data_50972 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50972 _Entry.Title ; 1H,13C, 15N chemical shift assignment of NTD MaSp1 from Triconephila clavipes ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-13 _Entry.Accession_date 2021-06-13 _Entry.Last_release_date 2021-06-14 _Entry.Original_release_date 2021-06-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; 1H, 13C, 15N backbone and side chain chemical shift assignment of N-terminal domain of Major ampullate spidroin 1 from Triconephila clavipes. ; _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 'Nur Alia' Oktaviani . . . 0000-0002-7948-5949 50972 2 Ali Malay . . . . 50972 3 Akimasa Matsugami . . . . 50972 4 Fumiaki Oktaviani . . . . 50972 5 Keiji Numata . . . . 50972 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'RIKEN Center for Sustainable Resource Sciences' . 50972 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50972 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 527 50972 '15N chemical shifts' 143 50972 '1H chemical shifts' 882 50972 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-05-25 2021-06-14 update BMRB 'update entry citation' 50972 1 . . 2023-03-02 2021-06-14 original author 'original release' 50972 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17131 'chemical shift assignment of NTD MaSp1 from L.hesperus' 50972 BMRB 17148 'chemical shift assignment of NTD MaSp1 from N.clavipes' 50972 BMRB 18262 'chemical shift assignment of NTD MaSp1 from E.australis at pH 7.2' 50972 BMRB 25397 'chemical shift assignment of NTD MiSp from A.ventricosus at pH 7.2' 50972 BMRB 50353 'chemical shift assignment of NTD MaSp2 from N.Clavipes at pH 7 + 300 mM NaCl' 50972 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50972 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36990448 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Unusual p Ka Values Mediate the Self-Assembly of Spider Dragline Silk Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomacromolecules _Citation.Journal_name_full Biomacromolecules _Citation.Journal_volume 24 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1526-4602 _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 1604 _Citation.Page_last 1616 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Nur Alia' Oktaviani N. A. . . 50972 1 2 Ali Malay A. D. . . 50972 1 3 Akimasa Matsugami A. . . . 50972 1 4 Fumiaki Hayashi F. . . . 50972 1 5 Keiji Numata K. . . . 50972 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50972 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of major ampullate spidroin 1 from Triconephila clavipes' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14500 _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 'N-terminal domain of major ampullate spidroin 1 from Triconephila clavipes' 1 $entity_1 . . yes native no no . . . 50972 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50972 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMGQNTPWSSTELADAFI NAFMNEAGRTGAFTADQLDD MSTIGDTIKTAMDKMARSNK SSKGKLQALNMAFASSMAEI AAVEQGGLSVDAKTNAIADS LNSAFYQTTGAANPQFVNEI RSLINMFAQSSANEVSY ; _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'This protein (domain) functions to connect spider silk protein network by forming antiparallel dimer at acidic pH' 50972 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50972 1 2 . SER . 50972 1 3 . HIS . 50972 1 4 . MET . 50972 1 5 . GLY . 50972 1 6 . GLN . 50972 1 7 . ASN . 50972 1 8 . THR . 50972 1 9 . PRO . 50972 1 10 . TRP . 50972 1 11 . SER . 50972 1 12 . SER . 50972 1 13 . THR . 50972 1 14 . GLU . 50972 1 15 . LEU . 50972 1 16 . ALA . 50972 1 17 . ASP . 50972 1 18 . ALA . 50972 1 19 . PHE . 50972 1 20 . ILE . 50972 1 21 . ASN . 50972 1 22 . ALA . 50972 1 23 . PHE . 50972 1 24 . MET . 50972 1 25 . ASN . 50972 1 26 . GLU . 50972 1 27 . ALA . 50972 1 28 . GLY . 50972 1 29 . ARG . 50972 1 30 . THR . 50972 1 31 . GLY . 50972 1 32 . ALA . 50972 1 33 . PHE . 50972 1 34 . THR . 50972 1 35 . ALA . 50972 1 36 . ASP . 50972 1 37 . GLN . 50972 1 38 . LEU . 50972 1 39 . ASP . 50972 1 40 . ASP . 50972 1 41 . MET . 50972 1 42 . SER . 50972 1 43 . THR . 50972 1 44 . ILE . 50972 1 45 . GLY . 50972 1 46 . ASP . 50972 1 47 . THR . 50972 1 48 . ILE . 50972 1 49 . LYS . 50972 1 50 . THR . 50972 1 51 . ALA . 50972 1 52 . MET . 50972 1 53 . ASP . 50972 1 54 . LYS . 50972 1 55 . MET . 50972 1 56 . ALA . 50972 1 57 . ARG . 50972 1 58 . SER . 50972 1 59 . ASN . 50972 1 60 . LYS . 50972 1 61 . SER . 50972 1 62 . SER . 50972 1 63 . LYS . 50972 1 64 . GLY . 50972 1 65 . LYS . 50972 1 66 . LEU . 50972 1 67 . GLN . 50972 1 68 . ALA . 50972 1 69 . LEU . 50972 1 70 . ASN . 50972 1 71 . MET . 50972 1 72 . ALA . 50972 1 73 . PHE . 50972 1 74 . ALA . 50972 1 75 . SER . 50972 1 76 . SER . 50972 1 77 . MET . 50972 1 78 . ALA . 50972 1 79 . GLU . 50972 1 80 . ILE . 50972 1 81 . ALA . 50972 1 82 . ALA . 50972 1 83 . VAL . 50972 1 84 . GLU . 50972 1 85 . GLN . 50972 1 86 . GLY . 50972 1 87 . GLY . 50972 1 88 . LEU . 50972 1 89 . SER . 50972 1 90 . VAL . 50972 1 91 . ASP . 50972 1 92 . ALA . 50972 1 93 . LYS . 50972 1 94 . THR . 50972 1 95 . ASN . 50972 1 96 . ALA . 50972 1 97 . ILE . 50972 1 98 . ALA . 50972 1 99 . ASP . 50972 1 100 . SER . 50972 1 101 . LEU . 50972 1 102 . ASN . 50972 1 103 . SER . 50972 1 104 . ALA . 50972 1 105 . PHE . 50972 1 106 . TYR . 50972 1 107 . GLN . 50972 1 108 . THR . 50972 1 109 . THR . 50972 1 110 . GLY . 50972 1 111 . ALA . 50972 1 112 . ALA . 50972 1 113 . ASN . 50972 1 114 . PRO . 50972 1 115 . GLN . 50972 1 116 . PHE . 50972 1 117 . VAL . 50972 1 118 . ASN . 50972 1 119 . GLU . 50972 1 120 . ILE . 50972 1 121 . ARG . 50972 1 122 . SER . 50972 1 123 . LEU . 50972 1 124 . ILE . 50972 1 125 . ASN . 50972 1 126 . MET . 50972 1 127 . PHE . 50972 1 128 . ALA . 50972 1 129 . GLN . 50972 1 130 . SER . 50972 1 131 . SER . 50972 1 132 . ALA . 50972 1 133 . ASN . 50972 1 134 . GLU . 50972 1 135 . VAL . 50972 1 136 . SER . 50972 1 137 . TYR . 50972 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50972 1 . SER 2 2 50972 1 . HIS 3 3 50972 1 . MET 4 4 50972 1 . GLY 5 5 50972 1 . GLN 6 6 50972 1 . ASN 7 7 50972 1 . THR 8 8 50972 1 . PRO 9 9 50972 1 . TRP 10 10 50972 1 . SER 11 11 50972 1 . SER 12 12 50972 1 . THR 13 13 50972 1 . GLU 14 14 50972 1 . LEU 15 15 50972 1 . ALA 16 16 50972 1 . ASP 17 17 50972 1 . ALA 18 18 50972 1 . PHE 19 19 50972 1 . ILE 20 20 50972 1 . ASN 21 21 50972 1 . ALA 22 22 50972 1 . PHE 23 23 50972 1 . MET 24 24 50972 1 . ASN 25 25 50972 1 . GLU 26 26 50972 1 . ALA 27 27 50972 1 . GLY 28 28 50972 1 . ARG 29 29 50972 1 . THR 30 30 50972 1 . GLY 31 31 50972 1 . ALA 32 32 50972 1 . PHE 33 33 50972 1 . THR 34 34 50972 1 . ALA 35 35 50972 1 . ASP 36 36 50972 1 . GLN 37 37 50972 1 . LEU 38 38 50972 1 . ASP 39 39 50972 1 . ASP 40 40 50972 1 . MET 41 41 50972 1 . SER 42 42 50972 1 . THR 43 43 50972 1 . ILE 44 44 50972 1 . GLY 45 45 50972 1 . ASP 46 46 50972 1 . THR 47 47 50972 1 . ILE 48 48 50972 1 . LYS 49 49 50972 1 . THR 50 50 50972 1 . ALA 51 51 50972 1 . MET 52 52 50972 1 . ASP 53 53 50972 1 . LYS 54 54 50972 1 . MET 55 55 50972 1 . ALA 56 56 50972 1 . ARG 57 57 50972 1 . SER 58 58 50972 1 . ASN 59 59 50972 1 . LYS 60 60 50972 1 . SER 61 61 50972 1 . SER 62 62 50972 1 . LYS 63 63 50972 1 . GLY 64 64 50972 1 . LYS 65 65 50972 1 . LEU 66 66 50972 1 . GLN 67 67 50972 1 . ALA 68 68 50972 1 . LEU 69 69 50972 1 . ASN 70 70 50972 1 . MET 71 71 50972 1 . ALA 72 72 50972 1 . PHE 73 73 50972 1 . ALA 74 74 50972 1 . SER 75 75 50972 1 . SER 76 76 50972 1 . MET 77 77 50972 1 . ALA 78 78 50972 1 . GLU 79 79 50972 1 . ILE 80 80 50972 1 . ALA 81 81 50972 1 . ALA 82 82 50972 1 . VAL 83 83 50972 1 . GLU 84 84 50972 1 . GLN 85 85 50972 1 . GLY 86 86 50972 1 . GLY 87 87 50972 1 . LEU 88 88 50972 1 . SER 89 89 50972 1 . VAL 90 90 50972 1 . ASP 91 91 50972 1 . ALA 92 92 50972 1 . LYS 93 93 50972 1 . THR 94 94 50972 1 . ASN 95 95 50972 1 . ALA 96 96 50972 1 . ILE 97 97 50972 1 . ALA 98 98 50972 1 . ASP 99 99 50972 1 . SER 100 100 50972 1 . LEU 101 101 50972 1 . ASN 102 102 50972 1 . SER 103 103 50972 1 . ALA 104 104 50972 1 . PHE 105 105 50972 1 . TYR 106 106 50972 1 . GLN 107 107 50972 1 . THR 108 108 50972 1 . THR 109 109 50972 1 . GLY 110 110 50972 1 . ALA 111 111 50972 1 . ALA 112 112 50972 1 . ASN 113 113 50972 1 . PRO 114 114 50972 1 . GLN 115 115 50972 1 . PHE 116 116 50972 1 . VAL 117 117 50972 1 . ASN 118 118 50972 1 . GLU 119 119 50972 1 . ILE 120 120 50972 1 . ARG 121 121 50972 1 . SER 122 122 50972 1 . LEU 123 123 50972 1 . ILE 124 124 50972 1 . ASN 125 125 50972 1 . MET 126 126 50972 1 . PHE 127 127 50972 1 . ALA 128 128 50972 1 . GLN 129 129 50972 1 . SER 130 130 50972 1 . SER 131 131 50972 1 . ALA 132 132 50972 1 . ASN 133 133 50972 1 . GLU 134 134 50972 1 . VAL 135 135 50972 1 . SER 136 136 50972 1 . TYR 137 137 50972 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 50972 _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 . 2585209 organism . 'Triconephila clavipes' 'Triconephila clavipes' . . Eukaryota Metazoa Triconephila clavipes . . . . . . . . . . . . . 50972 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 50972 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET15b . . . 50972 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50972 _Sample.ID 1 _Sample.Name 'N-terminal domain of major ampullate spidroin 1 from Triconephila clavipes at pH 7' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; This sample is monomeric form of N-terminal domain of major ampullate spidroin 1 from Triconephila clavipes at pH 7 in the presence of 300 mM NaCl. ; _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 'N-terminal domain of major ampullate spidroin 1 from Triconephila clavipes' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.75 0.5 1 mM . . . . 50972 1 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 50972 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 50972 1 4 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 50972 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50972 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 50972 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'pH 7 + 300 mM NaCl' _Sample_condition_list.Details 'samples were in 10 mM phosphate buffer pH 7 in the presence of 300 mM NaCl' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . M 50972 1 pH 7 . pH 50972 1 pressure 1 . atm 50972 1 temperature 298 . K 50972 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50972 _Software.ID 1 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'processing non uniform sampling NMR data' . 50972 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50972 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'processing NMR data' . 50972 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50972 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50972 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50972 _Software.ID 4 _Software.Type . _Software.Name MAGRO _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50972 4 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 50972 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 50972 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 5 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 8 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 10 '3D (H)C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 11 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 12 '3D H(C)CH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 13 '3D HBHANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 15 '2D HB(CBCG)CD(HD)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 16 '2D HB(CBCGCD)CE(HE)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 17 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 18 '3D 13C-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 1 19 '2D HB(CB)CG(HG) asp/glu' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50972 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 50972 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50972 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50972 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50972 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 50972 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '1H, 13C, 15N NTD MaSp1 from Triconephila clavipes at pH 7' _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 2 '2D 1H-15N HSQC' . . . 50972 1 3 '2D 1H-13C HSQC aliphatic' . . . 50972 1 4 '2D 1H-13C HSQC aromatic' . . . 50972 1 5 '3D CBCACONH' . . . 50972 1 6 '3D HNCACB' . . . 50972 1 7 '3D HNCO' . . . 50972 1 8 '3D HN(CA)CO' . . . 50972 1 9 '3D H(CCO)NH' . . . 50972 1 10 '3D (H)C(CO)NH' . . . 50972 1 11 '3D (H)CCH-TOCSY' . . . 50972 1 12 '3D H(C)CH-TOCSY' . . . 50972 1 13 '3D HBHANH' . . . 50972 1 14 '3D HBHA(CO)NH' . . . 50972 1 15 '2D HB(CBCG)CD(HD)' . . . 50972 1 16 '2D HB(CBCGCD)CE(HE)' . . . 50972 1 17 '3D 15N-separated NOESY' . . . 50972 1 18 '3D 13C-separated NOESY' . . . 50972 1 19 '2D HB(CB)CG(HG) asp/glu' . . . 50972 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50972 1 4 $software_4 . . 50972 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 3 3 HIS HE1 H 1 7.798 0.030 . 1 . . . . . 3 HIS HE1 . 50972 1 2 . 1 . 1 3 3 HIS CE1 C 13 138.407 0.300 . 1 . . . . . 3 HIS CE1 . 50972 1 3 . 1 . 1 4 4 MET HA H 1 4.624 0.030 . 1 . . . . . 4 MET HA . 50972 1 4 . 1 . 1 4 4 MET HE1 H 1 2.070 0.030 . 1 . . . . . 4 MET HE . 50972 1 5 . 1 . 1 4 4 MET HE2 H 1 2.070 0.030 . 1 . . . . . 4 MET HE . 50972 1 6 . 1 . 1 4 4 MET HE3 H 1 2.070 0.030 . 1 . . . . . 4 MET HE . 50972 1 7 . 1 . 1 4 4 MET C C 13 176.747 0.300 . 1 . . . . . 4 MET C . 50972 1 8 . 1 . 1 4 4 MET CA C 13 56.085 0.300 . 1 . . . . . 4 MET CA . 50972 1 9 . 1 . 1 4 4 MET CB C 13 32.736 0.300 . 1 . . . . . 4 MET CB . 50972 1 10 . 1 . 1 4 4 MET CG C 13 32.216 0.300 . 1 . . . . . 4 MET CG . 50972 1 11 . 1 . 1 4 4 MET CE C 13 17.140 0.300 . 1 . . . . . 4 MET CE . 50972 1 12 . 1 . 1 5 5 GLY H H 1 8.470 0.030 . 1 . . . . . 5 GLY H . 50972 1 13 . 1 . 1 5 5 GLY HA2 H 1 3.862 0.030 . 2 . . . . . 5 GLY HA2 . 50972 1 14 . 1 . 1 5 5 GLY HA3 H 1 4.120 0.030 . 2 . . . . . 5 GLY HA3 . 50972 1 15 . 1 . 1 5 5 GLY C C 13 174.409 0.300 . 1 . . . . . 5 GLY C . 50972 1 16 . 1 . 1 5 5 GLY CA C 13 45.695 0.300 . 1 . . . . . 5 GLY CA . 50972 1 17 . 1 . 1 5 5 GLY N N 15 109.872 0.300 . 1 . . . . . 5 GLY N . 50972 1 18 . 1 . 1 6 6 GLN H H 1 8.146 0.030 . 1 . . . . . 6 GLN H . 50972 1 19 . 1 . 1 6 6 GLN HA H 1 4.293 0.030 . 1 . . . . . 6 GLN HA . 50972 1 20 . 1 . 1 6 6 GLN HB2 H 1 2.084 0.030 . 2 . . . . . 6 GLN HB2 . 50972 1 21 . 1 . 1 6 6 GLN HB3 H 1 1.924 0.030 . 2 . . . . . 6 GLN HB3 . 50972 1 22 . 1 . 1 6 6 GLN HG2 H 1 2.312 0.030 . 1 . . . . . 6 GLN HG2 . 50972 1 23 . 1 . 1 6 6 GLN HG3 H 1 2.312 0.030 . 1 . . . . . 6 GLN HG3 . 50972 1 24 . 1 . 1 6 6 GLN HE21 H 1 7.574 0.030 . 2 . . . . . 6 GLN HE21 . 50972 1 25 . 1 . 1 6 6 GLN C C 13 175.836 0.300 . 1 . . . . . 6 GLN C . 50972 1 26 . 1 . 1 6 6 GLN CA C 13 55.978 0.300 . 1 . . . . . 6 GLN CA . 50972 1 27 . 1 . 1 6 6 GLN CB C 13 29.381 0.300 . 1 . . . . . 6 GLN CB . 50972 1 28 . 1 . 1 6 6 GLN CG C 13 34.049 0.300 . 1 . . . . . 6 GLN CG . 50972 1 29 . 1 . 1 6 6 GLN N N 15 119.185 0.300 . 1 . . . . . 6 GLN N . 50972 1 30 . 1 . 1 7 7 ASN H H 1 8.555 0.030 . 1 . . . . . 7 ASN H . 50972 1 31 . 1 . 1 7 7 ASN HA H 1 4.665 0.030 . 1 . . . . . 7 ASN HA . 50972 1 32 . 1 . 1 7 7 ASN HB2 H 1 2.763 0.030 . 2 . . . . . 7 ASN HB2 . 50972 1 33 . 1 . 1 7 7 ASN HB3 H 1 2.630 0.030 . 2 . . . . . 7 ASN HB3 . 50972 1 34 . 1 . 1 7 7 ASN HD21 H 1 7.406 0.030 . 2 . . . . . 7 ASN HD21 . 50972 1 35 . 1 . 1 7 7 ASN HD22 H 1 6.744 0.030 . 2 . . . . . 7 ASN HD22 . 50972 1 36 . 1 . 1 7 7 ASN C C 13 173.905 0.300 . 1 . . . . . 7 ASN C . 50972 1 37 . 1 . 1 7 7 ASN CA C 13 53.183 0.300 . 1 . . . . . 7 ASN CA . 50972 1 38 . 1 . 1 7 7 ASN CB C 13 38.198 0.300 . 