data_50074 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50074 _Entry.Title ; 1H, 13C, and 15N backbone assignments of the pheromone binding protein 2 from the Ostrinia furnacalis (OfurPBP2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-11 _Entry.Accession_date 2019-10-11 _Entry.Last_release_date 2019-10-14 _Entry.Original_release_date 2019-10-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Salik Dahal . . . . 50074 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50074 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 527 50074 '15N chemical shifts' 137 50074 '1H chemical shifts' 815 50074 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 . . 2020-04-30 2019-03-01 update BMRB 'update entry citation' 50074 1 . . 2020-01-22 2019-03-01 original author 'original release' 50074 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50074 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31975054 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N resonance assignment and secondary structure of the pheromone-binding protein2 from the agricultural pest Ostrinia furnacalis (OfurPBP2) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 115 _Citation.Page_last 118 _Citation.Year 2020 _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 Salik Dahal S. R. . . 50074 1 2 Jacob Lewellen J. L. . . 50074 1 3 Bharat Chaudhary B. P. . . 50074 1 4 Smita Mohanty S. . . . 50074 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50074 _Assembly.ID 1 _Assembly.Name 'pheromone binding protein 2 [Ostrinia furnacalis]' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'pheromone binding protein 2 [Ostrinia furnacalis]' 1 $entity_1 . . yes native no no . . . 50074 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50074 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OfurPBP2 _Entity.Type polymer _Entity.Polymer_common_type polypeptide(L) _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 144 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SQAVMKDMTKNFIKAYEVCA KEYNLPEAAGAEVMNFWKEG YVLTSREAGCAILCLSSKLN LLDPEGTLHRGNTVEFAKQH GSDDAMAHQLVDIVHACEKS VPPNEDNCLMALGISMCFKT EIHKLNWAPDHELLLEEMMA EMKQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 50074 1 2 . GLN . 50074 1 3 . ALA . 50074 1 4 . VAL . 50074 1 5 . MET . 50074 1 6 . LYS . 50074 1 7 . ASP . 50074 1 8 . MET . 50074 1 9 . THR . 50074 1 10 . LYS . 50074 1 11 . ASN . 50074 1 12 . PHE . 50074 1 13 . ILE . 50074 1 14 . LYS . 50074 1 15 . ALA . 50074 1 16 . TYR . 50074 1 17 . GLU . 50074 1 18 . VAL . 50074 1 19 . CYS . 50074 1 20 . ALA . 50074 1 21 . LYS . 50074 1 22 . GLU . 50074 1 23 . TYR . 50074 1 24 . ASN . 50074 1 25 . LEU . 50074 1 26 . PRO . 50074 1 27 . GLU . 50074 1 28 . ALA . 50074 1 29 . ALA . 50074 1 30 . GLY . 50074 1 31 . ALA . 50074 1 32 . GLU . 50074 1 33 . VAL . 50074 1 34 . MET . 50074 1 35 . ASN . 50074 1 36 . PHE . 50074 1 37 . TRP . 50074 1 38 . LYS . 50074 1 39 . GLU . 50074 1 40 . GLY . 50074 1 41 . TYR . 50074 1 42 . VAL . 50074 1 43 . LEU . 50074 1 44 . THR . 50074 1 45 . SER . 50074 1 46 . ARG . 50074 1 47 . GLU . 50074 1 48 . ALA . 50074 1 49 . GLY . 50074 1 50 . CYS . 50074 1 51 . ALA . 50074 1 52 . ILE . 50074 1 53 . LEU . 50074 1 54 . CYS . 50074 1 55 . LEU . 50074 1 56 . SER . 50074 1 57 . SER . 50074 1 58 . LYS . 50074 1 59 . LEU . 50074 1 60 . ASN . 50074 1 61 . LEU . 50074 1 62 . LEU . 50074 1 63 . ASP . 50074 1 64 . PRO . 50074 1 65 . GLU . 50074 1 66 . GLY . 50074 1 67 . THR . 50074 1 68 . LEU . 50074 1 69 . HIS . 50074 1 70 . ARG . 50074 1 71 . GLY . 50074 1 72 . ASN . 50074 1 73 . THR . 50074 1 74 . VAL . 50074 1 75 . GLU . 50074 1 76 . PHE . 50074 1 77 . ALA . 50074 1 78 . LYS . 50074 1 79 . GLN . 50074 1 80 . HIS . 50074 1 81 . GLY . 50074 1 82 . SER . 50074 1 83 . ASP . 50074 1 84 . ASP . 50074 1 85 . ALA . 50074 1 86 . MET . 50074 1 87 . ALA . 50074 1 88 . HIS . 50074 1 89 . GLN . 50074 1 90 . LEU . 50074 1 91 . VAL . 50074 1 92 . ASP . 50074 1 93 . ILE . 50074 1 94 . VAL . 50074 1 95 . HIS . 50074 1 96 . ALA . 50074 1 97 . CYS . 50074 1 98 . GLU . 50074 1 99 . LYS . 50074 1 100 . SER . 50074 1 101 . VAL . 50074 1 102 . PRO . 50074 1 103 . PRO . 50074 1 104 . ASN . 50074 1 105 . GLU . 50074 1 106 . ASP . 50074 1 107 . ASN . 50074 1 108 . CYS . 50074 1 109 . LEU . 50074 1 110 . MET . 50074 1 111 . ALA . 50074 1 112 . LEU . 50074 1 113 . GLY . 50074 1 114 . ILE . 50074 1 115 . SER . 50074 1 116 . MET . 50074 1 117 . CYS . 50074 1 118 . PHE . 50074 1 119 . LYS . 50074 1 120 . THR . 50074 1 121 . GLU . 50074 1 122 . ILE . 50074 1 123 . HIS . 50074 1 124 . LYS . 50074 1 125 . LEU . 50074 1 126 . ASN . 50074 1 127 . TRP . 50074 1 128 . ALA . 50074 1 129 . PRO . 50074 1 130 . ASP . 50074 1 131 . HIS . 50074 1 132 . GLU . 50074 1 133 . LEU . 50074 1 134 . LEU . 50074 1 135 . LEU . 50074 1 136 . GLU . 50074 1 137 . GLU . 50074 1 138 . MET . 50074 1 139 . MET . 50074 1 140 . ALA . 50074 1 141 . GLU . 50074 1 142 . MET . 50074 1 143 . LYS . 50074 1 144 . GLN . 50074 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 50074 1 . GLN 2 2 50074 1 . ALA 3 3 50074 1 . VAL 4 4 50074 1 . MET 5 5 50074 1 . LYS 6 6 50074 1 . ASP 7 7 50074 1 . MET 8 8 50074 1 . THR 9 9 50074 1 . LYS 10 10 50074 1 . ASN 11 11 50074 1 . PHE 12 12 50074 1 . ILE 13 13 50074 1 . LYS 14 14 50074 1 . ALA 15 15 50074 1 . TYR 16 16 50074 1 . GLU 17 17 50074 1 . VAL 18 18 50074 1 . CYS 19 19 50074 1 . ALA 20 20 50074 1 . LYS 21 21 50074 1 . GLU 22 22 50074 1 . TYR 23 23 50074 1 . ASN 24 24 50074 1 . LEU 25 25 50074 1 . PRO 26 26 50074 1 . GLU 27 27 50074 1 . ALA 28 28 50074 1 . ALA 29 29 50074 1 . GLY 30 30 50074 1 . ALA 31 31 50074 1 . GLU 32 32 50074 1 . VAL 33 33 50074 1 . MET 34 34 50074 1 . ASN 35 35 50074 1 . PHE 36 36 50074 1 . TRP 37 37 50074 1 . LYS 38 38 50074 1 . GLU 39 39 50074 1 . GLY 40 40 50074 1 . TYR 41 41 50074 1 . VAL 42 42 50074 1 . LEU 43 43 50074 1 . THR 44 44 50074 1 . SER 45 45 50074 1 . ARG 46 46 50074 1 . GLU 47 47 50074 1 . ALA 48 48 50074 1 . GLY 49 49 50074 1 . CYS 50 50 50074 1 . ALA 51 51 50074 1 . ILE 52 52 50074 1 . LEU 53 53 50074 1 . CYS 54 54 50074 1 . LEU 55 55 50074 1 . SER 56 56 50074 1 . SER 57 57 50074 1 . LYS 58 58 50074 1 . LEU 59 59 50074 1 . ASN 60 60 50074 1 . LEU 61 61 50074 1 . LEU 62 62 50074 1 . ASP 63 63 50074 1 . PRO 64 64 50074 1 . GLU 65 65 50074 1 . GLY 66 66 50074 1 . THR 67 67 50074 1 . LEU 68 68 50074 1 . HIS 69 69 50074 1 . ARG 70 70 50074 1 . GLY 71 71 50074 1 . ASN 72 72 50074 1 . THR 73 73 50074 1 . VAL 74 74 50074 1 . GLU 75 75 50074 1 . PHE 76 76 50074 1 . ALA 77 77 50074 1 . LYS 78 78 50074 1 . GLN 79 79 50074 1 . HIS 80 80 50074 1 . GLY 81 81 50074 1 . SER 82 82 50074 1 . ASP 83 83 50074 1 . ASP 84 84 50074 1 . ALA 85 85 50074 1 . MET 86 86 50074 1 . ALA 87 87 50074 1 . HIS 88 88 50074 1 . GLN 89 89 50074 1 . LEU 90 90 50074 1 . VAL 91 91 50074 1 . ASP 92 92 50074 1 . ILE 93 93 50074 1 . VAL 94 94 50074 1 . HIS 95 95 50074 1 . ALA 96 96 50074 1 . CYS 97 97 50074 1 . GLU 98 98 50074 1 . LYS 99 99 50074 1 . SER 100 100 50074 1 . VAL 101 101 50074 1 . PRO 102 102 50074 1 . PRO 103 103 50074 1 . ASN 104 104 50074 1 . GLU 105 105 50074 1 . ASP 106 106 50074 1 . ASN 107 107 50074 1 . CYS 108 108 50074 1 . LEU 109 109 50074 1 . MET 110 110 50074 1 . ALA 111 111 50074 1 . LEU 112 112 50074 1 . GLY 113 113 50074 1 . ILE 114 114 50074 1 . SER 115 115 50074 1 . MET 116 116 50074 1 . CYS 117 117 50074 1 . PHE 118 118 50074 1 . LYS 119 119 50074 1 . THR 120 120 50074 1 . GLU 121 121 50074 1 . ILE 122 122 50074 1 . HIS 123 123 50074 1 . LYS 124 124 50074 1 . LEU 125 125 50074 1 . ASN 126 126 50074 1 . TRP 127 127 50074 1 . ALA 128 128 50074 1 . PRO 129 129 50074 1 . ASP 130 130 50074 1 . HIS 131 131 50074 1 . GLU 132 132 50074 1 . LEU 133 133 50074 1 . LEU 134 134 50074 1 . LEU 135 135 50074 1 . GLU 136 136 50074 1 . GLU 137 137 50074 1 . MET 138 138 50074 1 . MET 139 139 50074 1 . ALA 140 140 50074 1 . GLU 141 141 50074 1 . MET 142 142 50074 1 . LYS 143 143 50074 1 . GLN 144 144 50074 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 50074 _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 . 93504 organism . 'Ostrinia furnacalis' 'Asian corn borer' . . Eukaryota Metazoa Ostrinia furnacalis . . . . . . . . . . . . . 50074 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 50074 _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' . . . . . . . . plasmid . . pET21a . . . 50074 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50074 _Sample.ID 1 _Sample.Name . _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 Protein '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM 0 . . . 50074 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 50074 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 50074 1 pressure 1 . atm 50074 1 temperature 308 . K 50074 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50074 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 50074 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50074 1 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 50074 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 50074 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50074 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50074 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50074 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50074 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50074 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50074 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 50074 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 0 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50074 1 H 1 water nitrogen . . . . ppm 0 na indirect 1 . . . . . 50074 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 50074 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50074 1 2 '3D HNCACB' . . . 50074 1 3 '3D HNCA' . . . 50074 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 GLN HA H 1 3.78 0 . 1 . . . . . 2 GLN HA . 50074 1 2 . 1 . 1 2 2 GLN HB2 H 1 2.193 0 . 1 . . . . . 2 GLN HB2 . 50074 1 3 . 1 . 1 2 2 GLN HB3 H 1 2.193 0 . 1 . . . . . 2 GLN HB3 . 50074 1 4 . 1 . 1 2 2 GLN C C 13 178.213 0.013 . 1 . . . . . 2 GLN C . 50074 1 5 . 1 . 1 2 2 GLN CA C 13 58.109 0.084 . 1 . . . . . 2 GLN CA . 50074 1 6 . 1 . 1 2 2 GLN CB C 13 28.641 0.109 . 1 . . . . . 2 GLN CB . 50074 1 7 . 1 . 1 2 2 GLN CG C 13 33.819 0.044 . 1 . . . . . 2 GLN CG . 50074 1 8 . 1 . 1 3 3 ALA H H 1 7.921 0.194 . 1 . . . . . 3 ALA H . 50074 1 9 . 1 . 1 3 3 ALA HA H 1 3.851 0.003 . 1 . . . . . 3 ALA HA . 50074 1 10 . 1 . 1 3 3 ALA HB1 H 1 1.262 0.007 . 1 . . . . . 3 ALA HB1 . 50074 1 11 . 1 . 1 3 3 ALA HB2 H 1 1.262 0.007 . 1 . . . . . 3 ALA HB2 . 50074 1 12 . 1 . 1 3 3 ALA HB3 H 1 1.262 0.007 . 1 . . . . . 3 ALA HB3 . 50074 1 13 . 1 . 1 3 3 ALA C C 13 179.845 0.089 . 1 . . . . . 3 ALA C . 50074 1 14 . 1 . 1 3 3 ALA CA C 13 55.329 0.049 . 1 . . . . . 3 ALA CA . 50074 1 15 . 1 . 1 3 3 ALA CB C 13 18.014 0.359 . 1 . . . . . 3 ALA CB . 50074 1 16 . 1 . 1 3 3 ALA N N 15 122.319 0.045 . 1 . . . . . 3 ALA N . 50074 1 17 . 1 . 1 4 4 VAL H H 1 7.16 0.01 . 1 . . . . . 4 VAL H . 50074 1 18 . 1 . 1 4 4 VAL HA H 1 3.709 0.003 . 1 . . . . . 4 VAL HA . 50074 1 19 . 1 . 1 4 4 VAL HB H 1 1.571 0.003 . 1 . . . . . 4 VAL HB . 50074 1 20 . 1 . 1 4 4 VAL HG11 H 1 0.755 0.006 . 1 . . . . . 4 VAL HG11 . 50074 1 21 . 1 . 1 4 4 VAL HG12 H 1 0.755 0.006 . 1 . . . . . 4 VAL HG12 . 50074 1 22 . 1 . 1 4 4 VAL HG13 H 1 0.755 0.006 . 1 . . . . . 4 VAL HG13 . 50074 1 23 . 1 . 1 4 4 VAL HG21 H 1 0.679 0.007 . 1 . . . . . 4 VAL HG21 . 50074 1 24 . 1 . 1 4 4 VAL HG22 H 1 0.679 0.007 . 1 . . . . . 4 VAL HG22 . 50074 1 25 . 1 . 1 4 4 VAL HG23 H 1 0.679 0.007 . 1 . . . . . 4 VAL HG23 . 50074 1 26 . 1 . 1 4 4 VAL C C 13 177.401 0 . 1 . . . . . 4 VAL C . 50074 1 27 . 1 . 1 4 4 VAL CA C 13 65.418 0.192 . 1 . . . . . 4 VAL CA . 50074 1 28 . 1 . 1 4 4 VAL CB C 13 32.031 0.077 . 1 . . . . . 4 VAL CB . 50074 1 29 . 1 . 1 4 4 VAL CG1 C 13 21.195 0.23 . 1 . . . . . 4 VAL CG1 . 50074 1 30 . 1 . 1 4 4 VAL CG2 C 13 20.818 0 . 1 . . . . . 4 VAL CG2 . 50074 1 31 . 1 . 1 4 4 VAL N N 15 118.922 0.055 . 1 . . . . . 4 VAL N . 50074 1 32 . 1 . 1 5 5 MET H H 1 7.714 0.006 . 1 . . . . . 5 MET H . 50074 1 33 . 1 . 1 5 5 MET HA H 1 4.374 0.011 . 1 . . . . . 5 MET HA . 50074 1 34 . 1 . 1 5 5 MET HB2 H 1 2.046 0.003 . 1 . . . . . 5 MET HB2 . 50074 1 35 . 1 . 1 5 5 MET HB3 H 1 1.79 0.168 . 1 . . . . . 5 MET HB3 . 50074 1 36 . 1 . 1 5 5 MET HG2 H 1 2.391 0 . 1 . . . . . 5 MET HG2 . 50074 1 37 . 1 . 1 5 5 MET HG3 H 1 2.213 0.002 . 1 . . . . . 5 MET HG3 . 50074 1 38 . 1 . 1 5 5 MET C C 13 180.745 0.001 . 1 . . . . . 5 MET C . 50074 1 39 . 1 . 1 5 5 MET CA C 13 56.371 0.244 . 1 . . . . . 5 MET CA . 50074 1 40 . 1 . 1 5 5 MET CB C 13 29.92 0.052 . 1 . . . . . 5 MET CB . 50074 1 41 . 1 . 1 5 5 MET CG C 13 31.733 0 . 1 . . . . . 5 MET CG . 50074 1 42 . 1 . 1 5 5 MET N N 15 117.037 0.067 . 1 . . . . . 5 MET N . 50074 1 43 . 1 . 1 6 6 LYS H H 1 8.612 0.012 . 1 . . . . . 6 LYS H . 50074 1 44 . 1 . 1 6 6 LYS HA H 1 4.622 0 . 1 . . . . . 6 LYS HA . 50074 1 45 . 1 . 1 6 6 LYS C C 13 179.723 0 . 1 . . . . . 6 LYS C . 50074 1 46 . 1 . 1 6 6 LYS CA C 13 60.73 0.069 . 1 . . . . . 6 LYS CA . 50074 1 47 . 1 . 1 6 6 LYS CB C 13 30.961 0.026 . 1 . . . . . 6 LYS CB . 50074 1 48 . 1 . 1 6 6 LYS CG C 13 24.094 0 . 1 . . . . . 6 LYS CG . 50074 1 49 . 1 . 1 6 6 LYS CD C 13 28.428 0 . 1 . . . . . 6 LYS CD . 50074 1 50 . 1 . 1 6 6 LYS CE C 13 40.95 0 . 1 . . . . . 6 LYS CE . 50074 1 51 . 1 . 1 6 6 LYS N N 15 124.724 0.049 . 1 . . . . . 6 LYS N . 50074 1 52 . 1 . 1 7 7 ASP H H 1 7.751 0.01 . 1 . . . . . 7 ASP H . 50074 1 53 . 1 . 1 7 7 ASP HA H 1 4.39 0.006 . 1 . . . . . 7 ASP HA . 50074 1 54 . 1 . 1 7 7 ASP HB2 H 1 2.749 0.008 . 1 . . . . . 7 ASP HB2 . 50074 1 55 . 1 . 1 7 7 ASP HB3 H 1 2.699 0.002 . 1 . . . . . 7 ASP HB3 . 50074 1 56 . 1 . 1 7 7 ASP C C 13 180.001 0.011 . 1 . . . . . 7 ASP C . 50074 1 57 . 1 . 1 7 7 ASP CA C 13 58.085 0.122 . 1 . . . . . 7 ASP CA . 50074 1 58 . 1 . 1 7 7 ASP CB C 13 40.008 0.113 . 1 . . . . . 7 ASP CB . 50074 1 59 . 1 . 1 7 7 ASP N N 15 121.444 0.075 . 1 . . . . . 7 ASP N . 50074 1 60 . 1 . 1 8 8 MET H H 1 8.875 0.134 . 1 . . . . . 8 MET H . 50074 1 61 . 1 . 1 8 8 MET HA H 1 3.193 0.004 . 1 . . . . . 8 MET HA . 50074 1 62 . 1 . 1 8 8 MET HB2 H 1 2.024 0.084 . 1 . . . . . 8 MET HB2 . 50074 1 63 . 1 . 1 8 8 MET HB3 H 1 1.726 0.192 . 1 . . . . . 8 MET HB3 . 50074 1 64 . 1 . 1 8 8 MET HG2 H 1 2.565 0.001 . 1 . . . . . 8 MET HG2 . 50074 1 65 . 1 . 1 8 8 MET HG3 H 1 2.075 0.001 . 1 . . . . . 8 MET HG3 . 50074 1 66 . 1 . 1 8 8 MET C C 13 178.145 0.039 . 1 . . . . . 8 MET C . 50074 1 67 . 1 . 1 8 8 MET CA C 13 60.314 0.148 . 1 . . . . . 8 MET CA . 50074 1 68 . 1 . 1 8 8 MET CB C 13 34.299 0.094 . 1 . . . . . 8 MET CB . 50074 1 69 . 1 . 1 8 8 MET CG C 13 32.311 0 . 1 . . . . . 8 MET CG . 50074 1 70 . 1 . 1 8 8 MET N N 15 119.403 0.066 . 1 . . . . . 8 MET N . 50074 1 71 . 1 . 1 9 9 THR H H 1 8.001 0.008 . 1 . . . . . 9 THR H . 50074 1 72 . 1 . 1 9 9 THR HA H 1 4.565 0.002 . 1 . . . . . 9 THR HA . 50074 1 73 . 1 . 1 9 9 THR HB H 1 3.845 0.007 . 1 . . . . . 9 THR HB . 50074 1 74 . 1 . 1 9 9 THR HG1 H 1 5.265 0 . 1 . . . . . 9 THR HG1 . 50074 1 75 . 1 . 1 9 9 THR HG21 H 1 1.436 0.004 . 1 . . . . . 9 THR HG21 . 50074 1 76 . 1 . 1 9 9 THR HG22 H 1 1.436 0.004 . 1 . . . . . 9 THR HG22 . 50074 1 77 . 1 . 1 9 9 THR HG23 H 1 1.436 0.004 . 1 . . . . . 9 THR HG23 . 50074 1 78 . 1 . 1 9 9 THR C C 13 174.953 0 . 1 . . . . . 