 51342 1 1290 . 1 . 1 100 100 ILE HG12 H 1 -0.370 0.005 . 2 . . . . . 100 ILE HG11 . 51342 1 1291 . 1 . 1 100 100 ILE HG13 H 1 1.130 0.005 . 2 . . . . . 100 ILE HG12 . 51342 1 1292 . 1 . 1 100 100 ILE HG21 H 1 0.240 0.005 . 1 . . . . . 100 ILE HG2# . 51342 1 1293 . 1 . 1 100 100 ILE HG22 H 1 0.240 0.005 . 1 . . . . . 100 ILE HG2# . 51342 1 1294 . 1 . 1 100 100 ILE HG23 H 1 0.240 0.005 . 1 . . . . . 100 ILE HG2# . 51342 1 1295 . 1 . 1 100 100 ILE HD11 H 1 -0.380 0.005 . 1 . . . . . 100 ILE HD1# . 51342 1 1296 . 1 . 1 100 100 ILE HD12 H 1 -0.380 0.005 . 1 . . . . . 100 ILE HD1# . 51342 1 1297 . 1 . 1 100 100 ILE HD13 H 1 -0.380 0.005 . 1 . . . . . 100 ILE HD1# . 51342 1 1298 . 1 . 1 100 100 ILE C C 13 175.230 0.050 . 1 . . . . . 100 ILE C . 51342 1 1299 . 1 . 1 100 100 ILE CA C 13 59.240 0.050 . 1 . . . . . 100 ILE CA . 51342 1 1300 . 1 . 1 100 100 ILE CB C 13 39.280 0.050 . 1 . . . . . 100 ILE CB . 51342 1 1301 . 1 . 1 100 100 ILE CG1 C 13 27.260 0.050 . 1 . . . . . 100 ILE CG1 . 51342 1 1302 . 1 . 1 100 100 ILE CG2 C 13 16.380 0.050 . 1 . . . . . 100 ILE CG2 . 51342 1 1303 . 1 . 1 100 100 ILE CD1 C 13 12.240 0.050 . 1 . . . . . 100 ILE CD1 . 51342 1 1304 . 1 . 1 100 100 ILE N N 15 123.150 0.050 . 1 . . . . . 100 ILE N . 51342 1 1305 . 1 . 1 101 101 PRO HA H 1 4.690 0.005 . 1 . . . . . 101 PRO HA . 51342 1 1306 . 1 . 1 101 101 PRO HB2 H 1 2.130 0.005 . 2 . . . . . 101 PRO HB1 . 51342 1 1307 . 1 . 1 101 101 PRO HB3 H 1 2.160 0.005 . 2 . . . . . 101 PRO HB2 . 51342 1 1308 . 1 . 1 101 101 PRO HG2 H 1 2.150 0.005 . 2 . . . . . 101 PRO HG1 . 51342 1 1309 . 1 . 1 101 101 PRO HG3 H 1 2.140 0.005 . 2 . . . . . 101 PRO HG2 . 51342 1 1310 . 1 . 1 101 101 PRO HD2 H 1 3.310 0.005 . 2 . . . . . 101 PRO HD1 . 51342 1 1311 . 1 . 1 101 101 PRO HD3 H 1 4.040 0.005 . 2 . . . . . 101 PRO HD2 . 51342 1 1312 . 1 . 1 101 101 PRO C C 13 175.870 0.050 . 1 . . . . . 101 PRO C . 51342 1 1313 . 1 . 1 101 101 PRO CA C 13 62.720 0.050 . 1 . . . . . 101 PRO CA . 51342 1 1314 . 1 . 1 101 101 PRO CB C 13 31.200 0.050 . 1 . . . . . 101 PRO CB . 51342 1 1315 . 1 . 1 101 101 PRO CG C 13 27.320 0.050 . 1 . . . . . 101 PRO CG . 51342 1 1316 . 1 . 1 101 101 PRO CD C 13 51.140 0.050 . 1 . . . . . 101 PRO CD . 51342 1 1317 . 1 . 1 102 102 LEU H H 1 8.180 0.005 . 1 . . . . . 102 LEU HN . 51342 1 1318 . 1 . 1 102 102 LEU HA H 1 4.440 0.005 . 1 . . . . . 102 LEU HA . 51342 1 1319 . 