1 . . . . . 7 ASN CB . 50972 1 39 . 1 . 1 7 7 ASN N N 15 119.421 0.300 . 1 . . . . . 7 ASN N . 50972 1 40 . 1 . 1 7 7 ASN ND2 N 15 111.752 0.300 . 1 . . . . . 7 ASN ND2 . 50972 1 41 . 1 . 1 8 8 THR H H 1 7.520 0.030 . 1 . . . . . 8 THR H . 50972 1 42 . 1 . 1 8 8 THR HA H 1 4.303 0.030 . 1 . . . . . 8 THR HA . 50972 1 43 . 1 . 1 8 8 THR HB H 1 3.923 0.030 . 1 . . . . . 8 THR HB . 50972 1 44 . 1 . 1 8 8 THR HG21 H 1 1.103 0.030 . 1 . . . . . 8 THR HG2 . 50972 1 45 . 1 . 1 8 8 THR HG22 H 1 1.103 0.030 . 1 . . . . . 8 THR HG2 . 50972 1 46 . 1 . 1 8 8 THR HG23 H 1 1.103 0.030 . 1 . . . . . 8 THR HG2 . 50972 1 47 . 1 . 1 8 8 THR C C 13 172.257 0.300 . 1 . . . . . 8 THR C . 50972 1 48 . 1 . 1 8 8 THR CA C 13 57.417 0.300 . 1 . . . . . 8 THR CA . 50972 1 49 . 1 . 1 8 8 THR CB C 13 69.196 0.300 . 1 . . . . . 8 THR CB . 50972 1 50 . 1 . 1 8 8 THR CG2 C 13 20.796 0.300 . 1 . . . . . 8 THR CG2 . 50972 1 51 . 1 . 1 8 8 THR N N 15 113.128 0.300 . 1 . . . . . 8 THR N . 50972 1 52 . 1 . 1 9 9 PRO HA H 1 3.856 0.030 . 1 . . . . . 9 PRO HA . 50972 1 53 . 1 . 1 9 9 PRO HB2 H 1 0.319 0.030 . 1 . . . . . 9 PRO HB2 . 50972 1 54 . 1 . 1 9 9 PRO HB3 H 1 0.319 0.030 . 1 . . . . . 9 PRO HB3 . 50972 1 55 . 1 . 1 9 9 PRO HG2 H 1 -0.780 0.030 . 2 . . . . . 9 PRO HG2 . 50972 1 56 . 1 . 1 9 9 PRO HG3 H 1 -1.133 0.030 . 2 . . . . . 9 PRO HG3 . 50972 1 57 . 1 . 1 9 9 PRO HD2 H 1 2.067 0.030 . 1 . . . . . 9 PRO HD2 . 50972 1 58 . 1 . 1 9 9 PRO HD3 H 1 2.067 0.030 . 1 . . . . . 9 PRO HD3 . 50972 1 59 . 1 . 1 9 9 PRO C C 13 173.497 0.300 . 1 . . . . . 9 PRO C . 50972 1 60 . 1 . 1 9 9 PRO CA C 13 62.652 0.300 . 1 . . . . . 9 PRO CA . 50972 1 61 . 1 . 1 9 9 PRO CB C 13 30.461 0.300 . 1 . . . . . 9 PRO CB . 50972 1 62 . 1 . 1 9 9 PRO CG C 13 24.655 0.300 . 1 . . . . . 9 PRO CG . 50972 1 63 . 1 . 1 9 9 PRO CD C 13 49.697 0.300 . 1 . . . . . 9 PRO CD . 50972 1 64 . 1 . 1 10 10 TRP H H 1 6.868 0.030 . 1 . . . . . 10 TRP H . 50972 1 65 . 1 . 1 10 10 TRP HA H 1 5.094 0.030 . 1 . . . . . 10 TRP HA . 50972 1 66 . 1 . 1 10 10 TRP HB2 H 1 3.501 0.030 . 2 . . . . . 10 TRP HB2 . 50972 1 67 . 1 . 1 10 10 TRP HB3 H 1 2.916 0.030 . 2 . . . . . 10 TRP HB3 . 50972 1 68 . 1 . 1 10 10 TRP HD1 H 1 7.227 0.030 . 1 . . . . . 10 TRP HD1 . 50972 1 69 . 1 . 1 10 10 TRP HE1 H 1 10.472 0.030 . 1 . . . . . 10 TRP HE1 . 50972 1 70 . 1 . 1 10 10 TRP HE3 H 1 7.071 0.030 . 1 . . . . . 10 TRP HE3 . 50972 1 71 . 1 . 1 10 10 TRP HZ2 H 1 7.048 0.030 . 1 . . . . . 10 TRP HZ2 . 50972 1 72 . 1 . 1 10 10 TRP HZ3 H 1 6.617 0.030 . 1 . . . . . 10 TRP HZ3 . 50972 1 73 . 1 . 1 10 10 TRP HH2 H 1 6.840 0.030 . 1 . . . . . 10 TRP HH2 . 50972 1 74 . 1 . 1 10 10 TRP C C 13 176.735 0.300 . 1 . . . . . 10 TRP C . 50972 1 75 . 1 . 1 10 10 TRP CA C 13 52.613 0.300 . 1 . . . . . 10 TRP CA . 50972 1 76 . 1 . 1 10 10 TRP CB C 13 29.935 0.300 . 1 . . . . . 10 TRP CB . 50972 1 77 . 1 . 1 10 10 TRP N N 15 111.896 0.300 . 1 . . . . . 10 TRP N . 50972 1 78 . 1 . 1 10 10 TRP NE1 N 15 127.878 0.300 . 1 . . . . . 10 TRP NE1 . 50972 1 79 . 1 . 1 11 11 SER H H 1 7.297 0.030 . 1 . . . . . 11 SER H . 50972 1 80 . 1 . 1 11 11 SER HA H 1 4.094 0.030 . 1 . . . . . 11 SER HA . 50972 1 81 . 1 . 1 11 11 SER HB2 H 1 3.978 0.030 . 2 . . . . . 11 SER HB2 . 50972 1 82 . 1 . 1 11 11 SER HB3 H 1 3.875 0.030 . 2 . . . . . 11 SER HB3 . 50972 1 83 . 1 . 1 11 11 SER C C 13 174.305 0.300 . 1 . . . . . 11 SER C . 50972 1 84 . 1 . 1 11 11 SER CA C 13 59.843 0.300 . 1 . . . . . 11 SER CA . 50972 1 85 . 1 . 1 11 11 SER CB C 13 63.435 0.300 . 1 . . . . . 11 SER CB . 50972 1 86 . 1 . 1 11 11 SER N N 15 111.191 0.300 . 1 . . . . . 11 SER N . 50972 1 87 . 1 . 1 12 12 SER H H 1 7.424 0.030 . 1 . . . . . 12 SER H . 50972 1 88 . 1 . 1 12 12 SER HA H 1 4.083 0.030 . 1 . . . . . 12 SER HA . 50972 1 89 . 1 . 1 12 12 SER HB2 H 1 4.288 0.030 . 2 . . . . . 12 SER HB2 . 50972 1 90 . 1 . 1 12 12 SER HB3 H 1 4.062 0.030 . 2 . . . . . 12 SER HB3 . 50972 1 91 . 1 . 1 12 12 SER C C 13 174.375 0.300 . 1 . . . . . 12 SER C . 50972 1 92 . 1 . 1 12 12 SER CA C 13 59.778 0.300 . 1 . . . . . 12 SER CA . 50972 1 93 . 1 . 1 12 12 SER CB C 13 65.709 0.300 . 1 . . . . . 12 SER CB . 50972 1 94 . 1 . 1 12 12 SER N N 15 111.480 0.300 . 1 . . . . . 12 SER N . 50972 1 95 . 1 . 1 13 13 THR H H 1 9.114 0.030 . 1 . . . . . 13 THR H . 50972 1 96 . 1 . 1 13 13 THR HA H 1 3.978 0.030 . 1 . . . . . 13 THR HA . 50972 1 97 . 1 . 1 13 13 THR HB H 1 4.198 0.030 . 1 . . . . . 13 THR HB . 50972 1 98 . 1 . 1 13 13 THR HG21 H 1 1.371 0.030 . 1 . . . . . 13 THR HG2 . 50972 1 99 . 1 . 1 13 13 THR HG22 H 1 1.371 0.030 . 1 . . . . . 13 THR HG2 . 50972 1 100 . 1 . 1 13 13 THR HG23 H 1 1.371 0.030 . 1 . . . . . 13 THR HG2 . 50972 1 101 . 1 . 1 13 13 THR C C 13 176.305 0.300 . 1 . . . . . 13 THR C . 50972 1 102 . 1 . 1 13 13 THR CA C 13 66.309 0.300 . 1 . . . . . 13 THR CA . 50972 1 103 . 1 . 1 13 13 THR CB C 13 68.348 0.300 . 1 . . . . . 13 THR CB . 50972 1 104 . 1 . 1 13 13 THR CG2 C 13 22.427 0.300 . 1 . . . . . 13 THR CG2 . 50972 1 105 . 1 . 1 13 13 THR N N 15 117.526 0.300 . 1 . . . . . 13 THR N . 50972 1 106 . 1 . 1 14 14 GLU H H 1 8.703 0.030 . 1 . . . . . 14 GLU H . 50972 1 107 . 1 . 1 14 14 GLU HA H 1 4.159 0.030 . 1 . . . . . 14 GLU HA . 50972 1 108 . 1 . 1 14 14 GLU HB2 H 1 1.966 0.030 . 2 . . . . . 14 GLU HB2 . 50972 1 109 . 1 . 1 14 14 GLU HB3 H 1 2.082 0.030 . 2 . . . . . 14 GLU HB3 . 50972 1 110 . 1 . 1 14 14 GLU HG2 H 1 2.410 0.030 . 2 . . . . . 14 GLU HG2 . 50972 1 111 . 1 . 1 14 14 GLU HG3 H 1 2.328 0.030 . 2 . . . . . 14 GLU HG3 . 50972 1 112 . 1 . 1 14 14 GLU C C 13 179.750 0.300 . 1 . . . . . 14 GLU C . 50972 1 113 . 1 . 1 14 14 GLU CA C 13 60.190 0.300 . 1 . . . . . 14 GLU CA . 50972 1 114 . 1 . 1 14 14 GLU CB C 13 29.098 0.300 . 1 . . . . . 14 GLU CB . 50972 1 115 . 1 . 1 14 14 GLU CG C 13 36.716 0.300 . 1 . . . . . 14 GLU CG . 50972 1 116 . 1 . 1 14 14 GLU N N 15 121.318 0.300 . 1 . . . . . 14 GLU N . 50972 1 117 . 1 . 1 15 15 LEU H H 1 7.883 0.030 . 1 . . . . . 15 LEU H . 50972 1 118 . 1 . 1 15 15 LEU HA H 1 4.247 0.030 . 1 . . . . . 15 LEU HA . 50972 1 119 . 1 . 1 15 15 LEU HB2 H 1 1.378 0.030 . 2 . . . . . 15 LEU HB2 . 50972 1 120 . 1 . 1 15 15 LEU HB3 H 1 1.710 0.030 . 2 . . . . . 15 LEU HB3 . 50972 1 121 . 1 . 1 15 15 LEU HG H 1 1.575 0.030 . 1 . . . . . 15 LEU HG . 50972 1 122 . 1 . 1 15 15 LEU HD11 H 1 0.788 0.030 . 2 . . . . . 15 LEU HD1 . 50972 1 123 . 1 . 1 15 15 LEU HD12 H 1 0.788 0.030 . 2 . . . . . 15 LEU HD1 . 50972 1 124 . 1 . 1 15 15 LEU HD13 H 1 0.788 0.030 . 2 . . . . . 15 LEU HD1 . 50972 1 125 . 1 . 1 15 15 LEU HD21 H 1 0.849 0.030 . 2 . . . . . 15 LEU HD2 . 50972 1 126 . 1 . 1 15 15 LEU HD22 H 1 0.849 0.030 . 2 . . . . . 15 LEU HD2 . 50972 1 127 . 1 . 1 15 15 LEU HD23 H 1 0.849 0.030 . 2 . . . . . 15 LEU HD2 . 50972 1 128 . 1 . 1 15 15 LEU C C 13 178.026 0.300 . 1 . . . . . 15 LEU C . 50972 1 129 . 1 . 1 15 15 LEU CA C 13 57.458 0.300 . 1 . . . . . 15 LEU CA . 50972 1 130 . 1 . 1 15 15 LEU CB C 13 41.011 0.300 . 1 . . . . . 15 LEU CB . 50972 1 131 . 1 . 1 15 15 LEU CG C 13 27.227 0.300 . 1 . . . . . 15 LEU CG . 50972 1 132 . 1 . 1 15 15 LEU CD1 C 13 26.182 0.300 . 2 . . . . . 15 LEU CD1 . 50972 1 133 . 1 . 1 15 15 LEU CD2 C 13 23.082 0.300 . 2 . . . . . 15 LEU CD2 . 50972 1 134 . 1 . 1 15 15 LEU N N 15 123.224 0.300 . 1 . . . . . 15 LEU N . 50972 1 135 . 1 . 1 16 16 ALA H H 1 8.317 0.030 . 1 . . . . . 16 ALA H . 50972 1 136 . 1 . 1 16 16 ALA HA H 1 4.090 0.030 . 1 . . . . . 16 ALA HA . 50972 1 137 . 1 . 1 16 16 ALA HB1 H 1 1.731 0.030 . 1 . . . . . 16 ALA HB . 50972 1 138 . 1 . 1 16 16 ALA HB2 H 1 1.731 0.030 . 1 . . . . . 16 ALA HB . 50972 1 139 . 1 . 1 16 16 ALA HB3 H 1 1.731 0.030 . 1 . . . . . 16 ALA HB . 50972 1 140 . 1 . 1 16 16 ALA C C 13 179.822 0.300 . 1 . . . . . 16 ALA C . 50972 1 141 . 1 . 1 16 16 ALA CA C 13 56.402 0.300 . 1 . . . . . 16 ALA CA . 50972 1 142 . 1 . 1 16 16 ALA CB C 13 19.000 0.300 . 1 . . . . . 16 ALA CB . 50972 1 143 . 1 . 1 16 16 ALA N N 15 123.257 0.300 . 1 . . . . . 16 ALA N . 50972 1 144 . 1 . 1 17 17 ASP H H 1 8.206 0.030 . 1 . . . . . 17 ASP H . 50972 1 145 . 1 . 1 17 17 ASP HA H 1 4.413 0.030 . 1 . . . . . 17 ASP HA . 50972 1 146 . 1 . 1 17 17 ASP HB2 H 1 2.695 0.030 . 2 . . . . . 17 ASP HB2 . 50972 1 147 . 1 . 1 17 17 ASP HB3 H 1 2.823 0.030 . 2 . . . . . 17 ASP HB3 . 50972 1 148 . 1 . 1 17 17 ASP C C 13 178.631 0.300 . 1 . . . . . 17 ASP C . 50972 1 149 . 1 . 1 17 17 ASP CA C 13 57.455 0.300 . 1 . . . . . 17 ASP CA . 50972 1 150 . 1 . 1 17 17 ASP CB C 13 41.885 0.300 . 1 . . . . . 17 ASP CB . 50972 1 151 . 1 . 1 17 17 ASP N N 15 116.048 0.300 . 1 . . . . . 17 ASP N . 50972 1 152 . 1 . 1 18 18 ALA H H 1 7.792 0.030 . 1 . . . . . 18 ALA H . 50972 1 153 . 1 . 1 18 18 ALA HA H 1 4.180 0.030 . 1 . . . . . 18 ALA HA . 50972 1 154 . 1 . 1 18 18 ALA HB1 H 1 1.603 0.030 . 1 . . . . . 18 ALA HB . 50972 1 155 . 1 . 1 18 18 ALA HB2 H 1 1.603 0.030 . 1 . . . . . 18 ALA HB . 50972 1 156 . 1 . 1 18 18 ALA HB3 H 1 1.603 0.030 . 1 . . . . . 18 ALA HB . 50972 1 157 . 1 . 1 18 18 ALA C C 13 180.966 0.300 . 1 . . . . . 18 ALA C . 50972 1 158 . 1 . 1 18 18 ALA CA C 13 55.232 0.300 . 1 . . . . . 18 ALA CA . 50972 1 159 . 1 . 1 18 18 ALA CB C 13 18.379 0.300 . 1 . . . . . 18 ALA CB . 50972 1 160 . 1 . 1 18 18 ALA N N 15 121.868 0.300 . 1 . . . . . 18 ALA N . 50972 1 161 . 1 . 1 19 19 PHE H H 1 9.479 0.030 . 1 . . . . . 19 PHE H . 50972 1 162 . 1 . 1 19 19 PHE HA H 1 3.965 0.030 . 1 . . . . . 19 PHE HA . 50972 1 163 . 1 . 1 19 19 PHE HB2 H 1 3.109 0.030 . 2 . . . . . 19 PHE HB2 . 50972 1 164 . 1 . 1 19 19 PHE HB3 H 1 2.910 0.030 . 2 . . . . . 19 PHE HB3 . 50972 1 165 . 1 . 1 19 19 PHE HD1 H 1 6.559 0.030 . 1 . . . . . 19 PHE HD1 . 50972 1 166 . 1 . 1 19 19 PHE HD2 H 1 6.559 0.030 . 1 . . . . . 19 PHE HD2 . 50972 1 167 . 1 . 1 19 19 PHE HE1 H 1 6.898 0.030 . 1 . . . . . 19 PHE HE1 . 50972 1 168 . 1 . 1 19 19 PHE HE2 H 1 6.898 0.030 . 1 . . . . . 19 PHE HE2 . 50972 1 169 . 1 . 1 19 19 PHE HZ H 1 5.990 0.030 . 1 . . . . . 19 PHE HZ . 50972 1 170 . 1 . 1 19 19 PHE C C 13 176.823 0.300 . 1 . . . . . 19 PHE C . 50972 1 171 . 1 . 1 19 19 PHE CA C 13 62.097 0.300 . 1 . . . . . 19 PHE CA . 50972 1 172 . 1 . 1 19 19 PHE CB C 13 39.695 0.300 . 1 . . . . . 19 PHE CB . 50972 1 173 . 1 . 1 19 19 PHE CD1 C 13 130.013 0.300 . 1 . . . . . 19 PHE CD1 . 50972 1 174 . 1 . 1 19 19 PHE CD2 C 13 130.013 0.300 . 1 . . . . . 19 PHE CD2 . 50972 1 175 . 1 . 1 19 19 PHE CE1 C 13 131.446 0.300 . 1 . . . . . 19 PHE CE1 . 50972 1 176 . 1 . 1 19 19 PHE CE2 C 13 131.446 0.300 . 1 . . . . . 19 PHE CE2 . 50972 1 177 . 1 . 1 19 19 PHE N N 15 121.281 0.300 . 1 . . . . . 19 PHE N . 50972 1 178 . 1 . 1 20 20 ILE H H 1 8.972 0.030 . 1 . . . . . 20 ILE H . 50972 1 179 . 1 . 1 20 20 ILE HA H 1 3.663 0.030 . 1 . . . . . 20 ILE HA . 50972 1 180 . 1 . 1 20 20 ILE HB H 1 2.314 0.030 . 1 . . . . . 20 ILE HB . 50972 1 181 . 1 . 1 20 20 ILE HG12 H 1 1.601 0.030 . 2 . . . . . 20 ILE HG12 . 50972 1 182 . 1 . 1 20 20 ILE HG13 H 1 2.121 0.030 . 2 . . . . . 20 ILE HG13 . 50972 1 183 . 1 . 1 20 20 ILE HG21 H 1 1.045 0.030 . 1 . . . . . 20 ILE HG2 . 50972 1 184 . 1 . 1 20 20 ILE HG22 H 1 1.045 0.030 . 1 . . . . . 20 ILE HG2 . 50972 1 185 . 1 . 1 20 20 ILE HG23 H 1 1.045 0.030 . 1 . . . . . 20 ILE HG2 . 50972 1 186 . 1 . 1 20 20 ILE HD11 H 1 1.101 0.030 . 1 . . . . . 20 ILE HD1 . 50972 1 187 . 1 . 1 20 20 ILE HD12 H 1 1.101 0.030 . 1 . . . . . 20 ILE HD1 . 50972 1 188 . 1 . 1 20 20 ILE HD13 H 1 1.101 0.030 . 1 . . . . . 20 ILE HD1 . 50972 1 189 . 1 . 1 20 20 ILE C C 13 178.036 0.300 . 1 . . . . . 20 ILE C . 50972 1 190 . 1 . 1 20 20 ILE CA C 13 64.440 0.300 . 1 . . . . . 20 ILE CA . 50972 1 191 . 1 . 1 20 20 ILE CB C 13 36.710 0.300 . 1 . . . . . 20 ILE CB . 50972 1 192 . 1 . 1 20 20 ILE CG1 C 13 29.987 0.300 . 1 . . . . . 20 ILE CG1 . 50972 1 193 . 1 . 1 20 20 ILE CG2 C 13 18.184 0.300 . 1 . . . . . 20 ILE CG2 . 50972 1 194 . 1 . 1 20 20 ILE CD1 C 13 12.528 0.300 . 1 . . . . . 20 ILE CD1 . 50972 1 195 . 1 . 1 20 20 ILE N N 15 120.167 0.300 . 1 . . . . . 20 ILE N . 50972 1 196 . 1 . 1 21 21 ASN H H 1 8.267 0.030 . 1 . . . . . 21 ASN H . 50972 1 197 . 1 . 1 21 21 ASN HA H 1 4.455 0.030 . 1 . . . . . 21 ASN HA . 50972 1 198 . 1 . 1 21 21 ASN HB2 H 1 2.880 0.030 . 2 . . . . . 21 ASN HB2 . 50972 1 199 . 1 . 1 21 21 ASN HB3 H 1 2.758 0.030 . 2 . . . . . 21 ASN HB3 . 50972 1 200 . 1 . 1 21 21 ASN HD21 H 1 7.535 0.030 . 2 . . . . . 21 ASN HD21 . 50972 1 201 . 1 . 1 21 21 ASN HD22 H 1 6.887 0.030 . 2 . . . . . 21 ASN HD22 . 50972 1 202 . 1 . 1 21 21 ASN C C 13 177.784 0.300 . 1 . . . . . 21 ASN C . 50972 1 203 . 1 . 1 21 21 ASN CA C 13 57.004 0.300 . 1 . . . . . 21 ASN CA . 50972 1 204 . 1 . 1 21 21 ASN CB C 13 38.459 0.300 . 1 . . . . . 21 ASN CB . 50972 1 205 . 1 . 1 21 21 ASN N N 15 118.522 0.300 . 1 . . . . . 21 ASN N . 50972 1 206 . 1 . 1 21 21 ASN ND2 N 15 113.361 0.300 . 1 . . . . . 21 ASN ND2 . 50972 1 207 . 1 . 1 22 22 ALA H H 1 8.088 0.030 . 1 . . . . . 22 ALA H . 50972 1 208 . 1 . 1 22 22 ALA HA H 1 4.229 0.030 . 1 . . . . . 22 ALA HA . 50972 1 209 . 1 . 1 22 22 ALA HB1 H 1 1.413 0.030 . 1 . . . . . 22 ALA HB . 50972 1 210 . 1 . 1 22 22 ALA HB2 H 1 1.413 0.030 . 1 . . . . . 22 ALA HB . 50972 1 211 . 1 . 1 22 22 ALA HB3 H 1 1.413 0.030 . 1 . . . . . 22 ALA HB . 50972 1 212 . 1 . 1 22 22 ALA C C 13 179.716 0.300 . 1 . . . . . 22 ALA C . 50972 1 213 . 1 . 1 22 22 ALA CA C 13 55.203 0.300 . 1 . . . . . 22 ALA CA . 50972 1 214 . 1 . 1 22 22 ALA CB C 13 17.777 0.300 . 1 . . . . . 22 ALA CB . 50972 1 215 . 1 . 1 22 22 ALA N N 15 122.731 0.300 . 1 . . . . . 22 ALA N . 50972 1 216 . 1 . 1 23 23 PHE H H 1 8.813 0.030 . 1 . . . . . 23 PHE H . 50972 1 217 . 1 . 1 23 23 PHE HA H 1 3.827 0.030 . 1 . . . . . 23 PHE HA . 50972 1 218 . 1 . 1 23 23 PHE HB2 H 1 3.148 0.030 . 2 . . . . . 23 PHE HB2 . 50972 1 219 . 1 . 1 23 23 PHE HB3 H 1 2.409 0.030 . 2 . . . . . 23 PHE HB3 . 50972 1 220 . 1 . 1 23 23 PHE HD1 H 1 6.892 0.030 . 1 . . . . . 23 PHE HD1 . 50972 1 221 . 1 . 1 23 23 PHE HD2 H 1 6.892 0.030 . 1 . . . . . 23 PHE HD2 . 50972 1 222 . 1 . 1 23 23 PHE HE1 H 1 7.495 0.030 . 1 . . . . . 23 PHE HE1 . 50972 1 223 . 1 . 1 23 23 PHE HE2 H 1 7.495 0.030 . 1 . . . . . 23 PHE HE2 . 50972 1 224 . 1 . 1 23 23 PHE HZ H 1 7.231 0.030 . 1 . . . . . 23 PHE HZ . 50972 1 225 . 1 . 1 23 23 PHE C C 13 176.195 0.300 . 1 . . . . . 23 PHE C . 50972 1 226 . 1 . 1 23 23 PHE CA C 13 61.164 0.300 . 1 . . . . . 23 PHE CA . 50972 1 227 . 1 . 1 23 23 PHE CB C 13 38.426 0.300 . 1 . . . . . 23 PHE CB . 50972 1 228 . 1 . 1 23 23 PHE CE1 C 13 131.449 0.300 . 1 . . . . . 23 PHE CE1 . 50972 1 229 . 1 . 1 23 23 PHE CE2 C 13 131.449 0.300 . 1 . . . . . 23 PHE CE2 . 50972 1 230 . 1 . 1 23 23 PHE N N 15 120.580 0.300 . 1 . . . . . 23 PHE N . 50972 1 231 . 1 . 1 24 24 MET H H 1 8.734 0.030 . 1 . . . . . 24 MET H . 50972 1 232 . 1 . 1 24 24 MET HA H 1 3.948 0.030 . 1 . . . . . 24 MET HA . 50972 1 233 . 1 . 1 24 24 MET HB2 H 1 2.268 0.030 . 2 . . . . . 24 MET HB2 . 50972 1 234 . 1 . 1 24 24 MET HB3 H 1 1.985 0.030 . 2 . . . . . 24 MET HB3 . 50972 1 235 . 1 . 1 24 24 MET HG2 H 1 2.889 0.030 . 2 . . . . . 24 MET HG2 . 50972 1 236 . 1 . 1 24 24 MET HG3 H 1 2.629 0.030 . 2 . . . . . 24 MET HG3 . 50972 1 237 . 1 . 1 24 24 MET HE1 H 1 2.019 0.030 . 1 . . . . . 24 MET HE . 50972 1 238 . 1 . 1 24 24 MET HE2 H 1 2.019 0.030 . 1 . . . . . 24 MET HE . 50972 1 239 . 1 . 1 24 24 MET HE3 H 1 2.019 0.030 . 1 . . . . . 24 MET HE . 50972 1 240 . 1 . 1 24 24 MET C C 13 180.181 0.300 . 1 . . . . . 24 MET C . 50972 1 241 . 1 . 1 24 24 MET CA C 13 56.646 0.300 . 1 . . . . . 24 MET CA . 50972 1 242 . 1 . 1 24 24 MET CB C 13 30.499 0.300 . 1 . . . . . 24 MET CB . 50972 1 243 . 1 . 1 24 24 MET CG C 13 31.350 0.300 . 1 . . . . . 24 MET CG . 50972 1 244 . 1 . 1 24 24 MET CE C 13 15.678 0.300 . 1 . . . . . 24 MET CE . 50972 1 245 . 1 . 1 24 24 MET N N 15 118.537 0.300 . 1 . . . . . 24 MET N . 50972 1 246 . 1 . 1 25 25 ASN H H 1 7.982 0.030 . 1 . . . . . 25 ASN H . 50972 1 247 . 1 . 1 25 25 ASN HA H 1 4.385 0.030 . 