9 THR C . 50074 1 79 . 1 . 1 9 9 THR CA C 13 68.471 0.088 . 1 . . . . . 9 THR CA . 50074 1 80 . 1 . 1 9 9 THR CB C 13 68.35 0.083 . 1 . . . . . 9 THR CB . 50074 1 81 . 1 . 1 9 9 THR CG2 C 13 21.133 0 . 1 . . . . . 9 THR CG2 . 50074 1 82 . 1 . 1 9 9 THR N N 15 115.82 0.051 . 1 . . . . . 9 THR N . 50074 1 83 . 1 . 1 10 10 LYS H H 1 8.12 0.01 . 1 . . . . . 10 LYS H . 50074 1 84 . 1 . 1 10 10 LYS HA H 1 3.84 0.016 . 1 . . . . . 10 LYS HA . 50074 1 85 . 1 . 1 10 10 LYS HB2 H 1 2.136 0.007 . 1 . . . . . 10 LYS HB2 . 50074 1 86 . 1 . 1 10 10 LYS HB3 H 1 2.136 0.007 . 1 . . . . . 10 LYS HB3 . 50074 1 87 . 1 . 1 10 10 LYS HG2 H 1 1.921 0.004 . 1 . . . . . 10 LYS HG2 . 50074 1 88 . 1 . 1 10 10 LYS HG3 H 1 1.921 0.004 . 1 . . . . . 10 LYS HG3 . 50074 1 89 . 1 . 1 10 10 LYS HE2 H 1 2.518 0.001 . 1 . . . . . 10 LYS HE2 . 50074 1 90 . 1 . 1 10 10 LYS HE3 H 1 2.518 0.001 . 1 . . . . . 10 LYS HE3 . 50074 1 91 . 1 . 1 10 10 LYS C C 13 175.879 0.308 . 1 . . . . . 10 LYS C . 50074 1 92 . 1 . 1 10 10 LYS CA C 13 60.471 0.06 . 1 . . . . . 10 LYS CA . 50074 1 93 . 1 . 1 10 10 LYS CB C 13 31.642 0.959 . 1 . . . . . 10 LYS CB . 50074 1 94 . 1 . 1 10 10 LYS CG C 13 25.835 0 . 1 . . . . . 10 LYS CG . 50074 1 95 . 1 . 1 10 10 LYS CD C 13 29.649 0 . 1 . . . . . 10 LYS CD . 50074 1 96 . 1 . 1 10 10 LYS CE C 13 41.621 0 . 1 . . . . . 10 LYS CE . 50074 1 97 . 1 . 1 10 10 LYS N N 15 119.127 0.125 . 1 . . . . . 10 LYS N . 50074 1 98 . 1 . 1 11 11 ASN H H 1 7.244 0.016 . 1 . . . . . 11 ASN H . 50074 1 99 . 1 . 1 11 11 ASN HA H 1 4.571 0.004 . 1 . . . . . 11 ASN HA . 50074 1 100 . 1 . 1 11 11 ASN HB2 H 1 2.533 0.418 . 1 . . . . . 11 ASN HB2 . 50074 1 101 . 1 . 1 11 11 ASN HB3 H 1 2.395 0.523 . 1 . . . . . 11 ASN HB3 . 50074 1 102 . 1 . 1 11 11 ASN C C 13 176.394 0.344 . 1 . . . . . 11 ASN C . 50074 1 103 . 1 . 1 11 11 ASN CA C 13 56.14 0.038 . 1 . . . . . 11 ASN CA . 50074 1 104 . 1 . 1 11 11 ASN CB C 13 39.803 0.035 . 1 . . . . . 11 ASN CB . 50074 1 105 . 1 . 1 11 11 ASN N N 15 114.423 0.131 . 1 . . . . . 11 ASN N . 50074 1 106 . 1 . 1 12 12 PHE H H 1 8.752 0.008 . 1 . . . . . 12 PHE H . 50074 1 107 . 1 . 1 12 12 PHE HA H 1 4.16 0.007 . 1 . . . . . 12 PHE HA . 50074 1 108 . 1 . 1 12 12 PHE HB2 H 1 3.41 0 . 1 . . . . . 12 PHE HB2 . 50074 1 109 . 1 . 1 12 12 PHE HB3 H 1 3.197 0 . 1 . . . . . 12 PHE HB3 . 50074 1 110 . 1 . 1 12 12 PHE CA C 13 59.986 1.453 . 1 . . . . . 12 PHE CA . 50074 1 111 . 1 . 1 12 12 PHE CB C 13 40.921 0.043 . 1 . . . . . 12 PHE CB . 50074 1 112 . 1 . 1 12 12 PHE N N 15 123.307 0.104 . 1 . . . . . 12 PHE N . 50074 1 113 . 1 . 1 13 13 ILE H H 1 7.662 0.013 . 1 . . . . . 13 ILE H . 50074 1 114 . 1 . 1 13 13 ILE HA H 1 4.136 0.005 . 1 . . . . . 13 ILE HA . 50074 1 115 . 1 . 1 13 13 ILE HB H 1 2.027 0.006 . 1 . . . . . 13 ILE HB . 50074 1 116 . 1 . 1 13 13 ILE HG12 H 1 1.559 0.009 . 2 . . . . . 13 ILE HG12 . 50074 1 117 . 1 . 1 13 13 ILE HG13 H 1 1.559 0.009 . 2 . . . . . 13 ILE HG13 . 50074 1 118 . 1 . 1 13 13 ILE HG21 H 1 0.996 0.008 . 1 . . . . . 13 ILE HG21 . 50074 1 119 . 1 . 1 13 13 ILE HG22 H 1 0.996 0.008 . 1 . . . . . 13 ILE HG22 . 50074 1 120 . 1 . 1 13 13 ILE HG23 H 1 0.996 0.008 . 1 . . . . . 13 ILE HG23 . 50074 1 121 . 1 . 1 13 13 ILE HD11 H 1 0.812 0.004 . 1 . . . . . 13 ILE HD11 . 50074 1 122 . 1 . 1 13 13 ILE HD12 H 1 0.812 0.004 . 1 . . . . . 13 ILE HD12 . 50074 1 123 . 1 . 1 13 13 ILE HD13 H 1 0.812 0.004 . 1 . . . . . 13 ILE HD13 . 50074 1 124 . 1 . 1 13 13 ILE CA C 13 61.988 0.022 . 1 . . . . . 13 ILE CA . 50074 1 125 . 1 . 1 13 13 ILE CB C 13 39.067 0.058 . 1 . . . . . 13 ILE CB . 50074 1 126 . 1 . 1 13 13 ILE CG1 C 13 28.008 0 . 1 . . . . . 13 ILE CG1 . 50074 1 127 . 1 . 1 13 13 ILE CG2 C 13 18.115 0 . 1 . . . . . 13 ILE CG2 . 50074 1 128 . 1 . 1 13 13 ILE CD1 C 13 14.144 0.055 . 1 . . . . . 13 ILE CD1 . 50074 1 129 . 1 . 1 13 13 ILE N N 15 109.389 1.7 . 1 . . . . . 13 ILE N . 50074 1 130 . 1 . 1 14 14 LYS H H 1 7.249 0.01 . 1 . . . . . 14 LYS H . 50074 1 131 . 1 . 1 14 14 LYS HA H 1 4.865 0 . 1 . . . . . 14 LYS HA . 50074 1 132 . 1 . 1 14 14 LYS HB2 H 1 1.601 0 . 1 . . . . . 14 LYS HB2 . 50074 1 133 . 1 . 1 14 14 LYS HB3 H 1 1.601 0 . 1 . . . . . 14 LYS HB3 . 50074 1 134 . 1 . 1 14 14 LYS HG2 H 1 1.248 0 . 1 . . . . . 14 LYS HG2 . 50074 1 135 . 1 . 1 14 14 LYS HG3 H 1 1.248 0 . 1 . . . . . 14 LYS HG3 . 50074 1 136 . 1 . 1 14 14 LYS HE2 H 1 2.695 0 . 1 . . . . . 14 LYS HE2 . 50074 1 137 . 1 . 1 14 14 LYS HE3 H 1 2.695 0 . 1 . . . . . 14 LYS HE3 . 50074 1 138 . 1 . 1 14 14 LYS CA C 13 59.861 0.009 . 1 . . . . . 14 LYS CA . 50074 1 139 . 1 . 1 14 14 LYS CB C 13 32.312 0.017 . 1 . . . . . 14 LYS CB . 50074 1 140 . 1 . 1 14 14 LYS CG C 13 25.172 0 . 1 . . . . . 14 LYS CG . 50074 1 141 . 1 . 1 14 14 LYS CD C 13 29.314 0 . 1 . . . . . 14 LYS CD . 50074 1 142 . 1 . 1 14 14 LYS CE C 13 42.125 0 . 1 . . . . . 14 LYS CE . 50074 1 143 . 1 . 1 14 14 LYS N N 15 121.863 0.048 . 1 . . . . . 14 LYS N . 50074 1 144 . 1 . 1 15 15 ALA H H 1 7.105 0.008 . 1 . . . . . 15 ALA H . 50074 1 145 . 1 . 1 15 15 ALA HA H 1 4.578 0.011 . 1 . . . . . 15 ALA HA . 50074 1 146 . 1 . 1 15 15 ALA HB1 H 1 1.273 0.005 . 1 . . . . . 15 ALA HB1 . 50074 1 147 . 1 . 1 15 15 ALA HB2 H 1 1.273 0.005 . 1 . . . . . 15 ALA HB2 . 50074 1 148 . 1 . 1 15 15 ALA HB3 H 1 1.273 0.005 . 1 . . . . . 15 ALA HB3 . 50074 1 149 . 1 . 1 15 15 ALA C C 13 176.736 0.019 . 1 . . . . . 15 ALA C . 50074 1 150 . 1 . 1 15 15 ALA CA C 13 51.889 0.046 . 1 . . . . . 15 ALA CA . 50074 1 151 . 1 . 1 15 15 ALA CB C 13 17.517 0.116 . 1 . . . . . 15 ALA CB . 50074 1 152 . 1 . 1 15 15 ALA N N 15 118.137 0.074 . 1 . . . . . 15 ALA N . 50074 1 153 . 1 . 1 16 16 TYR H H 1 8.153 0.115 . 1 . . . . . 16 TYR H . 50074 1 154 . 1 . 1 16 16 TYR HA H 1 3.392 0.003 . 1 . . . . . 16 TYR HA . 50074 1 155 . 1 . 1 16 16 TYR HB2 H 1 3.133 0.004 . 1 . . . . . 16 TYR HB2 . 50074 1 156 . 1 . 1 16 16 TYR HB3 H 1 2.942 0.004 . 1 . . . . . 16 TYR HB3 . 50074 1 157 . 1 . 1 16 16 TYR C C 13 175.873 0.036 . 1 . . . . . 16 TYR C . 50074 1 158 . 1 . 1 16 16 TYR CA C 13 65.177 0.078 . 1 . . . . . 16 TYR CA . 50074 1 159 . 1 . 1 16 16 TYR CB C 13 38.137 0.123 . 1 . . . . . 16 TYR CB . 50074 1 160 . 1 . 1 16 16 TYR N N 15 121.237 0.083 . 1 . . . . . 16 TYR N . 50074 1 161 . 1 . 1 17 17 GLU H H 1 8.882 0.01 . 1 . . . . . 17 GLU H . 50074 1 162 . 1 . 1 17 17 GLU HA H 1 3.753 0.004 . 1 . . . . . 17 GLU HA . 50074 1 163 . 1 . 1 17 17 GLU HB2 H 1 2.07 0.018 . 1 . . . . . 17 GLU HB2 . 50074 1 164 . 1 . 1 17 17 GLU HB3 H 1 1.993 0.001 . 1 . . . . . 17 GLU HB3 . 50074 1 165 . 1 . 1 17 17 GLU HG2 H 1 2.322 0.008 . 1 . . . . . 17 GLU HG2 . 50074 1 166 . 1 . 1 17 17 GLU HG3 H 1 2.251 0.01 . 1 . . . . . 17 GLU HG3 . 50074 1 167 . 1 . 1 17 17 GLU C C 13 179.079 0.009 . 1 . . . . . 17 GLU C . 50074 1 168 . 1 . 1 17 17 GLU CA C 13 59.893 0.095 . 1 . . . . . 17 GLU CA . 50074 1 169 . 1 . 1 17 17 GLU CB C 13 28.888 0.043 . 1 . . . . . 17 GLU CB . 50074 1 170 . 1 . 1 17 17 GLU CG C 13 36.359 0.034 . 1 . . . . . 17 GLU CG . 50074 1 171 . 1 . 1 17 17 GLU N N 15 117.085 0.071 . 1 . . . . . 17 GLU N . 50074 1 172 . 1 . 1 18 18 VAL H H 1 7.28 0.01 . 1 . . . . . 18 VAL H . 50074 1 173 . 1 . 1 18 18 VAL HA H 1 3.677 0.006 . 1 . . . . . 18 VAL HA . 50074 1 174 . 1 . 1 18 18 VAL HB H 1 2.039 0.003 . 1 . . . . . 18 VAL HB . 50074 1 175 . 1 . 1 18 18 VAL HG11 H 1 0.953 0.006 . 2 . . . . . 18 VAL HG11 . 50074 1 176 . 1 . 1 18 18 VAL HG12 H 1 0.953 0.006 . 2 . . . . . 18 VAL HG12 . 50074 1 177 . 1 . 1 18 18 VAL HG13 H 1 0.953 0.006 . 2 . . . . . 18 VAL HG13 . 50074 1 178 . 1 . 1 18 18 VAL HG21 H 1 0.873 0.002 . 2 . . . . . 18 VAL HG21 . 50074 1 179 . 1 . 1 18 18 VAL HG22 H 1 0.873 0.002 . 2 . . . . . 18 VAL HG22 . 50074 1 180 . 1 . 1 18 18 VAL HG23 H 1 0.873 0.002 . 2 . . . . . 18 VAL HG23 . 50074 1 181 . 1 . 1 18 18 VAL C C 13 179.622 0 . 1 . . . . . 18 VAL C . 50074 1 182 . 1 . 1 18 18 VAL CA C 13 65.994 0.105 . 1 . . . . . 18 VAL CA . 50074 1 183 . 1 . 1 18 18 VAL CB C 13 31.677 0.128 . 1 . . . . . 18 VAL CB . 50074 1 184 . 1 . 1 18 18 VAL CG1 C 13 21.415 0.189 . 1 . . . . . 18 VAL CG1 . 50074 1 185 . 1 . 1 18 18 VAL CG2 C 13 21.055 0 . 1 . . . . . 18 VAL CG2 . 50074 1 186 . 1 . 1 18 18 VAL N N 15 118.55 0.053 . 1 . . . . . 18 VAL N . 50074 1 187 . 1 . 1 19 19 CYS H H 1 7.513 0.012 . 1 . . . . . 19 CYS H . 50074 1 188 . 1 . 1 19 19 CYS HA H 1 4.222 0.003 . 1 . . . . . 19 CYS HA . 50074 1 189 . 1 . 1 19 19 CYS HB2 H 1 2.859 0.006 . 1 . . . . . 19 CYS HB2 . 50074 1 190 . 1 . 1 19 19 CYS HB3 H 1 2.315 0.003 . 1 . . . . . 19 CYS HB3 . 50074 1 191 . 1 . 1 19 19 CYS C C 13 175.973 0.008 . 1 . . . . . 19 CYS C . 50074 1 192 . 1 . 1 19 19 CYS CA C 13 59.835 0.071 . 1 . . . . . 19 CYS CA . 50074 1 193 . 1 . 1 19 19 CYS CB C 13 41.433 0.078 . 1 . . . . . 19 CYS CB . 50074 1 194 . 1 . 1 19 19 CYS N N 15 119.218 0.068 . 1 . . . . . 19 CYS N . 50074 1 195 . 1 . 1 20 20 ALA H H 1 8.984 0.017 . 1 . . . . . 20 ALA H . 50074 1 196 . 1 . 1 20 20 ALA HA H 1 3.571 0.002 . 1 . . . . . 20 ALA HA . 50074 1 197 . 1 . 1 20 20 ALA HB1 H 1 1.126 0.001 . 1 . . . . . 20 ALA HB1 . 50074 1 198 . 1 . 1 20 20 ALA HB2 H 1 1.126 0.001 . 1 . . . . . 20 ALA HB2 . 50074 1 199 . 1 . 1 20 20 ALA HB3 H 1 1.126 0.001 . 1 . . . . . 20 ALA HB3 . 50074 1 200 . 1 . 1 20 20 ALA C C 13 180.092 0.01 . 1 . . . . . 20 ALA C . 50074 1 201 . 1 . 1 20 20 ALA CA C 13 55.074 0.066 . 1 . . . . . 20 ALA CA . 50074 1 202 . 1 . 1 20 20 ALA CB C 13 17.45 0.02 . 1 . . . . . 20 ALA CB . 50074 1 203 . 1 . 1 20 20 ALA N N 15 122.541 0.066 . 1 . . . . . 20 ALA N . 50074 1 204 . 1 . 1 21 21 LYS H H 1 7.323 0.008 . 1 . . . . . 21 LYS H . 50074 1 205 . 1 . 1 21 21 LYS HA H 1 4.148 0.04 . 1 . . . . . 21 LYS HA . 50074 1 206 . 1 . 1 21 21 LYS HB2 H 1 1.843 0.002 . 1 . . . . . 21 LYS HB2 . 50074 1 207 . 1 . 1 21 21 LYS HG2 H 1 1.495 0 . 1 . . . . . 21 LYS HG2 . 50074 1 208 . 1 . 1 21 21 LYS HG3 H 1 1.44 0 . 1 . . . . . 21 LYS HG3 . 50074 1 209 . 1 . 1 21 21 LYS HD2 H 1 1.626 0.004 . 1 . . . . . 21 LYS HD2 . 50074 1 210 . 1 . 1 21 21 LYS HD3 H 1 1.52 0.007 . 1 . . . . . 21 LYS HD3 . 50074 1 211 . 1 . 1 21 21 LYS C C 13 179.13 0.013 . 1 . . . . . 21 LYS C . 50074 1 212 . 1 . 1 21 21 LYS CA C 13 58.37 0.073 . 1 . . . . . 21 LYS CA . 50074 1 213 . 1 . 1 21 21 LYS CB C 13 32.266 0.166 . 1 . . . . . 21 LYS CB . 50074 1 214 . 1 . 1 21 21 LYS CG C 13 24.618 0 . 1 . . . . . 21 LYS CG . 50074 1 215 . 1 . 1 21 21 LYS CD C 13 28.92 0 . 1 . . . . . 21 LYS CD . 50074 1 216 . 1 . 1 21 21 LYS CE C 13 42.152 0 . 1 . . . . . 21 LYS CE . 50074 1 217 . 1 . 1 21 21 LYS N N 15 116.951 0 . 1 . . . . . 21 LYS N . 50074 1 218 . 1 . 1 22 22 GLU H H 1 8.05 0.138 . 1 . . . . . 22 GLU H . 50074 1 219 . 1 . 1 22 22 GLU HA H 1 3.785 0.002 . 1 . . . . . 22 GLU HA . 50074 1 220 . 1 . 1 22 22 GLU HB2 H 1 1.814 0.004 . 1 . . . . . 22 GLU HB2 . 50074 1 221 . 1 . 1 22 22 GLU HB3 H 1 1.706 0.001 . 1 . . . . . 22 GLU HB3 . 50074 1 222 . 1 . 1 22 22 GLU HG2 H 1 2.235 0.004 . 1 . . . . . 22 GLU HG2 . 50074 1 223 . 1 . 1 22 22 GLU HG3 H 1 2.034 0.002 . 1 . . . . . 22 GLU HG3 . 50074 1 224 . 1 . 1 22 22 GLU C C 13 178.101 0.03 . 1 . . . . . 22 GLU C . 50074 1 225 . 1 . 1 22 22 GLU CA C 13 59.514 0.076 . 1 . . . . . 22 GLU CA . 50074 1 226 . 1 . 1 22 22 GLU CB C 13 30.31 0.029 . 1 . . . . . 22 GLU CB . 50074 1 227 . 1 . 1 22 22 GLU CG C 13 36.257 0.061 . 1 . . . . . 22 GLU CG . 50074 1 228 . 1 . 1 22 22 GLU N N 15 119.633 0.086 . 1 . . . . . 22 GLU N . 50074 1 229 . 1 . 1 23 23 TYR H H 1 8.047 0.01 . 1 . . . . . 23 TYR H . 50074 1 230 . 1 . 1 23 23 TYR HA H 1 4.343 0.003 . 1 . . . . . 23 TYR HA . 50074 1 231 . 1 . 1 23 23 TYR HB2 H 1 3.124 0.003 . 1 . . . . . 23 TYR HB2 . 50074 1 232 . 1 . 1 23 23 TYR HB3 H 1 2.495 0.006 . 1 . . . . . 23 TYR HB3 . 50074 1 233 . 1 . 1 23 23 TYR C C 13 174.433 0.007 . 1 . . . . . 23 TYR C . 50074 1 234 . 1 . 1 23 23 TYR CA C 13 58.241 0.066 . 1 . . . . . 23 TYR CA . 50074 1 235 . 1 . 1 23 23 TYR CB C 13 37.793 0.111 . 1 . . . . . 23 TYR CB . 50074 1 236 . 1 . 1 23 23 TYR N N 15 113.47 0.075 . 1 . . . . . 23 TYR N . 50074 1 237 . 1 . 1 24 24 ASN H H 1 7.445 0.008 . 1 . . . . . 24 ASN H . 50074 1 238 . 1 . 1 24 24 ASN HA H 1 4.368 0.006 . 1 . . . . . 24 ASN HA . 50074 1 239 . 1 . 1 24 24 ASN HB2 H 1 3.009 0.005 . 1 . . . . . 24 ASN HB2 . 50074 1 240 . 1 . 1 24 24 ASN HB3 H 1 2.596 0.006 . 1 . . . . . 24 ASN HB3 . 50074 1 241 . 1 . 1 24 24 ASN C C 13 175.191 0.006 . 1 . . . . . 24 ASN C . 50074 1 242 . 1 . 1 24 24 ASN CA C 13 54.021 0.268 . 1 . . . . . 24 ASN CA . 50074 1 243 . 1 . 1 24 24 ASN CB C 13 36.726 0.174 . 1 . . . . . 24 ASN CB . 50074 1 244 . 1 . 1 24 24 ASN N N 15 119.729 0.07 . 1 . . . . . 24 ASN N . 50074 1 245 . 1 . 1 25 25 LEU H H 1 8.251 0.009 . 1 . . . . . 25 LEU H . 50074 1 246 . 1 . 1 25 25 LEU HA H 1 4.44 0.004 . 1 . . . . . 25 LEU HA . 50074 1 247 . 1 . 1 25 25 LEU HB2 H 1 1.258 0 . 1 . . . . . 25 LEU HB2 . 50074 1 248 . 1 . 1 25 25 LEU HB3 H 1 1.258 0 . 1 . . . . . 25 LEU HB3 . 50074 1 249 . 1 . 1 25 25 LEU HG H 1 1.225 0.002 . 1 . . . . . 25 LEU HG . 50074 1 250 . 1 . 1 25 25 LEU HD11 H 1 0.752 0.004 . 2 . . . . . 25 LEU HD11 . 50074 1 251 . 1 . 1 25 25 LEU HD12 H 1 0.752 0.004 . 2 . . . . . 25 LEU HD12 . 50074 1 252 . 1 . 1 25 25 LEU HD13 H 1 0.752 0.004 . 2 . . . . . 25 LEU HD13 . 50074 1 253 . 1 . 1 25 25 LEU HD21 H 1 0.492 0.001 . 2 . . . . . 25 LEU HD21 . 50074 1 254 . 1 . 1 25 25 LEU HD22 H 1 0.492 0.001 . 2 . . . . . 25 LEU HD22 . 50074 1 255 . 1 . 1 25 25 LEU HD23 H 1 0.492 0.001 . 2 . . . . . 25 LEU HD23 . 50074 1 256 . 1 . 1 25 25 LEU CA C 13 52.84 0.056 . 1 . . . . . 25 LEU CA . 50074 1 257 . 1 . 1 25 25 LEU CB C 13 40.784 0 . 1 . . . . . 25 LEU CB . 50074 1 258 . 1 . 1 25 25 LEU N N 15 117.191 0.07 . 1 . . . . . 25 LEU N . 50074 1 259 . 1 . 1 26 26 PRO HA H 1 4.654 0.004 . 1 . . . . . 26 PRO HA . 50074 1 260 . 1 . 1 26 26 PRO HB2 H 1 2.381 0.002 . 2 . . . . . 26 PRO HB2 . 50074 1 261 . 1 . 1 26 26 PRO HB3 H 1 2.174 0.017 . 2 . . . . . 26 PRO HB3 . 50074 1 262 . 1 . 1 26 26 PRO HG2 H 1 1.945 0 . 2 . . . . . 26 PRO HG2 . 50074 1 263 . 1 . 1 26 26 PRO HD2 H 1 3.82 0.316 . 2 . . . . . 26 PRO HD2 . 50074 1 264 . 1 . 1 26 26 PRO HD3 H 1 3.515 0.295 . 2 . . . . . 26 PRO HD3 . 50074 1 265 . 1 . 1 26 26 PRO C C 13 177.511 0.009 . 1 . . . . . 26 PRO C . 50074 1 266 . 1 . 1 26 26 PRO CA C 13 62.01 0.268 . 1 . . . . . 26 PRO CA . 50074 1 267 . 1 . 1 26 26 PRO CB C 13 31.971 0.048 . 1 . . . . . 26 PRO CB . 50074 1 268 . 1 . 1 26 26 PRO CG C 13 26.799 0.074 . 1 . . . . . 26 PRO CG . 50074 1 269 . 1 . 1 26 26 PRO CD C 13 50.136 0.082 . 1 . . . . . 26 PRO CD . 50074 1 270 . 1 . 1 26 26 PRO N N 15 122.748 0 . 1 . . . . . 26 PRO N . 50074 1 271 . 1 . 1 27 27 GLU H H 1 8.871 0.009 . 1 . . . . . 27 GLU H . 50074 1 272 . 1 . 1 27 27 GLU HA H 1 4.114 0.005 . 1 . . . . . 27 GLU HA . 50074 1 273 . 1 . 1 27 27 GLU HB2 H 1 2 0.004 . 1 . . . . . 27 GLU HB2 . 50074 1 274 . 1 . 1 27 27 GLU HB3 H 1 2 0.004 . 1 . . . . . 27 GLU HB3 . 50074 1 275 . 1 . 1 27 27 GLU HG2 H 1 2.325 0 . 1 . . . . . 27 GLU HG2 . 50074 1 276 . 1 . 1 27 27 GLU HG3 H 1 2.288 0 . 1 . . . . . 27 GLU HG3 . 50074 1 277 . 1 . 1 27 27 GLU C C 13 179.036 0.016 . 1 . . . . . 27 GLU C . 50074 1 278 . 1 . 1 27 27 GLU CA C 13 59.591 0.116 . 1 . . . . . 27 GLU CA . 50074 1 279 . 1 . 1 27 27 GLU CB C 13 29.265 0.062 . 1 . . . . . 27 GLU CB . 50074 1 280 . 1 . 1 27 27 GLU CG C 13 36.397 0.04 . 1 . . . . . 27 GLU CG . 50074 1 281 . 1 . 1 27 27 GLU N N 15 122.884 0.069 . 1 . . . . . 27 GLU N . 50074 1 282 . 1 . 1 28 28 ALA H H 1 8.422 0.016 . 1 . . . . . 28 ALA H . 50074 1 283 . 