1 . 1 102 102 LEU HB2 H 1 1.510 0.005 . 2 . . . . . 102 LEU HB1 . 51342 1 1320 . 1 . 1 102 102 LEU HB3 H 1 1.520 0.005 . 2 . . . . . 102 LEU HB2 . 51342 1 1321 . 1 . 1 102 102 LEU HD11 H 1 0.700 0.005 . 2 . . . . . 102 LEU HD1# . 51342 1 1322 . 1 . 1 102 102 LEU HD12 H 1 0.700 0.005 . 2 . . . . . 102 LEU HD1# . 51342 1 1323 . 1 . 1 102 102 LEU HD13 H 1 0.700 0.005 . 2 . . . . . 102 LEU HD1# . 51342 1 1324 . 1 . 1 102 102 LEU HD21 H 1 0.650 0.005 . 2 . . . . . 102 LEU HD2# . 51342 1 1325 . 1 . 1 102 102 LEU HD22 H 1 0.650 0.005 . 2 . . . . . 102 LEU HD2# . 51342 1 1326 . 1 . 1 102 102 LEU HD23 H 1 0.650 0.005 . 2 . . . . . 102 LEU HD2# . 51342 1 1327 . 1 . 1 102 102 LEU C C 13 178.260 0.050 . 1 . . . . . 102 LEU C . 51342 1 1328 . 1 . 1 102 102 LEU CA C 13 54.080 0.050 . 1 . . . . . 102 LEU CA . 51342 1 1329 . 1 . 1 102 102 LEU CB C 13 43.330 0.050 . 1 . . . . . 102 LEU CB . 51342 1 1330 . 1 . 1 102 102 LEU CG C 13 26.820 0.050 . 1 . . . . . 102 LEU CG . 51342 1 1331 . 1 . 1 102 102 LEU CD1 C 13 23.210 0.050 . 1 . . . . . 102 LEU CD1 . 51342 1 1332 . 1 . 1 102 102 LEU CD2 C 13 25.600 0.050 . 1 . . . . . 102 LEU CD2 . 51342 1 1333 . 1 . 1 102 102 LEU N N 15 122.410 0.050 . 1 . . . . . 102 LEU N . 51342 1 1334 . 1 . 1 103 103 GLU H H 1 8.970 0.005 . 1 . . . . . 103 GLU HN . 51342 1 1335 . 1 . 1 103 103 GLU HA H 1 4.170 0.005 . 1 . . . . . 103 GLU HA . 51342 1 1336 . 1 . 1 103 103 GLU HB2 H 1 2.100 0.005 . 2 . . . . . 103 GLU HB1 . 51342 1 1337 . 1 . 1 103 103 GLU HB3 H 1 2.090 0.005 . 2 . . . . . 103 GLU HB2 . 51342 1 1338 . 1 . 1 103 103 GLU HG2 H 1 2.350 0.005 . 2 . . . . . 103 GLU HG1 . 51342 1 1339 . 1 . 1 103 103 GLU HG3 H 1 2.350 0.005 . 2 . . . . . 103 GLU HG2 . 51342 1 1340 . 1 . 1 103 103 GLU C C 13 176.920 0.050 . 1 . . . . . 103 GLU C . 51342 1 1341 . 1 . 1 103 103 GLU CA C 13 58.210 0.050 . 1 . . . . . 103 GLU CA . 51342 1 1342 . 1 . 1 103 103 GLU CB C 13 29.450 0.050 . 1 . . . . . 103 GLU CB . 51342 1 1343 . 1 . 1 103 103 GLU CG C 13 36.500 0.050 . 1 . . . . . 103 GLU CG . 51342 1 1344 . 1 . 1 103 103 GLU N N 15 121.920 0.050 . 1 . . . . . 103 GLU N . 51342 1 1345 . 1 . 1 104 104 SER H H 1 8.010 0.005 . 1 . . . . . 104 SER HN . 51342 1 1346 . 1 . 1 104 104 SER HA H 1 4.430 0.005 . 1 . . . . . 104 SER HA . 51342 1 1347 . 1 . 1 104 104 SER HB2 H 1 3.930 0.005 . 2 . . . . . 104 SER HB1 . 51342 1 1348 . 1 . 1 104 104 SER HB3 H 1 4.010 0.005 . 