1 . . . . . 25 ASN HA . 50972 1 248 . 1 . 1 25 25 ASN HB2 H 1 2.956 0.030 . 2 . . . . . 25 ASN HB2 . 50972 1 249 . 1 . 1 25 25 ASN HB3 H 1 2.836 0.030 . 2 . . . . . 25 ASN HB3 . 50972 1 250 . 1 . 1 25 25 ASN HD21 H 1 7.621 0.030 . 2 . . . . . 25 ASN HD21 . 50972 1 251 . 1 . 1 25 25 ASN C C 13 178.483 0.300 . 1 . . . . . 25 ASN C . 50972 1 252 . 1 . 1 25 25 ASN CA C 13 56.279 0.300 . 1 . . . . . 25 ASN CA . 50972 1 253 . 1 . 1 25 25 ASN CB C 13 38.444 0.300 . 1 . . . . . 25 ASN CB . 50972 1 254 . 1 . 1 25 25 ASN N N 15 119.558 0.300 . 1 . . . . . 25 ASN N . 50972 1 255 . 1 . 1 26 26 GLU H H 1 8.115 0.030 . 1 . . . . . 26 GLU H . 50972 1 256 . 1 . 1 26 26 GLU HA H 1 4.093 0.030 . 1 . . . . . 26 GLU HA . 50972 1 257 . 1 . 1 26 26 GLU HB2 H 1 2.055 0.030 . 1 . . . . . 26 GLU HB2 . 50972 1 258 . 1 . 1 26 26 GLU HB3 H 1 2.055 0.030 . 1 . . . . . 26 GLU HB3 . 50972 1 259 . 1 . 1 26 26 GLU HG2 H 1 2.536 0.030 . 2 . . . . . 26 GLU HG2 . 50972 1 260 . 1 . 1 26 26 GLU HG3 H 1 2.276 0.030 . 2 . . . . . 26 GLU HG3 . 50972 1 261 . 1 . 1 26 26 GLU C C 13 179.107 0.300 . 1 . . . . . 26 GLU C . 50972 1 262 . 1 . 1 26 26 GLU CA C 13 58.996 0.300 . 1 . . . . . 26 GLU CA . 50972 1 263 . 1 . 1 26 26 GLU CB C 13 28.629 0.300 . 1 . . . . . 26 GLU CB . 50972 1 264 . 1 . 1 26 26 GLU CG C 13 35.693 0.300 . 1 . . . . . 26 GLU CG . 50972 1 265 . 1 . 1 26 26 GLU N N 15 119.953 0.300 . 1 . . . . . 26 GLU N . 50972 1 266 . 1 . 1 27 27 ALA H H 1 9.104 0.030 . 1 . . . . . 27 ALA H . 50972 1 267 . 1 . 1 27 27 ALA HA H 1 4.128 0.030 . 1 . . . . . 27 ALA HA . 50972 1 268 . 1 . 1 27 27 ALA HB1 H 1 0.812 0.030 . 1 . . . . . 27 ALA HB . 50972 1 269 . 1 . 1 27 27 ALA HB2 H 1 0.812 0.030 . 1 . . . . . 27 ALA HB . 50972 1 270 . 1 . 1 27 27 ALA HB3 H 1 0.812 0.030 . 1 . . . . . 27 ALA HB . 50972 1 271 . 1 . 1 27 27 ALA C C 13 183.067 0.300 . 1 . . . . . 27 ALA C . 50972 1 272 . 1 . 1 27 27 ALA CA C 13 55.454 0.300 . 1 . . . . . 27 ALA CA . 50972 1 273 . 1 . 1 27 27 ALA CB C 13 16.781 0.300 . 1 . . . . . 27 ALA CB . 50972 1 274 . 1 . 1 27 27 ALA N N 15 123.902 0.300 . 1 . . . . . 27 ALA N . 50972 1 275 . 1 . 1 28 28 GLY H H 1 8.079 0.030 . 1 . . . . . 28 GLY H . 50972 1 276 . 1 . 1 28 28 GLY HA2 H 1 4.105 0.030 . 2 . . . . . 28 GLY HA2 . 50972 1 277 . 1 . 1 28 28 GLY HA3 H 1 3.909 0.030 . 2 . . . . . 28 GLY HA3 . 50972 1 278 . 1 . 1 28 28 GLY C C 13 175.253 0.300 . 1 . . . . . 28 GLY C . 50972 1 279 . 1 . 1 28 28 GLY CA C 13 47.427 0.300 . 1 . . . . . 28 GLY CA . 50972 1 280 . 1 . 1 28 28 GLY N N 15 105.606 0.300 . 1 . . . . . 28 GLY N . 50972 1 281 . 1 . 1 29 29 ARG H H 1 7.584 0.030 . 1 . . . . . 29 ARG H . 50972 1 282 . 1 . 1 29 29 ARG HA H 1 4.265 0.030 . 1 . . . . . 29 ARG HA . 50972 1 283 . 1 . 1 29 29 ARG HB2 H 1 2.014 0.030 . 1 . . . . . 29 ARG HB2 . 50972 1 284 . 1 . 1 29 29 ARG HB3 H 1 2.014 0.030 . 1 . . . . . 29 ARG HB3 . 50972 1 285 . 1 . 1 29 29 ARG HG2 H 1 1.830 0.030 . 2 . . . . . 29 ARG HG2 . 50972 1 286 . 1 . 1 29 29 ARG HG3 H 1 1.691 0.030 . 2 . . . . . 29 ARG HG3 . 50972 1 287 . 1 . 1 29 29 ARG HD2 H 1 3.195 0.030 . 1 . . . . . 29 ARG HD2 . 50972 1 288 . 1 . 1 29 29 ARG HD3 H 1 3.195 0.030 . 1 . . . . . 29 ARG HD3 . 50972 1 289 . 1 . 1 29 29 ARG C C 13 178.551 0.300 . 1 . . . . . 29 ARG C . 50972 1 290 . 1 . 1 29 29 ARG CA C 13 57.969 0.300 . 1 . . . . . 29 ARG CA . 50972 1 291 . 1 . 1 29 29 ARG CB C 13 30.912 0.300 . 1 . . . . . 29 ARG CB . 50972 1 292 . 1 . 1 29 29 ARG CG C 13 28.118 0.300 . 1 . . . . . 29 ARG CG . 50972 1 293 . 1 . 1 29 29 ARG CD C 13 43.544 0.300 . 1 . . . . . 29 ARG CD . 50972 1 294 . 1 . 1 29 29 ARG N N 15 120.631 0.300 . 1 . . . . . 29 ARG N . 50972 1 295 . 1 . 1 30 30 THR H H 1 7.654 0.030 . 1 . . . . . 30 THR H . 50972 1 296 . 1 . 1 30 30 THR HA H 1 4.123 0.030 . 1 . . . . . 30 THR HA . 50972 1 297 . 1 . 1 30 30 THR HB H 1 4.256 0.030 . 1 . . . . . 30 THR HB . 50972 1 298 . 1 . 1 30 30 THR HG1 H 1 5.111 0.030 . 1 . . . . . 30 THR HG1 . 50972 1 299 . 1 . 1 30 30 THR HG21 H 1 1.600 0.030 . 1 . . . . . 30 THR HG2 . 50972 1 300 . 1 . 1 30 30 THR HG22 H 1 1.600 0.030 . 1 . . . . . 30 THR HG2 . 50972 1 301 . 1 . 1 30 30 THR HG23 H 1 1.600 0.030 . 1 . . . . . 30 THR HG2 . 50972 1 302 . 1 . 1 30 30 THR C C 13 176.857 0.300 . 1 . . . . . 30 THR C . 50972 1 303 . 1 . 1 30 30 THR CA C 13 64.660 0.300 . 1 . . . . . 30 THR CA . 50972 1 304 . 1 . 1 30 30 THR CB C 13 71.212 0.300 . 1 . . . . . 30 THR CB . 50972 1 305 . 1 . 1 30 30 THR CG2 C 13 22.436 0.300 . 1 . . . . . 30 THR CG2 . 50972 1 306 . 1 . 1 30 30 THR N N 15 108.015 0.300 . 1 . . . . . 30 THR N . 50972 1 307 . 1 . 1 31 31 GLY H H 1 7.551 0.030 . 1 . . . . . 31 GLY H . 50972 1 308 . 1 . 1 31 31 GLY HA2 H 1 4.138 0.030 . 2 . . . . . 31 GLY HA2 . 50972 1 309 . 1 . 1 31 31 GLY HA3 H 1 3.924 0.030 . 2 . . . . . 31 GLY HA3 . 50972 1 310 . 1 . 1 31 31 GLY C C 13 174.404 0.300 . 1 . . . . . 31 GLY C . 50972 1 311 . 1 . 1 31 31 GLY CA C 13 45.948 0.300 . 1 . . . . . 31 GLY CA . 50972 1 312 . 1 . 1 31 31 GLY N N 15 108.580 0.300 . 1 . . . . . 31 GLY N . 50972 1 313 . 1 . 1 32 32 ALA H H 1 7.898 0.030 . 1 . . . . . 32 ALA H . 50972 1 314 . 1 . 1 32 32 ALA HA H 1 3.977 0.030 . 1 . . . . . 32 ALA HA . 50972 1 315 . 1 . 1 32 32 ALA HB1 H 1 0.658 0.030 . 1 . . . . . 32 ALA HB . 50972 1 316 . 1 . 1 32 32 ALA HB2 H 1 0.658 0.030 . 1 . . . . . 32 ALA HB . 50972 1 317 . 1 . 1 32 32 ALA HB3 H 1 0.658 0.030 . 1 . . . . . 32 ALA HB . 50972 1 318 . 1 . 1 32 32 ALA C C 13 175.455 0.300 . 1 . . . . . 32 ALA C . 50972 1 319 . 1 . 1 32 32 ALA CA C 13 52.702 0.300 . 1 . . . . . 32 ALA CA . 50972 1 320 . 1 . 1 32 32 ALA CB C 13 18.851 0.300 . 1 . . . . . 32 ALA CB . 50972 1 321 . 1 . 1 32 32 ALA N N 15 121.281 0.300 . 1 . . . . . 32 ALA N . 50972 1 322 . 1 . 1 33 33 PHE H H 1 7.977 0.030 . 1 . . . . . 33 PHE H . 50972 1 323 . 1 . 1 33 33 PHE HA H 1 5.015 0.030 . 1 . . . . . 33 PHE HA . 50972 1 324 . 1 . 1 33 33 PHE HB2 H 1 3.160 0.030 . 2 . . . . . 33 PHE HB2 . 50972 1 325 . 1 . 1 33 33 PHE HB3 H 1 2.622 0.030 . 2 . . . . . 33 PHE HB3 . 50972 1 326 . 1 . 1 33 33 PHE HD1 H 1 7.120 0.030 . 1 . . . . . 33 PHE HD1 . 50972 1 327 . 1 . 1 33 33 PHE HD2 H 1 7.120 0.030 . 1 . . . . . 33 PHE HD2 . 50972 1 328 . 1 . 1 33 33 PHE HE1 H 1 6.966 0.030 . 1 . . . . . 33 PHE HE1 . 50972 1 329 . 1 . 1 33 33 PHE HE2 H 1 6.966 0.030 . 1 . . . . . 33 PHE HE2 . 50972 1 330 . 1 . 1 33 33 PHE HZ H 1 7.256 0.030 . 1 . . . . . 33 PHE HZ . 50972 1 331 . 1 . 1 33 33 PHE C C 13 176.144 0.300 . 1 . . . . . 33 PHE C . 50972 1 332 . 1 . 1 33 33 PHE CA C 13 56.046 0.300 . 1 . . . . . 33 PHE CA . 50972 1 333 . 1 . 1 33 33 PHE CB C 13 41.870 0.300 . 1 . . . . . 33 PHE CB . 50972 1 334 . 1 . 1 33 33 PHE N N 15 114.062 0.300 . 1 . . . . . 33 PHE N . 50972 1 335 . 1 . 1 34 34 THR H H 1 8.682 0.030 . 1 . . . . . 34 THR H . 50972 1 336 . 1 . 1 34 34 THR HA H 1 4.408 0.030 . 1 . . . . . 34 THR HA . 50972 1 337 . 1 . 1 34 34 THR HB H 1 4.407 0.030 . 1 . . . . . 34 THR HB . 50972 1 338 . 1 . 1 34 34 THR HG1 H 1 5.000 0.030 . 1 . . . . . 34 THR HG1 . 50972 1 339 . 1 . 1 34 34 THR HG21 H 1 1.300 0.030 . 1 . . . . . 34 THR HG2 . 50972 1 340 . 1 . 1 34 34 THR HG22 H 1 1.300 0.030 . 1 . . . . . 34 THR HG2 . 50972 1 341 . 1 . 1 34 34 THR HG23 H 1 1.300 0.030 . 1 . . . . . 34 THR HG2 . 50972 1 342 . 1 . 1 34 34 THR C C 13 175.095 0.300 . 1 . . . . . 34 THR C . 50972 1 343 . 1 . 1 34 34 THR CA C 13 60.635 0.300 . 1 . . . . . 34 THR CA . 50972 1 344 . 1 . 1 34 34 THR CB C 13 73.997 0.300 . 1 . . . . . 34 THR CB . 50972 1 345 . 1 . 1 34 34 THR CG2 C 13 21.936 0.300 . 1 . . . . . 34 THR CG2 . 50972 1 346 . 1 . 1 34 34 THR N N 15 113.443 0.300 . 1 . . . . . 34 THR N . 50972 1 347 . 1 . 1 35 35 ALA H H 1 8.940 0.030 . 1 . . . . . 35 ALA H . 50972 1 348 . 1 . 1 35 35 ALA HA H 1 4.067 0.030 . 1 . . . . . 35 ALA HA . 50972 1 349 . 1 . 1 35 35 ALA HB1 H 1 1.506 0.030 . 1 . . . . . 35 ALA HB . 50972 1 350 . 1 . 1 35 35 ALA HB2 H 1 1.506 0.030 . 1 . . . . . 35 ALA HB . 50972 1 351 . 1 . 1 35 35 ALA HB3 H 1 1.506 0.030 . 1 . . . . . 35 ALA HB . 50972 1 352 . 1 . 1 35 35 ALA C C 13 180.376 0.300 . 1 . . . . . 35 ALA C . 50972 1 353 . 1 . 1 35 35 ALA CA C 13 55.750 0.300 . 1 . . . . . 35 ALA CA . 50972 1 354 . 1 . 1 35 35 ALA CB C 13 18.166 0.300 . 1 . . . . . 35 ALA CB . 50972 1 355 . 1 . 1 35 35 ALA N N 15 123.002 0.300 . 1 . . . . . 35 ALA N . 50972 1 356 . 1 . 1 36 36 ASP H H 1 8.281 0.030 . 1 . . . . . 36 ASP H . 50972 1 357 . 1 . 1 36 36 ASP HA H 1 4.392 0.030 . 1 . . . . . 36 ASP HA . 50972 1 358 . 1 . 1 36 36 ASP HB2 H 1 2.767 0.030 . 2 . . . . . 36 ASP HB2 . 50972 1 359 . 1 . 1 36 36 ASP HB3 H 1 2.542 0.030 . 2 . . . . . 36 ASP HB3 . 50972 1 360 . 1 . 1 36 36 ASP C C 13 178.538 0.300 . 1 . . . . . 36 ASP C . 50972 1 361 . 1 . 1 36 36 ASP CA C 13 56.974 0.300 . 1 . . . . . 36 ASP CA . 50972 1 362 . 1 . 1 36 36 ASP CB C 13 40.449 0.300 . 1 . . . . . 36 ASP CB . 50972 1 363 . 1 . 1 36 36 ASP N N 15 115.976 0.300 . 1 . . . . . 36 ASP N . 50972 1 364 . 1 . 1 37 37 GLN H H 1 7.574 0.030 . 1 . . . . . 37 GLN H . 50972 1 365 . 1 . 1 37 37 GLN HA H 1 4.166 0.030 . 1 . . . . . 37 GLN HA . 50972 1 366 . 1 . 1 37 37 GLN HB2 H 1 1.825 0.030 . 1 . . . . . 37 GLN HB2 . 50972 1 367 . 1 . 1 37 37 GLN HB3 H 1 1.825 0.030 . 1 . . . . . 37 GLN HB3 . 50972 1 368 . 1 . 1 37 37 GLN HG2 H 1 2.610 0.030 . 2 . . . . . 37 GLN HG2 . 50972 1 369 . 1 . 1 37 37 GLN HG3 H 1 2.639 0.030 . 2 . . . . . 37 GLN HG3 . 50972 1 370 . 1 . 1 37 37 GLN HE21 H 1 7.697 0.030 . 2 . . . . . 37 GLN HE21 . 50972 1 371 . 1 . 1 37 37 GLN HE22 H 1 6.820 0.030 . 2 . . . . . 37 GLN HE22 . 50972 1 372 . 1 . 1 37 37 GLN C C 13 178.843 0.300 . 1 . . . . . 37 GLN C . 50972 1 373 . 1 . 1 37 37 GLN CA C 13 58.785 0.300 . 1 . . . . . 37 GLN CA . 50972 1 374 . 1 . 1 37 37 GLN CB C 13 28.689 0.300 . 1 . . . . . 37 GLN CB . 50972 1 375 . 1 . 1 37 37 GLN CG C 13 34.989 0.300 . 1 . . . . . 37 GLN CG . 50972 1 376 . 1 . 1 37 37 GLN N N 15 119.874 0.300 . 1 . . . . . 37 GLN N . 50972 1 377 . 1 . 1 37 37 GLN NE2 N 15 110.561 0.300 . 1 . . . . . 37 GLN NE2 . 50972 1 378 . 1 . 1 38 38 LEU H H 1 8.415 0.030 . 1 . . . . . 38 LEU H . 50972 1 379 . 1 . 1 38 38 LEU HA H 1 4.004 0.030 . 1 . . . . . 38 LEU HA . 50972 1 380 . 1 . 1 38 38 LEU HB2 H 1 1.905 0.030 . 2 . . . . . 38 LEU HB2 . 50972 1 381 . 1 . 1 38 38 LEU HB3 H 1 1.431 0.030 . 2 . . . . . 38 LEU HB3 . 50972 1 382 . 1 . 1 38 38 LEU HG H 1 1.705 0.030 . 1 . . . . . 38 LEU HG . 50972 1 383 . 1 . 1 38 38 LEU HD11 H 1 0.910 0.030 . 2 . . . . . 38 LEU HD1 . 50972 1 384 . 1 . 1 38 38 LEU HD12 H 1 0.910 0.030 . 2 . . . . . 38 LEU HD1 . 50972 1 385 . 1 . 1 38 38 LEU HD13 H 1 0.910 0.030 . 2 . . . . . 38 LEU HD1 . 50972 1 386 . 1 . 1 38 38 LEU HD21 H 1 0.689 0.030 . 2 . . . . . 38 LEU HD2 . 50972 1 387 . 1 . 1 38 38 LEU HD22 H 1 0.689 0.030 . 2 . . . . . 38 LEU HD2 . 50972 1 388 . 1 . 1 38 38 LEU HD23 H 1 0.689 0.030 . 2 . . . . . 38 LEU HD2 . 50972 1 389 . 1 . 1 38 38 LEU C C 13 179.963 0.300 . 1 . . . . . 38 LEU C . 50972 1 390 . 1 . 1 38 38 LEU CA C 13 58.061 0.300 . 1 . . . . . 38 LEU CA . 50972 1 391 . 1 . 1 38 38 LEU CB C 13 40.994 0.300 . 1 . . . . . 38 LEU CB . 50972 1 392 . 1 . 1 38 38 LEU CG C 13 27.430 0.300 . 1 . . . . . 38 LEU CG . 50972 1 393 . 1 . 1 38 38 LEU CD1 C 13 26.188 0.300 . 2 . . . . . 38 LEU CD1 . 50972 1 394 . 1 . 1 38 38 LEU CD2 C 13 22.908 0.300 . 2 . . . . . 38 LEU CD2 . 50972 1 395 . 1 . 1 38 38 LEU N N 15 119.748 0.300 . 1 . . . . . 38 LEU N . 50972 1 396 . 1 . 1 39 39 ASP H H 1 8.068 0.030 . 1 . . . . . 39 ASP H . 50972 1 397 . 1 . 1 39 39 ASP HA H 1 4.414 0.030 . 1 . . . . . 39 ASP HA . 50972 1 398 . 1 . 1 39 39 ASP HB2 H 1 2.841 0.030 . 2 . . . . . 39 ASP HB2 . 50972 1 399 . 1 . 1 39 39 ASP HB3 H 1 2.756 0.030 . 2 . . . . . 39 ASP HB3 . 50972 1 400 . 1 . 1 39 39 ASP C C 13 179.963 0.300 . 1 . . . . . 39 ASP C . 50972 1 401 . 1 . 1 39 39 ASP CA C 13 57.455 0.300 . 1 . . . . . 39 ASP CA . 50972 1 402 . 1 . 1 39 39 ASP CB C 13 40.632 0.300 . 1 . . . . . 39 ASP CB . 50972 1 403 . 1 . 1 39 39 ASP N N 15 120.834 0.300 . 1 . . . . . 39 ASP N . 50972 1 404 . 1 . 1 40 40 ASP H H 1 7.982 0.030 . 1 . . . . . 40 ASP H . 50972 1 405 . 1 . 1 40 40 ASP HA H 1 4.441 0.030 . 1 . . . . . 40 ASP HA . 50972 1 406 . 1 . 1 40 40 ASP HB2 H 1 2.845 0.030 . 2 . . . . . 40 ASP HB2 . 50972 1 407 . 1 . 1 40 40 ASP HB3 H 1 2.634 0.030 . 2 . . . . . 40 ASP HB3 . 50972 1 408 . 1 . 1 40 40 ASP C C 13 179.348 0.300 . 1 . . . . . 40 ASP C . 50972 1 409 . 1 . 1 40 40 ASP CA C 13 57.455 0.300 . 1 . . . . . 40 ASP CA . 50972 1 410 . 1 . 1 40 40 ASP CB C 13 40.917 0.300 . 1 . . . . . 40 ASP CB . 50972 1 411 . 1 . 1 40 40 ASP N N 15 122.241 0.300 . 1 . . . . . 40 ASP N . 50972 1 412 . 1 . 1 41 41 MET H H 1 8.612 0.030 . 1 . . . . . 41 MET H . 50972 1 413 . 1 . 1 41 41 MET HA H 1 3.832 0.030 . 1 . . . . . 41 MET HA . 50972 1 414 . 1 . 1 41 41 MET HB2 H 1 2.234 0.030 . 2 . . . . . 41 MET HB2 . 50972 1 415 . 1 . 1 41 41 MET HB3 H 1 2.108 0.030 . 2 . . . . . 41 MET HB3 . 50972 1 416 . 1 . 1 41 41 MET HG2 H 1 2.596 0.030 . 2 . . . . . 41 MET HG2 . 50972 1 417 . 1 . 1 41 41 MET HG3 H 1 2.336 0.030 . 2 . . . . . 41 MET HG3 . 50972 1 418 . 1 . 1 41 41 MET HE1 H 1 1.110 0.030 . 1 . . . . . 41 MET HE . 50972 1 419 . 1 . 1 41 41 MET HE2 H 1 1.110 0.030 . 1 . . . . . 41 MET HE . 50972 1 420 . 1 . 1 41 41 MET HE3 H 1 1.110 0.030 . 1 . . . . . 41 MET HE . 50972 1 421 . 1 . 1 41 41 MET C C 13 177.552 0.300 . 1 . . . . . 41 MET C . 50972 1 422 . 1 . 1 41 41 MET CA C 13 59.199 0.300 . 1 . . . . . 41 MET CA . 50972 1 423 . 1 . 1 41 41 MET CB C 13 34.006 0.300 . 1 . . . . . 41 MET CB . 50972 1 424 . 1 . 1 41 41 MET CG C 13 33.192 0.300 . 1 . . . . . 41 MET CG . 50972 1 425 . 1 . 1 41 41 MET CE C 13 15.929 0.300 . 1 . . . . . 41 MET CE . 50972 1 426 . 1 . 1 41 41 MET N N 15 120.850 0.300 . 1 . . . . . 41 MET N . 50972 1 427 . 1 . 1 42 42 SER H H 1 8.058 0.030 . 1 . . . . . 42 SER H . 50972 1 428 . 1 . 1 42 42 SER HA H 1 4.312 0.030 . 1 . . . . . 42 SER HA . 50972 1 429 . 1 . 1 42 42 SER HB2 H 1 4.190 0.030 . 2 . . . . . 42 SER HB2 . 50972 1 430 . 1 . 1 42 42 SER HB3 H 1 4.130 0.030 . 2 . . . . . 42 SER HB3 . 50972 1 431 . 1 . 1 42 42 SER C C 13 176.405 0.300 . 1 . . . . . 42 SER C . 50972 1 432 . 1 . 1 42 42 SER CA C 13 61.862 0.300 . 1 . . . . . 42 SER CA . 50972 1 433 . 1 . 1 42 42 SER CB C 13 63.180 0.300 . 1 . . . . . 42 SER CB . 50972 1 434 . 1 . 1 42 42 SER N N 15 113.477 0.300 . 1 . . . . . 42 SER N . 50972 1 435 . 1 . 1 43 43 THR H H 1 7.589 0.030 . 1 . . . . . 43 THR H . 50972 1 436 . 1 . 1 43 43 THR HA H 1 4.408 0.030 . 1 . . . . . 43 THR HA . 50972 1 437 . 1 . 1 43 43 THR HB H 1 4.509 0.030 . 1 . . . . . 43 THR HB . 50972 1 438 . 1 . 1 43 43 THR HG21 H 1 1.359 0.030 . 1 . . . . . 43 THR HG2 . 50972 1 439 . 1 . 1 43 43 THR HG22 H 1 1.359 0.030 . 1 . . . . . 43 THR HG2 . 50972 1 440 . 1 . 1 43 43 THR HG23 H 1 1.359 0.030 . 1 . . . . . 43 THR HG2 . 50972 1 441 . 1 . 1 43 43 THR C C 13 176.241 0.300 . 1 . . . . . 43 THR C . 50972 1 442 . 1 . 1 43 43 THR CA C 13 63.933 0.300 . 1 . . . . . 43 THR CA . 50972 1 443 . 1 . 1 43 43 THR CB C 13 69.331 0.300 . 1 . . . . . 43 THR CB . 50972 1 444 . 1 . 1 43 43 THR CG2 C 13 21.686 0.300 . 1 . . . . . 43 THR CG2 . 50972 1 445 . 1 . 1 43 43 THR N N 15 114.456 0.300 . 1 . . . . . 43 THR N . 50972 1 446 . 1 . 1 44 44 ILE H H 1 8.177 0.030 . 1 . . . . . 44 ILE H . 50972 1 447 . 1 . 1 44 44 ILE HA H 1 4.081 0.030 . 1 . . . . . 44 ILE HA . 50972 1 448 . 1 . 1 44 44 ILE HB H 1 2.074 0.030 . 1 . . . . . 44 ILE HB . 50972 1 449 . 1 . 1 44 44 ILE HG12 H 1 1.633 0.030 . 2 . . . . . 44 ILE HG12 . 50972 1 450 . 1 . 1 44 44 ILE HG13 H 1 1.245 0.030 . 2 . . . . . 44 ILE HG13 . 50972 1 451 . 1 . 1 44 44 ILE HG21 H 1 1.071 0.030 . 1 . . . . . 44 ILE HG2 . 50972 1 452 . 1 . 1 44 44 ILE HG22 H 1 1.071 0.030 . 1 . . . . . 44 ILE HG2 . 50972 1 453 . 1 . 1 44 44 ILE HG23 H 1 1.071 0.030 . 1 . . . . . 44 ILE HG2 . 50972 1 454 . 1 . 1 44 44 ILE HD11 H 1 0.858 0.030 . 1 . . . . . 44 ILE HD1 . 50972 1 455 . 