1 . 1 28 28 ALA HA H 1 4.051 0.005 . 1 . . . . . 28 ALA HA . 50074 1 284 . 1 . 1 28 28 ALA HB1 H 1 1.372 0 . 1 . . . . . 28 ALA HB1 . 50074 1 285 . 1 . 1 28 28 ALA HB2 H 1 1.372 0 . 1 . . . . . 28 ALA HB2 . 50074 1 286 . 1 . 1 28 28 ALA HB3 H 1 1.372 0 . 1 . . . . . 28 ALA HB3 . 50074 1 287 . 1 . 1 28 28 ALA C C 13 179.603 0.022 . 1 . . . . . 28 ALA C . 50074 1 288 . 1 . 1 28 28 ALA CA C 13 54.639 0.154 . 1 . . . . . 28 ALA CA . 50074 1 289 . 1 . 1 28 28 ALA CB C 13 18.676 0.125 . 1 . . . . . 28 ALA CB . 50074 1 290 . 1 . 1 28 28 ALA N N 15 119.282 0.059 . 1 . . . . . 28 ALA N . 50074 1 291 . 1 . 1 29 29 ALA H H 1 7.621 0.007 . 1 . . . . . 29 ALA H . 50074 1 292 . 1 . 1 29 29 ALA HA H 1 4.06 0.002 . 1 . . . . . 29 ALA HA . 50074 1 293 . 1 . 1 29 29 ALA HB1 H 1 1.372 0 . 1 . . . . . 29 ALA HB1 . 50074 1 294 . 1 . 1 29 29 ALA HB2 H 1 1.372 0 . 1 . . . . . 29 ALA HB2 . 50074 1 295 . 1 . 1 29 29 ALA HB3 H 1 1.372 0 . 1 . . . . . 29 ALA HB3 . 50074 1 296 . 1 . 1 29 29 ALA C C 13 178.691 0.011 . 1 . . . . . 29 ALA C . 50074 1 297 . 1 . 1 29 29 ALA CA C 13 55.072 0.078 . 1 . . . . . 29 ALA CA . 50074 1 298 . 1 . 1 29 29 ALA CB C 13 18.14 0.046 . 1 . . . . . 29 ALA CB . 50074 1 299 . 1 . 1 29 29 ALA N N 15 119.371 0.064 . 1 . . . . . 29 ALA N . 50074 1 300 . 1 . 1 30 30 GLY H H 1 7.217 0.009 . 1 . . . . . 30 GLY H . 50074 1 301 . 1 . 1 30 30 GLY HA2 H 1 3.341 0.004 . 2 . . . . . 30 GLY HA2 . 50074 1 302 . 1 . 1 30 30 GLY HA3 H 1 3.053 0.007 . 2 . . . . . 30 GLY HA3 . 50074 1 303 . 1 . 1 30 30 GLY C C 13 175.438 0.031 . 1 . . . . . 30 GLY C . 50074 1 304 . 1 . 1 30 30 GLY CA C 13 47.456 0.074 . 1 . . . . . 30 GLY CA . 50074 1 305 . 1 . 1 30 30 GLY N N 15 106.145 0.069 . 1 . . . . . 30 GLY N . 50074 1 306 . 1 . 1 31 31 ALA H H 1 7.364 0.014 . 1 . . . . . 31 ALA H . 50074 1 307 . 1 . 1 31 31 ALA HA H 1 3.903 0.004 . 1 . . . . . 31 ALA HA . 50074 1 308 . 1 . 1 31 31 ALA HB1 H 1 1.322 0.005 . 1 . . . . . 31 ALA HB1 . 50074 1 309 . 1 . 1 31 31 ALA HB2 H 1 1.322 0.005 . 1 . . . . . 31 ALA HB2 . 50074 1 310 . 1 . 1 31 31 ALA HB3 H 1 1.322 0.005 . 1 . . . . . 31 ALA HB3 . 50074 1 311 . 1 . 1 31 31 ALA C C 13 179.864 0.028 . 1 . . . . . 31 ALA C . 50074 1 312 . 1 . 1 31 31 ALA CA C 13 54.586 0.093 . 1 . . . . . 31 ALA CA . 50074 1 313 . 1 . 1 31 31 ALA CB C 13 17.743 0.136 . 1 . . . . . 31 ALA CB . 50074 1 314 . 1 . 1 31 31 ALA N N 15 122.609 0.085 . 1 . . . . . 31 ALA N . 50074 1 315 . 1 . 1 32 32 GLU H H 1 7.439 0.012 . 1 . . . . . 32 GLU H . 50074 1 316 . 1 . 1 32 32 GLU HA H 1 4.145 0.007 . 1 . . . . . 32 GLU HA . 50074 1 317 . 1 . 1 32 32 GLU HB2 H 1 2.285 0.003 . 1 . . . . . 32 GLU HB2 . 50074 1 318 . 1 . 1 32 32 GLU HB3 H 1 2.114 0.005 . 1 . . . . . 32 GLU HB3 . 50074 1 319 . 1 . 1 32 32 GLU HG2 H 1 2.621 0 . 1 . . . . . 32 GLU HG2 . 50074 1 320 . 1 . 1 32 32 GLU HG3 H 1 2.285 0.005 . 1 . . . . . 32 GLU HG3 . 50074 1 321 . 1 . 1 32 32 GLU C C 13 178.421 0.019 . 1 . . . . . 32 GLU C . 50074 1 322 . 1 . 1 32 32 GLU CA C 13 60.371 0.116 . 1 . . . . . 32 GLU CA . 50074 1 323 . 1 . 1 32 32 GLU CB C 13 30.008 0.132 . 1 . . . . . 32 GLU CB . 50074 1 324 . 1 . 1 32 32 GLU CG C 13 37.207 0.056 . 1 . . . . . 32 GLU CG . 50074 1 325 . 1 . 1 32 32 GLU N N 15 117.326 0.115 . 1 . . . . . 32 GLU N . 50074 1 326 . 1 . 1 33 33 VAL H H 1 7.569 0.009 . 1 . . . . . 33 VAL H . 50074 1 327 . 1 . 1 33 33 VAL HA H 1 3.485 0.006 . 1 . . . . . 33 VAL HA . 50074 1 328 . 1 . 1 33 33 VAL HB H 1 1.952 0.015 . 1 . . . . . 33 VAL HB . 50074 1 329 . 1 . 1 33 33 VAL HG11 H 1 0.992 0.008 . 2 . . . . . 33 VAL HG11 . 50074 1 330 . 1 . 1 33 33 VAL HG12 H 1 0.992 0.008 . 2 . . . . . 33 VAL HG12 . 50074 1 331 . 1 . 1 33 33 VAL HG13 H 1 0.992 0.008 . 2 . . . . . 33 VAL HG13 . 50074 1 332 . 1 . 1 33 33 VAL HG21 H 1 0.763 0.009 . 2 . . . . . 33 VAL HG21 . 50074 1 333 . 1 . 1 33 33 VAL HG22 H 1 0.763 0.009 . 2 . . . . . 33 VAL HG22 . 50074 1 334 . 1 . 1 33 33 VAL HG23 H 1 0.763 0.009 . 2 . . . . . 33 VAL HG23 . 50074 1 335 . 1 . 1 33 33 VAL C C 13 177.206 1.005 . 1 . . . . . 33 VAL C . 50074 1 336 . 1 . 1 33 33 VAL CA C 13 67.112 0.078 . 1 . . . . . 33 VAL CA . 50074 1 337 . 1 . 1 33 33 VAL CB C 13 31.42 0.153 . 1 . . . . . 33 VAL CB . 50074 1 338 . 1 . 1 33 33 VAL CG1 C 13 22.946 0 . 1 . . . . . 33 VAL CG1 . 50074 1 339 . 1 . 1 33 33 VAL CG2 C 13 20.961 0 . 1 . . . . . 33 VAL CG2 . 50074 1 340 . 1 . 1 33 33 VAL N N 15 115.91 0.123 . 1 . . . . . 33 VAL N . 50074 1 341 . 1 . 1 34 34 MET H H 1 7.941 0.009 . 1 . . . . . 34 MET H . 50074 1 342 . 1 . 1 34 34 MET HA H 1 4.05 0.009 . 1 . . . . . 34 MET HA . 50074 1 343 . 1 . 1 34 34 MET HB2 H 1 2.023 0 . 1 . . . . . 34 MET HB2 . 50074 1 344 . 1 . 1 34 34 MET HB3 H 1 1.945 0.009 . 1 . . . . . 34 MET HB3 . 50074 1 345 . 1 . 1 34 34 MET HG2 H 1 2.526 0.003 . 1 . . . . . 34 MET HG2 . 50074 1 346 . 1 . 1 34 34 MET HG3 H 1 2.396 0.004 . 1 . . . . . 34 MET HG3 . 50074 1 347 . 1 . 1 34 34 MET C C 13 176.732 0.009 . 1 . . . . . 34 MET C . 50074 1 348 . 1 . 1 34 34 MET CA C 13 57.797 0.064 . 1 . . . . . 34 MET CA . 50074 1 349 . 1 . 1 34 34 MET CB C 13 31.757 0.228 . 1 . . . . . 34 MET CB . 50074 1 350 . 1 . 1 34 34 MET CG C 13 33.053 0 . 1 . . . . . 34 MET CG . 50074 1 351 . 1 . 1 34 34 MET N N 15 116.932 0.081 . 1 . . . . . 34 MET N . 50074 1 352 . 1 . 1 35 35 ASN H H 1 7.24 0.01 . 1 . . . . . 35 ASN H . 50074 1 353 . 1 . 1 35 35 ASN HA H 1 4.672 0.002 . 1 . . . . . 35 ASN HA . 50074 1 354 . 1 . 1 35 35 ASN HB2 H 1 2.004 0.009 . 1 . . . . . 35 ASN HB2 . 50074 1 355 . 1 . 1 35 35 ASN HB3 H 1 2.199 0.004 . 1 . . . . . 35 ASN HB3 . 50074 1 356 . 1 . 1 35 35 ASN C C 13 174.707 0.051 . 1 . . . . . 35 ASN C . 50074 1 357 . 1 . 1 35 35 ASN CA C 13 52.927 0.042 . 1 . . . . . 35 ASN CA . 50074 1 358 . 1 . 1 35 35 ASN CB C 13 38.8 0.095 . 1 . . . . . 35 ASN CB . 50074 1 359 . 1 . 1 35 35 ASN N N 15 116.049 0.049 . 1 . . . . . 35 ASN N . 50074 1 360 . 1 . 1 36 36 PHE H H 1 7.388 0.012 . 1 . . . . . 36 PHE H . 50074 1 361 . 1 . 1 36 36 PHE HA H 1 4.684 0.023 . 1 . . . . . 36 PHE HA . 50074 1 362 . 1 . 1 36 36 PHE HB2 H 1 2.214 0 . 1 . . . . . 36 PHE HB2 . 50074 1 363 . 1 . 1 36 36 PHE HB3 H 1 2.214 0 . 1 . . . . . 36 PHE HB3 . 50074 1 364 . 1 . 1 36 36 PHE CA C 13 63.504 0.091 . 1 . . . . . 36 PHE CA . 50074 1 365 . 1 . 1 36 36 PHE CB C 13 40.536 0.052 . 1 . . . . . 36 PHE CB . 50074 1 366 . 1 . 1 36 36 PHE N N 15 119.15 0.075 . 1 . . . . . 36 PHE N . 50074 1 367 . 1 . 1 37 37 TRP H H 1 9.321 0.01 . 1 . . . . . 37 TRP H . 50074 1 368 . 1 . 1 37 37 TRP HA H 1 4.788 0.013 . 1 . . . . . 37 TRP HA . 50074 1 369 . 1 . 1 37 37 TRP HB2 H 1 3.777 0.003 . 1 . . . . . 37 TRP HB2 . 50074 1 370 . 1 . 1 37 37 TRP HB3 H 1 3.122 0.002 . 1 . . . . . 37 TRP HB3 . 50074 1 371 . 1 . 1 37 37 TRP C C 13 175.274 0.018 . 1 . . . . . 37 TRP C . 50074 1 372 . 1 . 1 37 37 TRP CA C 13 56.18 0.116 . 1 . . . . . 37 TRP CA . 50074 1 373 . 1 . 1 37 37 TRP CB C 13 29.148 0.105 . 1 . . . . . 37 TRP CB . 50074 1 374 . 1 . 1 37 37 TRP N N 15 112.901 0.085 . 1 . . . . . 37 TRP N . 50074 1 375 . 1 . 1 38 38 LYS H H 1 7.672 0.008 . 1 . . . . . 38 LYS H . 50074 1 376 . 1 . 1 38 38 LYS HA H 1 3.644 0.003 . 1 . . . . . 38 LYS HA . 50074 1 377 . 1 . 1 38 38 LYS HB2 H 1 1.417 0 . 1 . . . . . 38 LYS HB2 . 50074 1 378 . 1 . 1 38 38 LYS HB3 H 1 1.417 0 . 1 . . . . . 38 LYS HB3 . 50074 1 379 . 1 . 1 38 38 LYS C C 13 178.137 0.03 . 1 . . . . . 38 LYS C . 50074 1 380 . 1 . 1 38 38 LYS CA C 13 57.817 0.062 . 1 . . . . . 38 LYS CA . 50074 1 381 . 1 . 1 38 38 LYS CB C 13 31.86 0.038 . 1 . . . . . 38 LYS CB . 50074 1 382 . 1 . 1 38 38 LYS CG C 13 24.63 0 . 1 . . . . . 38 LYS CG . 50074 1 383 . 1 . 1 38 38 LYS CD C 13 29.293 0 . 1 . . . . . 38 LYS CD . 50074 1 384 . 1 . 1 38 38 LYS CE C 13 42.066 0 . 1 . . . . . 38 LYS CE . 50074 1 385 . 1 . 1 38 38 LYS N N 15 124.028 0.059 . 1 . . . . . 38 LYS N . 50074 1 386 . 1 . 1 39 39 GLU H H 1 9.334 0.056 . 1 . . . . . 39 GLU H . 50074 1 387 . 1 . 1 39 39 GLU HA H 1 3.78 0.011 . 1 . . . . . 39 GLU HA . 50074 1 388 . 1 . 1 39 39 GLU HB2 H 1 1.941 0.044 . 1 . . . . . 39 GLU HB2 . 50074 1 389 . 1 . 1 39 39 GLU HB3 H 1 1.894 0 . 1 . . . . . 39 GLU HB3 . 50074 1 390 . 1 . 1 39 39 GLU HG2 H 1 2.207 0.006 . 1 . . . . . 39 GLU HG2 . 50074 1 391 . 1 . 1 39 39 GLU HG3 H 1 2.1 0.007 . 1 . . . . . 39 GLU HG3 . 50074 1 392 . 1 . 1 39 39 GLU C C 13 177.748 0.043 . 1 . . . . . 39 GLU C . 50074 1 393 . 1 . 1 39 39 GLU CA C 13 58.498 0.148 . 1 . . . . . 39 GLU CA . 50074 1 394 . 1 . 1 39 39 GLU CB C 13 29.203 0.065 . 1 . . . . . 39 GLU CB . 50074 1 395 . 1 . 1 39 39 GLU CG C 13 36.274 0.013 . 1 . . . . . 39 GLU CG . 50074 1 396 . 1 . 1 39 39 GLU N N 15 135.575 0.467 . 1 . . . . . 39 GLU N . 50074 1 397 . 1 . 1 40 40 GLY H H 1 9.008 0.012 . 1 . . . . . 40 GLY H . 50074 1 398 . 1 . 1 40 40 GLY HA2 H 1 3.951 0.002 . 1 . . . . . 40 GLY HA2 . 50074 1 399 . 1 . 1 40 40 GLY HA3 H 1 3.513 0.032 . 1 . . . . . 40 GLY HA3 . 50074 1 400 . 1 . 1 40 40 GLY C C 13 172.96 0.009 . 1 . . . . . 40 GLY C . 50074 1 401 . 1 . 1 40 40 GLY CA C 13 45.4 0.134 . 1 . . . . . 40 GLY CA . 50074 1 402 . 1 . 1 40 40 GLY N N 15 114.383 0.062 . 1 . . . . . 40 GLY N . 50074 1 403 . 1 . 1 41 41 TYR H H 1 7.261 0.009 . 1 . . . . . 41 TYR H . 50074 1 404 . 1 . 1 41 41 TYR HA H 1 4.202 0.003 . 1 . . . . . 41 TYR HA . 50074 1 405 . 1 . 1 41 41 TYR HB2 H 1 2.511 0.003 . 1 . . . . . 41 TYR HB2 . 50074 1 406 . 1 . 1 41 41 TYR HB3 H 1 2.43 0.005 . 1 . . . . . 41 TYR HB3 . 50074 1 407 . 1 . 1 41 41 TYR C C 13 174.235 0.053 . 1 . . . . . 41 TYR C . 50074 1 408 . 1 . 1 41 41 TYR CA C 13 58.201 0.097 . 1 . . . . . 41 TYR CA . 50074 1 409 . 1 . 1 41 41 TYR CB C 13 40.81 0.155 . 1 . . . . . 41 TYR CB . 50074 1 410 . 1 . 1 41 41 TYR N N 15 121.488 0.07 . 1 . . . . . 41 TYR N . 50074 1 411 . 1 . 1 42 42 VAL H H 1 7.159 0.013 . 1 . . . . . 42 VAL H . 50074 1 412 . 1 . 1 42 42 VAL HA H 1 3.836 0.004 . 1 . . . . . 42 VAL HA . 50074 1 413 . 1 . 1 42 42 VAL HB H 1 1.549 0.005 . 1 . . . . . 42 VAL HB . 50074 1 414 . 1 . 1 42 42 VAL HG11 H 1 0.609 0.007 . 2 . . . . . 42 VAL HG11 . 50074 1 415 . 1 . 1 42 42 VAL HG12 H 1 0.609 0.007 . 2 . . . . . 42 VAL HG12 . 50074 1 416 . 1 . 1 42 42 VAL HG13 H 1 0.609 0.007 . 2 . . . . . 42 VAL HG13 . 50074 1 417 . 1 . 1 42 42 VAL HG21 H 1 0.609 0.007 . 2 . . . . . 42 VAL HG21 . 50074 1 418 . 1 . 1 42 42 VAL HG22 H 1 0.609 0.007 . 2 . . . . . 42 VAL HG22 . 50074 1 419 . 1 . 1 42 42 VAL HG23 H 1 0.609 0.007 . 2 . . . . . 42 VAL HG23 . 50074 1 420 . 1 . 1 42 42 VAL CA C 13 60.607 0.046 . 1 . . . . . 42 VAL CA . 50074 1 421 . 1 . 1 42 42 VAL CB C 13 33.867 0.025 . 1 . . . . . 42 VAL CB . 50074 1 422 . 1 . 1 42 42 VAL CG1 C 13 21.894 1.697 . 1 . . . . . 42 VAL CG1 . 50074 1 423 . 1 . 1 42 42 VAL CG2 C 13 20.66 0 . 1 . . . . . 42 VAL CG2 . 50074 1 424 . 1 . 1 42 42 VAL N N 15 127.2 0.054 . 1 . . . . . 42 VAL N . 50074 1 425 . 1 . 1 43 43 LEU H H 1 7.267 0.007 . 1 . . . . . 43 LEU H . 50074 1 426 . 1 . 1 43 43 LEU HA H 1 4.126 0.003 . 1 . . . . . 43 LEU HA . 50074 1 427 . 1 . 1 43 43 LEU HB2 H 1 1.441 0.001 . 1 . . . . . 43 LEU HB2 . 50074 1 428 . 1 . 1 43 43 LEU HB3 H 1 1.441 0.001 . 1 . . . . . 43 LEU HB3 . 50074 1 429 . 1 . 1 43 43 LEU HG H 1 1.335 0.002 . 1 . . . . . 43 LEU HG . 50074 1 430 . 1 . 1 43 43 LEU HD11 H 1 0.841 0.001 . 2 . . . . . 43 LEU HD11 . 50074 1 431 . 1 . 1 43 43 LEU HD12 H 1 0.841 0.001 . 2 . . . . . 43 LEU HD12 . 50074 1 432 . 1 . 1 43 43 LEU HD13 H 1 0.841 0.001 . 2 . . . . . 43 LEU HD13 . 50074 1 433 . 1 . 1 43 43 LEU HD21 H 1 0.789 0.005 . 2 . . . . . 43 LEU HD21 . 50074 1 434 . 1 . 1 43 43 LEU HD22 H 1 0.789 0.005 . 2 . . . . . 43 LEU HD22 . 50074 1 435 . 1 . 1 43 43 LEU HD23 H 1 0.789 0.005 . 2 . . . . . 43 LEU HD23 . 50074 1 436 . 1 . 1 43 43 LEU C C 13 175.17 0.012 . 1 . . . . . 43 LEU C . 50074 1 437 . 1 . 1 43 43 LEU CA C 13 56.457 0.06 . 1 . . . . . 43 LEU CA . 50074 1 438 . 1 . 1 43 43 LEU CB C 13 42.768 0.055 . 1 . . . . . 43 LEU CB . 50074 1 439 . 1 . 1 43 43 LEU CG C 13 29.577 0 . 1 . . . . . 43 LEU CG . 50074 1 440 . 1 . 1 43 43 LEU CD1 C 13 25.579 0 . 1 . . . . . 43 LEU CD1 . 50074 1 441 . 1 . 1 43 43 LEU N N 15 128.255 0.071 . 1 . . . . . 43 LEU N . 50074 1 442 . 1 . 1 44 44 THR H H 1 9.03 0.031 . 1 . . . . . 44 THR H . 50074 1 443 . 1 . 1 44 44 THR HA H 1 4.33 0.002 . 1 . . . . . 44 THR HA . 50074 1 444 . 1 . 1 44 44 THR HB H 1 4.073 0.003 . 1 . . . . . 44 THR HB . 50074 1 445 . 1 . 1 44 44 THR HG21 H 1 0.929 0.004 . 1 . . . . . 44 THR HG21 . 50074 1 446 . 1 . 1 44 44 THR HG22 H 1 0.929 0.004 . 1 . . . . . 44 THR HG22 . 50074 1 447 . 1 . 1 44 44 THR HG23 H 1 0.929 0.004 . 1 . . . . . 44 THR HG23 . 50074 1 448 . 1 . 1 44 44 THR C C 13 174.527 0.889 . 1 . . . . . 44 THR C . 50074 1 449 . 1 . 1 44 44 THR CA C 13 61.962 0.195 . 1 . . . . . 44 THR CA . 50074 1 450 . 1 . 1 44 44 THR CB C 13 71.586 0.151 . 1 . . . . . 44 THR CB . 50074 1 451 . 1 . 1 44 44 THR CG2 C 13 21.155 0.443 . 1 . . . . . 44 THR CG2 . 50074 1 452 . 1 . 1 44 44 THR N N 15 110.994 0.085 . 1 . . . . . 44 THR N . 50074 1 453 . 1 . 1 45 45 SER H H 1 9.094 0.013 . 1 . . . . . 45 SER H . 50074 1 454 . 1 . 1 45 45 SER HA H 1 4.435 0.009 . 1 . . . . . 45 SER HA . 50074 1 455 . 1 . 1 45 45 SER HB2 H 1 4.145 0.012 . 1 . . . . . 45 SER HB2 . 50074 1 456 . 1 . 1 45 45 SER HB3 H 1 3.946 0.007 . 1 . . . . . 45 SER HB3 . 50074 1 457 . 1 . 1 45 45 SER C C 13 174.779 0.003 . 1 . . . . . 45 SER C . 50074 1 458 . 1 . 1 45 45 SER CA C 13 58.172 0.153 . 1 . . . . . 45 SER CA . 50074 1 459 . 1 . 1 45 45 SER CB C 13 64.135 0.278 . 1 . . . . . 45 SER CB . 50074 1 460 . 1 . 1 45 45 SER N N 15 121.721 0.06 . 1 . . . . . 45 SER N . 50074 1 461 . 1 . 1 46 46 ARG H H 1 8.945 0.011 . 1 . . . . . 46 ARG H . 50074 1 462 . 1 . 1 46 46 ARG HA H 1 3.609 0.002 . 1 . . . . . 46 ARG HA . 50074 1 463 . 1 . 1 46 46 ARG HB2 H 1 1.859 0.002 . 1 . . . . . 46 ARG HB2 . 50074 1 464 . 1 . 1 46 46 ARG HB3 H 1 1.632 0.038 . 1 . . . . . 46 ARG HB3 . 50074 1 465 . 1 . 1 46 46 ARG HD2 H 1 3.187 0.001 . 1 . . . . . 46 ARG HD2 . 50074 1 466 . 1 . 1 46 46 ARG HD3 H 1 3.034 0.002 . 1 . . . . . 46 ARG HD3 . 50074 1 467 . 1 . 1 46 46 ARG C C 13 178.265 0.005 . 1 . . . . . 46 ARG C . 50074 1 468 . 1 . 1 46 46 ARG CA C 13 60.004 0.074 . 1 . . . . . 46 ARG CA . 50074 1 469 . 1 . 1 46 46 ARG CB C 13 29.452 0.134 . 1 . . . . . 46 ARG CB . 50074 1 470 . 1 . 1 46 46 ARG CG C 13 28.543 0 . 1 . . . . . 46 ARG CG . 50074 1 471 . 1 . 1 46 46 ARG CD C 13 42.839 0.032 . 1 . . . . . 46 ARG CD . 50074 1 472 . 1 . 1 46 46 ARG N N 15 125.834 0.082 . 1 . . . . . 46 ARG N . 50074 1 473 . 1 . 1 47 47 GLU H H 1 9.046 0.009 . 1 . . . . . 47 GLU H . 50074 1 474 . 1 . 1 47 47 GLU HA H 1 3.803 0.004 . 1 . . . . . 47 GLU HA . 50074 1 475 . 1 . 1 47 47 GLU HB2 H 1 2.075 0.004 . 1 . . . . . 47 GLU HB2 . 50074 1 476 . 1 . 1 47 47 GLU HB3 H 1 1.782 0.004 . 1 . . . . . 47 GLU HB3 . 50074 1 477 . 1 . 1 47 47 GLU HG2 H 1 2.456 0.006 . 1 . . . . . 47 GLU HG2 . 50074 1 478 . 1 . 1 47 47 GLU HG3 H 1 2.185 0.004 . 1 . . . . . 47 GLU HG3 . 50074 1 479 . 1 . 1 47 47 GLU C C 13 178.479 0.008 . 1 . . . . . 47 GLU C . 50074 1 480 . 1 . 1 47 47 GLU CA C 13 61.374 0.095 . 1 . . . . . 47 GLU CA . 50074 1 481 . 1 . 1 47 47 GLU CB C 13 28.601 0.074 . 1 . . . . . 47 GLU CB . 50074 1 482 . 1 . 1 47 47 GLU CG C 13 37.847 0.013 . 1 . . . . . 47 GLU CG . 50074 1 483 . 1 . 1 47 47 GLU N N 15 116.251 0.062 . 1 . . . . . 47 GLU N . 50074 1 484 . 1 . 1 48 48 ALA H H 1 8.065 0.009 . 1 . . . . . 48 ALA H . 50074 1 485 . 1 . 1 48 48 ALA HA H 1 3.97 0.004 . 1 . . . . . 48 ALA HA . 50074 1 486 . 1 . 1 48 48 ALA HB1 H 1 1.538 0.003 . 