2 . . . . . 104 SER HB2 . 51342 1 1349 . 1 . 1 104 104 SER C C 13 175.120 0.050 . 1 . . . . . 104 SER C . 51342 1 1350 . 1 . 1 104 104 SER CA C 13 58.320 0.050 . 1 . . . . . 104 SER CA . 51342 1 1351 . 1 . 1 104 104 SER CB C 13 63.580 0.050 . 1 . . . . . 104 SER CB . 51342 1 1352 . 1 . 1 104 104 SER N N 15 112.680 0.050 . 1 . . . . . 104 SER N . 51342 1 1353 . 1 . 1 105 105 GLY H H 1 8.220 0.005 . 1 . . . . . 105 GLY HN . 51342 1 1354 . 1 . 1 105 105 GLY HA2 H 1 3.870 0.005 . 2 . . . . . 105 GLY HA1 . 51342 1 1355 . 1 . 1 105 105 GLY HA3 H 1 4.260 0.005 . 2 . . . . . 105 GLY HA2 . 51342 1 1356 . 1 . 1 105 105 GLY C C 13 174.590 0.050 . 1 . . . . . 105 GLY C . 51342 1 1357 . 1 . 1 105 105 GLY CA C 13 45.330 0.050 . 1 . . . . . 105 GLY CA . 51342 1 1358 . 1 . 1 105 105 GLY N N 15 110.730 0.050 . 1 . . . . . 105 GLY N . 51342 1 1359 . 1 . 1 106 106 GLY H H 1 8.230 0.005 . 1 . . . . . 106 GLY HN . 51342 1 1360 . 1 . 1 106 106 GLY HA2 H 1 4.070 0.005 . 2 . . . . . 106 GLY HA1 . 51342 1 1361 . 1 . 1 106 106 GLY HA3 H 1 4.060 0.005 . 2 . . . . . 106 GLY HA2 . 51342 1 1362 . 1 . 1 106 106 GLY C C 13 173.690 0.050 . 1 . . . . . 106 GLY C . 51342 1 1363 . 1 . 1 106 106 GLY CA C 13 44.950 0.050 . 1 . . . . . 106 GLY CA . 51342 1 1364 . 1 . 1 106 106 GLY N N 15 108.700 0.050 . 1 . . . . . 106 GLY N . 51342 1 1365 . 1 . 1 107 107 SER H H 1 8.470 0.005 . 1 . . . . . 107 SER HN . 51342 1 1366 . 1 . 1 107 107 SER HA H 1 4.590 0.005 . 1 . . . . . 107 SER HA . 51342 1 1367 . 1 . 1 107 107 SER HB2 H 1 3.920 0.005 . 2 . . . . . 107 SER HB1 . 51342 1 1368 . 1 . 1 107 107 SER HB3 H 1 3.920 0.005 . 2 . . . . . 107 SER HB2 . 51342 1 1369 . 1 . 1 107 107 SER C C 13 174.750 0.050 . 1 . . . . . 107 SER C . 51342 1 1370 . 1 . 1 107 107 SER CA C 13 58.430 0.050 . 1 . . . . . 107 SER CA . 51342 1 1371 . 1 . 1 107 107 SER CB C 13 64.190 0.050 . 1 . . . . . 107 SER CB . 51342 1 1372 . 1 . 1 107 107 SER N N 15 115.010 0.050 . 1 . . . . . 107 SER N . 51342 1 1373 . 1 . 1 108 108 SER H H 1 8.200 0.005 . 1 . . . . . 108 SER HN . 51342 1 1374 . 1 . 1 108 108 SER HA H 1 4.600 0.005 . 1 . . . . . 108 SER HA . 51342 1 1375 . 1 . 1 108 108 SER HB2 H 1 3.930 0.005 . 2 . . . . . 108 SER HB1 . 51342 1 1376 . 1 . 1 108 108 SER HB3 H 1 3.810 0.005 . 2 . . . . . 108 SER HB2 . 51342 1 1377 . 1 . 1 108 108 SER C C 13 173.390 0.050 . 1 . . . . . 108 SER C . 51342 1 1378 . 1 . 