1 . 1 44 44 ILE HD12 H 1 0.858 0.030 . 1 . . . . . 44 ILE HD1 . 50972 1 456 . 1 . 1 44 44 ILE HD13 H 1 0.858 0.030 . 1 . . . . . 44 ILE HD1 . 50972 1 457 . 1 . 1 44 44 ILE C C 13 177.382 0.300 . 1 . . . . . 44 ILE C . 50972 1 458 . 1 . 1 44 44 ILE CA C 13 62.861 0.300 . 1 . . . . . 44 ILE CA . 50972 1 459 . 1 . 1 44 44 ILE CB C 13 37.737 0.300 . 1 . . . . . 44 ILE CB . 50972 1 460 . 1 . 1 44 44 ILE CG1 C 13 29.440 0.300 . 1 . . . . . 44 ILE CG1 . 50972 1 461 . 1 . 1 44 44 ILE CG2 C 13 18.891 0.300 . 1 . . . . . 44 ILE CG2 . 50972 1 462 . 1 . 1 44 44 ILE CD1 C 13 14.432 0.300 . 1 . . . . . 44 ILE CD1 . 50972 1 463 . 1 . 1 44 44 ILE N N 15 123.403 0.300 . 1 . . . . . 44 ILE N . 50972 1 464 . 1 . 1 45 45 GLY H H 1 8.265 0.030 . 1 . . . . . 45 GLY H . 50972 1 465 . 1 . 1 45 45 GLY HA2 H 1 4.147 0.030 . 2 . . . . . 45 GLY HA2 . 50972 1 466 . 1 . 1 45 45 GLY HA3 H 1 3.809 0.030 . 2 . . . . . 45 GLY HA3 . 50972 1 467 . 1 . 1 45 45 GLY C C 13 175.782 0.300 . 1 . . . . . 45 GLY C . 50972 1 468 . 1 . 1 45 45 GLY CA C 13 48.077 0.300 . 1 . . . . . 45 GLY CA . 50972 1 469 . 1 . 1 45 45 GLY N N 15 108.633 0.300 . 1 . . . . . 45 GLY N . 50972 1 470 . 1 . 1 46 46 ASP H H 1 8.004 0.030 . 1 . . . . . 46 ASP H . 50972 1 471 . 1 . 1 46 46 ASP HA H 1 4.519 0.030 . 1 . . . . . 46 ASP HA . 50972 1 472 . 1 . 1 46 46 ASP HB2 H 1 2.749 0.030 . 2 . . . . . 46 ASP HB2 . 50972 1 473 . 1 . 1 46 46 ASP HB3 H 1 2.829 0.030 . 2 . . . . . 46 ASP HB3 . 50972 1 474 . 1 . 1 46 46 ASP C C 13 179.007 0.300 . 1 . . . . . 46 ASP C . 50972 1 475 . 1 . 1 46 46 ASP CA C 13 57.455 0.300 . 1 . . . . . 46 ASP CA . 50972 1 476 . 1 . 1 46 46 ASP CB C 13 40.768 0.300 . 1 . . . . . 46 ASP CB . 50972 1 477 . 1 . 1 46 46 ASP N N 15 122.339 0.300 . 1 . . . . . 46 ASP N . 50972 1 478 . 1 . 1 47 47 THR H H 1 8.144 0.030 . 1 . . . . . 47 THR H . 50972 1 479 . 1 . 1 47 47 THR HA H 1 3.869 0.030 . 1 . . . . . 47 THR HA . 50972 1 480 . 1 . 1 47 47 THR HB H 1 4.379 0.030 . 1 . . . . . 47 THR HB . 50972 1 481 . 1 . 1 47 47 THR HG21 H 1 1.113 0.030 . 1 . . . . . 47 THR HG2 . 50972 1 482 . 1 . 1 47 47 THR HG22 H 1 1.113 0.030 . 1 . . . . . 47 THR HG2 . 50972 1 483 . 1 . 1 47 47 THR HG23 H 1 1.113 0.030 . 1 . . . . . 47 THR HG2 . 50972 1 484 . 1 . 1 47 47 THR C C 13 177.058 0.300 . 1 . . . . . 47 THR C . 50972 1 485 . 1 . 1 47 47 THR CA C 13 66.654 0.300 . 1 . . . . . 47 THR CA . 50972 1 486 . 1 . 1 47 47 THR CB C 13 68.527 0.300 . 1 . . . . . 47 THR CB . 50972 1 487 . 1 . 1 47 47 THR CG2 C 13 21.489 0.300 . 1 . . . . . 47 THR CG2 . 50972 1 488 . 1 . 1 47 47 THR N N 15 119.197 0.300 . 1 . . . . . 47 THR N . 50972 1 489 . 1 . 1 48 48 ILE H H 1 8.513 0.030 . 1 . . . . . 48 ILE H . 50972 1 490 . 1 . 1 48 48 ILE HA H 1 3.643 0.030 . 1 . . . . . 48 ILE HA . 50972 1 491 . 1 . 1 48 48 ILE HB H 1 2.097 0.030 . 1 . . . . . 48 ILE HB . 50972 1 492 . 1 . 1 48 48 ILE HG12 H 1 1.227 0.030 . 2 . . . . . 48 ILE HG12 . 50972 1 493 . 1 . 1 48 48 ILE HG13 H 1 1.547 0.030 . 2 . . . . . 48 ILE HG13 . 50972 1 494 . 1 . 1 48 48 ILE HG21 H 1 0.567 0.030 . 1 . . . . . 48 ILE HG2 . 50972 1 495 . 1 . 1 48 48 ILE HG22 H 1 0.567 0.030 . 1 . . . . . 48 ILE HG2 . 50972 1 496 . 1 . 1 48 48 ILE HG23 H 1 0.567 0.030 . 1 . . . . . 48 ILE HG2 . 50972 1 497 . 1 . 1 48 48 ILE HD11 H 1 0.372 0.030 . 1 . . . . . 48 ILE HD1 . 50972 1 498 . 1 . 1 48 48 ILE HD12 H 1 0.372 0.030 . 1 . . . . . 48 ILE HD1 . 50972 1 499 . 1 . 1 48 48 ILE HD13 H 1 0.372 0.030 . 1 . . . . . 48 ILE HD1 . 50972 1 500 . 1 . 1 48 48 ILE C C 13 177.349 0.300 . 1 . . . . . 48 ILE C . 50972 1 501 . 1 . 1 48 48 ILE CA C 13 62.207 0.300 . 1 . . . . . 48 ILE CA . 50972 1 502 . 1 . 1 48 48 ILE CB C 13 35.693 0.300 . 1 . . . . . 48 ILE CB . 50972 1 503 . 1 . 1 48 48 ILE CG1 C 13 27.689 0.300 . 1 . . . . . 48 ILE CG1 . 50972 1 504 . 1 . 1 48 48 ILE CG2 C 13 17.463 0.300 . 1 . . . . . 48 ILE CG2 . 50972 1 505 . 1 . 1 48 48 ILE CD1 C 13 9.929 0.300 . 1 . . . . . 48 ILE CD1 . 50972 1 506 . 1 . 1 48 48 ILE N N 15 122.513 0.300 . 1 . . . . . 48 ILE N . 50972 1 507 . 1 . 1 49 49 LYS H H 1 8.337 0.030 . 1 . . . . . 49 LYS H . 50972 1 508 . 1 . 1 49 49 LYS HA H 1 4.046 0.030 . 1 . . . . . 49 LYS HA . 50972 1 509 . 1 . 1 49 49 LYS HB2 H 1 2.026 0.030 . 2 . . . . . 49 LYS HB2 . 50972 1 510 . 1 . 1 49 49 LYS HB3 H 1 1.950 0.030 . 2 . . . . . 49 LYS HB3 . 50972 1 511 . 1 . 1 49 49 LYS HG2 H 1 1.481 0.030 . 2 . . . . . 49 LYS HG2 . 50972 1 512 . 1 . 1 49 49 LYS HG3 H 1 1.672 0.030 . 2 . . . . . 49 LYS HG3 . 50972 1 513 . 1 . 1 49 49 LYS HD2 H 1 1.693 0.030 . 1 . . . . . 49 LYS HD2 . 50972 1 514 . 1 . 1 49 49 LYS HD3 H 1 1.693 0.030 . 1 . . . . . 49 LYS HD3 . 50972 1 515 . 1 . 1 49 49 LYS HE2 H 1 2.987 0.030 . 1 . . . . . 49 LYS HE2 . 50972 1 516 . 1 . 1 49 49 LYS HE3 H 1 2.987 0.030 . 1 . . . . . 49 LYS HE3 . 50972 1 517 . 1 . 1 49 49 LYS C C 13 179.725 0.300 . 1 . . . . . 49 LYS C . 50972 1 518 . 1 . 1 49 49 LYS CA C 13 60.495 0.300 . 1 . . . . . 49 LYS CA . 50972 1 519 . 1 . 1 49 49 LYS CB C 13 32.191 0.300 . 1 . . . . . 49 LYS CB . 50972 1 520 . 1 . 1 49 49 LYS CG C 13 25.622 0.300 . 1 . . . . . 49 LYS CG . 50972 1 521 . 1 . 1 49 49 LYS CD C 13 29.350 0.300 . 1 . . . . . 49 LYS CD . 50972 1 522 . 1 . 1 49 49 LYS CE C 13 42.196 0.300 . 1 . . . . . 49 LYS CE . 50972 1 523 . 1 . 1 49 49 LYS N N 15 121.536 0.300 . 1 . . . . . 49 LYS N . 50972 1 524 . 1 . 1 50 50 THR H H 1 8.252 0.030 . 1 . . . . . 50 THR H . 50972 1 525 . 1 . 1 50 50 THR HA H 1 3.996 0.030 . 1 . . . . . 50 THR HA . 50972 1 526 . 1 . 1 50 50 THR HB H 1 4.224 0.030 . 1 . . . . . 50 THR HB . 50972 1 527 . 1 . 1 50 50 THR HG21 H 1 1.254 0.030 . 1 . . . . . 50 THR HG2 . 50972 1 528 . 1 . 1 50 50 THR HG22 H 1 1.254 0.030 . 1 . . . . . 50 THR HG2 . 50972 1 529 . 1 . 1 50 50 THR HG23 H 1 1.254 0.030 . 1 . . . . . 50 THR HG2 . 50972 1 530 . 1 . 1 50 50 THR C C 13 176.493 0.300 . 1 . . . . . 50 THR C . 50972 1 531 . 1 . 1 50 50 THR CA C 13 66.618 0.300 . 1 . . . . . 50 THR CA . 50972 1 532 . 1 . 1 50 50 THR CB C 13 68.746 0.300 . 1 . . . . . 50 THR CB . 50972 1 533 . 1 . 1 50 50 THR CG2 C 13 21.733 0.300 . 1 . . . . . 50 THR CG2 . 50972 1 534 . 1 . 1 50 50 THR N N 15 115.926 0.300 . 1 . . . . . 50 THR N . 50972 1 535 . 1 . 1 51 51 ALA H H 1 7.819 0.030 . 1 . . . . . 51 ALA H . 50972 1 536 . 1 . 1 51 51 ALA HA H 1 4.106 0.030 . 1 . . . . . 51 ALA HA . 50972 1 537 . 1 . 1 51 51 ALA HB1 H 1 1.320 0.030 . 1 . . . . . 51 ALA HB . 50972 1 538 . 1 . 1 51 51 ALA HB2 H 1 1.320 0.030 . 1 . . . . . 51 ALA HB . 50972 1 539 . 1 . 1 51 51 ALA HB3 H 1 1.320 0.030 . 1 . . . . . 51 ALA HB . 50972 1 540 . 1 . 1 51 51 ALA C C 13 180.162 0.300 . 1 . . . . . 51 ALA C . 50972 1 541 . 1 . 1 51 51 ALA CA C 13 55.372 0.300 . 1 . . . . . 51 ALA CA . 50972 1 542 . 1 . 1 51 51 ALA CB C 13 17.785 0.300 . 1 . . . . . 51 ALA CB . 50972 1 543 . 1 . 1 51 51 ALA N N 15 124.817 0.300 . 1 . . . . . 51 ALA N . 50972 1 544 . 1 . 1 52 52 MET H H 1 8.831 0.030 . 1 . . . . . 52 MET H . 50972 1 545 . 1 . 1 52 52 MET HA H 1 3.839 0.030 . 1 . . . . . 52 MET HA . 50972 1 546 . 1 . 1 52 52 MET HB2 H 1 2.152 0.030 . 1 . . . . . 52 MET HB2 . 50972 1 547 . 1 . 1 52 52 MET HB3 H 1 2.152 0.030 . 1 . . . . . 52 MET HB3 . 50972 1 548 . 1 . 1 52 52 MET HG2 H 1 2.700 0.030 . 2 . . . . . 52 MET HG2 . 50972 1 549 . 1 . 1 52 52 MET HG3 H 1 2.369 0.030 . 2 . . . . . 52 MET HG3 . 50972 1 550 . 1 . 1 52 52 MET HE1 H 1 1.944 0.030 . 1 . . . . . 52 MET HE . 50972 1 551 . 1 . 1 52 52 MET HE2 H 1 1.944 0.030 . 1 . . . . . 52 MET HE . 50972 1 552 . 1 . 1 52 52 MET HE3 H 1 1.944 0.030 . 1 . . . . . 52 MET HE . 50972 1 553 . 1 . 1 52 52 MET C C 13 179.014 0.300 . 1 . . . . . 52 MET C . 50972 1 554 . 1 . 1 52 52 MET CA C 13 60.071 0.300 . 1 . . . . . 52 MET CA . 50972 1 555 . 1 . 1 52 52 MET CB C 13 32.884 0.300 . 1 . . . . . 52 MET CB . 50972 1 556 . 1 . 1 52 52 MET CG C 13 33.750 0.300 . 1 . . . . . 52 MET CG . 50972 1 557 . 1 . 1 52 52 MET CE C 13 16.448 0.300 . 1 . . . . . 52 MET CE . 50972 1 558 . 1 . 1 52 52 MET N N 15 118.342 0.300 . 1 . . . . . 52 MET N . 50972 1 559 . 1 . 1 53 53 ASP H H 1 7.980 0.030 . 1 . . . . . 53 ASP H . 50972 1 560 . 1 . 1 53 53 ASP HA H 1 4.436 0.030 . 1 . . . . . 53 ASP HA . 50972 1 561 . 1 . 1 53 53 ASP HB2 H 1 2.843 0.030 . 2 . . . . . 53 ASP HB2 . 50972 1 562 . 1 . 1 53 53 ASP HB3 H 1 2.747 0.030 . 2 . . . . . 53 ASP HB3 . 50972 1 563 . 1 . 1 53 53 ASP C C 13 178.477 0.300 . 1 . . . . . 53 ASP C . 50972 1 564 . 1 . 1 53 53 ASP CA C 13 57.466 0.300 . 1 . . . . . 53 ASP CA . 50972 1 565 . 1 . 1 53 53 ASP CB C 13 40.923 0.300 . 1 . . . . . 53 ASP CB . 50972 1 566 . 1 . 1 53 53 ASP N N 15 120.719 0.300 . 1 . . . . . 53 ASP N . 50972 1 567 . 1 . 1 54 54 LYS H H 1 7.912 0.030 . 1 . . . . . 54 LYS H . 50972 1 568 . 1 . 1 54 54 LYS HA H 1 4.005 0.030 . 1 . . . . . 54 LYS HA . 50972 1 569 . 1 . 1 54 54 LYS HB2 H 1 1.906 0.030 . 1 . . . . . 54 LYS HB2 . 50972 1 570 . 1 . 1 54 54 LYS HB3 H 1 1.906 0.030 . 1 . . . . . 54 LYS HB3 . 50972 1 571 . 1 . 1 54 54 LYS HG2 H 1 1.586 0.030 . 2 . . . . . 54 LYS HG2 . 50972 1 572 . 1 . 1 54 54 LYS HG3 H 1 1.414 0.030 . 2 . . . . . 54 LYS HG3 . 50972 1 573 . 1 . 1 54 54 LYS HD2 H 1 1.631 0.030 . 1 . . . . . 54 LYS HD2 . 50972 1 574 . 1 . 1 54 54 LYS HD3 H 1 1.631 0.030 . 1 . . . . . 54 LYS HD3 . 50972 1 575 . 1 . 1 54 54 LYS HE2 H 1 2.913 0.030 . 1 . . . . . 54 LYS HE2 . 50972 1 576 . 1 . 1 54 54 LYS HE3 H 1 2.913 0.030 . 1 . . . . . 54 LYS HE3 . 50972 1 577 . 1 . 1 54 54 LYS C C 13 180.154 0.300 . 1 . . . . . 54 LYS C . 50972 1 578 . 1 . 1 54 54 LYS CA C 13 59.285 0.300 . 1 . . . . . 54 LYS CA . 50972 1 579 . 1 . 1 54 54 LYS CB C 13 32.430 0.300 . 1 . . . . . 54 LYS CB . 50972 1 580 . 1 . 1 54 54 LYS CG C 13 25.388 0.300 . 1 . . . . . 54 LYS CG . 50972 1 581 . 1 . 1 54 54 LYS CD C 13 29.440 0.300 . 1 . . . . . 54 LYS CD . 50972 1 582 . 1 . 1 54 54 LYS CE C 13 42.168 0.300 . 1 . . . . . 54 LYS CE . 50972 1 583 . 1 . 1 54 54 LYS N N 15 118.820 0.300 . 1 . . . . . 54 LYS N . 50972 1 584 . 1 . 1 55 55 MET H H 1 8.354 0.030 . 1 . . . . . 55 MET H . 50972 1 585 . 1 . 1 55 55 MET HA H 1 4.305 0.030 . 1 . . . . . 55 MET HA . 50972 1 586 . 1 . 1 55 55 MET HB2 H 1 1.900 0.030 . 2 . . . . . 55 MET HB2 . 50972 1 587 . 1 . 1 55 55 MET HB3 H 1 2.211 0.030 . 2 . . . . . 55 MET HB3 . 50972 1 588 . 1 . 1 55 55 MET HG2 H 1 2.750 0.030 . 2 . . . . . 55 MET HG2 . 50972 1 589 . 1 . 1 55 55 MET HG3 H 1 2.625 0.030 . 2 . . . . . 55 MET HG3 . 50972 1 590 . 1 . 1 55 55 MET HE1 H 1 1.988 0.030 . 1 . . . . . 55 MET HE . 50972 1 591 . 1 . 1 55 55 MET HE2 H 1 1.988 0.030 . 1 . . . . . 55 MET HE . 50972 1 592 . 1 . 1 55 55 MET HE3 H 1 1.988 0.030 . 1 . . . . . 55 MET HE . 50972 1 593 . 1 . 1 55 55 MET C C 13 178.611 0.300 . 1 . . . . . 55 MET C . 50972 1 594 . 1 . 1 55 55 MET CA C 13 57.455 0.300 . 1 . . . . . 55 MET CA . 50972 1 595 . 1 . 1 55 55 MET CB C 13 32.941 0.300 . 1 . . . . . 55 MET CB . 50972 1 596 . 1 . 1 55 55 MET CG C 13 32.934 0.300 . 1 . . . . . 55 MET CG . 50972 1 597 . 1 . 1 55 55 MET CE C 13 18.088 0.300 . 1 . . . . . 55 MET CE . 50972 1 598 . 1 . 1 55 55 MET N N 15 117.736 0.300 . 1 . . . . . 55 MET N . 50972 1 599 . 1 . 1 56 56 ALA H H 1 7.962 0.030 . 1 . . . . . 56 ALA H . 50972 1 600 . 1 . 1 56 56 ALA HA H 1 4.241 0.030 . 1 . . . . . 56 ALA HA . 50972 1 601 . 1 . 1 56 56 ALA HB1 H 1 1.588 0.030 . 1 . . . . . 56 ALA HB . 50972 1 602 . 1 . 1 56 56 ALA HB2 H 1 1.588 0.030 . 1 . . . . . 56 ALA HB . 50972 1 603 . 1 . 1 56 56 ALA HB3 H 1 1.588 0.030 . 1 . . . . . 56 ALA HB . 50972 1 604 . 1 . 1 56 56 ALA C C 13 179.343 0.300 . 1 . . . . . 56 ALA C . 50972 1 605 . 1 . 1 56 56 ALA CA C 13 54.752 0.300 . 1 . . . . . 56 ALA CA . 50972 1 606 . 1 . 1 56 56 ALA CB C 13 18.413 0.300 . 1 . . . . . 56 ALA CB . 50972 1 607 . 1 . 1 56 56 ALA N N 15 123.049 0.300 . 1 . . . . . 56 ALA N . 50972 1 608 . 1 . 1 57 57 ARG H H 1 7.533 0.030 . 1 . . . . . 57 ARG H . 50972 1 609 . 1 . 1 57 57 ARG HA H 1 4.427 0.030 . 1 . . . . . 57 ARG HA . 50972 1 610 . 1 . 1 57 57 ARG HB2 H 1 1.776 0.030 . 2 . . . . . 57 ARG HB2 . 50972 1 611 . 1 . 1 57 57 ARG HB3 H 1 2.042 0.030 . 2 . . . . . 57 ARG HB3 . 50972 1 612 . 1 . 1 57 57 ARG HG2 H 1 1.681 0.030 . 2 . . . . . 57 ARG HG2 . 50972 1 613 . 1 . 1 57 57 ARG HG3 H 1 1.739 0.030 . 2 . . . . . 57 ARG HG3 . 50972 1 614 . 1 . 1 57 57 ARG HD2 H 1 3.194 0.030 . 2 . . . . . 57 ARG HD2 . 50972 1 615 . 1 . 1 57 57 ARG HD3 H 1 3.248 0.030 . 2 . . . . . 57 ARG HD3 . 50972 1 616 . 1 . 1 57 57 ARG HE H 1 7.328 0.030 . 1 . . . . . 57 ARG HE . 50972 1 617 . 1 . 1 57 57 ARG C C 13 176.294 0.300 . 1 . . . . . 57 ARG C . 50972 1 618 . 1 . 1 57 57 ARG CA C 13 56.175 0.300 . 1 . . . . . 57 ARG CA . 50972 1 619 . 1 . 1 57 57 ARG CB C 13 30.414 0.300 . 1 . . . . . 57 ARG CB . 50972 1 620 . 1 . 1 57 57 ARG CG C 13 27.681 0.300 . 1 . . . . . 57 ARG CG . 50972 1 621 . 1 . 1 57 57 ARG CD C 13 43.651 0.300 . 1 . . . . . 57 ARG CD . 50972 1 622 . 1 . 1 57 57 ARG N N 15 115.517 0.300 . 1 . . . . . 57 ARG N . 50972 1 623 . 1 . 1 58 58 SER H H 1 7.529 0.030 . 1 . . . . . 58 SER H . 50972 1 624 . 1 . 1 58 58 SER HA H 1 4.579 0.030 . 1 . . . . . 58 SER HA . 50972 1 625 . 1 . 1 58 58 SER HB2 H 1 3.962 0.030 . 2 . . . . . 58 SER HB2 . 50972 1 626 . 1 . 1 58 58 SER HB3 H 1 4.064 0.030 . 2 . . . . . 58 SER HB3 . 50972 1 627 . 1 . 1 58 58 SER C C 13 174.232 0.300 . 1 . . . . . 58 SER C . 50972 1 628 . 1 . 1 58 58 SER CA C 13 58.012 0.300 . 1 . . . . . 58 SER CA . 50972 1 629 . 1 . 1 58 58 SER CB C 13 64.915 0.300 . 1 . . . . . 58 SER CB . 50972 1 630 . 1 . 1 58 58 SER N N 15 114.575 0.300 . 1 . . . . . 58 SER N . 50972 1 631 . 1 . 1 59 59 ASN HA H 1 4.772 0.030 . 1 . . . . . 59 ASN HA . 50972 1 632 . 1 . 1 59 59 ASN HB2 H 1 2.831 0.030 . 2 . . . . . 59 ASN HB2 . 50972 1 633 . 1 . 1 59 59 ASN HB3 H 1 2.951 0.030 . 2 . . . . . 59 ASN HB3 . 50972 1 634 . 1 . 1 59 59 ASN HD21 H 1 7.643 0.030 . 2 . . . . . 59 ASN HD21 . 50972 1 635 . 1 . 1 59 59 ASN HD22 H 1 6.823 0.030 . 2 . . . . . 59 ASN HD22 . 50972 1 636 . 1 . 1 59 59 ASN C C 13 175.416 0.300 . 1 . . . . . 59 ASN C . 50972 1 637 . 1 . 1 59 59 ASN CA C 13 53.270 0.300 . 1 . . . . . 59 ASN CA . 50972 1 638 . 1 . 1 59 59 ASN CB C 13 38.491 0.300 . 1 . . . . . 59 ASN CB . 50972 1 639 . 1 . 1 59 59 ASN ND2 N 15 112.583 0.300 . 1 . . . . . 59 ASN ND2 . 50972 1 640 . 1 . 1 60 60 LYS H H 1 7.894 0.030 . 1 . . . . . 60 LYS H . 50972 1 641 . 1 . 1 60 60 LYS HA H 1 4.287 0.030 . 1 . . . . . 60 LYS HA . 50972 1 642 . 1 . 1 60 60 LYS HB2 H 1 1.827 0.030 . 2 . . . . . 60 LYS HB2 . 50972 1 643 . 1 . 1 60 60 LYS HB3 H 1 1.659 0.030 . 2 . . . . . 60 LYS HB3 . 50972 1 644 . 1 . 1 60 60 LYS HG2 H 1 1.515 0.030 . 1 . . . . . 60 LYS HG2 . 50972 1 645 . 1 . 1 60 60 LYS HG3 H 1 1.515 0.030 . 1 . . . . . 60 LYS HG3 . 50972 1 646 . 1 . 1 60 60 LYS HD2 H 1 1.636 0.030 . 1 . . . . . 60 LYS HD2 . 50972 1 647 . 1 . 1 60 60 LYS HD3 H 1 1.636 0.030 . 1 . . . . . 60 LYS HD3 . 50972 1 648 . 1 . 1 60 60 LYS HE2 H 1 2.937 0.030 . 1 . . . . . 60 LYS HE2 . 50972 1 649 . 1 . 1 60 60 LYS HE3 H 1 2.937 0.030 . 1 . . . . . 60 LYS HE3 . 50972 1 650 . 1 . 1 60 60 LYS C C 13 176.414 0.300 . 1 . . . . . 60 LYS C . 50972 1 651 . 1 . 1 60 60 LYS CA C 13 56.763 0.300 . 1 . . . . . 60 LYS CA . 50972 1 652 . 1 . 1 60 60 LYS CB C 13 34.192 0.300 . 1 . . . . . 60 LYS CB . 50972 1 653 . 1 . 1 60 60 LYS CG C 13 25.416 0.300 . 1 . . . . . 60 LYS CG . 50972 1 654 . 1 . 1 60 60 LYS CD C 13 29.422 0.300 . 1 . . . . . 60 LYS CD . 50972 1 655 . 1 . 1 60 60 LYS CE C 13 42.140 0.300 . 1 . . . . . 60 LYS CE . 50972 1 656 . 1 . 1 60 60 LYS N N 15 119.871 0.300 . 1 . . . . . 60 LYS N . 50972 1 657 . 1 . 1 61 61 SER H H 1 8.521 0.030 . 1 . . . . . 61 SER H . 50972 1 658 . 1 . 1 61 61 SER HA H 1 4.274 0.030 . 1 . . . . . 61 SER HA . 50972 1 659 . 1 . 1 61 61 SER HB2 H 1 4.018 0.030 . 1 . . . . . 61 SER HB2 . 50972 1 660 . 1 . 1 61 61 SER HB3 H 1 4.018 0.030 . 1 . . . . . 61 SER HB3 . 50972 1 661 . 1 . 1 61 61 SER C C 13 174.796 0.300 . 1 . . . . . 61 SER C . 50972 1 662 . 1 . 1 61 61 SER CA C 13 58.781 0.300 . 