1 . . . . . 48 ALA HB1 . 50074 1 487 . 1 . 1 48 48 ALA HB2 H 1 1.538 0.003 . 1 . . . . . 48 ALA HB2 . 50074 1 488 . 1 . 1 48 48 ALA HB3 H 1 1.538 0.003 . 1 . . . . . 48 ALA HB3 . 50074 1 489 . 1 . 1 48 48 ALA C C 13 179.763 0.009 . 1 . . . . . 48 ALA C . 50074 1 490 . 1 . 1 48 48 ALA CA C 13 55.462 0.122 . 1 . . . . . 48 ALA CA . 50074 1 491 . 1 . 1 48 48 ALA CB C 13 18.414 0.035 . 1 . . . . . 48 ALA CB . 50074 1 492 . 1 . 1 48 48 ALA N N 15 122.898 0.071 . 1 . . . . . 48 ALA N . 50074 1 493 . 1 . 1 49 49 GLY H H 1 7.543 0.009 . 1 . . . . . 49 GLY H . 50074 1 494 . 1 . 1 49 49 GLY HA2 H 1 4.122 0.039 . 2 . . . . . 49 GLY HA2 . 50074 1 495 . 1 . 1 49 49 GLY HA3 H 1 3.45 0.036 . 2 . . . . . 49 GLY HA3 . 50074 1 496 . 1 . 1 49 49 GLY C C 13 175.664 0.005 . 1 . . . . . 49 GLY C . 50074 1 497 . 1 . 1 49 49 GLY CA C 13 48.383 0.685 . 1 . . . . . 49 GLY CA . 50074 1 498 . 1 . 1 49 49 GLY N N 15 105.63 0.058 . 1 . . . . . 49 GLY N . 50074 1 499 . 1 . 1 50 50 CYS H H 1 8.551 0.016 . 1 . . . . . 50 CYS H . 50074 1 500 . 1 . 1 50 50 CYS HA H 1 4.442 0.003 . 1 . . . . . 50 CYS HA . 50074 1 501 . 1 . 1 50 50 CYS HB2 H 1 2.837 0.003 . 1 . . . . . 50 CYS HB2 . 50074 1 502 . 1 . 1 50 50 CYS HB3 H 1 2.71 0.003 . 1 . . . . . 50 CYS HB3 . 50074 1 503 . 1 . 1 50 50 CYS C C 13 177.735 0.244 . 1 . . . . . 50 CYS C . 50074 1 504 . 1 . 1 50 50 CYS CA C 13 55.229 0.033 . 1 . . . . . 50 CYS CA . 50074 1 505 . 1 . 1 50 50 CYS CB C 13 34.937 0.139 . 1 . . . . . 50 CYS CB . 50074 1 506 . 1 . 1 50 50 CYS N N 15 119.096 0.049 . 1 . . . . . 50 CYS N . 50074 1 507 . 1 . 1 51 51 ALA H H 1 8.466 0.018 . 1 . . . . . 51 ALA H . 50074 1 508 . 1 . 1 51 51 ALA HA H 1 3.582 0.004 . 1 . . . . . 51 ALA HA . 50074 1 509 . 1 . 1 51 51 ALA HB1 H 1 1.543 0.01 . 1 . . . . . 51 ALA HB1 . 50074 1 510 . 1 . 1 51 51 ALA HB2 H 1 1.543 0.01 . 1 . . . . . 51 ALA HB2 . 50074 1 511 . 1 . 1 51 51 ALA HB3 H 1 1.543 0.01 . 1 . . . . . 51 ALA HB3 . 50074 1 512 . 1 . 1 51 51 ALA C C 13 178.123 0.01 . 1 . . . . . 51 ALA C . 50074 1 513 . 1 . 1 51 51 ALA CA C 13 55.978 0.114 . 1 . . . . . 51 ALA CA . 50074 1 514 . 1 . 1 51 51 ALA CB C 13 18.085 0.084 . 1 . . . . . 51 ALA CB . 50074 1 515 . 1 . 1 51 51 ALA N N 15 123.392 0.074 . 1 . . . . . 51 ALA N . 50074 1 516 . 1 . 1 52 52 ILE H H 1 8.052 0.01 . 1 . . . . . 52 ILE H . 50074 1 517 . 1 . 1 52 52 ILE HA H 1 3.545 0.007 . 1 . . . . . 52 ILE HA . 50074 1 518 . 1 . 1 52 52 ILE HB H 1 1.92 0.002 . 1 . . . . . 52 ILE HB . 50074 1 519 . 1 . 1 52 52 ILE HG21 H 1 0.864 0.002 . 1 . . . . . 52 ILE HG21 . 50074 1 520 . 1 . 1 52 52 ILE HG22 H 1 0.864 0.002 . 1 . . . . . 52 ILE HG22 . 50074 1 521 . 1 . 1 52 52 ILE HG23 H 1 0.864 0.002 . 1 . . . . . 52 ILE HG23 . 50074 1 522 . 1 . 1 52 52 ILE HD11 H 1 0.765 0 . 1 . . . . . 52 ILE HD11 . 50074 1 523 . 1 . 1 52 52 ILE HD12 H 1 0.765 0 . 1 . . . . . 52 ILE HD12 . 50074 1 524 . 1 . 1 52 52 ILE HD13 H 1 0.765 0 . 1 . . . . . 52 ILE HD13 . 50074 1 525 . 1 . 1 52 52 ILE C C 13 174.456 0 . 1 . . . . . 52 ILE C . 50074 1 526 . 1 . 1 52 52 ILE CA C 13 65.808 0.049 . 1 . . . . . 52 ILE CA . 50074 1 527 . 1 . 1 52 52 ILE CB C 13 37.741 0.052 . 1 . . . . . 52 ILE CB . 50074 1 528 . 1 . 1 52 52 ILE CG1 C 13 29.898 0 . 1 . . . . . 52 ILE CG1 . 50074 1 529 . 1 . 1 52 52 ILE CG2 C 13 17.364 0 . 1 . . . . . 52 ILE CG2 . 50074 1 530 . 1 . 1 52 52 ILE CD1 C 13 12.445 0 . 1 . . . . . 52 ILE CD1 . 50074 1 531 . 1 . 1 52 52 ILE N N 15 118.417 0.094 . 1 . . . . . 52 ILE N . 50074 1 532 . 1 . 1 53 53 LEU H H 1 8.038 0.007 . 1 . . . . . 53 LEU H . 50074 1 533 . 1 . 1 53 53 LEU HA H 1 3.845 0 . 1 . . . . . 53 LEU HA . 50074 1 534 . 1 . 1 53 53 LEU C C 13 174.678 0.035 . 1 . . . . . 53 LEU C . 50074 1 535 . 1 . 1 53 53 LEU CA C 13 57.652 1.656 . 1 . . . . . 53 LEU CA . 50074 1 536 . 1 . 1 53 53 LEU CB C 13 41.791 0.466 . 1 . . . . . 53 LEU CB . 50074 1 537 . 1 . 1 53 53 LEU CG C 13 26.51 0 . 1 . . . . . 53 LEU CG . 50074 1 538 . 1 . 1 53 53 LEU CD1 C 13 24.885 0 . 1 . . . . . 53 LEU CD1 . 50074 1 539 . 1 . 1 53 53 LEU N N 15 123.06 0.1 . 1 . . . . . 53 LEU N . 50074 1 540 . 1 . 1 54 54 CYS H H 1 8.067 0.01 . 1 . . . . . 54 CYS H . 50074 1 541 . 1 . 1 54 54 CYS HA H 1 4.015 0.005 . 1 . . . . . 54 CYS HA . 50074 1 542 . 1 . 1 54 54 CYS HB2 H 1 2.83 0.016 . 1 . . . . . 54 CYS HB2 . 50074 1 543 . 1 . 1 54 54 CYS HB3 H 1 2.83 0.016 . 1 . . . . . 54 CYS HB3 . 50074 1 544 . 1 . 1 54 54 CYS C C 13 176.429 0.237 . 1 . . . . . 54 CYS C . 50074 1 545 . 1 . 1 54 54 CYS CA C 13 60.003 0.036 . 1 . . . . . 54 CYS CA . 50074 1 546 . 1 . 1 54 54 CYS CB C 13 42.17 0.012 . 1 . . . . . 54 CYS CB . 50074 1 547 . 1 . 1 54 54 CYS N N 15 119.61 0.057 . 1 . . . . . 54 CYS N . 50074 1 548 . 1 . 1 55 55 LEU H H 1 8.88 0.009 . 1 . . . . . 55 LEU H . 50074 1 549 . 1 . 1 55 55 LEU HA H 1 3.53 0.006 . 1 . . . . . 55 LEU HA . 50074 1 550 . 1 . 1 55 55 LEU HB2 H 1 1.842 0.001 . 1 . . . . . 55 LEU HB2 . 50074 1 551 . 1 . 1 55 55 LEU HB3 H 1 1.271 0.006 . 1 . . . . . 55 LEU HB3 . 50074 1 552 . 1 . 1 55 55 LEU HG H 1 0.694 0.001 . 1 . . . . . 55 LEU HG . 50074 1 553 . 1 . 1 55 55 LEU HD11 H 1 0.613 0 . 2 . . . . . 55 LEU HD11 . 50074 1 554 . 1 . 1 55 55 LEU HD12 H 1 0.613 0 . 2 . . . . . 55 LEU HD12 . 50074 1 555 . 1 . 1 55 55 LEU HD13 H 1 0.613 0 . 2 . . . . . 55 LEU HD13 . 50074 1 556 . 1 . 1 55 55 LEU HD21 H 1 0.244 0.004 . 2 . . . . . 55 LEU HD21 . 50074 1 557 . 1 . 1 55 55 LEU HD22 H 1 0.244 0.004 . 2 . . . . . 55 LEU HD22 . 50074 1 558 . 1 . 1 55 55 LEU HD23 H 1 0.244 0.004 . 2 . . . . . 55 LEU HD23 . 50074 1 559 . 1 . 1 55 55 LEU C C 13 179.013 0 . 1 . . . . . 55 LEU C . 50074 1 560 . 1 . 1 55 55 LEU CA C 13 57.628 0.14 . 1 . . . . . 55 LEU CA . 50074 1 561 . 1 . 1 55 55 LEU CB C 13 40.417 0.066 . 1 . . . . . 55 LEU CB . 50074 1 562 . 1 . 1 55 55 LEU CG C 13 26.048 0 . 1 . . . . . 55 LEU CG . 50074 1 563 . 1 . 1 55 55 LEU CD1 C 13 26.048 0 . 1 . . . . . 55 LEU CD1 . 50074 1 564 . 1 . 1 55 55 LEU N N 15 122.92 0.054 . 1 . . . . . 55 LEU N . 50074 1 565 . 1 . 1 56 56 SER H H 1 7.851 0.01 . 1 . . . . . 56 SER H . 50074 1 566 . 1 . 1 56 56 SER HA H 1 3.883 0.01 . 1 . . . . . 56 SER HA . 50074 1 567 . 1 . 1 56 56 SER HB2 H 1 3.685 0.097 . 1 . . . . . 56 SER HB2 . 50074 1 568 . 1 . 1 56 56 SER HB3 H 1 3.547 0.01 . 1 . . . . . 56 SER HB3 . 50074 1 569 . 1 . 1 56 56 SER C C 13 176.08 0 . 1 . . . . . 56 SER C . 50074 1 570 . 1 . 1 56 56 SER CA C 13 62.966 0.045 . 1 . . . . . 56 SER CA . 50074 1 571 . 1 . 1 56 56 SER CB C 13 63.429 0.05 . 1 . . . . . 56 SER CB . 50074 1 572 . 1 . 1 56 56 SER N N 15 114.271 0.05 . 1 . . . . . 56 SER N . 50074 1 573 . 1 . 1 57 57 SER H H 1 8.037 0.008 . 1 . . . . . 57 SER H . 50074 1 574 . 1 . 1 57 57 SER HA H 1 4.277 0.003 . 1 . . . . . 57 SER HA . 50074 1 575 . 1 . 1 57 57 SER HB2 H 1 3.975 0.015 . 1 . . . . . 57 SER HB2 . 50074 1 576 . 1 . 1 57 57 SER HB3 H 1 3.975 0.015 . 1 . . . . . 57 SER HB3 . 50074 1 577 . 1 . 1 57 57 SER CA C 13 61.337 0.069 . 1 . . . . . 57 SER CA . 50074 1 578 . 1 . 1 57 57 SER CB C 13 62.742 0.134 . 1 . . . . . 57 SER CB . 50074 1 579 . 1 . 1 57 57 SER N N 15 118.906 0.044 . 1 . . . . . 57 SER N . 50074 1 580 . 1 . 1 58 58 LYS H H 1 8.359 0.009 . 1 . . . . . 58 LYS H . 50074 1 581 . 1 . 1 58 58 LYS CA C 13 57.399 0.053 . 1 . . . . . 58 LYS CA . 50074 1 582 . 1 . 1 58 58 LYS CB C 13 31.008 0.014 . 1 . . . . . 58 LYS CB . 50074 1 583 . 1 . 1 58 58 LYS CG C 13 24.75 0 . 1 . . . . . 58 LYS CG . 50074 1 584 . 1 . 1 58 58 LYS CD C 13 27.801 0 . 1 . . . . . 58 LYS CD . 50074 1 585 . 1 . 1 58 58 LYS CE C 13 42.31 0 . 1 . . . . . 58 LYS CE . 50074 1 586 . 1 . 1 58 58 LYS N N 15 122.202 0.041 . 1 . . . . . 58 LYS N . 50074 1 587 . 1 . 1 59 59 LEU H H 1 6.65 0.009 . 1 . . . . . 59 LEU H . 50074 1 588 . 1 . 1 59 59 LEU HA H 1 4.216 0.008 . 1 . . . . . 59 LEU HA . 50074 1 589 . 1 . 1 59 59 LEU HB2 H 1 1.402 0.005 . 1 . . . . . 59 LEU HB2 . 50074 1 590 . 1 . 1 59 59 LEU HB3 H 1 1.249 0.005 . 1 . . . . . 59 LEU HB3 . 50074 1 591 . 1 . 1 59 59 LEU HG H 1 1.197 0 . 1 . . . . . 59 LEU HG . 50074 1 592 . 1 . 1 59 59 LEU HD11 H 1 0.7 0.007 . 2 . . . . . 59 LEU HD11 . 50074 1 593 . 1 . 1 59 59 LEU HD12 H 1 0.7 0.007 . 2 . . . . . 59 LEU HD12 . 50074 1 594 . 1 . 1 59 59 LEU HD13 H 1 0.7 0.007 . 2 . . . . . 59 LEU HD13 . 50074 1 595 . 1 . 1 59 59 LEU HD21 H 1 0.376 0.004 . 2 . . . . . 59 LEU HD21 . 50074 1 596 . 1 . 1 59 59 LEU HD22 H 1 0.376 0.004 . 2 . . . . . 59 LEU HD22 . 50074 1 597 . 1 . 1 59 59 LEU HD23 H 1 0.376 0.004 . 2 . . . . . 59 LEU HD23 . 50074 1 598 . 1 . 1 59 59 LEU CA C 13 54.019 0.032 . 1 . . . . . 59 LEU CA . 50074 1 599 . 1 . 1 59 59 LEU CB C 13 42.926 0.063 . 1 . . . . . 59 LEU CB . 50074 1 600 . 1 . 1 59 59 LEU CG C 13 26.977 0 . 1 . . . . . 59 LEU CG . 50074 1 601 . 1 . 1 59 59 LEU CD1 C 13 24.734 0.019 . 1 . . . . . 59 LEU CD1 . 50074 1 602 . 1 . 1 59 59 LEU CD2 C 13 22.645 0 . 1 . . . . . 59 LEU CD2 . 50074 1 603 . 1 . 1 59 59 LEU N N 15 118.06 0.051 . 1 . . . . . 59 LEU N . 50074 1 604 . 1 . 1 60 60 ASN H H 1 7.879 0.007 . 1 . . . . . 60 ASN H . 50074 1 605 . 1 . 1 60 60 ASN HA H 1 4.543 0.001 . 1 . . . . . 60 ASN HA . 50074 1 606 . 1 . 1 60 60 ASN HB2 H 1 2.887 0.005 . 1 . . . . . 60 ASN HB2 . 50074 1 607 . 1 . 1 60 60 ASN HB3 H 1 2.677 0.005 . 1 . . . . . 60 ASN HB3 . 50074 1 608 . 1 . 1 60 60 ASN C C 13 175.155 0 . 1 . . . . . 60 ASN C . 50074 1 609 . 1 . 1 60 60 ASN CA C 13 54.115 0.052 . 1 . . . . . 60 ASN CA . 50074 1 610 . 1 . 1 60 60 ASN CB C 13 36.824 0.061 . 1 . . . . . 60 ASN CB . 50074 1 611 . 1 . 1 60 60 ASN N N 15 114.352 0.058 . 1 . . . . . 60 ASN N . 50074 1 612 . 1 . 1 61 61 LEU H H 1 7.756 0.011 . 1 . . . . . 61 LEU H . 50074 1 613 . 1 . 1 61 61 LEU CA C 13 55.506 0 . 1 . . . . . 61 LEU CA . 50074 1 614 . 1 . 1 61 61 LEU CB C 13 40.941 0 . 1 . . . . . 61 LEU CB . 50074 1 615 . 1 . 1 61 61 LEU N N 15 111.024 0.048 . 1 . . . . . 61 LEU N . 50074 1 616 . 1 . 1 63 63 ASP H H 1 9.267 0.009 . 1 . . . . . 63 ASP H . 50074 1 617 . 1 . 1 63 63 ASP CA C 13 52.687 0 . 1 . . . . . 63 ASP CA . 50074 1 618 . 1 . 1 63 63 ASP CB C 13 41.357 0 . 1 . . . . . 63 ASP CB . 50074 1 619 . 1 . 1 63 63 ASP N N 15 126.175 0.047 . 1 . . . . . 63 ASP N . 50074 1 620 . 1 . 1 64 64 PRO HA H 1 4.272 0.008 . 1 . . . . . 64 PRO HA . 50074 1 621 . 1 . 1 64 64 PRO HB2 H 1 2.357 0.005 . 1 . . . . . 64 PRO HB2 . 50074 1 622 . 1 . 1 64 64 PRO HB3 H 1 2.065 0.004 . 1 . . . . . 64 PRO HB3 . 50074 1 623 . 1 . 1 64 64 PRO HG2 H 1 1.939 0.003 . 1 . . . . . 64 PRO HG2 . 50074 1 624 . 1 . 1 64 64 PRO HG3 H 1 1.851 0.007 . 1 . . . . . 64 PRO HG3 . 50074 1 625 . 1 . 1 64 64 PRO HD2 H 1 3.841 0.005 . 1 . . . . . 64 PRO HD2 . 50074 1 626 . 1 . 1 64 64 PRO HD3 H 1 3.707 0.006 . 1 . . . . . 64 PRO HD3 . 50074 1 627 . 1 . 1 64 64 PRO C C 13 177.507 0.007 . 1 . . . . . 64 PRO C . 50074 1 628 . 1 . 1 64 64 PRO CA C 13 65.306 0.092 . 1 . . . . . 64 PRO CA . 50074 1 629 . 1 . 1 64 64 PRO CB C 13 31.86 0.07 . 1 . . . . . 64 PRO CB . 50074 1 630 . 1 . 1 64 64 PRO CG C 13 27.663 0.021 . 1 . . . . . 64 PRO CG . 50074 1 631 . 1 . 1 64 64 PRO CD C 13 51.328 0.07 . 1 . . . . . 64 PRO CD . 50074 1 632 . 1 . 1 65 65 GLU H H 1 8.489 0.012 . 1 . . . . . 65 GLU H . 50074 1 633 . 1 . 1 65 65 GLU HA H 1 4.25 0.004 . 1 . . . . . 65 GLU HA . 50074 1 634 . 1 . 1 65 65 GLU HB2 H 1 1.948 0.005 . 1 . . . . . 65 GLU HB2 . 50074 1 635 . 1 . 1 65 65 GLU HB3 H 1 1.948 0.005 . 1 . . . . . 65 GLU HB3 . 50074 1 636 . 1 . 1 65 65 GLU HG2 H 1 2.188 0.003 . 1 . . . . . 65 GLU HG2 . 50074 1 637 . 1 . 1 65 65 GLU HG3 H 1 2.114 0.008 . 1 . . . . . 65 GLU HG3 . 50074 1 638 . 1 . 1 65 65 GLU C C 13 177.086 0.011 . 1 . . . . . 65 GLU C . 50074 1 639 . 1 . 1 65 65 GLU CA C 13 56.528 0.181 . 1 . . . . . 65 GLU CA . 50074 1 640 . 1 . 1 65 65 GLU CB C 13 29.353 0.145 . 1 . . . . . 65 GLU CB . 50074 1 641 . 1 . 1 65 65 GLU CG C 13 36.853 0.003 . 1 . . . . . 65 GLU CG . 50074 1 642 . 1 . 1 65 65 GLU N N 15 115.671 0.092 . 1 . . . . . 65 GLU N . 50074 1 643 . 1 . 1 66 66 GLY H H 1 8.327 0.009 . 1 . . . . . 66 GLY H . 50074 1 644 . 1 . 1 66 66 GLY HA2 H 1 4.175 0.02 . 2 . . . . . 66 GLY HA2 . 50074 1 645 . 1 . 1 66 66 GLY HA3 H 1 3.475 0.015 . 2 . . . . . 66 GLY HA3 . 50074 1 646 . 1 . 1 66 66 GLY C C 13 173.196 0.016 . 1 . . . . . 66 GLY C . 50074 1 647 . 1 . 1 66 66 GLY CA C 13 45.661 0 . 1 . . . . . 66 GLY CA . 50074 1 648 . 1 . 1 66 66 GLY N N 15 108.009 0.077 . 1 . . . . . 66 GLY N . 50074 1 649 . 1 . 1 67 67 THR H H 1 7.509 0.011 . 1 . . . . . 67 THR H . 50074 1 650 . 1 . 1 67 67 THR HA H 1 4.505 0.008 . 1 . . . . . 67 THR HA . 50074 1 651 . 1 . 1 67 67 THR HB H 1 4.147 0.004 . 1 . . . . . 67 THR HB . 50074 1 652 . 1 . 1 67 67 THR HG1 H 1 5.528 0.461 . 1 . . . . . 67 THR HG1 . 50074 1 653 . 1 . 1 67 67 THR HG21 H 1 0.951 0.006 . 1 . . . . . 67 THR HG21 . 50074 1 654 . 1 . 1 67 67 THR HG22 H 1 0.951 0.006 . 1 . . . . . 67 THR HG22 . 50074 1 655 . 1 . 1 67 67 THR HG23 H 1 0.951 0.006 . 1 . . . . . 67 THR HG23 . 50074 1 656 . 1 . 1 67 67 THR C C 13 173.64 0.005 . 1 . . . . . 67 THR C . 50074 1 657 . 1 . 1 67 67 THR CA C 13 59.641 0.045 . 1 . . . . . 67 THR CA . 50074 1 658 . 1 . 1 67 67 THR CB C 13 69.814 0.245 . 1 . . . . . 67 THR CB . 50074 1 659 . 1 . 1 67 67 THR CG2 C 13 21.115 0 . 1 . . . . . 67 THR CG2 . 50074 1 660 . 1 . 1 67 67 THR N N 15 113.73 0.077 . 1 . . . . . 67 THR N . 50074 1 661 . 1 . 1 68 68 LEU H H 1 9.258 0.016 . 1 . . . . . 68 LEU H . 50074 1 662 . 1 . 1 68 68 LEU HA H 1 4.771 0 . 1 . . . . . 68 LEU HA . 50074 1 663 . 1 . 1 68 68 LEU HB2 H 1 1.548 0 . 1 . . . . . 68 LEU HB2 . 50074 1 664 . 1 . 1 68 68 LEU HB3 H 1 1.548 0 . 1 . . . . . 68 LEU HB3 . 50074 1 665 . 1 . 1 68 68 LEU HG H 1 1.454 0 . 1 . . . . . 68 LEU HG . 50074 1 666 . 1 . 1 68 68 LEU HD11 H 1 1.482 0 . 2 . . . . . 68 LEU HD11 . 50074 1 667 . 1 . 1 68 68 LEU HD12 H 1 1.482 0 . 2 . . . . . 68 LEU HD12 . 50074 1 668 . 1 . 1 68 68 LEU HD13 H 1 1.482 0 . 2 . . . . . 68 LEU HD13 . 50074 1 669 . 1 . 1 68 68 LEU HD21 H 1 1.482 0 . 2 . . . . . 68 LEU HD21 . 50074 1 670 . 1 . 1 68 68 LEU HD22 H 1 1.482 0 . 2 . . . . . 68 LEU HD22 . 50074 1 671 . 1 . 1 68 68 LEU HD23 H 1 1.482 0 . 2 . . . . . 68 LEU HD23 . 50074 1 672 . 1 . 1 68 68 LEU C C 13 175.972 0 . 1 . . . . . 68 LEU C . 50074 1 673 . 1 . 1 68 68 LEU CA C 13 56.656 0.023 . 1 . . . . . 68 LEU CA . 50074 1 674 . 1 . 1 68 68 LEU CB C 13 42.611 0.094 . 1 . . . . . 68 LEU CB . 50074 1 675 . 1 . 1 68 68 LEU CG C 13 27.401 0 . 1 . . . . . 68 LEU CG . 50074 1 676 . 1 . 1 68 68 LEU CD1 C 13 24.344 0 . 1 . . . . . 68 LEU CD1 . 50074 1 677 . 1 . 1 68 68 LEU N N 15 126.829 0.093 . 1 . . . . . 68 LEU N . 50074 1 678 . 1 . 1 69 69 HIS H H 1 9.687 0.009 . 1 . . . . . 69 HIS H . 50074 1 679 . 1 . 1 69 69 HIS HA H 1 4.345 0.021 . 1 . . . . . 69 HIS HA . 50074 1 680 . 1 . 1 69 69 HIS HB2 H 1 3.059 0 . 1 . . . . . 69 HIS HB2 . 50074 1 681 . 1 . 1 69 69 HIS HB3 H 1 2.561 0 . 1 . . . . . 69 HIS HB3 . 50074 1 682 . 1 . 1 69 69 HIS C C 13 176.294 0.011 . 1 . . . . . 69 HIS C . 50074 1 683 . 1 . 1 69 69 HIS CA C 13 57.73 0.242 . 1 . . . . . 69 HIS CA . 50074 1 684 . 1 . 1 69 69 HIS CB C 13 31.85 0.082 . 1 . . . . . 69 HIS CB . 50074 1 685 . 1 . 1 69 69 HIS N N 15 131.618 0.072 . 1 . . . . . 69 HIS N . 50074 1 686 . 1 . 1 70 70 ARG H H 1 9.021 0.02 . 1 . . . . . 70 ARG H . 50074 1 687 . 1 . 1 70 70 ARG HA H 1 4.611 0.004 . 1 . . . . . 70 ARG HA . 50074 1 688 . 1 . 1 70 70 ARG C C 13 176.633 0.008 . 1 . . . . . 70 ARG C . 50074 1 689 . 1 . 1 70 70 ARG CA C 13 60.337 0.123 . 1 . . . . . 70 ARG CA . 50074 1 690 . 1 . 1 70 70 ARG CB C 13 30.449 0.047 . 1 . . . . . 70 ARG CB . 