1 108 108 SER CA C 13 58.440 0.050 . 1 . . . . . 108 SER CA . 51342 1 1379 . 1 . 1 108 108 SER CB C 13 64.650 0.050 . 1 . . . . . 108 SER CB . 51342 1 1380 . 1 . 1 108 108 SER N N 15 118.270 0.050 . 1 . . . . . 108 SER N . 51342 1 1381 . 1 . 1 109 109 ASP H H 1 8.370 0.005 . 1 . . . . . 109 ASP HN . 51342 1 1382 . 1 . 1 109 109 ASP HA H 1 4.760 0.005 . 1 . . . . . 109 ASP HA . 51342 1 1383 . 1 . 1 109 109 ASP HB2 H 1 2.780 0.005 . 2 . . . . . 109 ASP HB1 . 51342 1 1384 . 1 . 1 109 109 ASP HB3 H 1 2.780 0.005 . 2 . . . . . 109 ASP HB2 . 51342 1 1385 . 1 . 1 109 109 ASP C C 13 175.720 0.050 . 1 . . . . . 109 ASP C . 51342 1 1386 . 1 . 1 109 109 ASP CA C 13 54.160 0.050 . 1 . . . . . 109 ASP CA . 51342 1 1387 . 1 . 1 109 109 ASP CB C 13 41.420 0.050 . 1 . . . . . 109 ASP CB . 51342 1 1388 . 1 . 1 109 109 ASP N N 15 119.810 0.050 . 1 . . . . . 109 ASP N . 51342 1 1389 . 1 . 1 110 110 VAL H H 1 8.380 0.005 . 1 . . . . . 110 VAL HN . 51342 1 1390 . 1 . 1 110 110 VAL HA H 1 4.480 0.005 . 1 . . . . . 110 VAL HA . 51342 1 1391 . 1 . 1 110 110 VAL HB H 1 2.150 0.005 . 1 . . . . . 110 VAL HB . 51342 1 1392 . 1 . 1 110 110 VAL HG11 H 1 0.900 0.005 . 2 . . . . . 110 VAL HG1# . 51342 1 1393 . 1 . 1 110 110 VAL HG12 H 1 0.900 0.005 . 2 . . . . . 110 VAL HG1# . 51342 1 1394 . 1 . 1 110 110 VAL HG13 H 1 0.900 0.005 . 2 . . . . . 110 VAL HG1# . 51342 1 1395 . 1 . 1 110 110 VAL HG21 H 1 0.790 0.005 . 2 . . . . . 110 VAL HG2# . 51342 1 1396 . 1 . 1 110 110 VAL HG22 H 1 0.790 0.005 . 2 . . . . . 110 VAL HG2# . 51342 1 1397 . 1 . 1 110 110 VAL HG23 H 1 0.790 0.005 . 2 . . . . . 110 VAL HG2# . 51342 1 1398 . 1 . 1 110 110 VAL C C 13 172.390 0.050 . 1 . . . . . 110 VAL C . 51342 1 1399 . 1 . 1 110 110 VAL CA C 13 61.790 0.050 . 1 . . . . . 110 VAL CA . 51342 1 1400 . 1 . 1 110 110 VAL CB C 13 33.840 0.050 . 1 . . . . . 110 VAL CB . 51342 1 1401 . 1 . 1 110 110 VAL CG1 C 13 20.620 0.050 . 1 . . . . . 110 VAL CG1 . 51342 1 1402 . 1 . 1 110 110 VAL CG2 C 13 21.480 0.050 . 1 . . . . . 110 VAL CG2 . 51342 1 1403 . 1 . 1 110 110 VAL N N 15 121.220 0.050 . 1 . . . . . 110 VAL N . 51342 1 1404 . 1 . 1 111 111 VAL H H 1 7.340 0.005 . 1 . . . . . 111 VAL HN . 51342 1 1405 . 1 . 1 111 111 VAL HA H 1 4.560 0.005 . 1 . . . . . 111 VAL HA . 51342 1 1406 . 1 . 1 111 111 VAL HB H 1 2.030 0.005 . 1 . . . . . 111 VAL HB . 51342 1 1407 . 1 . 1 111 111 VAL HG11 H 1 0.660 0.005 . 2 . . . . . 