1 . . . . . 61 SER CA . 50972 1 663 . 1 . 1 61 61 SER CB C 13 66.125 0.300 . 1 . . . . . 61 SER CB . 50972 1 664 . 1 . 1 61 61 SER N N 15 117.107 0.300 . 1 . . . . . 61 SER N . 50972 1 665 . 1 . 1 63 63 LYS H H 1 8.427 0.030 . 1 . . . . . 63 LYS H . 50972 1 666 . 1 . 1 63 63 LYS HA H 1 4.086 0.030 . 1 . . . . . 63 LYS HA . 50972 1 667 . 1 . 1 63 63 LYS HB2 H 1 1.782 0.030 . 2 . . . . . 63 LYS HB2 . 50972 1 668 . 1 . 1 63 63 LYS HB3 H 1 1.872 0.030 . 2 . . . . . 63 LYS HB3 . 50972 1 669 . 1 . 1 63 63 LYS HG2 H 1 1.409 0.030 . 2 . . . . . 63 LYS HG2 . 50972 1 670 . 1 . 1 63 63 LYS HG3 H 1 1.497 0.030 . 2 . . . . . 63 LYS HG3 . 50972 1 671 . 1 . 1 63 63 LYS HD2 H 1 1.693 0.030 . 1 . . . . . 63 LYS HD2 . 50972 1 672 . 1 . 1 63 63 LYS HD3 H 1 1.693 0.030 . 1 . . . . . 63 LYS HD3 . 50972 1 673 . 1 . 1 63 63 LYS HE2 H 1 2.985 0.030 . 2 . . . . . 63 LYS HE2 . 50972 1 674 . 1 . 1 63 63 LYS HE3 H 1 2.907 0.030 . 2 . . . . . 63 LYS HE3 . 50972 1 675 . 1 . 1 63 63 LYS C C 13 178.833 0.300 . 1 . . . . . 63 LYS C . 50972 1 676 . 1 . 1 63 63 LYS CA C 13 59.360 0.300 . 1 . . . . . 63 LYS CA . 50972 1 677 . 1 . 1 63 63 LYS CB C 13 32.477 0.300 . 1 . . . . . 63 LYS CB . 50972 1 678 . 1 . 1 63 63 LYS CG C 13 25.187 0.300 . 1 . . . . . 63 LYS CG . 50972 1 679 . 1 . 1 63 63 LYS CD C 13 29.440 0.300 . 1 . . . . . 63 LYS CD . 50972 1 680 . 1 . 1 63 63 LYS CE C 13 42.158 0.300 . 1 . . . . . 63 LYS CE . 50972 1 681 . 1 . 1 64 64 GLY H H 1 8.382 0.030 . 1 . . . . . 64 GLY H . 50972 1 682 . 1 . 1 64 64 GLY HA2 H 1 3.908 0.030 . 1 . . . . . 64 GLY HA2 . 50972 1 683 . 1 . 1 64 64 GLY HA3 H 1 3.908 0.030 . 1 . . . . . 64 GLY HA3 . 50972 1 684 . 1 . 1 64 64 GLY C C 13 176.874 0.300 . 1 . . . . . 64 GLY C . 50972 1 685 . 1 . 1 64 64 GLY CA C 13 46.847 0.300 . 1 . . . . . 64 GLY CA . 50972 1 686 . 1 . 1 64 64 GLY N N 15 108.850 0.300 . 1 . . . . . 64 GLY N . 50972 1 687 . 1 . 1 65 65 LYS H H 1 8.372 0.030 . 1 . . . . . 65 LYS H . 50972 1 688 . 1 . 1 65 65 LYS HA H 1 4.013 0.030 . 1 . . . . . 65 LYS HA . 50972 1 689 . 1 . 1 65 65 LYS HB2 H 1 1.787 0.030 . 2 . . . . . 65 LYS HB2 . 50972 1 690 . 1 . 1 65 65 LYS HB3 H 1 1.727 0.030 . 2 . . . . . 65 LYS HB3 . 50972 1 691 . 1 . 1 65 65 LYS HG2 H 1 1.266 0.030 . 2 . . . . . 65 LYS HG2 . 50972 1 692 . 1 . 1 65 65 LYS HG3 H 1 1.611 0.030 . 2 . . . . . 65 LYS HG3 . 50972 1 693 . 1 . 1 65 65 LYS HD2 H 1 1.690 0.030 . 1 . . . . . 65 LYS HD2 . 50972 1 694 . 1 . 1 65 65 LYS HD3 H 1 1.690 0.030 . 1 . . . . . 65 LYS HD3 . 50972 1 695 . 1 . 1 65 65 LYS HE2 H 1 2.988 0.030 . 1 . . . . . 65 LYS HE2 . 50972 1 696 . 1 . 1 65 65 LYS HE3 H 1 2.988 0.030 . 1 . . . . . 65 LYS HE3 . 50972 1 697 . 1 . 1 65 65 LYS C C 13 177.889 0.300 . 1 . . . . . 65 LYS C . 50972 1 698 . 1 . 1 65 65 LYS CA C 13 59.723 0.300 . 1 . . . . . 65 LYS CA . 50972 1 699 . 1 . 1 65 65 LYS CB C 13 33.192 0.300 . 1 . . . . . 65 LYS CB . 50972 1 700 . 1 . 1 65 65 LYS CG C 13 26.251 0.300 . 1 . . . . . 65 LYS CG . 50972 1 701 . 1 . 1 65 65 LYS CD C 13 29.422 0.300 . 1 . . . . . 65 LYS CD . 50972 1 702 . 1 . 1 65 65 LYS CE C 13 42.196 0.300 . 1 . . . . . 65 LYS CE . 50972 1 703 . 1 . 1 65 65 LYS N N 15 123.207 0.300 . 1 . . . . . 65 LYS N . 50972 1 704 . 1 . 1 66 66 LEU H H 1 7.822 0.030 . 1 . . . . . 66 LEU H . 50972 1 705 . 1 . 1 66 66 LEU HA H 1 4.068 0.030 . 1 . . . . . 66 LEU HA . 50972 1 706 . 1 . 1 66 66 LEU HB2 H 1 1.960 0.030 . 2 . . . . . 66 LEU HB2 . 50972 1 707 . 1 . 1 66 66 LEU HB3 H 1 1.773 0.030 . 2 . . . . . 66 LEU HB3 . 50972 1 708 . 1 . 1 66 66 LEU HG H 1 1.973 0.030 . 1 . . . . . 66 LEU HG . 50972 1 709 . 1 . 1 66 66 LEU HD11 H 1 1.021 0.030 . 2 . . . . . 66 LEU HD1 . 50972 1 710 . 1 . 1 66 66 LEU HD12 H 1 1.021 0.030 . 2 . . . . . 66 LEU HD1 . 50972 1 711 . 1 . 1 66 66 LEU HD13 H 1 1.021 0.030 . 2 . . . . . 66 LEU HD1 . 50972 1 712 . 1 . 1 66 66 LEU HD21 H 1 1.007 0.030 . 2 . . . . . 66 LEU HD2 . 50972 1 713 . 1 . 1 66 66 LEU HD22 H 1 1.007 0.030 . 2 . . . . . 66 LEU HD2 . 50972 1 714 . 1 . 1 66 66 LEU HD23 H 1 1.007 0.030 . 2 . . . . . 66 LEU HD2 . 50972 1 715 . 1 . 1 66 66 LEU C C 13 179.036 0.300 . 1 . . . . . 66 LEU C . 50972 1 716 . 1 . 1 66 66 LEU CA C 13 58.955 0.300 . 1 . . . . . 66 LEU CA . 50972 1 717 . 1 . 1 66 66 LEU CB C 13 41.184 0.300 . 1 . . . . . 66 LEU CB . 50972 1 718 . 1 . 1 66 66 LEU CG C 13 27.081 0.300 . 1 . . . . . 66 LEU CG . 50972 1 719 . 1 . 1 66 66 LEU CD1 C 13 25.438 0.300 . 2 . . . . . 66 LEU CD1 . 50972 1 720 . 1 . 1 66 66 LEU CD2 C 13 23.937 0.300 . 2 . . . . . 66 LEU CD2 . 50972 1 721 . 1 . 1 66 66 LEU N N 15 117.997 0.300 . 1 . . . . . 66 LEU N . 50972 1 722 . 1 . 1 67 67 GLN H H 1 8.138 0.030 . 1 . . . . . 67 GLN H . 50972 1 723 . 1 . 1 67 67 GLN HA H 1 4.081 0.030 . 1 . . . . . 67 GLN HA . 50972 1 724 . 1 . 1 67 67 GLN HB2 H 1 2.087 0.030 . 2 . . . . . 67 GLN HB2 . 50972 1 725 . 1 . 1 67 67 GLN HB3 H 1 2.185 0.030 . 2 . . . . . 67 GLN HB3 . 50972 1 726 . 1 . 1 67 67 GLN HG2 H 1 2.486 0.030 . 1 . . . . . 67 GLN HG2 . 50972 1 727 . 1 . 1 67 67 GLN HG3 H 1 2.486 0.030 . 1 . . . . . 67 GLN HG3 . 50972 1 728 . 1 . 1 67 67 GLN HE21 H 1 7.622 0.030 . 2 . . . . . 67 GLN HE21 . 50972 1 729 . 1 . 1 67 67 GLN HE22 H 1 6.948 0.030 . 2 . . . . . 67 GLN HE22 . 50972 1 730 . 1 . 1 67 67 GLN C C 13 178.616 0.300 . 1 . . . . . 67 GLN C . 50972 1 731 . 1 . 1 67 67 GLN CA C 13 58.938 0.300 . 1 . . . . . 67 GLN CA . 50972 1 732 . 1 . 1 67 67 GLN CB C 13 28.503 0.300 . 1 . . . . . 67 GLN CB . 50972 1 733 . 1 . 1 67 67 GLN CG C 13 33.895 0.300 . 1 . . . . . 67 GLN CG . 50972 1 734 . 1 . 1 67 67 GLN N N 15 117.526 0.300 . 1 . . . . . 67 GLN N . 50972 1 735 . 1 . 1 67 67 GLN NE2 N 15 112.325 0.300 . 1 . . . . . 67 GLN NE2 . 50972 1 736 . 1 . 1 68 68 ALA H H 1 7.898 0.030 . 1 . . . . . 68 ALA H . 50972 1 737 . 1 . 1 68 68 ALA HA H 1 4.106 0.030 . 1 . . . . . 68 ALA HA . 50972 1 738 . 1 . 1 68 68 ALA HB1 H 1 1.488 0.030 . 1 . . . . . 68 ALA HB . 50972 1 739 . 1 . 1 68 68 ALA HB2 H 1 1.488 0.030 . 1 . . . . . 68 ALA HB . 50972 1 740 . 1 . 1 68 68 ALA HB3 H 1 1.488 0.030 . 1 . . . . . 68 ALA HB . 50972 1 741 . 1 . 1 68 68 ALA C C 13 181.233 0.300 . 1 . . . . . 68 ALA C . 50972 1 742 . 1 . 1 68 68 ALA CA C 13 55.258 0.300 . 1 . . . . . 68 ALA CA . 50972 1 743 . 1 . 1 68 68 ALA CB C 13 18.295 0.300 . 1 . . . . . 68 ALA CB . 50972 1 744 . 1 . 1 68 68 ALA N N 15 121.080 0.300 . 1 . . . . . 68 ALA N . 50972 1 745 . 1 . 1 69 69 LEU H H 1 7.943 0.030 . 1 . . . . . 69 LEU H . 50972 1 746 . 1 . 1 69 69 LEU HA H 1 3.752 0.030 . 1 . . . . . 69 LEU HA . 50972 1 747 . 1 . 1 69 69 LEU HB2 H 1 1.536 0.030 . 2 . . . . . 69 LEU HB2 . 50972 1 748 . 1 . 1 69 69 LEU HB3 H 1 0.071 0.030 . 2 . . . . . 69 LEU HB3 . 50972 1 749 . 1 . 1 69 69 LEU HG H 1 1.616 0.030 . 1 . . . . . 69 LEU HG . 50972 1 750 . 1 . 1 69 69 LEU HD11 H 1 0.626 0.030 . 2 . . . . . 69 LEU HD1 . 50972 1 751 . 1 . 1 69 69 LEU HD12 H 1 0.626 0.030 . 2 . . . . . 69 LEU HD1 . 50972 1 752 . 1 . 1 69 69 LEU HD13 H 1 0.626 0.030 . 2 . . . . . 69 LEU HD1 . 50972 1 753 . 1 . 1 69 69 LEU HD21 H 1 0.420 0.030 . 2 . . . . . 69 LEU HD2 . 50972 1 754 . 1 . 1 69 69 LEU HD22 H 1 0.420 0.030 . 2 . . . . . 69 LEU HD2 . 50972 1 755 . 1 . 1 69 69 LEU HD23 H 1 0.420 0.030 . 2 . . . . . 69 LEU HD2 . 50972 1 756 . 1 . 1 69 69 LEU C C 13 178.401 0.300 . 1 . . . . . 69 LEU C . 50972 1 757 . 1 . 1 69 69 LEU CA C 13 57.667 0.300 . 1 . . . . . 69 LEU CA . 50972 1 758 . 1 . 1 69 69 LEU CB C 13 40.195 0.300 . 1 . . . . . 69 LEU CB . 50972 1 759 . 1 . 1 69 69 LEU CG C 13 26.693 0.300 . 1 . . . . . 69 LEU CG . 50972 1 760 . 1 . 1 69 69 LEU CD1 C 13 26.693 0.300 . 2 . . . . . 69 LEU CD1 . 50972 1 761 . 1 . 1 69 69 LEU CD2 C 13 23.437 0.300 . 2 . . . . . 69 LEU CD2 . 50972 1 762 . 1 . 1 69 69 LEU N N 15 121.298 0.300 . 1 . . . . . 69 LEU N . 50972 1 763 . 1 . 1 70 70 ASN H H 1 8.516 0.030 . 1 . . . . . 70 ASN H . 50972 1 764 . 1 . 1 70 70 ASN HA H 1 4.474 0.030 . 1 . . . . . 70 ASN HA . 50972 1 765 . 1 . 1 70 70 ASN HB2 H 1 3.142 0.030 . 2 . . . . . 70 ASN HB2 . 50972 1 766 . 1 . 1 70 70 ASN HB3 H 1 2.479 0.030 . 2 . . . . . 70 ASN HB3 . 50972 1 767 . 1 . 1 70 70 ASN HD21 H 1 6.192 0.030 . 2 . . . . . 70 ASN HD21 . 50972 1 768 . 1 . 1 70 70 ASN HD22 H 1 7.734 0.030 . 2 . . . . . 70 ASN HD22 . 50972 1 769 . 1 . 1 70 70 ASN C C 13 178.245 0.300 . 1 . . . . . 70 ASN C . 50972 1 770 . 1 . 1 70 70 ASN CA C 13 56.409 0.300 . 1 . . . . . 70 ASN CA . 50972 1 771 . 1 . 1 70 70 ASN CB C 13 37.006 0.300 . 1 . . . . . 70 ASN CB . 50972 1 772 . 1 . 1 70 70 ASN N N 15 119.549 0.300 . 1 . . . . . 70 ASN N . 50972 1 773 . 1 . 1 70 70 ASN ND2 N 15 106.590 0.300 . 1 . . . . . 70 ASN ND2 . 50972 1 774 . 1 . 1 71 71 MET H H 1 8.353 0.030 . 1 . . . . . 71 MET H . 50972 1 775 . 1 . 1 71 71 MET HA H 1 4.230 0.030 . 1 . . . . . 71 MET HA . 50972 1 776 . 1 . 1 71 71 MET HB2 H 1 2.287 0.030 . 2 . . . . . 71 MET HB2 . 50972 1 777 . 1 . 1 71 71 MET HB3 H 1 2.213 0.030 . 2 . . . . . 71 MET HB3 . 50972 1 778 . 1 . 1 71 71 MET HG2 H 1 2.626 0.030 . 2 . . . . . 71 MET HG2 . 50972 1 779 . 1 . 1 71 71 MET HG3 H 1 2.804 0.030 . 2 . . . . . 71 MET HG3 . 50972 1 780 . 1 . 1 71 71 MET HE1 H 1 1.630 0.030 . 1 . . . . . 71 MET HE . 50972 1 781 . 1 . 1 71 71 MET HE2 H 1 1.630 0.030 . 1 . . . . . 71 MET HE . 50972 1 782 . 1 . 1 71 71 MET HE3 H 1 1.630 0.030 . 1 . . . . . 71 MET HE . 50972 1 783 . 1 . 1 71 71 MET C C 13 178.205 0.300 . 1 . . . . . 71 MET C . 50972 1 784 . 1 . 1 71 71 MET CA C 13 59.330 0.300 . 1 . . . . . 71 MET CA . 50972 1 785 . 1 . 1 71 71 MET CB C 13 32.691 0.300 . 1 . . . . . 71 MET CB . 50972 1 786 . 1 . 1 71 71 MET CG C 13 33.154 0.300 . 1 . . . . . 71 MET CG . 50972 1 787 . 1 . 1 71 71 MET CE C 13 16.747 0.300 . 1 . . . . . 71 MET CE . 50972 1 788 . 1 . 1 71 71 MET N N 15 117.940 0.300 . 1 . . . . . 71 MET N . 50972 1 789 . 1 . 1 72 72 ALA H H 1 8.125 0.030 . 1 . . . . . 72 ALA H . 50972 1 790 . 1 . 1 72 72 ALA HA H 1 4.008 0.030 . 1 . . . . . 72 ALA HA . 50972 1 791 . 1 . 1 72 72 ALA HB1 H 1 1.316 0.030 . 1 . . . . . 72 ALA HB . 50972 1 792 . 1 . 1 72 72 ALA HB2 H 1 1.316 0.030 . 1 . . . . . 72 ALA HB . 50972 1 793 . 1 . 1 72 72 ALA HB3 H 1 1.316 0.030 . 1 . . . . . 72 ALA HB . 50972 1 794 . 1 . 1 72 72 ALA C C 13 180.066 0.300 . 1 . . . . . 72 ALA C . 50972 1 795 . 1 . 1 72 72 ALA CA C 13 55.203 0.300 . 1 . . . . . 72 ALA CA . 50972 1 796 . 1 . 1 72 72 ALA CB C 13 17.324 0.300 . 1 . . . . . 72 ALA CB . 50972 1 797 . 1 . 1 72 72 ALA N N 15 123.881 0.300 . 1 . . . . . 72 ALA N . 50972 1 798 . 1 . 1 73 73 PHE H H 1 8.459 0.030 . 1 . . . . . 73 PHE H . 50972 1 799 . 1 . 1 73 73 PHE HA H 1 4.006 0.030 . 1 . . . . . 73 PHE HA . 50972 1 800 . 1 . 1 73 73 PHE HB2 H 1 3.407 0.030 . 2 . . . . . 73 PHE HB2 . 50972 1 801 . 1 . 1 73 73 PHE HB3 H 1 3.230 0.030 . 2 . . . . . 73 PHE HB3 . 50972 1 802 . 1 . 1 73 73 PHE HD1 H 1 7.145 0.030 . 1 . . . . . 73 PHE HD1 . 50972 1 803 . 1 . 1 73 73 PHE HD2 H 1 7.145 0.030 . 1 . . . . . 73 PHE HD2 . 50972 1 804 . 1 . 1 73 73 PHE HE1 H 1 7.014 0.030 . 1 . . . . . 73 PHE HE1 . 50972 1 805 . 1 . 1 73 73 PHE HE2 H 1 7.014 0.030 . 1 . . . . . 73 PHE HE2 . 50972 1 806 . 1 . 1 73 73 PHE HZ H 1 6.844 0.030 . 1 . . . . . 73 PHE HZ . 50972 1 807 . 1 . 1 73 73 PHE C C 13 176.794 0.300 . 1 . . . . . 73 PHE C . 50972 1 808 . 1 . 1 73 73 PHE CA C 13 61.707 0.300 . 1 . . . . . 73 PHE CA . 50972 1 809 . 1 . 1 73 73 PHE CB C 13 39.945 0.300 . 1 . . . . . 73 PHE CB . 50972 1 810 . 1 . 1 73 73 PHE N N 15 118.663 0.300 . 1 . . . . . 73 PHE N . 50972 1 811 . 1 . 1 74 74 ALA H H 1 8.944 0.030 . 1 . . . . . 74 ALA H . 50972 1 812 . 1 . 1 74 74 ALA HA H 1 3.788 0.030 . 1 . . . . . 74 ALA HA . 50972 1 813 . 1 . 1 74 74 ALA HB1 H 1 1.685 0.030 . 1 . . . . . 74 ALA HB . 50972 1 814 . 1 . 1 74 74 ALA HB2 H 1 1.685 0.030 . 1 . . . . . 74 ALA HB . 50972 1 815 . 1 . 1 74 74 ALA HB3 H 1 1.685 0.030 . 1 . . . . . 74 ALA HB . 50972 1 816 . 1 . 1 74 74 ALA C C 13 178.998 0.300 . 1 . . . . . 74 ALA C . 50972 1 817 . 1 . 1 74 74 ALA CA C 13 55.474 0.300 . 1 . . . . . 74 ALA CA . 50972 1 818 . 1 . 1 74 74 ALA CB C 13 21.233 0.300 . 1 . . . . . 74 ALA CB . 50972 1 819 . 1 . 1 74 74 ALA N N 15 119.468 0.300 . 1 . . . . . 74 ALA N . 50972 1 820 . 1 . 1 75 75 SER H H 1 8.682 0.030 . 1 . . . . . 75 SER H . 50972 1 821 . 1 . 1 75 75 SER HA H 1 3.347 0.030 . 1 . . . . . 75 SER HA . 50972 1 822 . 1 . 1 75 75 SER HB2 H 1 3.346 0.030 . 1 . . . . . 75 SER HB2 . 50972 1 823 . 1 . 1 75 75 SER HB3 H 1 3.346 0.030 . 1 . . . . . 75 SER HB3 . 50972 1 824 . 1 . 1 75 75 SER C C 13 177.364 0.300 . 1 . . . . . 75 SER C . 50972 1 825 . 1 . 1 75 75 SER CA C 13 61.957 0.300 . 1 . . . . . 75 SER CA . 50972 1 826 . 1 . 1 75 75 SER CB C 13 62.207 0.300 . 1 . . . . . 75 SER CB . 50972 1 827 . 1 . 1 75 75 SER N N 15 112.648 0.300 . 1 . . . . . 75 SER N . 50972 1 828 . 1 . 1 76 76 SER H H 1 7.338 0.030 . 1 . . . . . 76 SER H . 50972 1 829 . 1 . 1 76 76 SER HA H 1 4.209 0.030 . 1 . . . . . 76 SER HA . 50972 1 830 . 1 . 1 76 76 SER HB2 H 1 3.822 0.030 . 2 . . . . . 76 SER HB2 . 50972 1 831 . 1 . 1 76 76 SER HB3 H 1 3.726 0.030 . 2 . . . . . 76 SER HB3 . 50972 1 832 . 1 . 1 76 76 SER C C 13 176.885 0.300 . 1 . . . . . 76 SER C . 50972 1 833 . 1 . 1 76 76 SER CA C 13 62.256 0.300 . 1 . . . . . 76 SER CA . 50972 1 834 . 1 . 1 76 76 SER CB C 13 63.095 0.300 . 1 . . . . . 76 SER CB . 50972 1 835 . 1 . 1 76 76 SER N N 15 116.660 0.300 . 1 . . . . . 76 SER N . 50972 1 836 . 1 . 1 77 77 MET H H 1 7.788 0.030 . 1 . . . . . 77 MET H . 50972 1 837 . 1 . 1 77 77 MET HA H 1 4.430 0.030 . 1 . . . . . 77 MET HA . 50972 1 838 . 1 . 1 77 77 MET HB2 H 1 1.972 0.030 . 2 . . . . . 77 MET HB2 . 50972 1 839 . 1 . 1 77 77 MET HB3 H 1 2.058 0.030 . 2 . . . . . 77 MET HB3 . 50972 1 840 . 1 . 1 77 77 MET HG2 H 1 2.535 0.030 . 2 . . . . . 77 MET HG2 . 50972 1 841 . 1 . 1 77 77 MET HG3 H 1 2.457 0.030 . 2 . . . . . 77 MET HG3 . 50972 1 842 . 1 . 1 77 77 MET HE1 H 1 1.628 0.030 . 1 . . . . . 77 MET HE . 50972 1 843 . 1 . 1 77 77 MET HE2 H 1 1.628 0.030 . 1 . . . . . 77 MET HE . 50972 1 844 . 1 . 1 77 77 MET HE3 H 1 1.628 0.030 . 1 . . . . . 77 MET HE . 50972 1 845 . 1 . 1 77 77 MET C C 13 178.606 0.300 . 1 . . . . . 77 MET C . 50972 1 846 . 1 . 1 77 77 MET CA C 13 56.159 0.300 . 1 . . . . . 77 MET CA . 50972 1 847 . 1 . 1 77 77 MET CB C 13 32.687 0.300 . 1 . . . . . 77 MET CB . 50972 1 848 . 1 . 1 77 77 MET CG C 13 32.691 0.300 . 1 . . . . . 77 MET CG . 50972 1 849 . 1 . 1 77 77 MET CE C 13 18.622 0.300 . 1 . . . . . 77 MET CE . 50972 1 850 . 1 . 1 77 77 MET N N 15 118.250 0.300 . 1 . . . . . 77 MET N . 50972 1 851 . 1 . 1 78 78 ALA H H 1 8.584 0.030 . 1 . . . . . 78 ALA H . 50972 1 852 . 1 . 1 78 78 ALA HA H 1 3.924 0.030 . 1 . . . . . 78 ALA HA . 50972 1 853 . 1 . 1 78 78 ALA HB1 H 1 1.523 0.030 . 1 . . . . . 78 ALA HB . 50972 1 854 . 1 . 1 78 78 ALA HB2 H 1 1.523 0.030 . 1 . . . . . 78 ALA HB . 50972 1 855 . 1 . 1 78 78 ALA HB3 H 1 1.523 0.030 . 1 . . . . . 78 ALA HB . 50972 1 856 . 1 . 1 78 78 ALA C C 13 178.883 0.300 . 1 . . . . . 78 ALA C . 50972 1 857 . 1 . 1 78 78 ALA CA C 13 55.203 0.300 . 1 . . . . . 78 ALA CA . 50972 1 858 . 1 . 1 78 78 ALA CB C 13 19.260 0.300 . 1 . . . . . 78 ALA CB . 50972 1 859 . 1 . 1 78 78 ALA N N 15 122.008 0.300 . 1 . . . . . 78 ALA N . 50972 1 860 . 1 . 1 79 79 GLU H H 1 7.396 0.030 . 1 . . . . . 79 GLU H . 50972 1 861 . 1 . 1 79 79 GLU HA H 1 3.991 0.030 . 1 . . . . . 79 GLU HA . 50972 1 862 . 1 . 1 79 79 GLU HB2 H 1 2.081 0.030 . 1 . . . . . 79 GLU HB2 . 50972 1 863 . 1 . 1 79 79 GLU HB3 H 1 2.081 0.030 . 1 . . . . . 79 GLU HB3 . 50972 1 864 . 1 . 1 79 79 GLU HG2 H 1 2.232 0.030 . 2 . . . . . 79 GLU HG2 . 50972 1 865 . 1 . 1 79 79 GLU HG3 H 1 2.407 0.030 . 2 . . . . . 79 GLU HG3 . 50972 1 866 . 1 . 1 79 79 GLU C C 13 178.529 0.300 . 1 . . . . . 79 GLU C . 50972 1 867 . 1 . 1 79 79 GLU CA C 13 58.955 0.300 . 1 . . . . . 79 GLU CA . 50972 1 868 . 1 . 1 79 79 GLU CB C 13 29.837 0.300 . 1 . . . . . 79 GLU CB . 50972 1 869 . 1 . 1 79 79 GLU CG C 13 36.244 0.300 . 1 . . . . . 79 GLU CG . 