50074 1 691 . 1 . 1 70 70 ARG CG C 13 26.688 0 . 1 . . . . . 70 ARG CG . 50074 1 692 . 1 . 1 70 70 ARG CD C 13 42.9 0 . 1 . . . . . 70 ARG CD . 50074 1 693 . 1 . 1 70 70 ARG N N 15 132.301 0.111 . 1 . . . . . 70 ARG N . 50074 1 694 . 1 . 1 71 71 GLY HA2 H 1 4.019 0.005 . 1 . . . . . 71 GLY HA2 . 50074 1 695 . 1 . 1 71 71 GLY HA3 H 1 3.672 0.01 . 1 . . . . . 71 GLY HA3 . 50074 1 696 . 1 . 1 71 71 GLY C C 13 177.305 0 . 1 . . . . . 71 GLY C . 50074 1 697 . 1 . 1 71 71 GLY CA C 13 47.758 0.171 . 1 . . . . . 71 GLY CA . 50074 1 698 . 1 . 1 71 71 GLY N N 15 107.102 0.062 . 1 . . . . . 71 GLY N . 50074 1 699 . 1 . 1 72 72 ASN H H 1 11.487 0.01 . 1 . . . . . 72 ASN H . 50074 1 700 . 1 . 1 72 72 ASN HA H 1 4.481 0.009 . 1 . . . . . 72 ASN HA . 50074 1 701 . 1 . 1 72 72 ASN HB2 H 1 2.686 0.002 . 1 . . . . . 72 ASN HB2 . 50074 1 702 . 1 . 1 72 72 ASN HB3 H 1 2.686 0.002 . 1 . . . . . 72 ASN HB3 . 50074 1 703 . 1 . 1 72 72 ASN C C 13 179.501 0.015 . 1 . . . . . 72 ASN C . 50074 1 704 . 1 . 1 72 72 ASN CA C 13 55.348 0.035 . 1 . . . . . 72 ASN CA . 50074 1 705 . 1 . 1 72 72 ASN CB C 13 36.805 0.047 . 1 . . . . . 72 ASN CB . 50074 1 706 . 1 . 1 72 72 ASN N N 15 123.943 0.02 . 1 . . . . . 72 ASN N . 50074 1 707 . 1 . 1 73 73 THR H H 1 8.15 0.007 . 1 . . . . . 73 THR H . 50074 1 708 . 1 . 1 73 73 THR HA H 1 4.046 0.004 . 1 . . . . . 73 THR HA . 50074 1 709 . 1 . 1 73 73 THR HB H 1 3.892 0 . 1 . . . . . 73 THR HB . 50074 1 710 . 1 . 1 73 73 THR HG1 H 1 5.212 0.007 . 1 . . . . . 73 THR HG1 . 50074 1 711 . 1 . 1 73 73 THR HG21 H 1 1.083 0.002 . 1 . . . . . 73 THR HG21 . 50074 1 712 . 1 . 1 73 73 THR HG22 H 1 1.083 0.002 . 1 . . . . . 73 THR HG22 . 50074 1 713 . 1 . 1 73 73 THR HG23 H 1 1.083 0.002 . 1 . . . . . 73 THR HG23 . 50074 1 714 . 1 . 1 73 73 THR CA C 13 67 0.036 . 1 . . . . . 73 THR CA . 50074 1 715 . 1 . 1 73 73 THR CB C 13 68.079 0.054 . 1 . . . . . 73 THR CB . 50074 1 716 . 1 . 1 73 73 THR CG2 C 13 21.171 0 . 1 . . . . . 73 THR CG2 . 50074 1 717 . 1 . 1 73 73 THR N N 15 120.667 0.056 . 1 . . . . . 73 THR N . 50074 1 718 . 1 . 1 74 74 VAL H H 1 8.727 0.013 . 1 . . . . . 74 VAL H . 50074 1 719 . 1 . 1 74 74 VAL HA H 1 3.448 0.005 . 1 . . . . . 74 VAL HA . 50074 1 720 . 1 . 1 74 74 VAL HB H 1 2.048 0.004 . 1 . . . . . 74 VAL HB . 50074 1 721 . 1 . 1 74 74 VAL HG11 H 1 0.651 0.003 . 1 . . . . . 74 VAL HG11 . 50074 1 722 . 1 . 1 74 74 VAL HG12 H 1 0.651 0.003 . 1 . . . . . 74 VAL HG12 . 50074 1 723 . 1 . 1 74 74 VAL HG13 H 1 0.651 0.003 . 1 . . . . . 74 VAL HG13 . 50074 1 724 . 1 . 1 74 74 VAL HG21 H 1 0.309 0.006 . 1 . . . . . 74 VAL HG21 . 50074 1 725 . 1 . 1 74 74 VAL HG22 H 1 0.309 0.006 . 1 . . . . . 74 VAL HG22 . 50074 1 726 . 1 . 1 74 74 VAL HG23 H 1 0.309 0.006 . 1 . . . . . 74 VAL HG23 . 50074 1 727 . 1 . 1 74 74 VAL CA C 13 66.919 0.056 . 1 . . . . . 74 VAL CA . 50074 1 728 . 1 . 1 74 74 VAL CB C 13 30.738 0.085 . 1 . . . . . 74 VAL CB . 50074 1 729 . 1 . 1 74 74 VAL CG1 C 13 20.739 0.449 . 1 . . . . . 74 VAL CG1 . 50074 1 730 . 1 . 1 74 74 VAL CG2 C 13 19.304 0 . 1 . . . . . 74 VAL CG2 . 50074 1 731 . 1 . 1 74 74 VAL N N 15 123.304 0.047 . 1 . . . . . 74 VAL N . 50074 1 732 . 1 . 1 75 75 GLU H H 1 7.697 0.006 . 1 . . . . . 75 GLU H . 50074 1 733 . 1 . 1 75 75 GLU HA H 1 3.939 0.002 . 1 . . . . . 75 GLU HA . 50074 1 734 . 1 . 1 75 75 GLU HB2 H 1 2.057 0 . 1 . . . . . 75 GLU HB2 . 50074 1 735 . 1 . 1 75 75 GLU HB3 H 1 1.937 0 . 1 . . . . . 75 GLU HB3 . 50074 1 736 . 1 . 1 75 75 GLU HG2 H 1 2.323 0.004 . 1 . . . . . 75 GLU HG2 . 50074 1 737 . 1 . 1 75 75 GLU HG3 H 1 2.323 0.004 . 1 . . . . . 75 GLU HG3 . 50074 1 738 . 1 . 1 75 75 GLU C C 13 178.608 0 . 1 . . . . . 75 GLU C . 50074 1 739 . 1 . 1 75 75 GLU CA C 13 59.669 0.048 . 1 . . . . . 75 GLU CA . 50074 1 740 . 1 . 1 75 75 GLU CB C 13 29.297 0.019 . 1 . . . . . 75 GLU CB . 50074 1 741 . 1 . 1 75 75 GLU CG C 13 35.988 0.001 . 1 . . . . . 75 GLU CG . 50074 1 742 . 1 . 1 75 75 GLU N N 15 117.756 0.045 . 1 . . . . . 75 GLU N . 50074 1 743 . 1 . 1 76 76 PHE H H 1 7.709 0.009 . 1 . . . . . 76 PHE H . 50074 1 744 . 1 . 1 76 76 PHE HA H 1 4.442 0.003 . 1 . . . . . 76 PHE HA . 50074 1 745 . 1 . 1 76 76 PHE HB2 H 1 3.46 0.001 . 1 . . . . . 76 PHE HB2 . 50074 1 746 . 1 . 1 76 76 PHE HB3 H 1 3.276 0.001 . 1 . . . . . 76 PHE HB3 . 50074 1 747 . 1 . 1 76 76 PHE C C 13 177.154 0 . 1 . . . . . 76 PHE C . 50074 1 748 . 1 . 1 76 76 PHE CA C 13 60.663 0.066 . 1 . . . . . 76 PHE CA . 50074 1 749 . 1 . 1 76 76 PHE CB C 13 39.491 0.098 . 1 . . . . . 76 PHE CB . 50074 1 750 . 1 . 1 76 76 PHE N N 15 120.766 0.114 . 1 . . . . . 76 PHE N . 50074 1 751 . 1 . 1 77 77 ALA H H 1 8.657 0.172 . 1 . . . . . 77 ALA H . 50074 1 752 . 1 . 1 77 77 ALA HA H 1 3.924 0.004 . 1 . . . . . 77 ALA HA . 50074 1 753 . 1 . 1 77 77 ALA HB1 H 1 1.358 0.039 . 1 . . . . . 77 ALA HB1 . 50074 1 754 . 1 . 1 77 77 ALA HB2 H 1 1.358 0.039 . 1 . . . . . 77 ALA HB2 . 50074 1 755 . 1 . 1 77 77 ALA HB3 H 1 1.358 0.039 . 1 . . . . . 77 ALA HB3 . 50074 1 756 . 1 . 1 77 77 ALA C C 13 181.433 0 . 1 . . . . . 77 ALA C . 50074 1 757 . 1 . 1 77 77 ALA CA C 13 55.297 0.042 . 1 . . . . . 77 ALA CA . 50074 1 758 . 1 . 1 77 77 ALA CB C 13 16.945 0.022 . 1 . . . . . 77 ALA CB . 50074 1 759 . 1 . 1 77 77 ALA N N 15 122.425 0.039 . 1 . . . . . 77 ALA N . 50074 1 760 . 1 . 1 78 78 LYS H H 1 8.611 0.006 . 1 . . . . . 78 LYS H . 50074 1 761 . 1 . 1 78 78 LYS HA H 1 4.05 0.002 . 1 . . . . . 78 LYS HA . 50074 1 762 . 1 . 1 78 78 LYS HG3 H 1 1.441 0 . 1 . . . . . 78 LYS HG3 . 50074 1 763 . 1 . 1 78 78 LYS HD2 H 1 1.847 0 . 1 . . . . . 78 LYS HD2 . 50074 1 764 . 1 . 1 78 78 LYS C C 13 178.971 1.716 . 1 . . . . . 78 LYS C . 50074 1 765 . 1 . 1 78 78 LYS CA C 13 59.619 0.103 . 1 . . . . . 78 LYS CA . 50074 1 766 . 1 . 1 78 78 LYS CB C 13 31.486 0.237 . 1 . . . . . 78 LYS CB . 50074 1 767 . 1 . 1 78 78 LYS CG C 13 25.225 0 . 1 . . . . . 78 LYS CG . 50074 1 768 . 1 . 1 78 78 LYS CD C 13 28.976 0 . 1 . . . . . 78 LYS CD . 50074 1 769 . 1 . 1 78 78 LYS CE C 13 41.627 0 . 1 . . . . . 78 LYS CE . 50074 1 770 . 1 . 1 78 78 LYS N N 15 119.167 0.056 . 1 . . . . . 78 LYS N . 50074 1 771 . 1 . 1 79 79 GLN H H 1 7.98 0.013 . 1 . . . . . 79 GLN H . 50074 1 772 . 1 . 1 79 79 GLN HA H 1 3.865 0.003 . 1 . . . . . 79 GLN HA . 50074 1 773 . 1 . 1 79 79 GLN HB2 H 1 2.025 0.003 . 1 . . . . . 79 GLN HB2 . 50074 1 774 . 1 . 1 79 79 GLN HB3 H 1 1.733 0.002 . 1 . . . . . 79 GLN HB3 . 50074 1 775 . 1 . 1 79 79 GLN HG2 H 1 2.266 0.002 . 1 . . . . . 79 GLN HG2 . 50074 1 776 . 1 . 1 79 79 GLN HG3 H 1 2.159 0.001 . 1 . . . . . 79 GLN HG3 . 50074 1 777 . 1 . 1 79 79 GLN C C 13 176.489 0.006 . 1 . . . . . 79 GLN C . 50074 1 778 . 1 . 1 79 79 GLN CA C 13 57.95 0.169 . 1 . . . . . 79 GLN CA . 50074 1 779 . 1 . 1 79 79 GLN CB C 13 27.682 0.095 . 1 . . . . . 79 GLN CB . 50074 1 780 . 1 . 1 79 79 GLN CG C 13 33.677 0.049 . 1 . . . . . 79 GLN CG . 50074 1 781 . 1 . 1 79 79 GLN N N 15 120.527 1.129 . 1 . . . . . 79 GLN N . 50074 1 782 . 1 . 1 80 80 HIS H H 1 7.059 0.01 . 1 . . . . . 80 HIS H . 50074 1 783 . 1 . 1 80 80 HIS HA H 1 4.542 0.005 . 1 . . . . . 80 HIS HA . 50074 1 784 . 1 . 1 80 80 HIS HB2 H 1 3.374 0.001 . 1 . . . . . 80 HIS HB2 . 50074 1 785 . 1 . 1 80 80 HIS HB3 H 1 2.349 0.004 . 1 . . . . . 80 HIS HB3 . 50074 1 786 . 1 . 1 80 80 HIS C C 13 173.751 0.005 . 1 . . . . . 80 HIS C . 50074 1 787 . 1 . 1 80 80 HIS CA C 13 56.287 0.058 . 1 . . . . . 80 HIS CA . 50074 1 788 . 1 . 1 80 80 HIS CB C 13 29.801 0.051 . 1 . . . . . 80 HIS CB . 50074 1 789 . 1 . 1 80 80 HIS N N 15 115.3 0.072 . 1 . . . . . 80 HIS N . 50074 1 790 . 1 . 1 81 81 GLY H H 1 7.29 0.01 . 1 . . . . . 81 GLY H . 50074 1 791 . 1 . 1 81 81 GLY HA2 H 1 4.154 0.004 . 2 . . . . . 81 GLY HA2 . 50074 1 792 . 1 . 1 81 81 GLY HA3 H 1 3.581 0.002 . 2 . . . . . 81 GLY HA3 . 50074 1 793 . 1 . 1 81 81 GLY C C 13 174.987 0.011 . 1 . . . . . 81 GLY C . 50074 1 794 . 1 . 1 81 81 GLY CA C 13 45.221 0.186 . 1 . . . . . 81 GLY CA . 50074 1 795 . 1 . 1 81 81 GLY N N 15 104.005 0.085 . 1 . . . . . 81 GLY N . 50074 1 796 . 1 . 1 82 82 SER H H 1 7.727 0.007 . 1 . . . . . 82 SER H . 50074 1 797 . 1 . 1 82 82 SER HA H 1 4.094 0.005 . 1 . . . . . 82 SER HA . 50074 1 798 . 1 . 1 82 82 SER HB2 H 1 3.448 0.005 . 1 . . . . . 82 SER HB2 . 50074 1 799 . 1 . 1 82 82 SER HB3 H 1 3.157 0.002 . 1 . . . . . 82 SER HB3 . 50074 1 800 . 1 . 1 82 82 SER HG H 1 5.487 0.044 . 1 . . . . . 82 SER HG . 50074 1 801 . 1 . 1 82 82 SER C C 13 174.64 0.007 . 1 . . . . . 82 SER C . 50074 1 802 . 1 . 1 82 82 SER CA C 13 59.422 0.141 . 1 . . . . . 82 SER CA . 50074 1 803 . 1 . 1 82 82 SER CB C 13 64.818 0.151 . 1 . . . . . 82 SER CB . 50074 1 804 . 1 . 1 82 82 SER N N 15 115.906 0.062 . 1 . . . . . 82 SER N . 50074 1 805 . 1 . 1 83 83 ASP H H 1 7.986 0.011 . 1 . . . . . 83 ASP H . 50074 1 806 . 1 . 1 83 83 ASP HA H 1 4.815 0.021 . 1 . . . . . 83 ASP HA . 50074 1 807 . 1 . 1 83 83 ASP HB2 H 1 3.095 0.006 . 1 . . . . . 83 ASP HB2 . 50074 1 808 . 1 . 1 83 83 ASP HB3 H 1 2.747 0.007 . 1 . . . . . 83 ASP HB3 . 50074 1 809 . 1 . 1 83 83 ASP C C 13 177.246 0.026 . 1 . . . . . 83 ASP C . 50074 1 810 . 1 . 1 83 83 ASP CA C 13 52.545 0.131 . 1 . . . . . 83 ASP CA . 50074 1 811 . 1 . 1 83 83 ASP CB C 13 41.244 0.163 . 1 . . . . . 83 ASP CB . 50074 1 812 . 1 . 1 83 83 ASP N N 15 122.766 0.046 . 1 . . . . . 83 ASP N . 50074 1 813 . 1 . 1 84 84 ASP H H 1 8.516 0.016 . 1 . . . . . 84 ASP H . 50074 1 814 . 1 . 1 84 84 ASP HA H 1 4.174 0.01 . 1 . . . . . 84 ASP HA . 50074 1 815 . 1 . 1 84 84 ASP HB2 H 1 2.618 0.007 . 1 . . . . . 84 ASP HB2 . 50074 1 816 . 1 . 1 84 84 ASP HB3 H 1 2.582 0.015 . 1 . . . . . 84 ASP HB3 . 50074 1 817 . 1 . 1 84 84 ASP C C 13 178.134 1.393 . 1 . . . . . 84 ASP C . 50074 1 818 . 1 . 1 84 84 ASP CA C 13 58.717 0.442 . 1 . . . . . 84 ASP CA . 50074 1 819 . 1 . 1 84 84 ASP CB C 13 41.58 0.111 . 1 . . . . . 84 ASP CB . 50074 1 820 . 1 . 1 84 84 ASP N N 15 120.558 0.082 . 1 . . . . . 84 ASP N . 50074 1 821 . 1 . 1 85 85 ALA H H 1 8.021 0.008 . 1 . . . . . 85 ALA H . 50074 1 822 . 1 . 1 85 85 ALA HA H 1 4.114 0.001 . 1 . . . . . 85 ALA HA . 50074 1 823 . 1 . 1 85 85 ALA HB1 H 1 1.44 0.003 . 1 . . . . . 85 ALA HB1 . 50074 1 824 . 1 . 1 85 85 ALA HB2 H 1 1.44 0.003 . 1 . . . . . 85 ALA HB2 . 50074 1 825 . 1 . 1 85 85 ALA HB3 H 1 1.44 0.003 . 1 . . . . . 85 ALA HB3 . 50074 1 826 . 1 . 1 85 85 ALA C C 13 181.078 0.004 . 1 . . . . . 85 ALA C . 50074 1 827 . 1 . 1 85 85 ALA CA C 13 55.345 0.026 . 1 . . . . . 85 ALA CA . 50074 1 828 . 1 . 1 85 85 ALA CB C 13 17.849 0.016 . 1 . . . . . 85 ALA CB . 50074 1 829 . 1 . 1 85 85 ALA N N 15 120.68 0.046 . 1 . . . . . 85 ALA N . 50074 1 830 . 1 . 1 86 86 MET H H 1 8.581 0.009 . 1 . . . . . 86 MET H . 50074 1 831 . 1 . 1 86 86 MET HA H 1 4.052 0.003 . 1 . . . . . 86 MET HA . 50074 1 832 . 1 . 1 86 86 MET HB2 H 1 2.04 0 . 1 . . . . . 86 MET HB2 . 50074 1 833 . 1 . 1 86 86 MET HB3 H 1 1.941 0 . 1 . . . . . 86 MET HB3 . 50074 1 834 . 1 . 1 86 86 MET HG2 H 1 2.76 0 . 1 . . . . . 86 MET HG2 . 50074 1 835 . 1 . 1 86 86 MET HG3 H 1 2.76 0 . 1 . . . . . 86 MET HG3 . 50074 1 836 . 1 . 1 86 86 MET HE1 H 1 1.043 0 . 1 . . . . . 86 MET HE1 . 50074 1 837 . 1 . 1 86 86 MET HE2 H 1 1.043 0 . 1 . . . . . 86 MET HE2 . 50074 1 838 . 1 . 1 86 86 MET HE3 H 1 1.043 0 . 1 . . . . . 86 MET HE3 . 50074 1 839 . 1 . 1 86 86 MET C C 13 177.136 0.028 . 1 . . . . . 86 MET C . 50074 1 840 . 1 . 1 86 86 MET CA C 13 59.328 0.045 . 1 . . . . . 86 MET CA . 50074 1 841 . 1 . 1 86 86 MET CB C 13 31.271 0.044 . 1 . . . . . 86 MET CB . 50074 1 842 . 1 . 1 86 86 MET CG C 13 33.014 0 . 1 . . . . . 86 MET CG . 50074 1 843 . 1 . 1 86 86 MET N N 15 119.929 0.038 . 1 . . . . . 86 MET N . 50074 1 844 . 1 . 1 87 87 ALA H H 1 7.468 0.008 . 1 . . . . . 87 ALA H . 50074 1 845 . 1 . 1 87 87 ALA HA H 1 3.678 0.005 . 1 . . . . . 87 ALA HA . 50074 1 846 . 1 . 1 87 87 ALA HB1 H 1 1.426 0.005 . 1 . . . . . 87 ALA HB1 . 50074 1 847 . 1 . 1 87 87 ALA HB2 H 1 1.426 0.005 . 1 . . . . . 87 ALA HB2 . 50074 1 848 . 1 . 1 87 87 ALA HB3 H 1 1.426 0.005 . 1 . . . . . 87 ALA HB3 . 50074 1 849 . 1 . 1 87 87 ALA C C 13 178.747 0.009 . 1 . . . . . 87 ALA C . 50074 1 850 . 1 . 1 87 87 ALA CA C 13 55.681 0.084 . 1 . . . . . 87 ALA CA . 50074 1 851 . 1 . 1 87 87 ALA CB C 13 20.052 0.145 . 1 . . . . . 87 ALA CB . 50074 1 852 . 1 . 1 87 87 ALA N N 15 120.068 0.03 . 1 . . . . . 87 ALA N . 50074 1 853 . 1 . 1 88 88 HIS H H 1 8.044 0.007 . 1 . . . . . 88 HIS H . 50074 1 854 . 1 . 1 88 88 HIS HA H 1 3.877 0.007 . 1 . . . . . 88 HIS HA . 50074 1 855 . 1 . 1 88 88 HIS HB2 H 1 3.135 0.009 . 1 . . . . . 88 HIS HB2 . 50074 1 856 . 1 . 1 88 88 HIS HB3 H 1 2.979 0.001 . 1 . . . . . 88 HIS HB3 . 50074 1 857 . 1 . 1 88 88 HIS C C 13 178.174 0.018 . 1 . . . . . 88 HIS C . 50074 1 858 . 1 . 1 88 88 HIS CA C 13 60.677 0.051 . 1 . . . . . 88 HIS CA . 50074 1 859 . 1 . 1 88 88 HIS CB C 13 30.979 0.19 . 1 . . . . . 88 HIS CB . 50074 1 860 . 1 . 1 88 88 HIS N N 15 113.454 0.089 . 1 . . . . . 88 HIS N . 50074 1 861 . 1 . 1 89 89 GLN H H 1 8.037 0.007 . 1 . . . . . 89 GLN H . 50074 1 862 . 1 . 1 89 89 GLN HA H 1 4.212 0.003 . 1 . . . . . 89 GLN HA . 50074 1 863 . 1 . 1 89 89 GLN HB2 H 1 2.551 0.004 . 1 . . . . . 89 GLN HB2 . 50074 1 864 . 1 . 1 89 89 GLN HB3 H 1 2.378 0.005 . 1 . . . . . 89 GLN HB3 . 50074 1 865 . 1 . 1 89 89 GLN C C 13 178.513 0.004 . 1 . . . . . 89 GLN C . 50074 1 866 . 1 . 1 89 89 GLN CA C 13 59.302 0.034 . 1 . . . . . 89 GLN CA . 50074 1 867 . 1 . 1 89 89 GLN CB C 13 28.111 0.105 . 1 . . . . . 89 GLN CB . 50074 1 868 . 1 . 1 89 89 GLN CG C 13 33.569 0.016 . 1 . . . . . 89 GLN CG . 50074 1 869 . 1 . 1 89 89 GLN N N 15 121.14 0.038 . 1 . . . . . 89 GLN N . 50074 1 870 . 1 . 1 90 90 LEU H H 1 8.38 0.008 . 1 . . . . . 90 LEU H . 50074 1 871 . 1 . 1 90 90 LEU HA H 1 4.111 0.003 . 1 . . . . . 90 LEU HA . 50074 1 872 . 1 . 1 90 90 LEU HB2 H 1 2.22 0.008 . 1 . . . . . 90 LEU HB2 . 50074 1 873 . 1 . 1 90 90 LEU HB3 H 1 2.22 0.008 . 1 . . . . . 90 LEU HB3 . 50074 1 874 . 1 . 1 90 90 LEU HG H 1 1.411 0.006 . 1 . . . . . 90 LEU HG . 50074 1 875 . 1 . 1 90 90 LEU HD11 H 1 0.891 0.004 . 2 . . . . . 90 LEU HD11 . 50074 1 876 . 1 . 1 90 90 LEU HD12 H 1 0.891 0.004 . 2 . . . . . 90 LEU HD12 . 50074 1 877 . 1 . 1 90 90 LEU HD13 H 1 0.891 0.004 . 2 . . . . . 90 LEU HD13 . 50074 1 878 . 1 . 1 90 90 LEU HD21 H 1 1.09 0.001 . 2 . . . . . 90 LEU HD21 . 50074 1 879 . 1 . 1 90 90 LEU HD22 H 1 1.09 0.001 . 2 . . . . . 90 LEU HD22 . 50074 1 880 . 1 . 1 90 90 LEU HD23 H 1 1.09 0.001 . 2 . . . . . 90 LEU HD23 . 50074 1 881 . 1 . 1 90 90 LEU C C 13 178.822 0 . 1 . . . . . 90 LEU C . 50074 1 882 . 1 . 1 90 90 LEU CA C 13 59.179 0.171 . 1 . . . . . 90 LEU CA . 50074 1 883 . 1 . 1 90 90 LEU CB C 13 42.224 0.051 . 1 . . . . . 90 LEU CB . 50074 1 884 . 1 . 1 90 90 LEU CG C 13 26.652 0 . 1 . . . . . 90 LEU CG . 50074 1 885 . 1 . 1 90 90 LEU CD1 C 13 24.366 0 . 1 . . . . . 90 LEU CD1 . 50074 1 886 . 1 . 1 90 90 LEU N N 15 118.187 0.071 . 1 . . . . . 90 LEU N . 50074 1 887 . 1 . 1 91 91 VAL H H 1 7.155 0.015 . 1 . . . . . 91 VAL H . 50074 1 888 . 1 . 1 91 91 VAL HA H 1 3.197 0.004 . 1 . . . . . 91 VAL HA . 50074 1 889 . 1 . 1 91 91 VAL HB H 1 2.051 0.008 . 1 . . . . . 91 VAL HB . 50074 1 890 . 1 . 1 91 91 VAL HG11 H 1 0.985 0.007 . 2 . . . . . 91 VAL HG11 . 50074 1 891 . 1 . 1 91 91 VAL HG12 H 1 0.985 0.007 . 2 . . . . . 91 VAL HG12 . 50074 1 892 . 1 . 1 91 91 VAL HG13 H 1 0.985 0.007 . 2 . . . . . 91 VAL HG13 . 50074 1 893 . 1 . 1 91 91 VAL HG21 H 1 0.33 0.006 . 2 . . . . . 91 VAL HG21 . 50074 1 894 . 1 . 1 91 91 VAL HG22 H 1 0.33 0.006 . 2 . . . . . 