111 VAL HG1# . 51342 1 1408 . 1 . 1 111 111 VAL HG12 H 1 0.660 0.005 . 2 . . . . . 111 VAL HG1# . 51342 1 1409 . 1 . 1 111 111 VAL HG13 H 1 0.660 0.005 . 2 . . . . . 111 VAL HG1# . 51342 1 1410 . 1 . 1 111 111 VAL HG21 H 1 0.470 0.005 . 2 . . . . . 111 VAL HG2# . 51342 1 1411 . 1 . 1 111 111 VAL HG22 H 1 0.470 0.005 . 2 . . . . . 111 VAL HG2# . 51342 1 1412 . 1 . 1 111 111 VAL HG23 H 1 0.470 0.005 . 2 . . . . . 111 VAL HG2# . 51342 1 1413 . 1 . 1 111 111 VAL C C 13 175.530 0.050 . 1 . . . . . 111 VAL C . 51342 1 1414 . 1 . 1 111 111 VAL CA C 13 58.660 0.050 . 1 . . . . . 111 VAL CA . 51342 1 1415 . 1 . 1 111 111 VAL CB C 13 33.960 0.050 . 1 . . . . . 111 VAL CB . 51342 1 1416 . 1 . 1 111 111 VAL CG1 C 13 18.330 0.050 . 1 . . . . . 111 VAL CG1 . 51342 1 1417 . 1 . 1 111 111 VAL CG2 C 13 21.260 0.050 . 1 . . . . . 111 VAL CG2 . 51342 1 1418 . 1 . 1 111 111 VAL N N 15 118.790 0.050 . 1 . . . . . 111 VAL N . 51342 1 1419 . 1 . 1 112 112 LEU H H 1 8.230 0.005 . 1 . . . . . 112 LEU HN . 51342 1 1420 . 1 . 1 112 112 LEU HA H 1 4.530 0.005 . 1 . . . . . 112 LEU HA . 51342 1 1421 . 1 . 1 112 112 LEU HB2 H 1 1.000 0.005 . 2 . . . . . 112 LEU HB1 . 51342 1 1422 . 1 . 1 112 112 LEU HB3 H 1 1.170 0.005 . 2 . . . . . 112 LEU HB2 . 51342 1 1423 . 1 . 1 112 112 LEU HG H 1 1.150 0.005 . 1 . . . . . 112 LEU HG . 51342 1 1424 . 1 . 1 112 112 LEU HD11 H 1 0.070 0.005 . 2 . . . . . 112 LEU HD1# . 51342 1 1425 . 1 . 1 112 112 LEU HD12 H 1 0.070 0.005 . 2 . . . . . 112 LEU HD1# . 51342 1 1426 . 1 . 1 112 112 LEU HD13 H 1 0.070 0.005 . 2 . . . . . 112 LEU HD1# . 51342 1 1427 . 1 . 1 112 112 LEU HD21 H 1 -0.050 0.005 . 2 . . . . . 112 LEU HD2# . 51342 1 1428 . 1 . 1 112 112 LEU HD22 H 1 -0.050 0.005 . 2 . . . . . 112 LEU HD2# . 51342 1 1429 . 1 . 1 112 112 LEU HD23 H 1 -0.050 0.005 . 2 . . . . . 112 LEU HD2# . 51342 1 1430 . 1 . 1 112 112 LEU C C 13 177.740 0.050 . 1 . . . . . 112 LEU C . 51342 1 1431 . 1 . 1 112 112 LEU CA C 13 54.010 0.050 . 1 . . . . . 112 LEU CA . 51342 1 1432 . 1 . 1 112 112 LEU CB C 13 40.080 0.050 . 1 . . . . . 112 LEU CB . 51342 1 1433 . 1 . 1 112 112 LEU CG C 13 25.740 0.050 . 1 . . . . . 112 LEU CG . 51342 1 1434 . 1 . 1 112 112 LEU CD1 C 13 20.950 0.050 . 1 . . . . . 112 LEU CD1 . 51342 1 1435 . 1 . 1 112 112 LEU CD2 C 13 25.630 0.050 . 1 . . . . . 112 LEU CD2 . 51342 1 1436 . 1 . 1 112 112 LEU N N 15 118.880 0.050 . 1 . . . . . 112 LEU N . 