50972 1 870 . 1 . 1 79 79 GLU N N 15 115.546 0.300 . 1 . . . . . 79 GLU N . 50972 1 871 . 1 . 1 80 80 ILE H H 1 7.312 0.030 . 1 . . . . . 80 ILE H . 50972 1 872 . 1 . 1 80 80 ILE HA H 1 3.975 0.030 . 1 . . . . . 80 ILE HA . 50972 1 873 . 1 . 1 80 80 ILE HB H 1 1.936 0.030 . 1 . . . . . 80 ILE HB . 50972 1 874 . 1 . 1 80 80 ILE HG12 H 1 1.656 0.030 . 2 . . . . . 80 ILE HG12 . 50972 1 875 . 1 . 1 80 80 ILE HG13 H 1 1.329 0.030 . 2 . . . . . 80 ILE HG13 . 50972 1 876 . 1 . 1 80 80 ILE HG21 H 1 0.946 0.030 . 1 . . . . . 80 ILE HG2 . 50972 1 877 . 1 . 1 80 80 ILE HG22 H 1 0.946 0.030 . 1 . . . . . 80 ILE HG2 . 50972 1 878 . 1 . 1 80 80 ILE HG23 H 1 0.946 0.030 . 1 . . . . . 80 ILE HG2 . 50972 1 879 . 1 . 1 80 80 ILE HD11 H 1 0.774 0.030 . 1 . . . . . 80 ILE HD1 . 50972 1 880 . 1 . 1 80 80 ILE HD12 H 1 0.774 0.030 . 1 . . . . . 80 ILE HD1 . 50972 1 881 . 1 . 1 80 80 ILE HD13 H 1 0.774 0.030 . 1 . . . . . 80 ILE HD1 . 50972 1 882 . 1 . 1 80 80 ILE C C 13 177.656 0.300 . 1 . . . . . 80 ILE C . 50972 1 883 . 1 . 1 80 80 ILE CA C 13 63.038 0.300 . 1 . . . . . 80 ILE CA . 50972 1 884 . 1 . 1 80 80 ILE CB C 13 38.695 0.300 . 1 . . . . . 80 ILE CB . 50972 1 885 . 1 . 1 80 80 ILE CG1 C 13 28.689 0.300 . 1 . . . . . 80 ILE CG1 . 50972 1 886 . 1 . 1 80 80 ILE CG2 C 13 18.184 0.300 . 1 . . . . . 80 ILE CG2 . 50972 1 887 . 1 . 1 80 80 ILE CD1 C 13 13.431 0.300 . 1 . . . . . 80 ILE CD1 . 50972 1 888 . 1 . 1 80 80 ILE N N 15 117.662 0.300 . 1 . . . . . 80 ILE N . 50972 1 889 . 1 . 1 81 81 ALA H H 1 8.331 0.030 . 1 . . . . . 81 ALA H . 50972 1 890 . 1 . 1 81 81 ALA HA H 1 4.103 0.030 . 1 . . . . . 81 ALA HA . 50972 1 891 . 1 . 1 81 81 ALA HB1 H 1 1.389 0.030 . 1 . . . . . 81 ALA HB . 50972 1 892 . 1 . 1 81 81 ALA HB2 H 1 1.389 0.030 . 1 . . . . . 81 ALA HB . 50972 1 893 . 1 . 1 81 81 ALA HB3 H 1 1.389 0.030 . 1 . . . . . 81 ALA HB . 50972 1 894 . 1 . 1 81 81 ALA C C 13 176.445 0.300 . 1 . . . . . 81 ALA C . 50972 1 895 . 1 . 1 81 81 ALA CA C 13 54.009 0.300 . 1 . . . . . 81 ALA CA . 50972 1 896 . 1 . 1 81 81 ALA CB C 13 18.808 0.300 . 1 . . . . . 81 ALA CB . 50972 1 897 . 1 . 1 81 81 ALA N N 15 120.149 0.300 . 1 . . . . . 81 ALA N . 50972 1 898 . 1 . 1 82 82 ALA H H 1 7.654 0.030 . 1 . . . . . 82 ALA H . 50972 1 899 . 1 . 1 82 82 ALA HA H 1 4.322 0.030 . 1 . . . . . 82 ALA HA . 50972 1 900 . 1 . 1 82 82 ALA HB1 H 1 1.472 0.030 . 1 . . . . . 82 ALA HB . 50972 1 901 . 1 . 1 82 82 ALA HB2 H 1 1.472 0.030 . 1 . . . . . 82 ALA HB . 50972 1 902 . 1 . 1 82 82 ALA HB3 H 1 1.472 0.030 . 1 . . . . . 82 ALA HB . 50972 1 903 . 1 . 1 82 82 ALA C C 13 177.597 0.300 . 1 . . . . . 82 ALA C . 50972 1 904 . 1 . 1 82 82 ALA CA C 13 52.702 0.300 . 1 . . . . . 82 ALA CA . 50972 1 905 . 1 . 1 82 82 ALA CB C 13 19.158 0.300 . 1 . . . . . 82 ALA CB . 50972 1 906 . 1 . 1 82 82 ALA N N 15 115.952 0.300 . 1 . . . . . 82 ALA N . 50972 1 907 . 1 . 1 83 83 VAL H H 1 7.422 0.030 . 1 . . . . . 83 VAL H . 50972 1 908 . 1 . 1 83 83 VAL HA H 1 4.003 0.030 . 1 . . . . . 83 VAL HA . 50972 1 909 . 1 . 1 83 83 VAL HB H 1 2.138 0.030 . 1 . . . . . 83 VAL HB . 50972 1 910 . 1 . 1 83 83 VAL HG11 H 1 1.065 0.030 . 2 . . . . . 83 VAL HG1 . 50972 1 911 . 1 . 1 83 83 VAL HG12 H 1 1.065 0.030 . 2 . . . . . 83 VAL HG1 . 50972 1 912 . 1 . 1 83 83 VAL HG13 H 1 1.065 0.030 . 2 . . . . . 83 VAL HG1 . 50972 1 913 . 1 . 1 83 83 VAL HG21 H 1 0.999 0.030 . 2 . . . . . 83 VAL HG2 . 50972 1 914 . 1 . 1 83 83 VAL HG22 H 1 0.999 0.030 . 2 . . . . . 83 VAL HG2 . 50972 1 915 . 1 . 1 83 83 VAL HG23 H 1 0.999 0.030 . 2 . . . . . 83 VAL HG2 . 50972 1 916 . 1 . 1 83 83 VAL C C 13 176.185 0.300 . 1 . . . . . 83 VAL C . 50972 1 917 . 1 . 1 83 83 VAL CA C 13 63.158 0.300 . 1 . . . . . 83 VAL CA . 50972 1 918 . 1 . 1 83 83 VAL CB C 13 32.559 0.300 . 1 . . . . . 83 VAL CB . 50972 1 919 . 1 . 1 83 83 VAL CG1 C 13 21.325 0.300 . 2 . . . . . 83 VAL CG1 . 50972 1 920 . 1 . 1 83 83 VAL CG2 C 13 21.325 0.300 . 2 . . . . . 83 VAL CG2 . 50972 1 921 . 1 . 1 83 83 VAL N N 15 117.261 0.300 . 1 . . . . . 83 VAL N . 50972 1 922 . 1 . 1 84 84 GLU H H 1 8.560 0.030 . 1 . . . . . 84 GLU H . 50972 1 923 . 1 . 1 84 84 GLU HA H 1 4.362 0.030 . 1 . . . . . 84 GLU HA . 50972 1 924 . 1 . 1 84 84 GLU HB2 H 1 2.014 0.030 . 2 . . . . . 84 GLU HB2 . 50972 1 925 . 1 . 1 84 84 GLU HB3 H 1 2.087 0.030 . 2 . . . . . 84 GLU HB3 . 50972 1 926 . 1 . 1 84 84 GLU HG2 H 1 2.330 0.030 . 2 . . . . . 84 GLU HG2 . 50972 1 927 . 1 . 1 84 84 GLU HG3 H 1 2.247 0.030 . 2 . . . . . 84 GLU HG3 . 50972 1 928 . 1 . 1 84 84 GLU C C 13 176.498 0.300 . 1 . . . . . 84 GLU C . 50972 1 929 . 1 . 1 84 84 GLU CA C 13 56.704 0.300 . 1 . . . . . 84 GLU CA . 50972 1 930 . 1 . 1 84 84 GLU CB C 13 30.190 0.300 . 1 . . . . . 84 GLU CB . 50972 1 931 . 1 . 1 84 84 GLU CG C 13 36.443 0.300 . 1 . . . . . 84 GLU CG . 50972 1 932 . 1 . 1 84 84 GLU N N 15 125.173 0.300 . 1 . . . . . 84 GLU N . 50972 1 933 . 1 . 1 85 85 GLN H H 1 8.297 0.030 . 1 . . . . . 85 GLN H . 50972 1 934 . 1 . 1 85 85 GLN HA H 1 4.392 0.030 . 1 . . . . . 85 GLN HA . 50972 1 935 . 1 . 1 85 85 GLN HB2 H 1 2.017 0.030 . 2 . . . . . 85 GLN HB2 . 50972 1 936 . 1 . 1 85 85 GLN HB3 H 1 2.149 0.030 . 2 . . . . . 85 GLN HB3 . 50972 1 937 . 1 . 1 85 85 GLN HG2 H 1 2.378 0.030 . 1 . . . . . 85 GLN HG2 . 50972 1 938 . 1 . 1 85 85 GLN HG3 H 1 2.378 0.030 . 1 . . . . . 85 GLN HG3 . 50972 1 939 . 1 . 1 85 85 GLN HE21 H 1 7.558 0.030 . 2 . . . . . 85 GLN HE21 . 50972 1 940 . 1 . 1 85 85 GLN HE22 H 1 6.948 0.030 . 2 . . . . . 85 GLN HE22 . 50972 1 941 . 1 . 1 85 85 GLN C C 13 176.589 0.300 . 1 . . . . . 85 GLN C . 50972 1 942 . 1 . 1 85 85 GLN CA C 13 56.954 0.300 . 1 . . . . . 85 GLN CA . 50972 1 943 . 1 . 1 85 85 GLN CB C 13 29.690 0.300 . 1 . . . . . 85 GLN CB . 50972 1 944 . 1 . 1 85 85 GLN CG C 13 33.942 0.300 . 1 . . . . . 85 GLN CG . 50972 1 945 . 1 . 1 85 85 GLN N N 15 121.881 0.300 . 1 . . . . . 85 GLN N . 50972 1 946 . 1 . 1 85 85 GLN NE2 N 15 112.361 0.300 . 1 . . . . . 85 GLN NE2 . 50972 1 947 . 1 . 1 86 86 GLY H H 1 8.622 0.030 . 1 . . . . . 86 GLY H . 50972 1 948 . 1 . 1 86 86 GLY HA2 H 1 4.076 0.030 . 2 . . . . . 86 GLY HA2 . 50972 1 949 . 1 . 1 86 86 GLY HA3 H 1 3.971 0.030 . 2 . . . . . 86 GLY HA3 . 50972 1 950 . 1 . 1 86 86 GLY C C 13 174.790 0.300 . 1 . . . . . 86 GLY C . 50972 1 951 . 1 . 1 86 86 GLY CA C 13 45.788 0.300 . 1 . . . . . 86 GLY CA . 50972 1 952 . 1 . 1 86 86 GLY N N 15 111.169 0.300 . 1 . . . . . 86 GLY N . 50972 1 953 . 1 . 1 87 87 GLY H H 1 8.428 0.030 . 1 . . . . . 87 GLY H . 50972 1 954 . 1 . 1 87 87 GLY HA2 H 1 4.034 0.030 . 2 . . . . . 87 GLY HA2 . 50972 1 955 . 1 . 1 87 87 GLY HA3 H 1 3.924 0.030 . 2 . . . . . 87 GLY HA3 . 50972 1 956 . 1 . 1 87 87 GLY C C 13 174.459 0.300 . 1 . . . . . 87 GLY C . 50972 1 957 . 1 . 1 87 87 GLY CA C 13 45.431 0.300 . 1 . . . . . 87 GLY CA . 50972 1 958 . 1 . 1 87 87 GLY N N 15 109.260 0.300 . 1 . . . . . 87 GLY N . 50972 1 959 . 1 . 1 88 88 LEU H H 1 8.108 0.030 . 1 . . . . . 88 LEU H . 50972 1 960 . 1 . 1 88 88 LEU HA H 1 4.468 0.030 . 1 . . . . . 88 LEU HA . 50972 1 961 . 1 . 1 88 88 LEU HB2 H 1 1.610 0.030 . 2 . . . . . 88 LEU HB2 . 50972 1 962 . 1 . 1 88 88 LEU HB3 H 1 1.671 0.030 . 2 . . . . . 88 LEU HB3 . 50972 1 963 . 1 . 1 88 88 LEU HG H 1 1.702 0.030 . 1 . . . . . 88 LEU HG . 50972 1 964 . 1 . 1 88 88 LEU HD11 H 1 0.889 0.030 . 2 . . . . . 88 LEU HD1 . 50972 1 965 . 1 . 1 88 88 LEU HD12 H 1 0.889 0.030 . 2 . . . . . 88 LEU HD1 . 50972 1 966 . 1 . 1 88 88 LEU HD13 H 1 0.889 0.030 . 2 . . . . . 88 LEU HD1 . 50972 1 967 . 1 . 1 88 88 LEU HD21 H 1 0.857 0.030 . 2 . . . . . 88 LEU HD2 . 50972 1 968 . 1 . 1 88 88 LEU HD22 H 1 0.857 0.030 . 2 . . . . . 88 LEU HD2 . 50972 1 969 . 1 . 1 88 88 LEU HD23 H 1 0.857 0.030 . 2 . . . . . 88 LEU HD2 . 50972 1 970 . 1 . 1 88 88 LEU C C 13 177.043 0.300 . 1 . . . . . 88 LEU C . 50972 1 971 . 1 . 1 88 88 LEU CA C 13 54.995 0.300 . 1 . . . . . 88 LEU CA . 50972 1 972 . 1 . 1 88 88 LEU CB C 13 42.943 0.300 . 1 . . . . . 88 LEU CB . 50972 1 973 . 1 . 1 88 88 LEU CG C 13 27.439 0.300 . 1 . . . . . 88 LEU CG . 50972 1 974 . 1 . 1 88 88 LEU CD1 C 13 25.222 0.300 . 2 . . . . . 88 LEU CD1 . 50972 1 975 . 1 . 1 88 88 LEU CD2 C 13 23.437 0.300 . 2 . . . . . 88 LEU CD2 . 50972 1 976 . 1 . 1 88 88 LEU N N 15 122.141 0.300 . 1 . . . . . 88 LEU N . 50972 1 977 . 1 . 1 89 89 SER H H 1 8.280 0.030 . 1 . . . . . 89 SER H . 50972 1 978 . 1 . 1 89 89 SER HA H 1 4.506 0.030 . 1 . . . . . 89 SER HA . 50972 1 979 . 1 . 1 89 89 SER HB2 H 1 4.048 0.030 . 2 . . . . . 89 SER HB2 . 50972 1 980 . 1 . 1 89 89 SER HB3 H 1 4.268 0.030 . 2 . . . . . 89 SER HB3 . 50972 1 981 . 1 . 1 89 89 SER C C 13 175.185 0.300 . 1 . . . . . 89 SER C . 50972 1 982 . 1 . 1 89 89 SER CA C 13 57.955 0.300 . 1 . . . . . 89 SER CA . 50972 1 983 . 1 . 1 89 89 SER CB C 13 64.708 0.300 . 1 . . . . . 89 SER CB . 50972 1 984 . 1 . 1 89 89 SER N N 15 116.036 0.300 . 1 . . . . . 89 SER N . 50972 1 985 . 1 . 1 90 90 VAL H H 1 8.521 0.030 . 1 . . . . . 90 VAL H . 50972 1 986 . 1 . 1 90 90 VAL HA H 1 3.899 0.030 . 1 . . . . . 90 VAL HA . 50972 1 987 . 1 . 1 90 90 VAL HB H 1 2.116 0.030 . 1 . . . . . 90 VAL HB . 50972 1 988 . 1 . 1 90 90 VAL HG11 H 1 1.095 0.030 . 2 . . . . . 90 VAL HG1 . 50972 1 989 . 1 . 1 90 90 VAL HG12 H 1 1.095 0.030 . 2 . . . . . 90 VAL HG1 . 50972 1 990 . 1 . 1 90 90 VAL HG13 H 1 1.095 0.030 . 2 . . . . . 90 VAL HG1 . 50972 1 991 . 1 . 1 90 90 VAL HG21 H 1 0.946 0.030 . 2 . . . . . 90 VAL HG2 . 50972 1 992 . 1 . 1 90 90 VAL HG22 H 1 0.946 0.030 . 2 . . . . . 90 VAL HG2 . 50972 1 993 . 1 . 1 90 90 VAL HG23 H 1 0.946 0.030 . 2 . . . . . 90 VAL HG2 . 50972 1 994 . 1 . 1 90 90 VAL C C 13 178.828 0.300 . 1 . . . . . 90 VAL C . 50972 1 995 . 1 . 1 90 90 VAL CA C 13 66.078 0.300 . 1 . . . . . 90 VAL CA . 50972 1 996 . 1 . 1 90 90 VAL CB C 13 31.949 0.300 . 1 . . . . . 90 VAL CB . 50972 1 997 . 1 . 1 90 90 VAL CG1 C 13 22.241 0.300 . 2 . . . . . 90 VAL CG1 . 50972 1 998 . 1 . 1 90 90 VAL CG2 C 13 20.894 0.300 . 2 . . . . . 90 VAL CG2 . 50972 1 999 . 1 . 1 90 90 VAL N N 15 121.531 0.300 . 1 . . . . . 90 VAL N . 50972 1 1000 . 1 . 1 91 91 ASP H H 1 8.419 0.030 . 1 . . . . . 91 ASP H . 50972 1 1001 . 1 . 1 91 91 ASP HA H 1 4.417 0.030 . 1 . . . . . 91 ASP HA . 50972 1 1002 . 1 . 1 91 91 ASP HB2 H 1 2.624 0.030 . 1 . . . . . 91 ASP HB2 . 50972 1 1003 . 1 . 1 91 91 ASP HB3 H 1 2.624 0.030 . 1 . . . . . 91 ASP HB3 . 50972 1 1004 . 1 . 1 91 91 ASP C C 13 177.714 0.300 . 1 . . . . . 91 ASP C . 50972 1 1005 . 1 . 1 91 91 ASP CA C 13 57.204 0.300 . 1 . . . . . 91 ASP CA . 50972 1 1006 . 1 . 1 91 91 ASP CB C 13 40.724 0.300 . 1 . . . . . 91 ASP CB . 50972 1 1007 . 1 . 1 91 91 ASP N N 15 121.448 0.300 . 1 . . . . . 91 ASP N . 50972 1 1008 . 1 . 1 92 92 ALA H H 1 8.043 0.030 . 1 . . . . . 92 ALA H . 50972 1 1009 . 1 . 1 92 92 ALA HA H 1 4.178 0.030 . 1 . . . . . 92 ALA HA . 50972 1 1010 . 1 . 1 92 92 ALA HB1 H 1 1.523 0.030 . 1 . . . . . 92 ALA HB . 50972 1 1011 . 1 . 1 92 92 ALA HB2 H 1 1.523 0.030 . 1 . . . . . 92 ALA HB . 50972 1 1012 . 1 . 1 92 92 ALA HB3 H 1 1.523 0.030 . 1 . . . . . 92 ALA HB . 50972 1 1013 . 1 . 1 92 92 ALA C C 13 181.931 0.300 . 1 . . . . . 92 ALA C . 50972 1 1014 . 1 . 1 92 92 ALA CA C 13 55.203 0.300 . 1 . . . . . 92 ALA CA . 50972 1 1015 . 1 . 1 92 92 ALA CB C 13 18.679 0.300 . 1 . . . . . 92 ALA CB . 50972 1 1016 . 1 . 1 92 92 ALA N N 15 122.698 0.300 . 1 . . . . . 92 ALA N . 50972 1 1017 . 1 . 1 93 93 LYS H H 1 8.381 0.030 . 1 . . . . . 93 LYS H . 50972 1 1018 . 1 . 1 93 93 LYS HA H 1 3.797 0.030 . 1 . . . . . 93 LYS HA . 50972 1 1019 . 1 . 1 93 93 LYS HB2 H 1 1.720 0.030 . 2 . . . . . 93 LYS HB2 . 50972 1 1020 . 1 . 1 93 93 LYS HB3 H 1 2.168 0.030 . 2 . . . . . 93 LYS HB3 . 50972 1 1021 . 1 . 1 93 93 LYS HG2 H 1 1.190 0.030 . 2 . . . . . 93 LYS HG2 . 50972 1 1022 . 1 . 1 93 93 LYS HG3 H 1 1.614 0.030 . 2 . . . . . 93 LYS HG3 . 50972 1 1023 . 1 . 1 93 93 LYS HD2 H 1 1.652 0.030 . 1 . . . . . 93 LYS HD2 . 50972 1 1024 . 1 . 1 93 93 LYS HD3 H 1 1.652 0.030 . 1 . . . . . 93 LYS HD3 . 50972 1 1025 . 1 . 1 93 93 LYS HE2 H 1 3.024 0.030 . 2 . . . . . 93 LYS HE2 . 50972 1 1026 . 1 . 1 93 93 LYS HE3 H 1 3.204 0.030 . 2 . . . . . 93 LYS HE3 . 50972 1 1027 . 1 . 1 93 93 LYS C C 13 178.661 0.300 . 1 . . . . . 93 LYS C . 50972 1 1028 . 1 . 1 93 93 LYS CA C 13 60.489 0.300 . 1 . . . . . 93 LYS CA . 50972 1 1029 . 1 . 1 93 93 LYS CB C 13 32.934 0.300 . 1 . . . . . 93 LYS CB . 50972 1 1030 . 1 . 1 93 93 LYS CG C 13 26.438 0.300 . 1 . . . . . 93 LYS CG . 50972 1 1031 . 1 . 1 93 93 LYS CD C 13 29.940 0.300 . 1 . . . . . 93 LYS CD . 50972 1 1032 . 1 . 1 93 93 LYS CE C 13 42.196 0.300 . 1 . . . . . 93 LYS CE . 50972 1 1033 . 1 . 1 93 93 LYS N N 15 118.764 0.300 . 1 . . . . . 93 LYS N . 50972 1 1034 . 1 . 1 94 94 THR H H 1 8.748 0.030 . 1 . . . . . 94 THR H . 50972 1 1035 . 1 . 1 94 94 THR HA H 1 3.832 0.030 . 1 . . . . . 94 THR HA . 50972 1 1036 . 1 . 1 94 94 THR HB H 1 4.344 0.030 . 1 . . . . . 94 THR HB . 50972 1 1037 . 1 . 1 94 94 THR HG1 H 1 4.970 0.030 . 1 . . . . . 94 THR HG1 . 50972 1 1038 . 1 . 1 94 94 THR HG21 H 1 1.243 0.030 . 1 . . . . . 94 THR HG2 . 50972 1 1039 . 1 . 1 94 94 THR HG22 H 1 1.243 0.030 . 1 . . . . . 94 THR HG2 . 50972 1 1040 . 1 . 1 94 94 THR HG23 H 1 1.243 0.030 . 1 . . . . . 94 THR HG2 . 50972 1 1041 . 1 . 1 94 94 THR C C 13 176.937 0.300 . 1 . . . . . 94 THR C . 50972 1 1042 . 1 . 1 94 94 THR CA C 13 67.838 0.300 . 1 . . . . . 94 THR CA . 50972 1 1043 . 1 . 1 94 94 THR CB C 13 67.876 0.300 . 1 . . . . . 94 THR CB . 50972 1 1044 . 1 . 1 94 94 THR CG2 C 13 22.042 0.300 . 1 . . . . . 94 THR CG2 . 50972 1 1045 . 1 . 1 94 94 THR N N 15 116.436 0.300 . 1 . . . . . 94 THR N . 50972 1 1046 . 1 . 1 95 95 ASN H H 1 8.479 0.030 . 1 . . . . . 95 ASN H . 50972 1 1047 . 1 . 1 95 95 ASN HA H 1 4.513 0.030 . 1 . . . . . 95 ASN HA . 50972 1 1048 . 1 . 1 95 95 ASN HB2 H 1 2.862 0.030 . 2 . . . . . 95 ASN HB2 . 50972 1 1049 . 1 . 1 95 95 ASN HB3 H 1 2.962 0.030 . 2 . . . . . 95 ASN HB3 . 50972 1 1050 . 1 . 1 95 95 ASN HD21 H 1 7.568 0.030 . 2 . . . . . 95 ASN HD21 . 50972 1 1051 . 1 . 1 95 95 ASN HD22 H 1 6.918 0.030 . 2 . . . . . 95 ASN HD22 . 50972 1 1052 . 1 . 1 95 95 ASN C C 13 176.805 0.300 . 1 . . . . . 95 ASN C . 50972 1 1053 . 1 . 1 95 95 ASN CA C 13 56.269 0.300 . 1 . . . . . 95 ASN CA . 50972 1 1054 . 1 . 1 95 95 ASN CB C 13 37.830 0.300 . 1 . . . . . 95 ASN CB . 50972 1 1055 . 1 . 1 95 95 ASN N N 15 121.287 0.300 . 1 . . . . . 95 ASN N . 50972 1 1056 . 1 . 1 95 95 ASN ND2 N 15 112.800 0.300 . 1 . . . . . 95 ASN ND2 . 50972 1 1057 . 1 . 1 96 96 ALA H H 1 7.846 0.030 . 1 . . . . . 96 ALA H . 50972 1 1058 . 1 . 1 96 96 ALA HA H 1 4.464 0.030 . 1 . . . . . 96 ALA HA . 50972 1 1059 . 1 . 1 96 96 ALA HB1 H 1 1.583 0.030 . 1 . . . . . 96 ALA HB . 50972 1 1060 . 1 . 1 96 96 ALA HB2 H 1 1.583 0.030 . 1 . . . . . 96 ALA HB . 50972 1 1061 . 1 . 1 96 96 ALA HB3 H 1 1.583 0.030 . 1 . . . . . 96 ALA HB . 50972 1 1062 . 1 . 1 96 96 ALA C C 13 181.944 0.300 . 1 . . . . . 96 ALA C . 50972 1 1063 . 1 . 1 96 96 ALA CA C 13 55.365 0.300 . 1 . . . . . 96 ALA CA . 50972 1 1064 . 1 . 1 96 96 ALA CB C 13 18.658 0.300 . 1 . . . . . 96 ALA CB . 50972 1 1065 . 1 . 1 96 96 ALA N N 15 122.344 0.300 . 1 . . . . . 96 ALA N . 50972 1 1066 . 1 . 1 97 97 ILE H H 1 8.480 0.030 . 1 . . . . . 97 ILE H . 50972 1 1067 . 1 . 1 97 97 ILE HA H 1 3.885 0.030 . 1 . . . . . 97 ILE HA . 50972 1 1068 . 1 . 1 97 97 ILE HB H 1 2.338 0.030 . 1 . . . . . 97 ILE HB . 50972 1 1069 . 1 . 1 97 97 ILE HG12 H 1 1.246 0.030 . 2 . . . . . 97 ILE HG12 . 50972 1 1070 . 1 . 1 97 97 ILE HG13 H 1 2.293 0.030 . 2 . . . . . 97 ILE HG13 . 50972 1 1071 . 1 . 1 97 97 ILE HG21 H 1 1.073 0.030 . 1 . . . . . 97 ILE HG2 . 50972 1 1072 . 1 . 1 97 97 ILE HG22 H 1 1.073 0.030 . 1 . . . . . 97 ILE HG2 . 50972 1 1073 . 1 . 1 97 97 ILE HG23 H 1 1.073 0.030 . 1 . . . . . 97 ILE HG2 . 50972 1 1074 . 1 . 1 97 97 ILE HD11 H 1 0.954 0.030 . 1 . . . . . 97 ILE HD1 . 50972 1 1075 . 1 . 1 97 97 ILE HD12 H 1 0.954 0.030 . 1 . . . . . 97 ILE HD1 . 