91 VAL HG22 . 50074 1 895 . 1 . 1 91 91 VAL HG23 H 1 0.33 0.006 . 2 . . . . . 91 VAL HG23 . 50074 1 896 . 1 . 1 91 91 VAL CA C 13 66.319 0.071 . 1 . . . . . 91 VAL CA . 50074 1 897 . 1 . 1 91 91 VAL CB C 13 30.962 0.173 . 1 . . . . . 91 VAL CB . 50074 1 898 . 1 . 1 91 91 VAL CG1 C 13 21.712 0.92 . 1 . . . . . 91 VAL CG1 . 50074 1 899 . 1 . 1 91 91 VAL CG2 C 13 20.678 0 . 1 . . . . . 91 VAL CG2 . 50074 1 900 . 1 . 1 91 91 VAL N N 15 120.766 0 . 1 . . . . . 91 VAL N . 50074 1 901 . 1 . 1 92 92 ASP H H 1 8.509 0.015 . 1 . . . . . 92 ASP H . 50074 1 902 . 1 . 1 92 92 ASP HA H 1 4.205 0.006 . 1 . . . . . 92 ASP HA . 50074 1 903 . 1 . 1 92 92 ASP HB2 H 1 3.066 0.045 . 1 . . . . . 92 ASP HB2 . 50074 1 904 . 1 . 1 92 92 ASP HB3 H 1 2.659 0.006 . 1 . . . . . 92 ASP HB3 . 50074 1 905 . 1 . 1 92 92 ASP C C 13 180.097 0.008 . 1 . . . . . 92 ASP C . 50074 1 906 . 1 . 1 92 92 ASP CA C 13 57.959 0.076 . 1 . . . . . 92 ASP CA . 50074 1 907 . 1 . 1 92 92 ASP CB C 13 39.775 0.064 . 1 . . . . . 92 ASP CB . 50074 1 908 . 1 . 1 92 92 ASP N N 15 120.76 0.037 . 1 . . . . . 92 ASP N . 50074 1 909 . 1 . 1 93 93 ILE H H 1 8.384 0.011 . 1 . . . . . 93 ILE H . 50074 1 910 . 1 . 1 93 93 ILE HA H 1 3.772 0.006 . 1 . . . . . 93 ILE HA . 50074 1 911 . 1 . 1 93 93 ILE HB H 1 2.214 0.002 . 1 . . . . . 93 ILE HB . 50074 1 912 . 1 . 1 93 93 ILE HG21 H 1 1.019 0.011 . 1 . . . . . 93 ILE HG21 . 50074 1 913 . 1 . 1 93 93 ILE HG22 H 1 1.019 0.011 . 1 . . . . . 93 ILE HG22 . 50074 1 914 . 1 . 1 93 93 ILE HG23 H 1 1.019 0.011 . 1 . . . . . 93 ILE HG23 . 50074 1 915 . 1 . 1 93 93 ILE HD11 H 1 0.701 0.007 . 1 . . . . . 93 ILE HD11 . 50074 1 916 . 1 . 1 93 93 ILE HD12 H 1 0.701 0.007 . 1 . . . . . 93 ILE HD12 . 50074 1 917 . 1 . 1 93 93 ILE HD13 H 1 0.701 0.007 . 1 . . . . . 93 ILE HD13 . 50074 1 918 . 1 . 1 93 93 ILE C C 13 175.486 0 . 1 . . . . . 93 ILE C . 50074 1 919 . 1 . 1 93 93 ILE CA C 13 65.514 0.087 . 1 . . . . . 93 ILE CA . 50074 1 920 . 1 . 1 93 93 ILE CB C 13 38.804 0.106 . 1 . . . . . 93 ILE CB . 50074 1 921 . 1 . 1 93 93 ILE CG1 C 13 28.971 0 . 1 . . . . . 93 ILE CG1 . 50074 1 922 . 1 . 1 93 93 ILE CG2 C 13 18.72 0 . 1 . . . . . 93 ILE CG2 . 50074 1 923 . 1 . 1 93 93 ILE CD1 C 13 14.641 0.09 . 1 . . . . . 93 ILE CD1 . 50074 1 924 . 1 . 1 93 93 ILE N N 15 121.202 0.047 . 1 . . . . . 93 ILE N . 50074 1 925 . 1 . 1 94 94 VAL H H 1 7.923 0.009 . 1 . . . . . 94 VAL H . 50074 1 926 . 1 . 1 94 94 VAL HA H 1 3.292 0.002 . 1 . . . . . 94 VAL HA . 50074 1 927 . 1 . 1 94 94 VAL HB H 1 2.007 0.007 . 1 . . . . . 94 VAL HB . 50074 1 928 . 1 . 1 94 94 VAL HG11 H 1 0.902 0.003 . 2 . . . . . 94 VAL HG11 . 50074 1 929 . 1 . 1 94 94 VAL HG12 H 1 0.902 0.003 . 2 . . . . . 94 VAL HG12 . 50074 1 930 . 1 . 1 94 94 VAL HG13 H 1 0.902 0.003 . 2 . . . . . 94 VAL HG13 . 50074 1 931 . 1 . 1 94 94 VAL HG21 H 1 0.798 0.002 . 2 . . . . . 94 VAL HG21 . 50074 1 932 . 1 . 1 94 94 VAL HG22 H 1 0.798 0.002 . 2 . . . . . 94 VAL HG22 . 50074 1 933 . 1 . 1 94 94 VAL HG23 H 1 0.798 0.002 . 2 . . . . . 94 VAL HG23 . 50074 1 934 . 1 . 1 94 94 VAL CA C 13 68.56 0.057 . 1 . . . . . 94 VAL CA . 50074 1 935 . 1 . 1 94 94 VAL CB C 13 30.907 0.051 . 1 . . . . . 94 VAL CB . 50074 1 936 . 1 . 1 94 94 VAL CG1 C 13 23.221 0.638 . 1 . . . . . 94 VAL CG1 . 50074 1 937 . 1 . 1 94 94 VAL N N 15 120.717 0.04 . 1 . . . . . 94 VAL N . 50074 1 938 . 1 . 1 95 95 HIS H H 1 9.233 0.014 . 1 . . . . . 95 HIS H . 50074 1 939 . 1 . 1 95 95 HIS HA H 1 4.564 0.007 . 1 . . . . . 95 HIS HA . 50074 1 940 . 1 . 1 95 95 HIS HB2 H 1 3.215 0.006 . 1 . . . . . 95 HIS HB2 . 50074 1 941 . 1 . 1 95 95 HIS HB3 H 1 3.136 0.008 . 1 . . . . . 95 HIS HB3 . 50074 1 942 . 1 . 1 95 95 HIS C C 13 178.106 0.011 . 1 . . . . . 95 HIS C . 50074 1 943 . 1 . 1 95 95 HIS CA C 13 57.676 0.054 . 1 . . . . . 95 HIS CA . 50074 1 944 . 1 . 1 95 95 HIS CB C 13 29.791 0.039 . 1 . . . . . 95 HIS CB . 50074 1 945 . 1 . 1 95 95 HIS N N 15 118.137 0.077 . 1 . . . . . 95 HIS N . 50074 1 946 . 1 . 1 96 96 ALA H H 1 8.24 0.008 . 1 . . . . . 96 ALA H . 50074 1 947 . 1 . 1 96 96 ALA HA H 1 4.193 0.013 . 1 . . . . . 96 ALA HA . 50074 1 948 . 1 . 1 96 96 ALA HB1 H 1 1.536 0.008 . 1 . . . . . 96 ALA HB1 . 50074 1 949 . 1 . 1 96 96 ALA HB2 H 1 1.536 0.008 . 1 . . . . . 96 ALA HB2 . 50074 1 950 . 1 . 1 96 96 ALA HB3 H 1 1.536 0.008 . 1 . . . . . 96 ALA HB3 . 50074 1 951 . 1 . 1 96 96 ALA C C 13 181.877 0.003 . 1 . . . . . 96 ALA C . 50074 1 952 . 1 . 1 96 96 ALA CA C 13 55.376 0.136 . 1 . . . . . 96 ALA CA . 50074 1 953 . 1 . 1 96 96 ALA CB C 13 17.55 0.08 . 1 . . . . . 96 ALA CB . 50074 1 954 . 1 . 1 96 96 ALA N N 15 122.289 0.075 . 1 . . . . . 96 ALA N . 50074 1 955 . 1 . 1 97 97 CYS H H 1 8.49 0.009 . 1 . . . . . 97 CYS H . 50074 1 956 . 1 . 1 97 97 CYS HA H 1 4.647 0.008 . 1 . . . . . 97 CYS HA . 50074 1 957 . 1 . 1 97 97 CYS HB2 H 1 3.584 0.006 . 1 . . . . . 97 CYS HB2 . 50074 1 958 . 1 . 1 97 97 CYS HB3 H 1 2.913 0.005 . 1 . . . . . 97 CYS HB3 . 50074 1 959 . 1 . 1 97 97 CYS C C 13 176.485 0.005 . 1 . . . . . 97 CYS C . 50074 1 960 . 1 . 1 97 97 CYS CA C 13 57.873 0.087 . 1 . . . . . 97 CYS CA . 50074 1 961 . 1 . 1 97 97 CYS CB C 13 39.818 0.027 . 1 . . . . . 97 CYS CB . 50074 1 962 . 1 . 1 97 97 CYS N N 15 120.441 0.084 . 1 . . . . . 97 CYS N . 50074 1 963 . 1 . 1 98 98 GLU H H 1 8.932 0.009 . 1 . . . . . 98 GLU H . 50074 1 964 . 1 . 1 98 98 GLU HA H 1 3.733 0.008 . 1 . . . . . 98 GLU HA . 50074 1 965 . 1 . 1 98 98 GLU HB2 H 1 2.428 0 . 1 . . . . . 98 GLU HB2 . 50074 1 966 . 1 . 1 98 98 GLU HB3 H 1 1.967 0 . 1 . . . . . 98 GLU HB3 . 50074 1 967 . 1 . 1 98 98 GLU HG2 H 1 2.603 0.002 . 1 . . . . . 98 GLU HG2 . 50074 1 968 . 1 . 1 98 98 GLU HG3 H 1 2.436 0.004 . 1 . . . . . 98 GLU HG3 . 50074 1 969 . 1 . 1 98 98 GLU C C 13 177.99 0.011 . 1 . . . . . 98 GLU C . 50074 1 970 . 1 . 1 98 98 GLU CA C 13 59.477 0.071 . 1 . . . . . 98 GLU CA . 50074 1 971 . 1 . 1 98 98 GLU CB C 13 29.577 0.065 . 1 . . . . . 98 GLU CB . 50074 1 972 . 1 . 1 98 98 GLU CG C 13 36.499 0 . 1 . . . . . 98 GLU CG . 50074 1 973 . 1 . 1 98 98 GLU N N 15 120.288 0.08 . 1 . . . . . 98 GLU N . 50074 1 974 . 1 . 1 99 99 LYS H H 1 7.132 0.009 . 1 . . . . . 99 LYS H . 50074 1 975 . 1 . 1 99 99 LYS HA H 1 4.276 0.005 . 1 . . . . . 99 LYS HA . 50074 1 976 . 1 . 1 99 99 LYS HB2 H 1 1.874 0.04 . 1 . . . . . 99 LYS HB2 . 50074 1 977 . 1 . 1 99 99 LYS HB3 H 1 1.777 0.027 . 1 . . . . . 99 LYS HB3 . 50074 1 978 . 1 . 1 99 99 LYS HG2 H 1 1.418 0.004 . 1 . . . . . 99 LYS HG2 . 50074 1 979 . 1 . 1 99 99 LYS HG3 H 1 1.377 0.008 . 1 . . . . . 99 LYS HG3 . 50074 1 980 . 1 . 1 99 99 LYS HD2 H 1 1.709 0.03 . 1 . . . . . 99 LYS HD2 . 50074 1 981 . 1 . 1 99 99 LYS HD3 H 1 1.616 0.003 . 1 . . . . . 99 LYS HD3 . 50074 1 982 . 1 . 1 99 99 LYS HE2 H 1 2.81 0 . 1 . . . . . 99 LYS HE2 . 50074 1 983 . 1 . 1 99 99 LYS HE3 H 1 2.712 0 . 1 . . . . . 99 LYS HE3 . 50074 1 984 . 1 . 1 99 99 LYS C C 13 177.273 0.008 . 1 . . . . . 99 LYS C . 50074 1 985 . 1 . 1 99 99 LYS CA C 13 56.369 0.258 . 1 . . . . . 99 LYS CA . 50074 1 986 . 1 . 1 99 99 LYS CB C 13 33.073 0.041 . 1 . . . . . 99 LYS CB . 50074 1 987 . 1 . 1 99 99 LYS CG C 13 24.811 0 . 1 . . . . . 99 LYS CG . 50074 1 988 . 1 . 1 99 99 LYS CD C 13 28.602 0 . 1 . . . . . 99 LYS CD . 50074 1 989 . 1 . 1 99 99 LYS CE C 13 42.197 0 . 1 . . . . . 99 LYS CE . 50074 1 990 . 1 . 1 99 99 LYS N N 15 113.815 0.08 . 1 . . . . . 99 LYS N . 50074 1 991 . 1 . 1 100 100 SER H H 1 7.916 0.01 . 1 . . . . . 100 SER H . 50074 1 992 . 1 . 1 100 100 SER HA H 1 4.423 0.007 . 1 . . . . . 100 SER HA . 50074 1 993 . 1 . 1 100 100 SER HB2 H 1 3.941 0.005 . 1 . . . . . 100 SER HB2 . 50074 1 994 . 1 . 1 100 100 SER HB3 H 1 3.792 0.007 . 1 . . . . . 100 SER HB3 . 50074 1 995 . 1 . 1 100 100 SER C C 13 174.886 0.022 . 1 . . . . . 100 SER C . 50074 1 996 . 1 . 1 100 100 SER CA C 13 59.308 0.067 . 1 . . . . . 100 SER CA . 50074 1 997 . 1 . 1 100 100 SER CB C 13 64.216 0.123 . 1 . . . . . 100 SER CB . 50074 1 998 . 1 . 1 100 100 SER N N 15 114.552 0.072 . 1 . . . . . 100 SER N . 50074 1 999 . 1 . 1 101 101 VAL H H 1 7.559 0.014 . 1 . . . . . 101 VAL H . 50074 1 1000 . 1 . 1 101 101 VAL HA H 1 4.292 0.004 . 1 . . . . . 101 VAL HA . 50074 1 1001 . 1 . 1 101 101 VAL HB H 1 2.014 0.01 . 1 . . . . . 101 VAL HB . 50074 1 1002 . 1 . 1 101 101 VAL HG11 H 1 0.963 0.004 . 2 . . . . . 101 VAL HG11 . 50074 1 1003 . 1 . 1 101 101 VAL HG12 H 1 0.963 0.004 . 2 . . . . . 101 VAL HG12 . 50074 1 1004 . 1 . 1 101 101 VAL HG13 H 1 0.963 0.004 . 2 . . . . . 101 VAL HG13 . 50074 1 1005 . 1 . 1 101 101 VAL HG21 H 1 0.897 0.009 . 2 . . . . . 101 VAL HG21 . 50074 1 1006 . 1 . 1 101 101 VAL HG22 H 1 0.897 0.009 . 2 . . . . . 101 VAL HG22 . 50074 1 1007 . 1 . 1 101 101 VAL HG23 H 1 0.897 0.009 . 2 . . . . . 101 VAL HG23 . 50074 1 1008 . 1 . 1 101 101 VAL CA C 13 60.282 0.06 . 1 . . . . . 101 VAL CA . 50074 1 1009 . 1 . 1 101 101 VAL CB C 13 31.716 0.236 . 1 . . . . . 101 VAL CB . 50074 1 1010 . 1 . 1 101 101 VAL CG1 C 13 21.226 0 . 1 . . . . . 101 VAL CG1 . 50074 1 1011 . 1 . 1 101 101 VAL N N 15 124.015 0.121 . 1 . . . . . 101 VAL N . 50074 1 1012 . 1 . 1 102 102 PRO HA H 1 4.543 0.002 . 1 . . . . . 102 PRO HA . 50074 1 1013 . 1 . 1 102 102 PRO HB2 H 1 2.27 0.002 . 2 . . . . . 102 PRO HB2 . 50074 1 1014 . 1 . 1 102 102 PRO HB3 H 1 2.042 0 . 2 . . . . . 102 PRO HB3 . 50074 1 1015 . 1 . 1 102 102 PRO HG2 H 1 1.935 0 . 2 . . . . . 102 PRO HG2 . 50074 1 1016 . 1 . 1 102 102 PRO HG3 H 1 1.766 0.002 . 2 . . . . . 102 PRO HG3 . 50074 1 1017 . 1 . 1 102 102 PRO HD2 H 1 3.897 0.009 . 2 . . . . . 102 PRO HD2 . 50074 1 1018 . 1 . 1 102 102 PRO HD3 H 1 3.555 0.003 . 2 . . . . . 102 PRO HD3 . 50074 1 1019 . 1 . 1 103 103 PRO HA H 1 4.236 0.001 . 1 . . . . . 103 PRO HA . 50074 1 1020 . 1 . 1 103 103 PRO HB2 H 1 2.19 0.004 . 2 . . . . . 103 PRO HB2 . 50074 1 1021 . 1 . 1 103 103 PRO HB3 H 1 1.958 0.007 . 2 . . . . . 103 PRO HB3 . 50074 1 1022 . 1 . 1 103 103 PRO HD2 H 1 3.765 0.003 . 2 . . . . . 103 PRO HD2 . 50074 1 1023 . 1 . 1 103 103 PRO HD3 H 1 3.553 0.007 . 2 . . . . . 103 PRO HD3 . 50074 1 1024 . 1 . 1 103 103 PRO CA C 13 63.289 0.026 . 1 . . . . . 103 PRO CA . 50074 1 1025 . 1 . 1 103 103 PRO CB C 13 32.052 0.023 . 1 . . . . . 103 PRO CB . 50074 1 1026 . 1 . 1 103 103 PRO CG C 13 27.429 0.143 . 1 . . . . . 103 PRO CG . 50074 1 1027 . 1 . 1 103 103 PRO CD C 13 50.477 0.09 . 1 . . . . . 103 PRO CD . 50074 1 1028 . 1 . 1 104 104 ASN H H 1 7.87 0.009 . 1 . . . . . 104 ASN H . 50074 1 1029 . 1 . 1 104 104 ASN HA H 1 4.602 0.007 . 1 . . . . . 104 ASN HA . 50074 1 1030 . 1 . 1 104 104 ASN HB2 H 1 2.538 0.006 . 1 . . . . . 104 ASN HB2 . 50074 1 1031 . 1 . 1 104 104 ASN HB3 H 1 2.438 0.006 . 1 . . . . . 104 ASN HB3 . 50074 1 1032 . 1 . 1 104 104 ASN C C 13 174.268 0 . 1 . . . . . 104 ASN C . 50074 1 1033 . 1 . 1 104 104 ASN CA C 13 52.87 0.113 . 1 . . . . . 104 ASN CA . 50074 1 1034 . 1 . 1 104 104 ASN CB C 13 42.6 0.086 . 1 . . . . . 104 ASN CB . 50074 1 1035 . 1 . 1 104 104 ASN N N 15 122.117 0.072 . 1 . . . . . 104 ASN N . 50074 1 1036 . 1 . 1 105 105 GLU H H 1 8.731 0.008 . 1 . . . . . 105 GLU H . 50074 1 1037 . 1 . 1 105 105 GLU HA H 1 4.015 0.005 . 1 . . . . . 105 GLU HA . 50074 1 1038 . 1 . 1 105 105 GLU HB2 H 1 2.018 0.006 . 1 . . . . . 105 GLU HB2 . 50074 1 1039 . 1 . 1 105 105 GLU HB3 H 1 1.908 0.005 . 1 . . . . . 105 GLU HB3 . 50074 1 1040 . 1 . 1 105 105 GLU HG2 H 1 2.275 0 . 1 . . . . . 105 GLU HG2 . 50074 1 1041 . 1 . 1 105 105 GLU HG3 H 1 2.203 0 . 1 . . . . . 105 GLU HG3 . 50074 1 1042 . 1 . 1 105 105 GLU C C 13 175.749 0.004 . 1 . . . . . 105 GLU C . 50074 1 1043 . 1 . 1 105 105 GLU CA C 13 58.027 0.092 . 1 . . . . . 105 GLU CA . 50074 1 1044 . 1 . 1 105 105 GLU CB C 13 29.701 0.074 . 1 . . . . . 105 GLU CB . 50074 1 1045 . 1 . 1 105 105 GLU CG C 13 36.3 0.003 . 1 . . . . . 105 GLU CG . 50074 1 1046 . 1 . 1 105 105 GLU N N 15 124.863 0.084 . 1 . . . . . 105 GLU N . 50074 1 1047 . 1 . 1 106 106 ASP H H 1 8.719 0.013 . 1 . . . . . 106 ASP H . 50074 1 1048 . 1 . 1 106 106 ASP HA H 1 4.653 0.007 . 1 . . . . . 106 ASP HA . 50074 1 1049 . 1 . 1 106 106 ASP HB2 H 1 2.931 0.006 . 1 . . . . . 106 ASP HB2 . 50074 1 1050 . 1 . 1 106 106 ASP HB3 H 1 2.454 0.005 . 1 . . . . . 106 ASP HB3 . 50074 1 1051 . 1 . 1 106 106 ASP C C 13 176.332 0.008 . 1 . . . . . 106 ASP C . 50074 1 1052 . 1 . 1 106 106 ASP CA C 13 52.744 0.1 . 1 . . . . . 106 ASP CA . 50074 1 1053 . 1 . 1 106 106 ASP CB C 13 41.743 0.101 . 1 . . . . . 106 ASP CB . 50074 1 1054 . 1 . 1 106 106 ASP N N 15 119.868 0.071 . 1 . . . . . 106 ASP N . 50074 1 1055 . 1 . 1 107 107 ASN H H 1 8.79 0.008 . 1 . . . . . 107 ASN H . 50074 1 1056 . 1 . 1 107 107 ASN HA H 1 4.271 0.003 . 1 . . . . . 107 ASN HA . 50074 1 1057 . 1 . 1 107 107 ASN HB2 H 1 2.798 0.002 . 1 . . . . . 107 ASN HB2 . 50074 1 1058 . 1 . 1 107 107 ASN HB3 H 1 2.721 0.002 . 1 . . . . . 107 ASN HB3 . 50074 1 1059 . 1 . 1 107 107 ASN C C 13 178.115 0.016 . 1 . . . . . 107 ASN C . 50074 1 1060 . 1 . 1 107 107 ASN CA C 13 56.051 0.047 . 1 . . . . . 107 ASN CA . 50074 1 1061 . 1 . 1 107 107 ASN CB C 13 37.241 0.13 . 1 . . . . . 107 ASN CB . 50074 1 1062 . 1 . 1 107 107 ASN N N 15 125.771 0.068 . 1 . . . . . 107 ASN N . 50074 1 1063 . 1 . 1 108 108 CYS H H 1 8.293 0.008 . 1 . . . . . 108 CYS H . 50074 1 1064 . 1 . 1 108 108 CYS HA H 1 4.028 0.002 . 1 . . . . . 108 CYS HA . 50074 1 1065 . 1 . 1 108 108 CYS HB2 H 1 3.726 0.003 . 1 . . . . . 108 CYS HB2 . 50074 1 1066 . 1 . 1 108 108 CYS HB3 H 1 3.072 0.002 . 1 . . . . . 108 CYS HB3 . 50074 1 1067 . 1 . 1 108 108 CYS C C 13 176.518 0.021 . 1 . . . . . 108 CYS C . 50074 1 1068 . 1 . 1 108 108 CYS CA C 13 61.008 0.077 . 1 . . . . . 108 CYS CA . 50074 1 1069 . 1 . 1 108 108 CYS CB C 13 43.816 0.277 . 1 . . . . . 108 CYS CB . 50074 1 1070 . 1 . 1 108 108 CYS N N 15 119.079 0.056 . 1 . . . . . 108 CYS N . 50074 1 1071 . 1 . 1 109 109 LEU H H 1 7.526 0.007 . 1 . . . . . 109 LEU H . 50074 1 1072 . 1 . 1 109 109 LEU HA H 1 4.065 0.006 . 1 . . . . . 109 LEU HA . 50074 1 1073 . 1 . 1 109 109 LEU HB2 H 1 1.782 0.011 . 1 . . . . . 109 LEU HB2 . 50074 1 1074 . 1 . 1 109 109 LEU HB3 H 1 1.402 0.052 . 1 . . . . . 109 LEU HB3 . 50074 1 1075 . 1 . 1 109 109 LEU HG H 1 1.386 0 . 1 . . . . . 109 LEU HG . 50074 1 1076 . 1 . 1 109 109 LEU HD11 H 1 0.945 0.002 . 2 . . . . . 109 LEU HD11 . 50074 1 1077 . 1 . 1 109 109 LEU HD12 H 1 0.945 0.002 . 2 . . . . . 109 LEU HD12 . 50074 1 1078 . 1 . 1 109 109 LEU HD13 H 1 0.945 0.002 . 2 . . . . . 109 LEU HD13 . 50074 1 1079 . 1 . 1 109 109 LEU HD21 H 1 0.755 0.004 . 2 . . . . . 109 LEU HD21 . 50074 1 1080 . 1 . 1 109 109 LEU HD22 H 1 0.755 0.004 . 2 . . . . . 109 LEU HD22 . 50074 1 1081 . 1 . 1 109 109 LEU HD23 H 1 0.755 0.004 . 2 . . . . . 109 LEU HD23 . 50074 1 1082 . 1 . 1 109 109 LEU C C 13 178.762 0 . 1 . . . . . 109 LEU C . 50074 1 1083 . 1 . 1 109 109 LEU CA C 13 57.244 0.053 . 1 . . . . . 109 LEU CA . 50074 1 1084 . 1 . 1 109 109 LEU CB C 13 40.887 0.196 . 1 . . . . . 109 LEU CB . 50074 1 1085 . 1 . 1 109 109 LEU CG C 13 27.246 0 . 1 . . . . . 109 LEU CG . 50074 1 1086 . 1 . 1 109 109 LEU CD1 C 13 25.139 0 . 1 . . . . . 109 LEU CD1 . 50074 1 1087 . 1 . 1 109 109 LEU CD2 C 13 22.295 0 . 1 . . . . . 109 LEU CD2 . 50074 1 1088 . 1 . 1 109 109 LEU N N 15 120.057 0.097 . 1 . . . . . 109 LEU N . 50074 1 1089 . 1 . 1 110 110 MET H H 1 8.232 0.01 . 1 . . . . . 110 MET H . 50074 1 1090 . 1 . 1 110 110 MET HA H 1 4.295 0.006 . 1 . . . . . 110 MET HA . 50074 1 1091 . 1 . 1 110 110 MET HB2 H 1 2.19 0.002 . 1 . . . . . 110 MET HB2 . 50074 1 1092 . 1 . 1 110 110 MET HB3 H 1 2.096 0.005 . 1 . . . . . 