51342 1 1437 . 1 . 1 113 113 VAL H H 1 8.950 0.005 . 1 . . . . . 113 VAL HN . 51342 1 1438 . 1 . 1 113 113 VAL HA H 1 4.220 0.005 . 1 . . . . . 113 VAL HA . 51342 1 1439 . 1 . 1 113 113 VAL HB H 1 1.960 0.005 . 1 . . . . . 113 VAL HB . 51342 1 1440 . 1 . 1 113 113 VAL HG11 H 1 1.100 0.005 . 2 . . . . . 113 VAL HG1# . 51342 1 1441 . 1 . 1 113 113 VAL HG12 H 1 1.100 0.005 . 2 . . . . . 113 VAL HG1# . 51342 1 1442 . 1 . 1 113 113 VAL HG13 H 1 1.100 0.005 . 2 . . . . . 113 VAL HG1# . 51342 1 1443 . 1 . 1 113 113 VAL HG21 H 1 1.060 0.005 . 2 . . . . . 113 VAL HG2# . 51342 1 1444 . 1 . 1 113 113 VAL HG22 H 1 1.060 0.005 . 2 . . . . . 113 VAL HG2# . 51342 1 1445 . 1 . 1 113 113 VAL HG23 H 1 1.060 0.005 . 2 . . . . . 113 VAL HG2# . 51342 1 1446 . 1 . 1 113 113 VAL C C 13 175.960 0.050 . 1 . . . . . 113 VAL C . 51342 1 1447 . 1 . 1 113 113 VAL CA C 13 63.940 0.050 . 1 . . . . . 113 VAL CA . 51342 1 1448 . 1 . 1 113 113 VAL CB C 13 34.050 0.050 . 1 . . . . . 113 VAL CB . 51342 1 1449 . 1 . 1 113 113 VAL CG1 C 13 21.380 0.050 . 1 . . . . . 113 VAL CG1 . 51342 1 1450 . 1 . 1 113 113 VAL CG2 C 13 21.520 0.050 . 1 . . . . . 113 VAL CG2 . 51342 1 1451 . 1 . 1 113 113 VAL N N 15 122.350 0.050 . 1 . . . . . 113 VAL N . 51342 1 1452 . 1 . 1 114 114 SER H H 1 7.560 0.005 . 1 . . . . . 114 SER HN . 51342 1 1453 . 1 . 1 114 114 SER HA H 1 4.680 0.005 . 1 . . . . . 114 SER HA . 51342 1 1454 . 1 . 1 114 114 SER HB2 H 1 3.830 0.005 . 2 . . . . . 114 SER HB1 . 51342 1 1455 . 1 . 1 114 114 SER HB3 H 1 3.830 0.005 . 2 . . . . . 114 SER HB2 . 51342 1 1456 . 1 . 1 114 114 SER C C 13 170.990 0.050 . 1 . . . . . 114 SER C . 51342 1 1457 . 1 . 1 114 114 SER CA C 13 57.290 0.050 . 1 . . . . . 114 SER CA . 51342 1 1458 . 1 . 1 114 114 SER CB C 13 64.260 0.050 . 1 . . . . . 114 SER CB . 51342 1 1459 . 1 . 1 114 114 SER N N 15 112.350 0.050 . 1 . . . . . 114 SER N . 51342 1 1460 . 1 . 1 115 115 TYR H H 1 7.090 0.005 . 1 . . . . . 115 TYR HN . 51342 1 1461 . 1 . 1 115 115 TYR HA H 1 5.390 0.005 . 1 . . . . . 115 TYR HA . 51342 1 1462 . 1 . 1 115 115 TYR HB2 H 1 1.870 0.005 . 2 . . . . . 115 TYR HB1 . 51342 1 1463 . 1 . 1 115 115 TYR HB3 H 1 2.610 0.005 . 2 . . . . . 115 TYR HB2 . 51342 1 1464 . 1 . 1 115 115 TYR HD1 H 1 6.830 0.005 . 1 . . . . . 115 TYR HD . 51342 1 1465 . 1 . 1 115 115 TYR HD2 H 1 6.830 0.005 . 1 . . . . . 115 TYR HD . 51342 1 1466 . 1 . 