50972 1 1076 . 1 . 1 97 97 ILE HD13 H 1 0.954 0.030 . 1 . . . . . 97 ILE HD1 . 50972 1 1077 . 1 . 1 97 97 ILE C C 13 177.377 0.300 . 1 . . . . . 97 ILE C . 50972 1 1078 . 1 . 1 97 97 ILE CA C 13 66.209 0.300 . 1 . . . . . 97 ILE CA . 50972 1 1079 . 1 . 1 97 97 ILE CB C 13 38.194 0.300 . 1 . . . . . 97 ILE CB . 50972 1 1080 . 1 . 1 97 97 ILE CG1 C 13 30.537 0.300 . 1 . . . . . 97 ILE CG1 . 50972 1 1081 . 1 . 1 97 97 ILE CG2 C 13 16.706 0.300 . 1 . . . . . 97 ILE CG2 . 50972 1 1082 . 1 . 1 97 97 ILE CD1 C 13 14.189 0.300 . 1 . . . . . 97 ILE CD1 . 50972 1 1083 . 1 . 1 97 97 ILE N N 15 121.587 0.300 . 1 . . . . . 97 ILE N . 50972 1 1084 . 1 . 1 98 98 ALA H H 1 8.619 0.030 . 1 . . . . . 98 ALA H . 50972 1 1085 . 1 . 1 98 98 ALA HA H 1 4.129 0.030 . 1 . . . . . 98 ALA HA . 50972 1 1086 . 1 . 1 98 98 ALA HB1 H 1 1.605 0.030 . 1 . . . . . 98 ALA HB . 50972 1 1087 . 1 . 1 98 98 ALA HB2 H 1 1.605 0.030 . 1 . . . . . 98 ALA HB . 50972 1 1088 . 1 . 1 98 98 ALA HB3 H 1 1.605 0.030 . 1 . . . . . 98 ALA HB . 50972 1 1089 . 1 . 1 98 98 ALA C C 13 179.539 0.300 . 1 . . . . . 98 ALA C . 50972 1 1090 . 1 . 1 98 98 ALA CA C 13 56.454 0.300 . 1 . . . . . 98 ALA CA . 50972 1 1091 . 1 . 1 98 98 ALA CB C 13 18.259 0.300 . 1 . . . . . 98 ALA CB . 50972 1 1092 . 1 . 1 98 98 ALA N N 15 123.557 0.300 . 1 . . . . . 98 ALA N . 50972 1 1093 . 1 . 1 99 99 ASP H H 1 8.964 0.030 . 1 . . . . . 99 ASP H . 50972 1 1094 . 1 . 1 99 99 ASP HA H 1 4.552 0.030 . 1 . . . . . 99 ASP HA . 50972 1 1095 . 1 . 1 99 99 ASP HB2 H 1 2.826 0.030 . 1 . . . . . 99 ASP HB2 . 50972 1 1096 . 1 . 1 99 99 ASP HB3 H 1 2.826 0.030 . 1 . . . . . 99 ASP HB3 . 50972 1 1097 . 1 . 1 99 99 ASP C C 13 180.050 0.300 . 1 . . . . . 99 ASP C . 50972 1 1098 . 1 . 1 99 99 ASP CA C 13 57.660 0.300 . 1 . . . . . 99 ASP CA . 50972 1 1099 . 1 . 1 99 99 ASP CB C 13 40.279 0.300 . 1 . . . . . 99 ASP CB . 50972 1 1100 . 1 . 1 99 99 ASP N N 15 118.676 0.300 . 1 . . . . . 99 ASP N . 50972 1 1101 . 1 . 1 100 100 SER H H 1 8.099 0.030 . 1 . . . . . 100 SER H . 50972 1 1102 . 1 . 1 100 100 SER HA H 1 4.269 0.030 . 1 . . . . . 100 SER HA . 50972 1 1103 . 1 . 1 100 100 SER HB2 H 1 3.684 0.030 . 1 . . . . . 100 SER HB2 . 50972 1 1104 . 1 . 1 100 100 SER HB3 H 1 3.684 0.030 . 1 . . . . . 100 SER HB3 . 50972 1 1105 . 1 . 1 100 100 SER C C 13 176.453 0.300 . 1 . . . . . 100 SER C . 50972 1 1106 . 1 . 1 100 100 SER CA C 13 63.579 0.300 . 1 . . . . . 100 SER CA . 50972 1 1107 . 1 . 1 100 100 SER CB C 13 63.458 0.300 . 1 . . . . . 100 SER CB . 50972 1 1108 . 1 . 1 100 100 SER N N 15 117.998 0.300 . 1 . . . . . 100 SER N . 50972 1 1109 . 1 . 1 101 101 LEU H H 1 8.940 0.030 . 1 . . . . . 101 LEU H . 50972 1 1110 . 1 . 1 101 101 LEU HA H 1 4.181 0.030 . 1 . . . . . 101 LEU HA . 50972 1 1111 . 1 . 1 101 101 LEU HB2 H 1 1.610 0.030 . 2 . . . . . 101 LEU HB2 . 50972 1 1112 . 1 . 1 101 101 LEU HB3 H 1 2.624 0.030 . 2 . . . . . 101 LEU HB3 . 50972 1 1113 . 1 . 1 101 101 LEU HG H 1 2.383 0.030 . 1 . . . . . 101 LEU HG . 50972 1 1114 . 1 . 1 101 101 LEU HD11 H 1 0.818 0.030 . 2 . . . . . 101 LEU HD1 . 50972 1 1115 . 1 . 1 101 101 LEU HD12 H 1 0.818 0.030 . 2 . . . . . 101 LEU HD1 . 50972 1 1116 . 1 . 1 101 101 LEU HD13 H 1 0.818 0.030 . 2 . . . . . 101 LEU HD1 . 50972 1 1117 . 1 . 1 101 101 LEU HD21 H 1 1.075 0.030 . 2 . . . . . 101 LEU HD2 . 50972 1 1118 . 1 . 1 101 101 LEU HD22 H 1 1.075 0.030 . 2 . . . . . 101 LEU HD2 . 50972 1 1119 . 1 . 1 101 101 LEU HD23 H 1 1.075 0.030 . 2 . . . . . 101 LEU HD2 . 50972 1 1120 . 1 . 1 101 101 LEU C C 13 178.423 0.300 . 1 . . . . . 101 LEU C . 50972 1 1121 . 1 . 1 101 101 LEU CA C 13 58.239 0.300 . 1 . . . . . 101 LEU CA . 50972 1 1122 . 1 . 1 101 101 LEU CB C 13 43.697 0.300 . 1 . . . . . 101 LEU CB . 50972 1 1123 . 1 . 1 101 101 LEU CG C 13 26.688 0.300 . 1 . . . . . 101 LEU CG . 50972 1 1124 . 1 . 1 101 101 LEU CD1 C 13 25.146 0.300 . 2 . . . . . 101 LEU CD1 . 50972 1 1125 . 1 . 1 101 101 LEU CD2 C 13 27.439 0.300 . 2 . . . . . 101 LEU CD2 . 50972 1 1126 . 1 . 1 101 101 LEU N N 15 123.002 0.300 . 1 . . . . . 101 LEU N . 50972 1 1127 . 1 . 1 102 102 ASN H H 1 8.541 0.030 . 1 . . . . . 102 ASN H . 50972 1 1128 . 1 . 1 102 102 ASN HA H 1 4.832 0.030 . 1 . . . . . 102 ASN HA . 50972 1 1129 . 1 . 1 102 102 ASN HB2 H 1 3.060 0.030 . 1 . . . . . 102 ASN HB2 . 50972 1 1130 . 1 . 1 102 102 ASN HB3 H 1 3.060 0.030 . 1 . . . . . 102 ASN HB3 . 50972 1 1131 . 1 . 1 102 102 ASN HD21 H 1 7.943 0.030 . 2 . . . . . 102 ASN HD21 . 50972 1 1132 . 1 . 1 102 102 ASN HD22 H 1 6.869 0.030 . 2 . . . . . 102 ASN HD22 . 50972 1 1133 . 1 . 1 102 102 ASN C C 13 178.276 0.300 . 1 . . . . . 102 ASN C . 50972 1 1134 . 1 . 1 102 102 ASN CA C 13 57.255 0.300 . 1 . . . . . 102 ASN CA . 50972 1 1135 . 1 . 1 102 102 ASN CB C 13 38.908 0.300 . 1 . . . . . 102 ASN CB . 50972 1 1136 . 1 . 1 102 102 ASN N N 15 118.029 0.300 . 1 . . . . . 102 ASN N . 50972 1 1137 . 1 . 1 102 102 ASN ND2 N 15 113.598 0.300 . 1 . . . . . 102 ASN ND2 . 50972 1 1138 . 1 . 1 103 103 SER H H 1 8.294 0.030 . 1 . . . . . 103 SER H . 50972 1 1139 . 1 . 1 103 103 SER HA H 1 4.414 0.030 . 1 . . . . . 103 SER HA . 50972 1 1140 . 1 . 1 103 103 SER HB2 H 1 4.033 0.030 . 2 . . . . . 103 SER HB2 . 50972 1 1141 . 1 . 1 103 103 SER HB3 H 1 3.942 0.030 . 2 . . . . . 103 SER HB3 . 50972 1 1142 . 1 . 1 103 103 SER C C 13 176.764 0.300 . 1 . . . . . 103 SER C . 50972 1 1143 . 1 . 1 103 103 SER CA C 13 61.650 0.300 . 1 . . . . . 103 SER CA . 50972 1 1144 . 1 . 1 103 103 SER CB C 13 63.170 0.300 . 1 . . . . . 103 SER CB . 50972 1 1145 . 1 . 1 103 103 SER N N 15 114.623 0.300 . 1 . . . . . 103 SER N . 50972 1 1146 . 1 . 1 104 104 ALA H H 1 8.400 0.030 . 1 . . . . . 104 ALA H . 50972 1 1147 . 1 . 1 104 104 ALA HA H 1 3.909 0.030 . 1 . . . . . 104 ALA HA . 50972 1 1148 . 1 . 1 104 104 ALA HB1 H 1 1.000 0.030 . 1 . . . . . 104 ALA HB . 50972 1 1149 . 1 . 1 104 104 ALA HB2 H 1 1.000 0.030 . 1 . . . . . 104 ALA HB . 50972 1 1150 . 1 . 1 104 104 ALA HB3 H 1 1.000 0.030 . 1 . . . . . 104 ALA HB . 50972 1 1151 . 1 . 1 104 104 ALA C C 13 181.200 0.300 . 1 . . . . . 104 ALA C . 50972 1 1152 . 1 . 1 104 104 ALA CA C 13 55.454 0.300 . 1 . . . . . 104 ALA CA . 50972 1 1153 . 1 . 1 104 104 ALA CB C 13 18.118 0.300 . 1 . . . . . 104 ALA CB . 50972 1 1154 . 1 . 1 104 104 ALA N N 15 123.478 0.300 . 1 . . . . . 104 ALA N . 50972 1 1155 . 1 . 1 105 105 PHE H H 1 8.868 0.030 . 1 . . . . . 105 PHE H . 50972 1 1156 . 1 . 1 105 105 PHE HA H 1 4.173 0.030 . 1 . . . . . 105 PHE HA . 50972 1 1157 . 1 . 1 105 105 PHE HB2 H 1 3.230 0.030 . 2 . . . . . 105 PHE HB2 . 50972 1 1158 . 1 . 1 105 105 PHE HB3 H 1 3.730 0.030 . 2 . . . . . 105 PHE HB3 . 50972 1 1159 . 1 . 1 105 105 PHE HD1 H 1 7.263 0.030 . 1 . . . . . 105 PHE HD1 . 50972 1 1160 . 1 . 1 105 105 PHE HD2 H 1 7.263 0.030 . 1 . . . . . 105 PHE HD2 . 50972 1 1161 . 1 . 1 105 105 PHE HE1 H 1 6.788 0.030 . 1 . . . . . 105 PHE HE1 . 50972 1 1162 . 1 . 1 105 105 PHE HE2 H 1 6.788 0.030 . 1 . . . . . 105 PHE HE2 . 50972 1 1163 . 1 . 1 105 105 PHE HZ H 1 5.995 0.030 . 1 . . . . . 105 PHE HZ . 50972 1 1164 . 1 . 1 105 105 PHE C C 13 179.566 0.300 . 1 . . . . . 105 PHE C . 50972 1 1165 . 1 . 1 105 105 PHE CA C 13 64.600 0.300 . 1 . . . . . 105 PHE CA . 50972 1 1166 . 1 . 1 105 105 PHE CB C 13 38.183 0.300 . 1 . . . . . 105 PHE CB . 50972 1 1167 . 1 . 1 105 105 PHE CD1 C 13 132.270 0.300 . 1 . . . . . 105 PHE CD1 . 50972 1 1168 . 1 . 1 105 105 PHE CD2 C 13 132.270 0.300 . 1 . . . . . 105 PHE CD2 . 50972 1 1169 . 1 . 1 105 105 PHE CE1 C 13 130.822 0.300 . 1 . . . . . 105 PHE CE1 . 50972 1 1170 . 1 . 1 105 105 PHE CE2 C 13 130.822 0.300 . 1 . . . . . 105 PHE CE2 . 50972 1 1171 . 1 . 1 105 105 PHE N N 15 120.914 0.300 . 1 . . . . . 105 PHE N . 50972 1 1172 . 1 . 1 106 106 TYR H H 1 8.311 0.030 . 1 . . . . . 106 TYR H . 50972 1 1173 . 1 . 1 106 106 TYR HA H 1 3.966 0.030 . 1 . . . . . 106 TYR HA . 50972 1 1174 . 1 . 1 106 106 TYR HB2 H 1 3.142 0.030 . 1 . . . . . 106 TYR HB2 . 50972 1 1175 . 1 . 1 106 106 TYR HB3 H 1 3.142 0.030 . 1 . . . . . 106 TYR HB3 . 50972 1 1176 . 1 . 1 106 106 TYR HD1 H 1 7.014 0.030 . 1 . . . . . 106 TYR HD1 . 50972 1 1177 . 1 . 1 106 106 TYR HD2 H 1 7.014 0.030 . 1 . . . . . 106 TYR HD2 . 50972 1 1178 . 1 . 1 106 106 TYR HE1 H 1 6.818 0.030 . 1 . . . . . 106 TYR HE1 . 50972 1 1179 . 1 . 1 106 106 TYR HE2 H 1 6.818 0.030 . 1 . . . . . 106 TYR HE2 . 50972 1 1180 . 1 . 1 106 106 TYR C C 13 179.085 0.300 . 1 . . . . . 106 TYR C . 50972 1 1181 . 1 . 1 106 106 TYR CA C 13 62.957 0.300 . 1 . . . . . 106 TYR CA . 50972 1 1182 . 1 . 1 106 106 TYR CB C 13 38.069 0.300 . 1 . . . . . 106 TYR CB . 50972 1 1183 . 1 . 1 106 106 TYR CD1 C 13 132.555 0.300 . 1 . . . . . 106 TYR CD1 . 50972 1 1184 . 1 . 1 106 106 TYR CD2 C 13 132.555 0.300 . 1 . . . . . 106 TYR CD2 . 50972 1 1185 . 1 . 1 106 106 TYR CE1 C 13 118.524 0.300 . 1 . . . . . 106 TYR CE1 . 50972 1 1186 . 1 . 1 106 106 TYR CE2 C 13 118.524 0.300 . 1 . . . . . 106 TYR CE2 . 50972 1 1187 . 1 . 1 106 106 TYR N N 15 122.603 0.300 . 1 . . . . . 106 TYR N . 50972 1 1188 . 1 . 1 107 107 GLN H H 1 8.552 0.030 . 1 . . . . . 107 GLN H . 50972 1 1189 . 1 . 1 107 107 GLN HA H 1 4.009 0.030 . 1 . . . . . 107 GLN HA . 50972 1 1190 . 1 . 1 107 107 GLN HB2 H 1 2.052 0.030 . 2 . . . . . 107 GLN HB2 . 50972 1 1191 . 1 . 1 107 107 GLN HB3 H 1 2.176 0.030 . 2 . . . . . 107 GLN HB3 . 50972 1 1192 . 1 . 1 107 107 GLN HG2 H 1 2.627 0.030 . 2 . . . . . 107 GLN HG2 . 50972 1 1193 . 1 . 1 107 107 GLN HG3 H 1 2.470 0.030 . 2 . . . . . 107 GLN HG3 . 50972 1 1194 . 1 . 1 107 107 GLN HE21 H 1 7.327 0.030 . 2 . . . . . 107 GLN HE21 . 50972 1 1195 . 1 . 1 107 107 GLN HE22 H 1 6.952 0.030 . 2 . . . . . 107 GLN HE22 . 50972 1 1196 . 1 . 1 107 107 GLN C C 13 177.550 0.300 . 1 . . . . . 107 GLN C . 50972 1 1197 . 1 . 1 107 107 GLN CA C 13 58.764 0.300 . 1 . . . . . 107 GLN CA . 50972 1 1198 . 1 . 1 107 107 GLN CB C 13 29.766 0.300 . 1 . . . . . 107 GLN CB . 50972 1 1199 . 1 . 1 107 107 GLN CG C 13 34.296 0.300 . 1 . . . . . 107 GLN CG . 50972 1 1200 . 1 . 1 107 107 GLN N N 15 116.717 0.300 . 1 . . . . . 107 GLN N . 50972 1 1201 . 1 . 1 107 107 GLN NE2 N 15 111.445 0.300 . 1 . . . . . 107 GLN NE2 . 50972 1 1202 . 1 . 1 108 108 THR H H 1 7.740 0.030 . 1 . . . . . 108 THR H . 50972 1 1203 . 1 . 1 108 108 THR HA H 1 4.400 0.030 . 1 . . . . . 108 THR HA . 50972 1 1204 . 1 . 1 108 108 THR HB H 1 4.115 0.030 . 1 . . . . . 108 THR HB . 50972 1 1205 . 1 . 1 108 108 THR HG21 H 1 1.177 0.030 . 1 . . . . . 108 THR HG2 . 50972 1 1206 . 1 . 1 108 108 THR HG22 H 1 1.177 0.030 . 1 . . . . . 108 THR HG2 . 50972 1 1207 . 1 . 1 108 108 THR HG23 H 1 1.177 0.030 . 1 . . . . . 108 THR HG2 . 50972 1 1208 . 1 . 1 108 108 THR C C 13 176.166 0.300 . 1 . . . . . 108 THR C . 50972 1 1209 . 1 . 1 108 108 THR CA C 13 63.708 0.300 . 1 . . . . . 108 THR CA . 50972 1 1210 . 1 . 1 108 108 THR CB C 13 70.514 0.300 . 1 . . . . . 108 THR CB . 50972 1 1211 . 1 . 1 108 108 THR CG2 C 13 22.342 0.300 . 1 . . . . . 108 THR CG2 . 50972 1 1212 . 1 . 1 108 108 THR N N 15 106.225 0.300 . 1 . . . . . 108 THR N . 50972 1 1213 . 1 . 1 109 109 THR H H 1 8.334 0.030 . 1 . . . . . 109 THR H . 50972 1 1214 . 1 . 1 109 109 THR HA H 1 4.443 0.030 . 1 . . . . . 109 THR HA . 50972 1 1215 . 1 . 1 109 109 THR HB H 1 4.337 0.030 . 1 . . . . . 109 THR HB . 50972 1 1216 . 1 . 1 109 109 THR HG21 H 1 1.129 0.030 . 1 . . . . . 109 THR HG2 . 50972 1 1217 . 1 . 1 109 109 THR HG22 H 1 1.129 0.030 . 1 . . . . . 109 THR HG2 . 50972 1 1218 . 1 . 1 109 109 THR HG23 H 1 1.129 0.030 . 1 . . . . . 109 THR HG2 . 50972 1 1219 . 1 . 1 109 109 THR C C 13 175.822 0.300 . 1 . . . . . 109 THR C . 50972 1 1220 . 1 . 1 109 109 THR CA C 13 62.129 0.300 . 1 . . . . . 109 THR CA . 50972 1 1221 . 1 . 1 109 109 THR CB C 13 71.788 0.300 . 1 . . . . . 109 THR CB . 50972 1 1222 . 1 . 1 109 109 THR CG2 C 13 21.185 0.300 . 1 . . . . . 109 THR CG2 . 50972 1 1223 . 1 . 1 109 109 THR N N 15 111.059 0.300 . 1 . . . . . 109 THR N . 50972 1 1224 . 1 . 1 110 110 GLY H H 1 7.846 0.030 . 1 . . . . . 110 GLY H . 50972 1 1225 . 1 . 1 110 110 GLY HA2 H 1 4.213 0.030 . 2 . . . . . 110 GLY HA2 . 50972 1 1226 . 1 . 1 110 110 GLY HA3 H 1 3.706 0.030 . 2 . . . . . 110 GLY HA3 . 50972 1 1227 . 1 . 1 110 110 GLY C C 13 172.585 0.300 . 1 . . . . . 110 GLY C . 50972 1 1228 . 1 . 1 110 110 GLY CA C 13 45.698 0.300 . 1 . . . . . 110 GLY CA . 50972 1 1229 . 1 . 1 110 110 GLY N N 15 110.645 0.300 . 1 . . . . . 110 GLY N . 50972 1 1230 . 1 . 1 111 111 ALA H H 1 7.708 0.030 . 1 . . . . . 111 ALA H . 50972 1 1231 . 1 . 1 111 111 ALA HA H 1 4.496 0.030 . 1 . . . . . 111 ALA HA . 50972 1 1232 . 1 . 1 111 111 ALA HB1 H 1 1.284 0.030 . 1 . . . . . 111 ALA HB . 50972 1 1233 . 1 . 1 111 111 ALA HB2 H 1 1.284 0.030 . 1 . . . . . 111 ALA HB . 50972 1 1234 . 1 . 1 111 111 ALA HB3 H 1 1.284 0.030 . 1 . . . . . 111 ALA HB . 50972 1 1235 . 1 . 1 111 111 ALA C C 13 174.317 0.300 . 1 . . . . . 111 ALA C . 50972 1 1236 . 1 . 1 111 111 ALA CA C 13 51.147 0.300 . 1 . . . . . 111 ALA CA . 50972 1 1237 . 1 . 1 111 111 ALA CB C 13 22.047 0.300 . 1 . . . . . 111 ALA CB . 50972 1 1238 . 1 . 1 111 111 ALA N N 15 122.361 0.300 . 1 . . . . . 111 ALA N . 50972 1 1239 . 1 . 1 112 112 ALA H H 1 7.960 0.030 . 1 . . . . . 112 ALA H . 50972 1 1240 . 1 . 1 112 112 ALA HA H 1 4.080 0.030 . 1 . . . . . 112 ALA HA . 50972 1 1241 . 1 . 1 112 112 ALA HB1 H 1 1.383 0.030 . 1 . . . . . 112 ALA HB . 50972 1 1242 . 1 . 1 112 112 ALA HB2 H 1 1.383 0.030 . 1 . . . . . 112 ALA HB . 50972 1 1243 . 1 . 1 112 112 ALA HB3 H 1 1.383 0.030 . 1 . . . . . 112 ALA HB . 50972 1 1244 . 1 . 1 112 112 ALA C C 13 177.738 0.300 . 1 . . . . . 112 ALA C . 50972 1 1245 . 1 . 1 112 112 ALA CA C 13 51.743 0.300 . 1 . . . . . 112 ALA CA . 50972 1 1246 . 1 . 1 112 112 ALA CB C 13 20.081 0.300 . 1 . . . . . 112 ALA CB . 50972 1 1247 . 1 . 1 112 112 ALA N N 15 119.815 0.300 . 1 . . . . . 112 ALA N . 50972 1 1248 . 1 . 1 113 113 ASN H H 1 8.346 0.030 . 1 . . . . . 113 ASN H . 50972 1 1249 . 1 . 1 113 113 ASN HA H 1 4.708 0.030 . 1 . . . . . 113 ASN HA . 50972 1 1250 . 1 . 1 113 113 ASN HB2 H 1 1.583 0.030 . 1 . . . . . 113 ASN HB2 . 50972 1 1251 . 1 . 1 113 113 ASN HB3 H 1 1.583 0.030 . 1 . . . . . 113 ASN HB3 . 50972 1 1252 . 1 . 1 113 113 ASN HD21 H 1 6.695 0.030 . 2 . . . . . 113 ASN HD21 . 50972 1 1253 . 1 . 1 113 113 ASN HD22 H 1 6.276 0.030 . 2 . . . . . 113 ASN HD22 . 50972 1 1254 . 1 . 1 113 113 ASN C C 13 171.725 0.300 . 1 . . . . . 113 ASN C . 50972 1 1255 . 1 . 1 113 113 ASN CA C 13 50.355 0.300 . 1 . . . . . 113 ASN CA . 50972 1 1256 . 1 . 1 113 113 ASN CB C 13 37.241 0.300 . 1 . . . . . 113 ASN CB . 50972 1 1257 . 1 . 1 113 113 ASN N N 15 115.420 0.300 . 1 . . . . . 113 ASN N . 50972 1 1258 . 1 . 1 113 113 ASN ND2 N 15 111.374 0.300 . 1 . . . . . 113 ASN ND2 . 50972 1 1259 . 1 . 1 114 114 PRO HA H 1 4.354 0.030 . 1 . . . . . 114 PRO HA . 50972 1 1260 . 1 . 1 114 114 PRO HB2 H 1 2.350 0.030 . 2 . . . . . 114 PRO HB2 . 50972 1 1261 . 1 . 1 114 114 PRO HB3 H 1 1.951 0.030 . 2 . . . . . 114 PRO HB3 . 50972 1 1262 . 1 . 1 114 114 PRO HG2 H 1 1.978 0.030 . 2 . . . . . 114 PRO HG2 . 50972 1 1263 . 1 . 1 114 114 PRO HG3 H 1 2.050 0.030 . 2 . . . . . 114 PRO HG3 . 50972 1 1264 . 1 . 1 114 114 PRO HD2 H 1 3.303 0.030 . 2 . . . . . 114 PRO HD2 . 50972 1 1265 . 1 . 1 114 114 PRO HD3 H 1 3.821 0.030 . 2 . . . . . 114 PRO HD3 . 50972 1 1266 . 1 . 1 114 114 PRO C C 13 178.695 0.300 . 1 . . . . . 114 PRO C . 50972 1 1267 . 1 . 1 114 114 PRO CA C 13 64.374 0.300 . 1 . . . . . 114 PRO CA . 50972 1 1268 . 1 . 1 114 114 PRO CB C 13 31.691 0.300 . 1 . . . . . 114 PRO CB . 50972 1 1269 . 1 . 1 114 114 PRO CG C 13 27.389 0.300 . 1 . . . . . 114 PRO CG . 50972 1 1270 . 1 . 1 114 114 PRO CD C 13 50.209 0.300 . 1 . . . . . 114 PRO CD . 50972 1 1271 . 1 . 1 115 115 GLN H H 1 8.192 0.030 . 1 . . . . . 115 GLN H . 50972 1 1272 . 1 . 1 115 115 GLN HA H 1 4.063 0.030 . 1 . . . . . 115 GLN HA . 50972 1 1273 . 1 . 1 115 115 GLN HB2 H 1 2.080 0.030 . 