110 MET HB3 . 50074 1 1093 . 1 . 1 110 110 MET HG2 H 1 2.662 0.004 . 1 . . . . . 110 MET HG2 . 50074 1 1094 . 1 . 1 110 110 MET HG3 H 1 2.562 0.006 . 1 . . . . . 110 MET HG3 . 50074 1 1095 . 1 . 1 110 110 MET C C 13 177.577 0.012 . 1 . . . . . 110 MET C . 50074 1 1096 . 1 . 1 110 110 MET CA C 13 58.331 0.107 . 1 . . . . . 110 MET CA . 50074 1 1097 . 1 . 1 110 110 MET CB C 13 31.594 0.138 . 1 . . . . . 110 MET CB . 50074 1 1098 . 1 . 1 110 110 MET N N 15 121.688 0.064 . 1 . . . . . 110 MET N . 50074 1 1099 . 1 . 1 111 111 ALA H H 1 7.822 0.018 . 1 . . . . . 111 ALA H . 50074 1 1100 . 1 . 1 111 111 ALA HA H 1 3.994 0.046 . 1 . . . . . 111 ALA HA . 50074 1 1101 . 1 . 1 111 111 ALA HB1 H 1 1.398 0.002 . 1 . . . . . 111 ALA HB1 . 50074 1 1102 . 1 . 1 111 111 ALA HB2 H 1 1.398 0.002 . 1 . . . . . 111 ALA HB2 . 50074 1 1103 . 1 . 1 111 111 ALA HB3 H 1 1.398 0.002 . 1 . . . . . 111 ALA HB3 . 50074 1 1104 . 1 . 1 111 111 ALA C C 13 180.701 0.014 . 1 . . . . . 111 ALA C . 50074 1 1105 . 1 . 1 111 111 ALA CA C 13 55.462 0.084 . 1 . . . . . 111 ALA CA . 50074 1 1106 . 1 . 1 111 111 ALA CB C 13 18.354 0.066 . 1 . . . . . 111 ALA CB . 50074 1 1107 . 1 . 1 111 111 ALA N N 15 120.45 0.337 . 1 . . . . . 111 ALA N . 50074 1 1108 . 1 . 1 112 112 LEU H H 1 7.808 0.011 . 1 . . . . . 112 LEU H . 50074 1 1109 . 1 . 1 112 112 LEU HA H 1 3.853 0.007 . 1 . . . . . 112 LEU HA . 50074 1 1110 . 1 . 1 112 112 LEU HB2 H 1 1.861 0.003 . 1 . . . . . 112 LEU HB2 . 50074 1 1111 . 1 . 1 112 112 LEU HB3 H 1 1.516 0.003 . 1 . . . . . 112 LEU HB3 . 50074 1 1112 . 1 . 1 112 112 LEU HG H 1 1.541 0 . 1 . . . . . 112 LEU HG . 50074 1 1113 . 1 . 1 112 112 LEU HD11 H 1 0.633 0 . 2 . . . . . 112 LEU HD11 . 50074 1 1114 . 1 . 1 112 112 LEU HD12 H 1 0.633 0 . 2 . . . . . 112 LEU HD12 . 50074 1 1115 . 1 . 1 112 112 LEU HD13 H 1 0.633 0 . 2 . . . . . 112 LEU HD13 . 50074 1 1116 . 1 . 1 112 112 LEU HD21 H 1 0.578 0 . 2 . . . . . 112 LEU HD21 . 50074 1 1117 . 1 . 1 112 112 LEU HD22 H 1 0.578 0 . 2 . . . . . 112 LEU HD22 . 50074 1 1118 . 1 . 1 112 112 LEU HD23 H 1 0.578 0 . 2 . . . . . 112 LEU HD23 . 50074 1 1119 . 1 . 1 112 112 LEU CA C 13 58.543 0.029 . 1 . . . . . 112 LEU CA . 50074 1 1120 . 1 . 1 112 112 LEU CB C 13 42.758 0.117 . 1 . . . . . 112 LEU CB . 50074 1 1121 . 1 . 1 112 112 LEU CD1 C 13 24.412 0 . 1 . . . . . 112 LEU CD1 . 50074 1 1122 . 1 . 1 112 112 LEU N N 15 119.645 0.106 . 1 . . . . . 112 LEU N . 50074 1 1123 . 1 . 1 113 113 GLY H H 1 7.963 0.009 . 1 . . . . . 113 GLY H . 50074 1 1124 . 1 . 1 113 113 GLY HA2 H 1 3.881 0.012 . 1 . . . . . 113 GLY HA2 . 50074 1 1125 . 1 . 1 113 113 GLY HA3 H 1 3.811 0.009 . 1 . . . . . 113 GLY HA3 . 50074 1 1126 . 1 . 1 113 113 GLY C C 13 177.811 0.009 . 1 . . . . . 113 GLY C . 50074 1 1127 . 1 . 1 113 113 GLY CA C 13 47.852 1.007 . 1 . . . . . 113 GLY CA . 50074 1 1128 . 1 . 1 113 113 GLY N N 15 106.691 0.075 . 1 . . . . . 113 GLY N . 50074 1 1129 . 1 . 1 114 114 ILE H H 1 8.922 0.008 . 1 . . . . . 114 ILE H . 50074 1 1130 . 1 . 1 114 114 ILE HA H 1 3.539 0.006 . 1 . . . . . 114 ILE HA . 50074 1 1131 . 1 . 1 114 114 ILE HB H 1 1.763 0.002 . 1 . . . . . 114 ILE HB . 50074 1 1132 . 1 . 1 114 114 ILE HG21 H 1 0.879 0.001 . 1 . . . . . 114 ILE HG21 . 50074 1 1133 . 1 . 1 114 114 ILE HG22 H 1 0.879 0.001 . 1 . . . . . 114 ILE HG22 . 50074 1 1134 . 1 . 1 114 114 ILE HG23 H 1 0.879 0.001 . 1 . . . . . 114 ILE HG23 . 50074 1 1135 . 1 . 1 114 114 ILE CA C 13 66.179 0.076 . 1 . . . . . 114 ILE CA . 50074 1 1136 . 1 . 1 114 114 ILE CB C 13 38.192 0.029 . 1 . . . . . 114 ILE CB . 50074 1 1137 . 1 . 1 114 114 ILE CG1 C 13 30.113 0 . 1 . . . . . 114 ILE CG1 . 50074 1 1138 . 1 . 1 114 114 ILE CG2 C 13 17.963 0 . 1 . . . . . 114 ILE CG2 . 50074 1 1139 . 1 . 1 114 114 ILE CD1 C 13 14.539 0 . 1 . . . . . 114 ILE CD1 . 50074 1 1140 . 1 . 1 114 114 ILE N N 15 124.466 0.077 . 1 . . . . . 114 ILE N . 50074 1 1141 . 1 . 1 115 115 SER H H 1 8.621 0.008 . 1 . . . . . 115 SER H . 50074 1 1142 . 1 . 1 115 115 SER HA H 1 4.149 0.059 . 1 . . . . . 115 SER HA . 50074 1 1143 . 1 . 1 115 115 SER C C 13 176.226 0.011 . 1 . . . . . 115 SER C . 50074 1 1144 . 1 . 1 115 115 SER CA C 13 62.881 0.638 . 1 . . . . . 115 SER CA . 50074 1 1145 . 1 . 1 115 115 SER CB C 13 63.767 0.091 . 1 . . . . . 115 SER CB . 50074 1 1146 . 1 . 1 115 115 SER N N 15 117.184 0.051 . 1 . . . . . 115 SER N . 50074 1 1147 . 1 . 1 116 116 MET H H 1 8.086 0.007 . 1 . . . . . 116 MET H . 50074 1 1148 . 1 . 1 116 116 MET HA H 1 4.628 0.005 . 1 . . . . . 116 MET HA . 50074 1 1149 . 1 . 1 116 116 MET HB2 H 1 2.226 0.006 . 2 . . . . . 116 MET HB2 . 50074 1 1150 . 1 . 1 116 116 MET HB3 H 1 2.03 0.006 . 2 . . . . . 116 MET HB3 . 50074 1 1151 . 1 . 1 116 116 MET HG2 H 1 2.873 0.01 . 1 . . . . . 116 MET HG2 . 50074 1 1152 . 1 . 1 116 116 MET HG3 H 1 2.536 0.007 . 1 . . . . . 116 MET HG3 . 50074 1 1153 . 1 . 1 116 116 MET HE1 H 1 0.768 0 . 1 . . . . . 116 MET HE1 . 50074 1 1154 . 1 . 1 116 116 MET HE2 H 1 0.768 0 . 1 . . . . . 116 MET HE2 . 50074 1 1155 . 1 . 1 116 116 MET HE3 H 1 0.768 0 . 1 . . . . . 116 MET HE3 . 50074 1 1156 . 1 . 1 116 116 MET C C 13 178.502 0.004 . 1 . . . . . 116 MET C . 50074 1 1157 . 1 . 1 116 116 MET CA C 13 56.375 0.049 . 1 . . . . . 116 MET CA . 50074 1 1158 . 1 . 1 116 116 MET CB C 13 31.861 0.087 . 1 . . . . . 116 MET CB . 50074 1 1159 . 1 . 1 116 116 MET CG C 13 31.298 0 . 1 . . . . . 116 MET CG . 50074 1 1160 . 1 . 1 116 116 MET N N 15 121.551 0.063 . 1 . . . . . 116 MET N . 50074 1 1161 . 1 . 1 117 117 CYS H H 1 7.787 0.009 . 1 . . . . . 117 CYS H . 50074 1 1162 . 1 . 1 117 117 CYS HA H 1 4.345 0.001 . 1 . . . . . 117 CYS HA . 50074 1 1163 . 1 . 1 117 117 CYS HB2 H 1 3.409 0.002 . 1 . . . . . 117 CYS HB2 . 50074 1 1164 . 1 . 1 117 117 CYS HB3 H 1 3.201 0.002 . 1 . . . . . 117 CYS HB3 . 50074 1 1165 . 1 . 1 117 117 CYS C C 13 175.458 0.006 . 1 . . . . . 117 CYS C . 50074 1 1166 . 1 . 1 117 117 CYS CA C 13 59.93 0.143 . 1 . . . . . 117 CYS CA . 50074 1 1167 . 1 . 1 117 117 CYS CB C 13 37.821 0.16 . 1 . . . . . 117 CYS CB . 50074 1 1168 . 1 . 1 117 117 CYS N N 15 123.898 0.07 . 1 . . . . . 117 CYS N . 50074 1 1169 . 1 . 1 118 118 PHE H H 1 8.771 0.014 . 1 . . . . . 118 PHE H . 50074 1 1170 . 1 . 1 118 118 PHE HA H 1 4.062 0 . 1 . . . . . 118 PHE HA . 50074 1 1171 . 1 . 1 118 118 PHE HB2 H 1 3.487 0.002 . 1 . . . . . 118 PHE HB2 . 50074 1 1172 . 1 . 1 118 118 PHE HB3 H 1 2.975 0.003 . 1 . . . . . 118 PHE HB3 . 50074 1 1173 . 1 . 1 118 118 PHE C C 13 175.495 0 . 1 . . . . . 118 PHE C . 50074 1 1174 . 1 . 1 118 118 PHE CA C 13 56.093 0.019 . 1 . . . . . 118 PHE CA . 50074 1 1175 . 1 . 1 118 118 PHE CB C 13 39.697 0.062 . 1 . . . . . 118 PHE CB . 50074 1 1176 . 1 . 1 118 118 PHE N N 15 123.601 0.048 . 1 . . . . . 118 PHE N . 50074 1 1177 . 1 . 1 119 119 LYS H H 1 8.704 0.397 . 1 . . . . . 119 LYS H . 50074 1 1178 . 1 . 1 119 119 LYS HA H 1 3.188 0 . 1 . . . . . 119 LYS HA . 50074 1 1179 . 1 . 1 119 119 LYS C C 13 177.343 0.651 . 1 . . . . . 119 LYS C . 50074 1 1180 . 1 . 1 119 119 LYS CA C 13 60.019 0.009 . 1 . . . . . 119 LYS CA . 50074 1 1181 . 1 . 1 119 119 LYS CB C 13 33.734 0.002 . 1 . . . . . 119 LYS CB . 50074 1 1182 . 1 . 1 119 119 LYS CG C 13 25.86 0 . 1 . . . . . 119 LYS CG . 50074 1 1183 . 1 . 1 119 119 LYS CD C 13 25.861 0 . 1 . . . . . 119 LYS CD . 50074 1 1184 . 1 . 1 119 119 LYS CE C 13 43.226 0 . 1 . . . . . 119 LYS CE . 50074 1 1185 . 1 . 1 119 119 LYS N N 15 123.399 0.063 . 1 . . . . . 119 LYS N . 50074 1 1186 . 1 . 1 120 120 THR H H 1 7.926 0.043 . 1 . . . . . 120 THR H . 50074 1 1187 . 1 . 1 120 120 THR HA H 1 3.902 0.005 . 1 . . . . . 120 THR HA . 50074 1 1188 . 1 . 1 120 120 THR HB H 1 4.411 0.007 . 1 . . . . . 120 THR HB . 50074 1 1189 . 1 . 1 120 120 THR HG1 H 1 5.396 0.015 . 1 . . . . . 120 THR HG1 . 50074 1 1190 . 1 . 1 120 120 THR HG21 H 1 1.2 0.007 . 1 . . . . . 120 THR HG21 . 50074 1 1191 . 1 . 1 120 120 THR HG22 H 1 1.2 0.007 . 1 . . . . . 120 THR HG22 . 50074 1 1192 . 1 . 1 120 120 THR HG23 H 1 1.2 0.007 . 1 . . . . . 120 THR HG23 . 50074 1 1193 . 1 . 1 120 120 THR C C 13 176.959 0.005 . 1 . . . . . 120 THR C . 50074 1 1194 . 1 . 1 120 120 THR CA C 13 67.036 0.08 . 1 . . . . . 120 THR CA . 50074 1 1195 . 1 . 1 120 120 THR CB C 13 69.101 0.124 . 1 . . . . . 120 THR CB . 50074 1 1196 . 1 . 1 120 120 THR CG2 C 13 21.512 0.1 . 1 . . . . . 120 THR CG2 . 50074 1 1197 . 1 . 1 120 120 THR N N 15 114 0.092 . 1 . . . . . 120 THR N . 50074 1 1198 . 1 . 1 121 121 GLU H H 1 7.723 0.009 . 1 . . . . . 121 GLU H . 50074 1 1199 . 1 . 1 121 121 GLU HA H 1 3.984 0.004 . 1 . . . . . 121 GLU HA . 50074 1 1200 . 1 . 1 121 121 GLU HB2 H 1 2.019 0 . 1 . . . . . 121 GLU HB2 . 50074 1 1201 . 1 . 1 121 121 GLU HB3 H 1 1.922 0 . 1 . . . . . 121 GLU HB3 . 50074 1 1202 . 1 . 1 121 121 GLU HG2 H 1 2.435 0 . 1 . . . . . 121 GLU HG2 . 50074 1 1203 . 1 . 1 121 121 GLU HG3 H 1 2.363 0 . 1 . . . . . 121 GLU HG3 . 50074 1 1204 . 1 . 1 121 121 GLU C C 13 178.624 0.013 . 1 . . . . . 121 GLU C . 50074 1 1205 . 1 . 1 121 121 GLU CA C 13 58.583 0.121 . 1 . . . . . 121 GLU CA . 50074 1 1206 . 1 . 1 121 121 GLU CB C 13 29.338 0.078 . 1 . . . . . 121 GLU CB . 50074 1 1207 . 1 . 1 121 121 GLU CG C 13 35.104 0.017 . 1 . . . . . 121 GLU CG . 50074 1 1208 . 1 . 1 121 121 GLU N N 15 120.758 0.089 . 1 . . . . . 121 GLU N . 50074 1 1209 . 1 . 1 122 122 ILE H H 1 8.261 0.011 . 1 . . . . . 122 ILE H . 50074 1 1210 . 1 . 1 122 122 ILE HA H 1 3.575 0.007 . 1 . . . . . 122 ILE HA . 50074 1 1211 . 1 . 1 122 122 ILE HB H 1 2.229 0.006 . 1 . . . . . 122 ILE HB . 50074 1 1212 . 1 . 1 122 122 ILE HG21 H 1 0.494 0.01 . 1 . . . . . 122 ILE HG21 . 50074 1 1213 . 1 . 1 122 122 ILE HG22 H 1 0.494 0.01 . 1 . . . . . 122 ILE HG22 . 50074 1 1214 . 1 . 1 122 122 ILE HG23 H 1 0.494 0.01 . 1 . . . . . 122 ILE HG23 . 50074 1 1215 . 1 . 1 122 122 ILE C C 13 176.091 0 . 1 . . . . . 122 ILE C . 50074 1 1216 . 1 . 1 122 122 ILE CA C 13 61.617 0.084 . 1 . . . . . 122 ILE CA . 50074 1 1217 . 1 . 1 122 122 ILE CB C 13 34.197 0.079 . 1 . . . . . 122 ILE CB . 50074 1 1218 . 1 . 1 122 122 ILE CG1 C 13 26.139 0 . 1 . . . . . 122 ILE CG1 . 50074 1 1219 . 1 . 1 122 122 ILE CG2 C 13 18.754 0 . 1 . . . . . 122 ILE CG2 . 50074 1 1220 . 1 . 1 122 122 ILE CD1 C 13 9.303 0 . 1 . . . . . 122 ILE CD1 . 50074 1 1221 . 1 . 1 122 122 ILE N N 15 120.66 0.073 . 1 . . . . . 122 ILE N . 50074 1 1222 . 1 . 1 123 123 HIS H H 1 8.536 0.007 . 1 . . . . . 123 HIS H . 50074 1 1223 . 1 . 1 123 123 HIS HA H 1 4.26 0.004 . 1 . . . . . 123 HIS HA . 50074 1 1224 . 1 . 1 123 123 HIS HB2 H 1 3.239 0.007 . 1 . . . . . 123 HIS HB2 . 50074 1 1225 . 1 . 1 123 123 HIS HB3 H 1 3.239 0.007 . 1 . . . . . 123 HIS HB3 . 50074 1 1226 . 1 . 1 123 123 HIS C C 13 179.753 0.01 . 1 . . . . . 123 HIS C . 50074 1 1227 . 1 . 1 123 123 HIS CA C 13 60.269 1.57 . 1 . . . . . 123 HIS CA . 50074 1 1228 . 1 . 1 123 123 HIS CB C 13 28.615 0.075 . 1 . . . . . 123 HIS CB . 50074 1 1229 . 1 . 1 123 123 HIS N N 15 119.537 0.05 . 1 . . . . . 123 HIS N . 50074 1 1230 . 1 . 1 124 124 LYS H H 1 7.786 0.205 . 1 . . . . . 124 LYS H . 50074 1 1231 . 1 . 1 124 124 LYS HA H 1 3.893 0.013 . 1 . . . . . 124 LYS HA . 50074 1 1232 . 1 . 1 124 124 LYS HB2 H 1 2.109 0 . 2 . . . . . 124 LYS HB2 . 50074 1 1233 . 1 . 1 124 124 LYS HB3 H 1 2.109 0 . 2 . . . . . 124 LYS HB3 . 50074 1 1234 . 1 . 1 124 124 LYS HG2 H 1 1.591 0 . 2 . . . . . 124 LYS HG2 . 50074 1 1235 . 1 . 1 124 124 LYS HG3 H 1 1.591 0 . 2 . . . . . 124 LYS HG3 . 50074 1 1236 . 1 . 1 124 124 LYS HE2 H 1 2.73 0.001 . 2 . . . . . 124 LYS HE2 . 50074 1 1237 . 1 . 1 124 124 LYS HE3 H 1 2.73 0.001 . 2 . . . . . 124 LYS HE3 . 50074 1 1238 . 1 . 1 124 124 LYS C C 13 178.18 0.023 . 1 . . . . . 124 LYS C . 50074 1 1239 . 1 . 1 124 124 LYS CA C 13 58.23 1.983 . 1 . . . . . 124 LYS CA . 50074 1 1240 . 1 . 1 124 124 LYS CB C 13 32.442 0.105 . 1 . . . . . 124 LYS CB . 50074 1 1241 . 1 . 1 124 124 LYS CG C 13 25.31 0 . 1 . . . . . 124 LYS CG . 50074 1 1242 . 1 . 1 124 124 LYS CD C 13 29.613 0 . 1 . . . . . 124 LYS CD . 50074 1 1243 . 1 . 1 124 124 LYS CE C 13 41.847 0 . 1 . . . . . 124 LYS CE . 50074 1 1244 . 1 . 1 124 124 LYS N N 15 121.222 0.968 . 1 . . . . . 124 LYS N . 50074 1 1245 . 1 . 1 125 125 LEU H H 1 6.998 0.011 . 1 . . . . . 125 LEU H . 50074 1 1246 . 1 . 1 125 125 LEU HA H 1 3.694 0.009 . 1 . . . . . 125 LEU HA . 50074 1 1247 . 1 . 1 125 125 LEU HB2 H 1 1.133 0.006 . 1 . . . . . 125 LEU HB2 . 50074 1 1248 . 1 . 1 125 125 LEU HB3 H 1 0.851 0.144 . 1 . . . . . 125 LEU HB3 . 50074 1 1249 . 1 . 1 125 125 LEU HG H 1 0.248 0.21 . 1 . . . . . 125 LEU HG . 50074 1 1250 . 1 . 1 125 125 LEU HD11 H 1 -0.157 0.001 . 2 . . . . . 125 LEU HD11 . 50074 1 1251 . 1 . 1 125 125 LEU HD12 H 1 -0.157 0.001 . 2 . . . . . 125 LEU HD12 . 50074 1 1252 . 1 . 1 125 125 LEU HD13 H 1 -0.157 0.001 . 2 . . . . . 125 LEU HD13 . 50074 1 1253 . 1 . 1 125 125 LEU HD21 H 1 -0.252 0.004 . 2 . . . . . 125 LEU HD21 . 50074 1 1254 . 1 . 1 125 125 LEU HD22 H 1 -0.252 0.004 . 2 . . . . . 125 LEU HD22 . 50074 1 1255 . 1 . 1 125 125 LEU HD23 H 1 -0.252 0.004 . 2 . . . . . 125 LEU HD23 . 50074 1 1256 . 1 . 1 125 125 LEU C C 13 175.175 0 . 1 . . . . . 125 LEU C . 50074 1 1257 . 1 . 1 125 125 LEU CA C 13 54.946 0.436 . 1 . . . . . 125 LEU CA . 50074 1 1258 . 1 . 1 125 125 LEU CB C 13 41.566 0.035 . 1 . . . . . 125 LEU CB . 50074 1 1259 . 1 . 1 125 125 LEU CG C 13 25.897 0 . 1 . . . . . 125 LEU CG . 50074 1 1260 . 1 . 1 125 125 LEU CD1 C 13 24.752 0.077 . 1 . . . . . 125 LEU CD1 . 50074 1 1261 . 1 . 1 125 125 LEU CD2 C 13 21.827 0 . 1 . . . . . 125 LEU CD2 . 50074 1 1262 . 1 . 1 125 125 LEU N N 15 118.057 0.057 . 1 . . . . . 125 LEU N . 50074 1 1263 . 1 . 1 126 126 ASN H H 1 7.865 0.01 . 1 . . . . . 126 ASN H . 50074 1 1264 . 1 . 1 126 126 ASN HA H 1 4.556 0.007 . 1 . . . . . 126 ASN HA . 50074 1 1265 . 1 . 1 126 126 ASN HB2 H 1 3.252 0.005 . 1 . . . . . 126 ASN HB2 . 50074 1 1266 . 1 . 1 126 126 ASN HB3 H 1 2.783 0.005 . 1 . . . . . 126 ASN HB3 . 50074 1 1267 . 1 . 1 126 126 ASN C C 13 176.201 0.002 . 1 . . . . . 126 ASN C . 50074 1 1268 . 1 . 1 126 126 ASN CA C 13 54.233 0.082 . 1 . . . . . 126 ASN CA . 50074 1 1269 . 1 . 1 126 126 ASN CB C 13 37.154 0.055 . 1 . . . . . 126 ASN CB . 50074 1 1270 . 1 . 1 126 126 ASN N N 15 112.609 0.061 . 1 . . . . . 126 ASN N . 50074 1 1271 . 1 . 1 127 127 TRP H H 1 7.48 0.009 . 1 . . . . . 127 TRP H . 50074 1 1272 . 1 . 1 127 127 TRP HA H 1 4.7 0.007 . 1 . . . . . 127 TRP HA . 50074 1 1273 . 1 . 1 127 127 TRP HB2 H 1 3.176 0.007 . 1 . . . . . 127 TRP HB2 . 50074 1 1274 . 1 . 1 127 127 TRP HB3 H 1 2.763 0.008 . 1 . . . . . 127 TRP HB3 . 50074 1 1275 . 1 . 1 127 127 TRP C C 13 174.066 0.024 . 1 . . . . . 127 TRP C . 50074 1 1276 . 1 . 1 127 127 TRP CA C 13 53.787 0.086 . 1 . . . . . 127 TRP CA . 50074 1 1277 . 1 . 1 127 127 TRP CB C 13 31.048 0.197 . 1 . . . . . 127 TRP CB . 50074 1 1278 . 1 . 1 127 127 TRP N N 15 115.626 0.066 . 1 . . . . . 127 TRP N . 50074 1 1279 . 1 . 1 128 128 ALA H H 1 7.183 0.008 . 1 . . . . . 128 ALA H . 50074 1 1280 . 1 . 1 128 128 ALA HA H 1 3.113 0.01 . 1 . . . . . 128 ALA HA . 50074 1 1281 . 1 . 1 128 128 ALA HB1 H 1 0.808 0.011 . 1 . . . . . 128 ALA HB1 . 50074 1 1282 . 1 . 1 128 128 ALA HB2 H 1 0.808 0.011 . 1 . . . . . 128 ALA HB2 . 50074 1 1283 . 1 . 1 128 128 ALA HB3 H 1 0.808 0.011 . 1 . . . . . 128 ALA HB3 . 50074 1 1284 . 1 . 1 128 128 ALA C C 13 174.904 0 . 1 . . . . . 128 ALA C . 50074 1 1285 . 1 . 1 128 128 ALA CA C 13 49.328 0.1 . 1 . . . . . 128 ALA CA . 50074 1 1286 . 1 . 1 128 128 ALA CB C 13 17.999 0.149 . 1 . . . . . 