1 115 115 TYR HE1 H 1 6.900 0.005 . 1 . . . . . 115 TYR HE . 51342 1 1467 . 1 . 1 115 115 TYR HE2 H 1 6.900 0.005 . 1 . . . . . 115 TYR HE . 51342 1 1468 . 1 . 1 115 115 TYR C C 13 176.560 0.050 . 1 . . . . . 115 TYR C . 51342 1 1469 . 1 . 1 115 115 TYR CA C 13 53.340 0.050 . 1 . . . . . 115 TYR CA . 51342 1 1470 . 1 . 1 115 115 TYR CB C 13 40.280 0.050 . 1 . . . . . 115 TYR CB . 51342 1 1471 . 1 . 1 115 115 TYR CD1 C 13 134.000 0.050 . 1 . . . . . 115 TYR CD . 51342 1 1472 . 1 . 1 115 115 TYR CD2 C 13 134.000 0.050 . 1 . . . . . 115 TYR CD . 51342 1 1473 . 1 . 1 115 115 TYR CE1 C 13 118.310 0.050 . 1 . . . . . 115 TYR CE . 51342 1 1474 . 1 . 1 115 115 TYR CE2 C 13 118.310 0.050 . 1 . . . . . 115 TYR CE . 51342 1 1475 . 1 . 1 115 115 TYR N N 15 114.120 0.050 . 1 . . . . . 115 TYR N . 51342 1 1476 . 1 . 1 116 116 VAL H H 1 8.040 0.005 . 1 . . . . . 116 VAL HN . 51342 1 1477 . 1 . 1 116 116 VAL HA H 1 4.470 0.005 . 1 . . . . . 116 VAL HA . 51342 1 1478 . 1 . 1 116 116 VAL HB H 1 1.950 0.005 . 1 . . . . . 116 VAL HB . 51342 1 1479 . 1 . 1 116 116 VAL HG11 H 1 0.850 0.005 . 2 . . . . . 116 VAL HG1# . 51342 1 1480 . 1 . 1 116 116 VAL HG12 H 1 0.850 0.005 . 2 . . . . . 116 VAL HG1# . 51342 1 1481 . 1 . 1 116 116 VAL HG13 H 1 0.850 0.005 . 2 . . . . . 116 VAL HG1# . 51342 1 1482 . 1 . 1 116 116 VAL HG21 H 1 0.860 0.005 . 2 . . . . . 116 VAL HG2# . 51342 1 1483 . 1 . 1 116 116 VAL HG22 H 1 0.860 0.005 . 2 . . . . . 116 VAL HG2# . 51342 1 1484 . 1 . 1 116 116 VAL HG23 H 1 0.860 0.005 . 2 . . . . . 116 VAL HG2# . 51342 1 1485 . 1 . 1 116 116 VAL C C 13 174.900 0.050 . 1 . . . . . 116 VAL C . 51342 1 1486 . 1 . 1 116 116 VAL CA C 13 59.350 0.050 . 1 . . . . . 116 VAL CA . 51342 1 1487 . 1 . 1 116 116 VAL CB C 13 32.810 0.050 . 1 . . . . . 116 VAL CB . 51342 1 1488 . 1 . 1 116 116 VAL CG1 C 13 21.450 0.050 . 1 . . . . . 116 VAL CG1 . 51342 1 1489 . 1 . 1 116 116 VAL CG2 C 13 21.550 0.050 . 1 . . . . . 116 VAL CG2 . 51342 1 1490 . 1 . 1 116 116 VAL N N 15 122.640 0.050 . 1 . . . . . 116 VAL N . 51342 1 1491 . 1 . 1 117 117 PRO HA H 1 4.990 0.005 . 1 . . . . . 117 PRO HA . 51342 1 1492 . 1 . 1 117 117 PRO HB2 H 1 2.190 0.005 . 2 . . . . . 117 PRO HB1 . 51342 1 1493 . 1 . 1 117 117 PRO HB3 H 1 2.490 0.005 . 2 . . . . . 117 PRO HB2 . 51342 1 1494 . 1 . 1 117 117 PRO HG2 H 1 2.050 0.005 . 2 . . . . . 117 PRO HG1 . 51342 1 1495 . 1 . 1 117 117 PRO HG3 H 1 2.230 0.005 . 