128 ALA CB . 50074 1 1287 . 1 . 1 128 128 ALA N N 15 122.226 0.064 . 1 . . . . . 128 ALA N . 50074 1 1288 . 1 . 1 129 129 PRO HA H 1 4.056 0.004 . 1 . . . . . 129 PRO HA . 50074 1 1289 . 1 . 1 129 129 PRO HB2 H 1 1.119 0 . 2 . . . . . 129 PRO HB2 . 50074 1 1290 . 1 . 1 129 129 PRO HB3 H 1 1.031 0 . 2 . . . . . 129 PRO HB3 . 50074 1 1291 . 1 . 1 129 129 PRO HD2 H 1 3.76 0 . 2 . . . . . 129 PRO HD2 . 50074 1 1292 . 1 . 1 129 129 PRO HD3 H 1 3.547 0 . 2 . . . . . 129 PRO HD3 . 50074 1 1293 . 1 . 1 129 129 PRO CA C 13 61.369 0.035 . 1 . . . . . 129 PRO CA . 50074 1 1294 . 1 . 1 129 129 PRO CB C 13 32.214 0.052 . 1 . . . . . 129 PRO CB . 50074 1 1295 . 1 . 1 129 129 PRO CG C 13 26.101 0.11 . 1 . . . . . 129 PRO CG . 50074 1 1296 . 1 . 1 129 129 PRO CD C 13 48.298 0.059 . 1 . . . . . 129 PRO CD . 50074 1 1297 . 1 . 1 130 130 ASP H H 1 8.077 0.011 . 1 . . . . . 130 ASP H . 50074 1 1298 . 1 . 1 130 130 ASP HA H 1 4.367 0.002 . 1 . . . . . 130 ASP HA . 50074 1 1299 . 1 . 1 130 130 ASP HB2 H 1 2.654 0.002 . 1 . . . . . 130 ASP HB2 . 50074 1 1300 . 1 . 1 130 130 ASP HB3 H 1 2.536 0.002 . 1 . . . . . 130 ASP HB3 . 50074 1 1301 . 1 . 1 130 130 ASP C C 13 176.695 0.001 . 1 . . . . . 130 ASP C . 50074 1 1302 . 1 . 1 130 130 ASP CA C 13 54.646 0.08 . 1 . . . . . 130 ASP CA . 50074 1 1303 . 1 . 1 130 130 ASP CB C 13 41.561 0.169 . 1 . . . . . 130 ASP CB . 50074 1 1304 . 1 . 1 130 130 ASP N N 15 120.602 0.054 . 1 . . . . . 130 ASP N . 50074 1 1305 . 1 . 1 131 131 HIS H H 1 8.555 0.01 . 1 . . . . . 131 HIS H . 50074 1 1306 . 1 . 1 131 131 HIS HA H 1 4.111 0.004 . 1 . . . . . 131 HIS HA . 50074 1 1307 . 1 . 1 131 131 HIS HB2 H 1 3.055 0.009 . 1 . . . . . 131 HIS HB2 . 50074 1 1308 . 1 . 1 131 131 HIS HB3 H 1 3.001 0.003 . 1 . . . . . 131 HIS HB3 . 50074 1 1309 . 1 . 1 131 131 HIS C C 13 175.702 0.021 . 1 . . . . . 131 HIS C . 50074 1 1310 . 1 . 1 131 131 HIS CA C 13 60.301 0.096 . 1 . . . . . 131 HIS CA . 50074 1 1311 . 1 . 1 131 131 HIS CB C 13 32.222 0.068 . 1 . . . . . 131 HIS CB . 50074 1 1312 . 1 . 1 131 131 HIS N N 15 129.419 0.063 . 1 . . . . . 131 HIS N . 50074 1 1313 . 1 . 1 132 132 GLU H H 1 8.084 0.007 . 1 . . . . . 132 GLU H . 50074 1 1314 . 1 . 1 132 132 GLU HA H 1 3.603 0.005 . 1 . . . . . 132 GLU HA . 50074 1 1315 . 1 . 1 132 132 GLU HB2 H 1 2.003 0.002 . 1 . . . . . 132 GLU HB2 . 50074 1 1316 . 1 . 1 132 132 GLU HB3 H 1 1.941 0.002 . 1 . . . . . 132 GLU HB3 . 50074 1 1317 . 1 . 1 132 132 GLU HG2 H 1 2.293 0.002 . 1 . . . . . 132 GLU HG2 . 50074 1 1318 . 1 . 1 132 132 GLU HG3 H 1 2.217 0.003 . 1 . . . . . 132 GLU HG3 . 50074 1 1319 . 1 . 1 132 132 GLU C C 13 179.574 0.009 . 1 . . . . . 132 GLU C . 50074 1 1320 . 1 . 1 132 132 GLU CA C 13 59.684 0.105 . 1 . . . . . 132 GLU CA . 50074 1 1321 . 1 . 1 132 132 GLU CB C 13 28.82 0.097 . 1 . . . . . 132 GLU CB . 50074 1 1322 . 1 . 1 132 132 GLU CG C 13 36.622 0.172 . 1 . . . . . 132 GLU CG . 50074 1 1323 . 1 . 1 132 132 GLU N N 15 117.538 0.056 . 1 . . . . . 132 GLU N . 50074 1 1324 . 1 . 1 133 133 LEU H H 1 7.707 0.011 . 1 . . . . . 133 LEU H . 50074 1 1325 . 1 . 1 133 133 LEU HA H 1 4.06 0.003 . 1 . . . . . 133 LEU HA . 50074 1 1326 . 1 . 1 133 133 LEU HB2 H 1 1.532 0.002 . 2 . . . . . 133 LEU HB2 . 50074 1 1327 . 1 . 1 133 133 LEU HB3 H 1 1.532 0.002 . 2 . . . . . 133 LEU HB3 . 50074 1 1328 . 1 . 1 133 133 LEU HG H 1 0.855 0 . 1 . . . . . 133 LEU HG . 50074 1 1329 . 1 . 1 133 133 LEU HD11 H 1 0.835 0 . 2 . . . . . 133 LEU HD11 . 50074 1 1330 . 1 . 1 133 133 LEU HD12 H 1 0.835 0 . 2 . . . . . 133 LEU HD12 . 50074 1 1331 . 1 . 1 133 133 LEU HD13 H 1 0.835 0 . 2 . . . . . 133 LEU HD13 . 50074 1 1332 . 1 . 1 133 133 LEU HD21 H 1 0.75 0 . 2 . . . . . 133 LEU HD21 . 50074 1 1333 . 1 . 1 133 133 LEU HD22 H 1 0.75 0 . 2 . . . . . 133 LEU HD22 . 50074 1 1334 . 1 . 1 133 133 LEU HD23 H 1 0.75 0 . 2 . . . . . 133 LEU HD23 . 50074 1 1335 . 1 . 1 133 133 LEU CA C 13 56.821 0.682 . 1 . . . . . 133 LEU CA . 50074 1 1336 . 1 . 1 133 133 LEU CB C 13 41.741 0.049 . 1 . . . . . 133 LEU CB . 50074 1 1337 . 1 . 1 133 133 LEU CG C 13 26.908 0 . 1 . . . . . 133 LEU CG . 50074 1 1338 . 1 . 1 133 133 LEU CD1 C 13 24.105 0 . 1 . . . . . 133 LEU CD1 . 50074 1 1339 . 1 . 1 133 133 LEU N N 15 120.078 0.08 . 1 . . . . . 133 LEU N . 50074 1 1340 . 1 . 1 134 134 LEU H H 1 7.856 0.01 . 1 . . . . . 134 LEU H . 50074 1 1341 . 1 . 1 134 134 LEU HA H 1 3.846 0.003 . 1 . . . . . 134 LEU HA . 50074 1 1342 . 1 . 1 134 134 LEU HB2 H 1 1.985 0.002 . 1 . . . . . 134 LEU HB2 . 50074 1 1343 . 1 . 1 134 134 LEU HB3 H 1 1.985 0.002 . 1 . . . . . 134 LEU HB3 . 50074 1 1344 . 1 . 1 134 134 LEU HG H 1 1.49 0.001 . 1 . . . . . 134 LEU HG . 50074 1 1345 . 1 . 1 134 134 LEU HD11 H 1 0.72 0.002 . 2 . . . . . 134 LEU HD11 . 50074 1 1346 . 1 . 1 134 134 LEU HD12 H 1 0.72 0.002 . 2 . . . . . 134 LEU HD12 . 50074 1 1347 . 1 . 1 134 134 LEU HD13 H 1 0.72 0.002 . 2 . . . . . 134 LEU HD13 . 50074 1 1348 . 1 . 1 134 134 LEU HD21 H 1 0.72 0.002 . 2 . . . . . 134 LEU HD21 . 50074 1 1349 . 1 . 1 134 134 LEU HD22 H 1 0.72 0.002 . 2 . . . . . 134 LEU HD22 . 50074 1 1350 . 1 . 1 134 134 LEU HD23 H 1 0.72 0.002 . 2 . . . . . 134 LEU HD23 . 50074 1 1351 . 1 . 1 134 134 LEU CA C 13 58.323 0.087 . 1 . . . . . 134 LEU CA . 50074 1 1352 . 1 . 1 134 134 LEU CB C 13 41.991 0.051 . 1 . . . . . 134 LEU CB . 50074 1 1353 . 1 . 1 134 134 LEU CG C 13 27.166 0 . 1 . . . . . 134 LEU CG . 50074 1 1354 . 1 . 1 134 134 LEU CD1 C 13 24.984 0 . 1 . . . . . 134 LEU CD1 . 50074 1 1355 . 1 . 1 134 134 LEU N N 15 120.543 0.074 . 1 . . . . . 134 LEU N . 50074 1 1356 . 1 . 1 135 135 LEU H H 1 8.209 0.007 . 1 . . . . . 135 LEU H . 50074 1 1357 . 1 . 1 135 135 LEU HA H 1 3.842 0.002 . 1 . . . . . 135 LEU HA . 50074 1 1358 . 1 . 1 135 135 LEU HB2 H 1 1.427 0.003 . 2 . . . . . 135 LEU HB2 . 50074 1 1359 . 1 . 1 135 135 LEU HB3 H 1 1.427 0.003 . 2 . . . . . 135 LEU HB3 . 50074 1 1360 . 1 . 1 135 135 LEU HD11 H 1 0.746 0.002 . 2 . . . . . 135 LEU HD11 . 50074 1 1361 . 1 . 1 135 135 LEU HD12 H 1 0.746 0.002 . 2 . . . . . 135 LEU HD12 . 50074 1 1362 . 1 . 1 135 135 LEU HD13 H 1 0.746 0.002 . 2 . . . . . 135 LEU HD13 . 50074 1 1363 . 1 . 1 135 135 LEU HD21 H 1 0.746 0.002 . 2 . . . . . 135 LEU HD21 . 50074 1 1364 . 1 . 1 135 135 LEU HD22 H 1 0.746 0.002 . 2 . . . . . 135 LEU HD22 . 50074 1 1365 . 1 . 1 135 135 LEU HD23 H 1 0.746 0.002 . 2 . . . . . 135 LEU HD23 . 50074 1 1366 . 1 . 1 135 135 LEU C C 13 173.588 0 . 1 . . . . . 135 LEU C . 50074 1 1367 . 1 . 1 135 135 LEU CA C 13 57.831 1.246 . 1 . . . . . 135 LEU CA . 50074 1 1368 . 1 . 1 135 135 LEU CB C 13 41.384 0.081 . 1 . . . . . 135 LEU CB . 50074 1 1369 . 1 . 1 135 135 LEU CG C 13 26.786 0 . 1 . . . . . 135 LEU CG . 50074 1 1370 . 1 . 1 135 135 LEU CD1 C 13 24.263 0 . 1 . . . . . 135 LEU CD1 . 50074 1 1371 . 1 . 1 135 135 LEU CD2 C 13 24.263 0 . 1 . . . . . 135 LEU CD2 . 50074 1 1372 . 1 . 1 135 135 LEU N N 15 119.361 0.038 . 1 . . . . . 135 LEU N . 50074 1 1373 . 1 . 1 136 136 GLU H H 1 7.604 0.008 . 1 . . . . . 136 GLU H . 50074 1 1374 . 1 . 1 136 136 GLU HA H 1 3.871 0.003 . 1 . . . . . 136 GLU HA . 50074 1 1375 . 1 . 1 136 136 GLU HB2 H 1 2.154 0.004 . 1 . . . . . 136 GLU HB2 . 50074 1 1376 . 1 . 1 136 136 GLU HB3 H 1 2.067 0 . 1 . . . . . 136 GLU HB3 . 50074 1 1377 . 1 . 1 136 136 GLU HG2 H 1 2.162 0.001 . 1 . . . . . 136 GLU HG2 . 50074 1 1378 . 1 . 1 136 136 GLU HG3 H 1 2.3 0.003 . 1 . . . . . 136 GLU HG3 . 50074 1 1379 . 1 . 1 136 136 GLU C C 13 179.605 0.015 . 1 . . . . . 136 GLU C . 50074 1 1380 . 1 . 1 136 136 GLU CA C 13 59.444 0.296 . 1 . . . . . 136 GLU CA . 50074 1 1381 . 1 . 1 136 136 GLU CB C 13 29.424 0.022 . 1 . . . . . 136 GLU CB . 50074 1 1382 . 1 . 1 136 136 GLU CG C 13 36.008 0.006 . 1 . . . . . 136 GLU CG . 50074 1 1383 . 1 . 1 136 136 GLU N N 15 118.208 0.064 . 1 . . . . . 136 GLU N . 50074 1 1384 . 1 . 1 137 137 GLU H H 1 7.995 0.009 . 1 . . . . . 137 GLU H . 50074 1 1385 . 1 . 1 137 137 GLU HA H 1 4.011 0.003 . 1 . . . . . 137 GLU HA . 50074 1 1386 . 1 . 1 137 137 GLU HB2 H 1 1.97 0.002 . 1 . . . . . 137 GLU HB2 . 50074 1 1387 . 1 . 1 137 137 GLU HB3 H 1 1.879 0.002 . 1 . . . . . 137 GLU HB3 . 50074 1 1388 . 1 . 1 137 137 GLU HG2 H 1 2.503 0.002 . 1 . . . . . 137 GLU HG2 . 50074 1 1389 . 1 . 1 137 137 GLU HG3 H 1 2.062 0.002 . 1 . . . . . 137 GLU HG3 . 50074 1 1390 . 1 . 1 137 137 GLU C C 13 179.255 0.044 . 1 . . . . . 137 GLU C . 50074 1 1391 . 1 . 1 137 137 GLU CA C 13 59.381 0.16 . 1 . . . . . 137 GLU CA . 50074 1 1392 . 1 . 1 137 137 GLU CB C 13 29.907 0.057 . 1 . . . . . 137 GLU CB . 50074 1 1393 . 1 . 1 137 137 GLU CG C 13 36.454 0.056 . 1 . . . . . 137 GLU CG . 50074 1 1394 . 1 . 1 137 137 GLU N N 15 119.139 0.086 . 1 . . . . . 137 GLU N . 50074 1 1395 . 1 . 1 138 138 MET H H 1 8.521 0.008 . 1 . . . . . 138 MET H . 50074 1 1396 . 1 . 1 138 138 MET HA H 1 4.061 0.002 . 1 . . . . . 138 MET HA . 50074 1 1397 . 1 . 1 138 138 MET HB2 H 1 2.15 0.002 . 1 . . . . . 138 MET HB2 . 50074 1 1398 . 1 . 1 138 138 MET HB3 H 1 2.012 0.002 . 1 . . . . . 138 MET HB3 . 50074 1 1399 . 1 . 1 138 138 MET HG2 H 1 2.746 0.003 . 1 . . . . . 138 MET HG2 . 50074 1 1400 . 1 . 1 138 138 MET HG3 H 1 2.412 0.002 . 1 . . . . . 138 MET HG3 . 50074 1 1401 . 1 . 1 138 138 MET HE1 H 1 1.621 0 . 1 . . . . . 138 MET HE1 . 50074 1 1402 . 1 . 1 138 138 MET HE2 H 1 1.621 0 . 1 . . . . . 138 MET HE2 . 50074 1 1403 . 1 . 1 138 138 MET HE3 H 1 1.621 0 . 1 . . . . . 138 MET HE3 . 50074 1 1404 . 1 . 1 138 138 MET C C 13 178.832 0.02 . 1 . . . . . 138 MET C . 50074 1 1405 . 1 . 1 138 138 MET CA C 13 59.156 0.3 . 1 . . . . . 138 MET CA . 50074 1 1406 . 1 . 1 138 138 MET CB C 13 33.093 0.046 . 1 . . . . . 138 MET CB . 50074 1 1407 . 1 . 1 138 138 MET CG C 13 32.173 0 . 1 . . . . . 138 MET CG . 50074 1 1408 . 1 . 1 138 138 MET N N 15 117.935 0.054 . 1 . . . . . 138 MET N . 50074 1 1409 . 1 . 1 139 139 MET H H 1 8.279 0.007 . 1 . . . . . 139 MET H . 50074 1 1410 . 1 . 1 139 139 MET HA H 1 4.182 0.005 . 1 . . . . . 139 MET HA . 50074 1 1411 . 1 . 1 139 139 MET HB2 H 1 2.098 0.002 . 1 . . . . . 139 MET HB2 . 50074 1 1412 . 1 . 1 139 139 MET HB3 H 1 1.991 0.002 . 1 . . . . . 139 MET HB3 . 50074 1 1413 . 1 . 1 139 139 MET HG2 H 1 2.674 0.008 . 1 . . . . . 139 MET HG2 . 50074 1 1414 . 1 . 1 139 139 MET HG3 H 1 2.553 0.003 . 1 . . . . . 139 MET HG3 . 50074 1 1415 . 1 . 1 139 139 MET HE1 H 1 1.987 0 . 1 . . . . . 139 MET HE1 . 50074 1 1416 . 1 . 1 139 139 MET HE2 H 1 1.987 0 . 1 . . . . . 139 MET HE2 . 50074 1 1417 . 1 . 1 139 139 MET HE3 H 1 1.987 0 . 1 . . . . . 139 MET HE3 . 50074 1 1418 . 1 . 1 139 139 MET C C 13 178.359 0.006 . 1 . . . . . 139 MET C . 50074 1 1419 . 1 . 1 139 139 MET CA C 13 57.702 0.155 . 1 . . . . . 139 MET CA . 50074 1 1420 . 1 . 1 139 139 MET CB C 13 32.016 0.138 . 1 . . . . . 139 MET CB . 50074 1 1421 . 1 . 1 139 139 MET CG C 13 30.831 0 . 1 . . . . . 139 MET CG . 50074 1 1422 . 1 . 1 139 139 MET CE C 13 18.749 0 . 1 . . . . . 139 MET CE . 50074 1 1423 . 1 . 1 139 139 MET N N 15 117.386 0.095 . 1 . . . . . 139 MET N . 50074 1 1424 . 1 . 1 140 140 ALA H H 1 7.597 0.009 . 1 . . . . . 140 ALA H . 50074 1 1425 . 1 . 1 140 140 ALA HA H 1 4.118 0.002 . 1 . . . . . 140 ALA HA . 50074 1 1426 . 1 . 1 140 140 ALA HB1 H 1 1.447 0.002 . 1 . . . . . 140 ALA HB1 . 50074 1 1427 . 1 . 1 140 140 ALA HB2 H 1 1.447 0.002 . 1 . . . . . 140 ALA HB2 . 50074 1 1428 . 1 . 1 140 140 ALA HB3 H 1 1.447 0.002 . 1 . . . . . 140 ALA HB3 . 50074 1 1429 . 1 . 1 140 140 ALA C C 13 179.554 0.014 . 1 . . . . . 140 ALA C . 50074 1 1430 . 1 . 1 140 140 ALA CA C 13 54.233 0.055 . 1 . . . . . 140 ALA CA . 50074 1 1431 . 1 . 1 140 140 ALA CB C 13 18.394 0.082 . 1 . . . . . 140 ALA CB . 50074 1 1432 . 1 . 1 140 140 ALA N N 15 121.202 0.072 . 1 . . . . . 140 ALA N . 50074 1 1433 . 1 . 1 141 141 GLU H H 1 7.698 0.01 . 1 . . . . . 141 GLU H . 50074 1 1434 . 1 . 1 141 141 GLU HA H 1 4.134 0.002 . 1 . . . . . 141 GLU HA . 50074 1 1435 . 1 . 1 141 141 GLU HB2 H 1 2.054 0.003 . 1 . . . . . 141 GLU HB2 . 50074 1 1436 . 1 . 1 141 141 GLU HB3 H 1 1.967 0.002 . 1 . . . . . 141 GLU HB3 . 50074 1 1437 . 1 . 1 141 141 GLU HG2 H 1 2.387 0.002 . 1 . . . . . 141 GLU HG2 . 50074 1 1438 . 1 . 1 141 141 GLU HG3 H 1 2.222 0.001 . 1 . . . . . 141 GLU HG3 . 50074 1 1439 . 1 . 1 141 141 GLU C C 13 177.423 0.012 . 1 . . . . . 141 GLU C . 50074 1 1440 . 1 . 1 141 141 GLU CA C 13 57.303 0.076 . 1 . . . . . 141 GLU CA . 50074 1 1441 . 1 . 1 141 141 GLU CB C 13 30 0.04 . 1 . . . . . 141 GLU CB . 50074 1 1442 . 1 . 1 141 141 GLU CG C 13 36.317 0.005 . 1 . . . . . 141 GLU CG . 50074 1 1443 . 1 . 1 141 141 GLU N N 15 116.59 0.094 . 1 . . . . . 141 GLU N . 50074 1 1444 . 1 . 1 142 142 MET H H 1 7.68 0.02 . 1 . . . . . 142 MET H . 50074 1 1445 . 1 . 1 142 142 MET HA H 1 4.363 0.004 . 1 . . . . . 142 MET HA . 50074 1 1446 . 1 . 1 142 142 MET HB2 H 1 2.105 0.003 . 1 . . . . . 142 MET HB2 . 50074 1 1447 . 1 . 1 142 142 MET HB3 H 1 2.031 0.002 . 1 . . . . . 142 MET HB3 . 50074 1 1448 . 1 . 1 142 142 MET HG2 H 1 2.651 0.005 . 1 . . . . . 142 MET HG2 . 50074 1 1449 . 1 . 1 142 142 MET HG3 H 1 2.565 0.002 . 1 . . . . . 142 MET HG3 . 50074 1 1450 . 1 . 1 142 142 MET C C 13 176.327 0.36 . 1 . . . . . 142 MET C . 50074 1 1451 . 1 . 1 142 142 MET CA C 13 56.241 0.134 . 1 . . . . . 142 MET CA . 50074 1 1452 . 1 . 1 142 142 MET CB C 13 33.169 0.022 . 1 . . . . . 142 MET CB . 50074 1 1453 . 1 . 1 142 142 MET CG C 13 32.245 0 . 1 . . . . . 142 MET CG . 50074 1 1454 . 1 . 1 142 142 MET N N 15 118.316 0.064 . 1 . . . . . 142 MET N . 50074 1 1455 . 1 . 1 143 143 LYS H H 1 8.001 0.353 . 1 . . . . . 143 LYS H . 50074 1 1456 . 1 . 1 143 143 LYS HA H 1 4.261 0.027 . 1 . . . . . 143 LYS HA . 50074 1 1457 . 1 . 1 143 143 LYS HB2 H 1 1.838 0.003 . 1 . . . . . 143 LYS HB2 . 50074 1 1458 . 1 . 1 143 143 LYS HB3 H 1 1.743 0.004 . 1 . . . . . 143 LYS HB3 . 50074 1 1459 . 1 . 1 143 143 LYS HG2 H 1 1.387 0.011 . 2 . . . . . 143 LYS HG2 . 50074 1 1460 . 1 . 1 143 143 LYS HG3 H 1 1.387 0.011 . 2 . . . . . 143 LYS HG3 . 50074 1 1461 . 1 . 1 143 143 LYS HD2 H 1 1.617 0.005 . 2 . . . . . 143 LYS HD2 . 50074 1 1462 . 1 . 1 143 143 LYS HD3 H 1 1.617 0.005 . 2 . . . . . 143 LYS HD3 . 50074 1 1463 . 1 . 1 143 143 LYS HE2 H 1 2.931 0.003 . 2 . . . . . 143 LYS HE2 . 50074 1 1464 . 1 . 1 143 143 LYS HE3 H 1 2.931 0.003 . 2 . . . . . 143 LYS HE3 . 50074 1 1465 . 1 . 1 143 143 LYS C C 13 174.433 1.303 . 1 . . . . . 143 LYS C . 50074 1 1466 . 1 . 1 143 143 LYS CA C 13 56.216 0.318 . 1 . . . . . 143 LYS CA . 50074 1 1467 . 1 . 1 143 143 LYS CB C 13 32.72 0.056 . 1 . . . . . 143 LYS CB . 50074 1 1468 . 1 . 1 143 143 LYS CG C 13 24.382 0.088 . 1 . . . . . 143 LYS CG . 50074 1 1469 . 1 . 1 143 143 LYS CD C 13 28.912 0.028 . 1 . . . . . 143 LYS CD . 50074 1 1470 . 1 . 1 143 143 LYS CE C 13 42.175 0.024 . 1 . . . . . 143 LYS CE . 50074 1 1471 . 1 . 1 143 143 LYS N N 15 121.648 0.722 . 1 . . . . . 143 LYS N . 50074 1 1472 . 1 . 1 144 144 GLN H H 1 7.775 0.014 . 1 . . . . . 144 GLN H . 50074 1 1473 . 1 . 1 144 144 GLN HA H 1 4.097 0.002 . 1 . . . . . 144 GLN HA . 50074 1 1474 . 1 . 1 144 144 GLN HB2 H 1 2.055 0.002 . 1 . . . . . 144 GLN HB2 . 50074 1 1475 . 1 . 1 144 144 GLN HB3 H 1 1.858 0.005 . 1 . . . . . 144 GLN HB3 . 50074 1 1476 . 1 . 1 144 144 GLN C C 13 180.768 0.182 . 1 . . . . . 144 GLN C . 50074 1 1477 . 1 . 1 144 144 GLN CA C 13 57.336 0.158 . 1 . . . . . 144 GLN CA . 50074 1 1478 . 1 . 1 144 144 GLN CB C 13 30.454 0.07 . 1 . . . . . 144 GLN CB . 50074 1 1479 . 1 . 1 144 144 GLN N N 15 126.471 0.149 . 1 . . . . . 144 GLN N . 50074 1 stop_ save_