2 . . . . . 117 PRO HG2 . 51342 1 1496 . 1 . 1 117 117 PRO HD2 H 1 3.870 0.005 . 2 . . . . . 117 PRO HD1 . 51342 1 1497 . 1 . 1 117 117 PRO HD3 H 1 4.180 0.005 . 2 . . . . . 117 PRO HD2 . 51342 1 1498 . 1 . 1 117 117 PRO C C 13 177.260 0.050 . 1 . . . . . 117 PRO C . 51342 1 1499 . 1 . 1 117 117 PRO CA C 13 62.590 0.050 . 1 . . . . . 117 PRO CA . 51342 1 1500 . 1 . 1 117 117 PRO CB C 13 32.570 0.050 . 1 . . . . . 117 PRO CB . 51342 1 1501 . 1 . 1 117 117 PRO CG C 13 27.550 0.050 . 1 . . . . . 117 PRO CG . 51342 1 1502 . 1 . 1 117 117 PRO CD C 13 51.190 0.050 . 1 . . . . . 117 PRO CD . 51342 1 1503 . 1 . 1 118 118 SER H H 1 8.960 0.005 . 1 . . . . . 118 SER HN . 51342 1 1504 . 1 . 1 118 118 SER HA H 1 3.700 0.005 . 1 . . . . . 118 SER HA . 51342 1 1505 . 1 . 1 118 118 SER HB2 H 1 2.670 0.005 . 2 . . . . . 118 SER HB1 . 51342 1 1506 . 1 . 1 118 118 SER HB3 H 1 3.350 0.005 . 2 . . . . . 118 SER HB2 . 51342 1 1507 . 1 . 1 118 118 SER C C 13 173.980 0.050 . 1 . . . . . 118 SER C . 51342 1 1508 . 1 . 1 118 118 SER CA C 13 57.960 0.050 . 1 . . . . . 118 SER CA . 51342 1 1509 . 1 . 1 118 118 SER CB C 13 63.580 0.050 . 1 . . . . . 118 SER CB . 51342 1 1510 . 1 . 1 118 118 SER N N 15 117.690 0.050 . 1 . . . . . 118 SER N . 51342 1 1511 . 1 . 1 119 119 GLN H H 1 7.820 0.005 . 1 . . . . . 119 GLN HN . 51342 1 1512 . 1 . 1 119 119 GLN HA H 1 4.230 0.005 . 1 . . . . . 119 GLN HA . 51342 1 1513 . 1 . 1 119 119 GLN HB2 H 1 1.950 0.005 . 2 . . . . . 119 GLN HB1 . 51342 1 1514 . 1 . 1 119 119 GLN HB3 H 1 2.160 0.005 . 2 . . . . . 119 GLN HB2 . 51342 1 1515 . 1 . 1 119 119 GLN HG2 H 1 2.270 0.005 . 2 . . . . . 119 GLN HG1 . 51342 1 1516 . 1 . 1 119 119 GLN HG3 H 1 2.280 0.005 . 2 . . . . . 119 GLN HG2 . 51342 1 1517 . 1 . 1 119 119 GLN HE21 H 1 6.810 0.005 . 2 . . . . . 119 GLN HE21 . 51342 1 1518 . 1 . 1 119 119 GLN HE22 H 1 7.490 0.005 . 2 . . . . . 119 GLN HE22 . 51342 1 1519 . 1 . 1 119 119 GLN C C 13 175.730 0.050 . 1 . . . . . 119 GLN C . 51342 1 1520 . 1 . 1 119 119 GLN CA C 13 57.110 0.050 . 1 . . . . . 119 GLN CA . 51342 1 1521 . 1 . 1 119 119 GLN CB C 13 30.540 0.050 . 1 . . . . . 119 GLN CB . 51342 1 1522 . 1 . 1 119 119 GLN CG C 13 33.950 0.050 . 1 . . . . . 119 GLN CG . 51342 1 1523 . 1 . 1 119 119 GLN N N 15 126.140 0.050 . 1 . . . . . 119 GLN N . 51342 1 1524 . 1 . 1 119 119 GLN NE2 N 15 112.070 0.050 . 1 . . . . . 119 GLN NE2 . 51342 1 stop_ save_