2 . . . . . 115 GLN HB2 . 50972 1 1274 . 1 . 1 115 115 GLN HB3 H 1 2.168 0.030 . 2 . . . . . 115 GLN HB3 . 50972 1 1275 . 1 . 1 115 115 GLN HG2 H 1 2.312 0.030 . 2 . . . . . 115 GLN HG2 . 50972 1 1276 . 1 . 1 115 115 GLN HG3 H 1 2.443 0.030 . 2 . . . . . 115 GLN HG3 . 50972 1 1277 . 1 . 1 115 115 GLN HE21 H 1 7.624 0.030 . 2 . . . . . 115 GLN HE21 . 50972 1 1278 . 1 . 1 115 115 GLN HE22 H 1 6.867 0.030 . 2 . . . . . 115 GLN HE22 . 50972 1 1279 . 1 . 1 115 115 GLN C C 13 178.619 0.300 . 1 . . . . . 115 GLN C . 50972 1 1280 . 1 . 1 115 115 GLN CA C 13 59.606 0.300 . 1 . . . . . 115 GLN CA . 50972 1 1281 . 1 . 1 115 115 GLN CB C 13 27.939 0.300 . 1 . . . . . 115 GLN CB . 50972 1 1282 . 1 . 1 115 115 GLN CG C 13 33.888 0.300 . 1 . . . . . 115 GLN CG . 50972 1 1283 . 1 . 1 115 115 GLN N N 15 117.831 0.300 . 1 . . . . . 115 GLN N . 50972 1 1284 . 1 . 1 115 115 GLN NE2 N 15 111.856 0.300 . 1 . . . . . 115 GLN NE2 . 50972 1 1285 . 1 . 1 116 116 PHE H H 1 7.442 0.030 . 1 . . . . . 116 PHE H . 50972 1 1286 . 1 . 1 116 116 PHE HA H 1 4.168 0.030 . 1 . . . . . 116 PHE HA . 50972 1 1287 . 1 . 1 116 116 PHE HB2 H 1 2.930 0.030 . 2 . . . . . 116 PHE HB2 . 50972 1 1288 . 1 . 1 116 116 PHE HB3 H 1 2.659 0.030 . 2 . . . . . 116 PHE HB3 . 50972 1 1289 . 1 . 1 116 116 PHE HD1 H 1 7.146 0.030 . 1 . . . . . 116 PHE HD1 . 50972 1 1290 . 1 . 1 116 116 PHE HD2 H 1 7.146 0.030 . 1 . . . . . 116 PHE HD2 . 50972 1 1291 . 1 . 1 116 116 PHE HE1 H 1 6.274 0.030 . 3 . . . . . 116 PHE HE1 . 50972 1 1292 . 1 . 1 116 116 PHE HE2 H 1 6.787 0.030 . 3 . . . . . 116 PHE HE2 . 50972 1 1293 . 1 . 1 116 116 PHE C C 13 177.136 0.300 . 1 . . . . . 116 PHE C . 50972 1 1294 . 1 . 1 116 116 PHE CA C 13 60.667 0.300 . 1 . . . . . 116 PHE CA . 50972 1 1295 . 1 . 1 116 116 PHE CB C 13 39.673 0.300 . 1 . . . . . 116 PHE CB . 50972 1 1296 . 1 . 1 116 116 PHE N N 15 120.993 0.300 . 1 . . . . . 116 PHE N . 50972 1 1297 . 1 . 1 117 117 VAL H H 1 7.698 0.030 . 1 . . . . . 117 VAL H . 50972 1 1298 . 1 . 1 117 117 VAL HA H 1 3.371 0.030 . 1 . . . . . 117 VAL HA . 50972 1 1299 . 1 . 1 117 117 VAL HB H 1 2.177 0.030 . 1 . . . . . 117 VAL HB . 50972 1 1300 . 1 . 1 117 117 VAL HG11 H 1 1.325 0.030 . 2 . . . . . 117 VAL HG1 . 50972 1 1301 . 1 . 1 117 117 VAL HG12 H 1 1.325 0.030 . 2 . . . . . 117 VAL HG1 . 50972 1 1302 . 1 . 1 117 117 VAL HG13 H 1 1.325 0.030 . 2 . . . . . 117 VAL HG1 . 50972 1 1303 . 1 . 1 117 117 VAL HG21 H 1 1.139 0.030 . 2 . . . . . 117 VAL HG2 . 50972 1 1304 . 1 . 1 117 117 VAL HG22 H 1 1.139 0.030 . 2 . . . . . 117 VAL HG2 . 50972 1 1305 . 1 . 1 117 117 VAL HG23 H 1 1.139 0.030 . 2 . . . . . 117 VAL HG2 . 50972 1 1306 . 1 . 1 117 117 VAL C C 13 177.524 0.300 . 1 . . . . . 117 VAL C . 50972 1 1307 . 1 . 1 117 117 VAL CA C 13 67.974 0.300 . 1 . . . . . 117 VAL CA . 50972 1 1308 . 1 . 1 117 117 VAL CB C 13 31.691 0.300 . 1 . . . . . 117 VAL CB . 50972 1 1309 . 1 . 1 117 117 VAL CG1 C 13 23.973 0.300 . 2 . . . . . 117 VAL CG1 . 50972 1 1310 . 1 . 1 117 117 VAL CG2 C 13 22.099 0.300 . 2 . . . . . 117 VAL CG2 . 50972 1 1311 . 1 . 1 117 117 VAL N N 15 117.872 0.300 . 1 . . . . . 117 VAL N . 50972 1 1312 . 1 . 1 118 118 ASN H H 1 8.568 0.030 . 1 . . . . . 118 ASN H . 50972 1 1313 . 1 . 1 118 118 ASN HA H 1 4.426 0.030 . 1 . . . . . 118 ASN HA . 50972 1 1314 . 1 . 1 118 118 ASN HB2 H 1 2.912 0.030 . 2 . . . . . 118 ASN HB2 . 50972 1 1315 . 1 . 1 118 118 ASN HB3 H 1 2.816 0.030 . 2 . . . . . 118 ASN HB3 . 50972 1 1316 . 1 . 1 118 118 ASN HD21 H 1 7.591 0.030 . 2 . . . . . 118 ASN HD21 . 50972 1 1317 . 1 . 1 118 118 ASN HD22 H 1 6.873 0.030 . 2 . . . . . 118 ASN HD22 . 50972 1 1318 . 1 . 1 118 118 ASN C C 13 178.317 0.300 . 1 . . . . . 118 ASN C . 50972 1 1319 . 1 . 1 118 118 ASN CA C 13 56.204 0.300 . 1 . . . . . 118 ASN CA . 50972 1 1320 . 1 . 1 118 118 ASN CB C 13 38.194 0.300 . 1 . . . . . 118 ASN CB . 50972 1 1321 . 1 . 1 118 118 ASN N N 15 117.377 0.300 . 1 . . . . . 118 ASN N . 50972 1 1322 . 1 . 1 118 118 ASN ND2 N 15 111.557 0.300 . 1 . . . . . 118 ASN ND2 . 50972 1 1323 . 1 . 1 119 119 GLU H H 1 7.974 0.030 . 1 . . . . . 119 GLU H . 50972 1 1324 . 1 . 1 119 119 GLU HA H 1 4.078 0.030 . 1 . . . . . 119 GLU HA . 50972 1 1325 . 1 . 1 119 119 GLU HB2 H 1 1.973 0.030 . 2 . . . . . 119 GLU HB2 . 50972 1 1326 . 1 . 1 119 119 GLU HB3 H 1 2.134 0.030 . 2 . . . . . 119 GLU HB3 . 50972 1 1327 . 1 . 1 119 119 GLU HG2 H 1 2.137 0.030 . 2 . . . . . 119 GLU HG2 . 50972 1 1328 . 1 . 1 119 119 GLU HG3 H 1 2.273 0.030 . 2 . . . . . 119 GLU HG3 . 50972 1 1329 . 1 . 1 119 119 GLU C C 13 178.898 0.300 . 1 . . . . . 119 GLU C . 50972 1 1330 . 1 . 1 119 119 GLU CA C 13 59.764 0.300 . 1 . . . . . 119 GLU CA . 50972 1 1331 . 1 . 1 119 119 GLU CB C 13 29.177 0.300 . 1 . . . . . 119 GLU CB . 50972 1 1332 . 1 . 1 119 119 GLU CG C 13 35.994 0.300 . 1 . . . . . 119 GLU CG . 50972 1 1333 . 1 . 1 119 119 GLU N N 15 122.750 0.300 . 1 . . . . . 119 GLU N . 50972 1 1334 . 1 . 1 120 120 ILE H H 1 8.097 0.030 . 1 . . . . . 120 ILE H . 50972 1 1335 . 1 . 1 120 120 ILE HA H 1 3.725 0.030 . 1 . . . . . 120 ILE HA . 50972 1 1336 . 1 . 1 120 120 ILE HB H 1 2.039 0.030 . 1 . . . . . 120 ILE HB . 50972 1 1337 . 1 . 1 120 120 ILE HG12 H 1 1.288 0.030 . 2 . . . . . 120 ILE HG12 . 50972 1 1338 . 1 . 1 120 120 ILE HG13 H 1 0.918 0.030 . 2 . . . . . 120 ILE HG13 . 50972 1 1339 . 1 . 1 120 120 ILE HG21 H 1 0.953 0.030 . 1 . . . . . 120 ILE HG2 . 50972 1 1340 . 1 . 1 120 120 ILE HG22 H 1 0.953 0.030 . 1 . . . . . 120 ILE HG2 . 50972 1 1341 . 1 . 1 120 120 ILE HG23 H 1 0.953 0.030 . 1 . . . . . 120 ILE HG2 . 50972 1 1342 . 1 . 1 120 120 ILE HD11 H 1 0.586 0.030 . 1 . . . . . 120 ILE HD1 . 50972 1 1343 . 1 . 1 120 120 ILE HD12 H 1 0.586 0.030 . 1 . . . . . 120 ILE HD1 . 50972 1 1344 . 1 . 1 120 120 ILE HD13 H 1 0.586 0.030 . 1 . . . . . 120 ILE HD1 . 50972 1 1345 . 1 . 1 120 120 ILE C C 13 178.189 0.300 . 1 . . . . . 120 ILE C . 50972 1 1346 . 1 . 1 120 120 ILE CA C 13 62.801 0.300 . 1 . . . . . 120 ILE CA . 50972 1 1347 . 1 . 1 120 120 ILE CB C 13 34.749 0.300 . 1 . . . . . 120 ILE CB . 50972 1 1348 . 1 . 1 120 120 ILE CG1 C 13 28.474 0.300 . 1 . . . . . 120 ILE CG1 . 50972 1 1349 . 1 . 1 120 120 ILE CG2 C 13 18.396 0.300 . 1 . . . . . 120 ILE CG2 . 50972 1 1350 . 1 . 1 120 120 ILE CD1 C 13 9.185 0.300 . 1 . . . . . 120 ILE CD1 . 50972 1 1351 . 1 . 1 120 120 ILE N N 15 118.577 0.300 . 1 . . . . . 120 ILE N . 50972 1 1352 . 1 . 1 121 121 ARG H H 1 8.884 0.030 . 1 . . . . . 121 ARG H . 50972 1 1353 . 1 . 1 121 121 ARG HA H 1 3.755 0.030 . 1 . . . . . 121 ARG HA . 50972 1 1354 . 1 . 1 121 121 ARG HB2 H 1 1.981 0.030 . 2 . . . . . 121 ARG HB2 . 50972 1 1355 . 1 . 1 121 121 ARG HB3 H 1 1.911 0.030 . 2 . . . . . 121 ARG HB3 . 50972 1 1356 . 1 . 1 121 121 ARG HG2 H 1 1.698 0.030 . 2 . . . . . 121 ARG HG2 . 50972 1 1357 . 1 . 1 121 121 ARG HG3 H 1 1.543 0.030 . 2 . . . . . 121 ARG HG3 . 50972 1 1358 . 1 . 1 121 121 ARG HD2 H 1 3.258 0.030 . 2 . . . . . 121 ARG HD2 . 50972 1 1359 . 1 . 1 121 121 ARG HD3 H 1 3.195 0.030 . 2 . . . . . 121 ARG HD3 . 50972 1 1360 . 1 . 1 121 121 ARG C C 13 178.198 0.300 . 1 . . . . . 121 ARG C . 50972 1 1361 . 1 . 1 121 121 ARG CA C 13 60.850 0.300 . 1 . . . . . 121 ARG CA . 50972 1 1362 . 1 . 1 121 121 ARG CB C 13 30.592 0.300 . 1 . . . . . 121 ARG CB . 50972 1 1363 . 1 . 1 121 121 ARG CG C 13 27.950 0.300 . 1 . . . . . 121 ARG CG . 50972 1 1364 . 1 . 1 121 121 ARG CD C 13 43.772 0.300 . 1 . . . . . 121 ARG CD . 50972 1 1365 . 1 . 1 121 121 ARG N N 15 120.159 0.300 . 1 . . . . . 121 ARG N . 50972 1 1366 . 1 . 1 122 122 SER H H 1 8.050 0.030 . 1 . . . . . 122 SER H . 50972 1 1367 . 1 . 1 122 122 SER HA H 1 4.214 0.030 . 1 . . . . . 122 SER HA . 50972 1 1368 . 1 . 1 122 122 SER HB2 H 1 4.128 0.030 . 2 . . . . . 122 SER HB2 . 50972 1 1369 . 1 . 1 122 122 SER HB3 H 1 4.202 0.030 . 2 . . . . . 122 SER HB3 . 50972 1 1370 . 1 . 1 122 122 SER C C 13 178.232 0.300 . 1 . . . . . 122 SER C . 50972 1 1371 . 1 . 1 122 122 SER CA C 13 61.876 0.300 . 1 . . . . . 122 SER CA . 50972 1 1372 . 1 . 1 122 122 SER CB C 13 62.802 0.300 . 1 . . . . . 122 SER CB . 50972 1 1373 . 1 . 1 122 122 SER N N 15 113.885 0.300 . 1 . . . . . 122 SER N . 50972 1 1374 . 1 . 1 123 123 LEU H H 1 8.104 0.030 . 1 . . . . . 123 LEU H . 50972 1 1375 . 1 . 1 123 123 LEU HA H 1 4.009 0.030 . 1 . . . . . 123 LEU HA . 50972 1 1376 . 1 . 1 123 123 LEU HB2 H 1 2.009 0.030 . 2 . . . . . 123 LEU HB2 . 50972 1 1377 . 1 . 1 123 123 LEU HB3 H 1 1.252 0.030 . 2 . . . . . 123 LEU HB3 . 50972 1 1378 . 1 . 1 123 123 LEU HG H 1 1.916 0.030 . 1 . . . . . 123 LEU HG . 50972 1 1379 . 1 . 1 123 123 LEU HD11 H 1 0.839 0.030 . 2 . . . . . 123 LEU HD1 . 50972 1 1380 . 1 . 1 123 123 LEU HD12 H 1 0.839 0.030 . 2 . . . . . 123 LEU HD1 . 50972 1 1381 . 1 . 1 123 123 LEU HD13 H 1 0.839 0.030 . 2 . . . . . 123 LEU HD1 . 50972 1 1382 . 1 . 1 123 123 LEU HD21 H 1 0.861 0.030 . 2 . . . . . 123 LEU HD2 . 50972 1 1383 . 1 . 1 123 123 LEU HD22 H 1 0.861 0.030 . 2 . . . . . 123 LEU HD2 . 50972 1 1384 . 1 . 1 123 123 LEU HD23 H 1 0.861 0.030 . 2 . . . . . 123 LEU HD2 . 50972 1 1385 . 1 . 1 123 123 LEU C C 13 178.788 0.300 . 1 . . . . . 123 LEU C . 50972 1 1386 . 1 . 1 123 123 LEU CA C 13 57.943 0.300 . 1 . . . . . 123 LEU CA . 50972 1 1387 . 1 . 1 123 123 LEU CB C 13 43.197 0.300 . 1 . . . . . 123 LEU CB . 50972 1 1388 . 1 . 1 123 123 LEU CG C 13 26.736 0.300 . 1 . . . . . 123 LEU CG . 50972 1 1389 . 1 . 1 123 123 LEU CD1 C 13 23.105 0.300 . 2 . . . . . 123 LEU CD1 . 50972 1 1390 . 1 . 1 123 123 LEU CD2 C 13 26.218 0.300 . 2 . . . . . 123 LEU CD2 . 50972 1 1391 . 1 . 1 123 123 LEU N N 15 122.731 0.300 . 1 . . . . . 123 LEU N . 50972 1 1392 . 1 . 1 124 124 ILE H H 1 8.828 0.030 . 1 . . . . . 124 ILE H . 50972 1 1393 . 1 . 1 124 124 ILE HA H 1 3.654 0.030 . 1 . . . . . 124 ILE HA . 50972 1 1394 . 1 . 1 124 124 ILE HB H 1 1.985 0.030 . 1 . . . . . 124 ILE HB . 50972 1 1395 . 1 . 1 124 124 ILE HG12 H 1 1.184 0.030 . 2 . . . . . 124 ILE HG12 . 50972 1 1396 . 1 . 1 124 124 ILE HG13 H 1 2.100 0.030 . 2 . . . . . 124 ILE HG13 . 50972 1 1397 . 1 . 1 124 124 ILE HG21 H 1 0.862 0.030 . 1 . . . . . 124 ILE HG2 . 50972 1 1398 . 1 . 1 124 124 ILE HG22 H 1 0.862 0.030 . 1 . . . . . 124 ILE HG2 . 50972 1 1399 . 1 . 1 124 124 ILE HG23 H 1 0.862 0.030 . 1 . . . . . 124 ILE HG2 . 50972 1 1400 . 1 . 1 124 124 ILE HD11 H 1 0.840 0.030 . 1 . . . . . 124 ILE HD1 . 50972 1 1401 . 1 . 1 124 124 ILE HD12 H 1 0.840 0.030 . 1 . . . . . 124 ILE HD1 . 50972 1 1402 . 1 . 1 124 124 ILE HD13 H 1 0.840 0.030 . 1 . . . . . 124 ILE HD1 . 50972 1 1403 . 1 . 1 124 124 ILE C C 13 177.649 0.300 . 1 . . . . . 124 ILE C . 50972 1 1404 . 1 . 1 124 124 ILE CA C 13 66.849 0.300 . 1 . . . . . 124 ILE CA . 50972 1 1405 . 1 . 1 124 124 ILE CB C 13 37.525 0.300 . 1 . . . . . 124 ILE CB . 50972 1 1406 . 1 . 1 124 124 ILE CG1 C 13 29.690 0.300 . 1 . . . . . 124 ILE CG1 . 50972 1 1407 . 1 . 1 124 124 ILE CG2 C 13 17.032 0.300 . 1 . . . . . 124 ILE CG2 . 50972 1 1408 . 1 . 1 124 124 ILE CD1 C 13 15.063 0.300 . 1 . . . . . 124 ILE CD1 . 50972 1 1409 . 1 . 1 124 124 ILE N N 15 119.734 0.300 . 1 . . . . . 124 ILE N . 50972 1 1410 . 1 . 1 125 125 ASN H H 1 8.040 0.030 . 1 . . . . . 125 ASN H . 50972 1 1411 . 1 . 1 125 125 ASN HA H 1 4.423 0.030 . 1 . . . . . 125 ASN HA . 50972 1 1412 . 1 . 1 125 125 ASN HB2 H 1 2.905 0.030 . 2 . . . . . 125 ASN HB2 . 50972 1 1413 . 1 . 1 125 125 ASN HB3 H 1 2.806 0.030 . 2 . . . . . 125 ASN HB3 . 50972 1 1414 . 1 . 1 125 125 ASN HD21 H 1 7.562 0.030 . 2 . . . . . 125 ASN HD21 . 50972 1 1415 . 1 . 1 125 125 ASN HD22 H 1 6.851 0.030 . 2 . . . . . 125 ASN HD22 . 50972 1 1416 . 1 . 1 125 125 ASN C C 13 177.484 0.300 . 1 . . . . . 125 ASN C . 50972 1 1417 . 1 . 1 125 125 ASN CA C 13 57.455 0.300 . 1 . . . . . 125 ASN CA . 50972 1 1418 . 1 . 1 125 125 ASN CB C 13 38.444 0.300 . 1 . . . . . 125 ASN CB . 50972 1 1419 . 1 . 1 125 125 ASN N N 15 116.429 0.300 . 1 . . . . . 125 ASN N . 50972 1 1420 . 1 . 1 126 126 MET H H 1 7.817 0.030 . 1 . . . . . 126 MET H . 50972 1 1421 . 1 . 1 126 126 MET HA H 1 4.056 0.030 . 1 . . . . . 126 MET HA . 50972 1 1422 . 1 . 1 126 126 MET HB2 H 1 2.026 0.030 . 1 . . . . . 126 MET HB2 . 50972 1 1423 . 1 . 1 126 126 MET HB3 H 1 2.026 0.030 . 1 . . . . . 126 MET HB3 . 50972 1 1424 . 1 . 1 126 126 MET HG2 H 1 2.518 0.030 . 2 . . . . . 126 MET HG2 . 50972 1 1425 . 1 . 1 126 126 MET HG3 H 1 2.214 0.030 . 2 . . . . . 126 MET HG3 . 50972 1 1426 . 1 . 1 126 126 MET HE1 H 1 2.050 0.030 . 1 . . . . . 126 MET HE . 50972 1 1427 . 1 . 1 126 126 MET HE2 H 1 2.050 0.030 . 1 . . . . . 126 MET HE . 50972 1 1428 . 1 . 1 126 126 MET HE3 H 1 2.050 0.030 . 1 . . . . . 126 MET HE . 50972 1 1429 . 1 . 1 126 126 MET C C 13 179.017 0.300 . 1 . . . . . 126 MET C . 50972 1 1430 . 1 . 1 126 126 MET CA C 13 58.854 0.300 . 1 . . . . . 126 MET CA . 50972 1 1431 . 1 . 1 126 126 MET CB C 13 32.441 0.300 . 1 . . . . . 126 MET CB . 50972 1 1432 . 1 . 1 126 126 MET CG C 13 31.676 0.300 . 1 . . . . . 126 MET CG . 50972 1 1433 . 1 . 1 126 126 MET CE C 13 17.433 0.300 . 1 . . . . . 126 MET CE . 50972 1 1434 . 1 . 1 126 126 MET N N 15 119.525 0.300 . 1 . . . . . 126 MET N . 50972 1 1435 . 1 . 1 127 127 PHE H H 1 8.334 0.030 . 1 . . . . . 127 PHE H . 50972 1 1436 . 1 . 1 127 127 PHE HA H 1 4.434 0.030 . 1 . . . . . 127 PHE HA . 50972 1 1437 . 1 . 1 127 127 PHE HB2 H 1 3.253 0.030 . 2 . . . . . 127 PHE HB2 . 50972 1 1438 . 1 . 1 127 127 PHE HB3 H 1 2.877 0.030 . 2 . . . . . 127 PHE HB3 . 50972 1 1439 . 1 . 1 127 127 PHE HD1 H 1 7.195 0.030 . 1 . . . . . 127 PHE HD1 . 50972 1 1440 . 1 . 1 127 127 PHE HD2 H 1 7.195 0.030 . 1 . . . . . 127 PHE HD2 . 50972 1 1441 . 1 . 1 127 127 PHE C C 13 178.137 0.300 . 1 . . . . . 127 PHE C . 50972 1 1442 . 1 . 1 127 127 PHE CA C 13 60.616 0.300 . 1 . . . . . 127 PHE CA . 50972 1 1443 . 1 . 1 127 127 PHE CB C 13 39.169 0.300 . 1 . . . . . 127 PHE CB . 50972 1 1444 . 1 . 1 127 127 PHE N N 15 118.614 0.300 . 1 . . . . . 127 PHE N . 50972 1 1445 . 1 . 1 128 128 ALA H H 1 8.652 0.030 . 1 . . . . . 128 ALA H . 50972 1 1446 . 1 . 1 128 128 ALA HA H 1 4.284 0.030 . 1 . . . . . 128 ALA HA . 50972 1 1447 . 1 . 1 128 128 ALA HB1 H 1 1.517 0.030 . 1 . . . . . 128 ALA HB . 50972 1 1448 . 1 . 1 128 128 ALA HB2 H 1 1.517 0.030 . 1 . . . . . 128 ALA HB . 50972 1 1449 . 1 . 1 128 128 ALA HB3 H 1 1.517 0.030 . 1 . . . . . 128 ALA HB . 50972 1 1450 . 1 . 1 128 128 ALA C C 13 178.729 0.300 . 1 . . . . . 128 ALA C . 50972 1 1451 . 1 . 1 128 128 ALA CA C 13 54.015 0.300 . 1 . . . . . 128 ALA CA . 50972 1 1452 . 1 . 1 128 128 ALA CB C 13 18.905 0.300 . 1 . . . . . 128 ALA CB . 50972 1 1453 . 1 . 1 128 128 ALA N N 15 121.841 0.300 . 1 . . . . . 128 ALA N . 50972 1 1454 . 1 . 1 129 129 GLN H H 1 7.852 0.030 . 1 . . . . . 129 GLN H . 50972 1 1455 . 1 . 1 129 129 GLN HA H 1 4.321 0.030 . 1 . . . . . 129 GLN HA . 50972 1 1456 . 1 . 1 129 129 GLN HB2 H 1 2.106 0.030 . 2 . . . . . 129 GLN HB2 . 50972 1 1457 . 1 . 1 129 129 GLN HB3 H 1 2.214 0.030 . 2 . . . . . 129 GLN HB3 . 50972 1 1458 . 1 . 1 129 129 GLN HG2 H 1 2.481 0.030 . 1 . . . . . 129 GLN HG2 . 50972 1 1459 . 1 . 1 129 129 GLN HG3 H 1 2.481 0.030 . 1 . . . . . 129 GLN HG3 . 50972 1 1460 . 1 . 1 129 129 GLN HE21 H 1 7.494 0.030 . 2 . . . . . 129 GLN HE21 . 50972 1 1461 . 1 . 1 129 129 GLN HE22 H 1 6.840 0.030 . 2 . . . . . 129 GLN HE22 . 50972 1 1462 . 1 . 1 129 129 GLN C C 13 176.854 0.300 . 1 . . . . . 129 GLN C . 50972 1 1463 . 1 . 1 129 129 GLN CA C 13 56.651 0.300 . 1 . . . . . 129 GLN CA . 50972 1 1464 . 1 . 1 129 129 GLN CB C 13 28.939 0.300 . 1 . . . . . 129 GLN CB . 50972 1 1465 . 1 . 1 129 129 GLN CG C 13 34.043 0.300 . 1 . . . . . 129 GLN CG . 50972 1 1466 . 1 . 1 129 129 GLN N N 15 116.554 0.300 . 1 . . . . . 129 GLN N . 50972 1 1467 . 1 . 1 129 129 GLN NE2 N 15 112.099 0.300 . 1 . . . . . 129 GLN NE2 . 50972 1 1468 . 1 . 1 130 130 SER H H 1 8.066 0.030 . 1 . . . . . 130 SER H . 50972 1 1469 . 1 . 1 130 130 SER HA H 1 4.479 0.030 . 1 . . . . . 130 SER HA . 50972 1 1470 . 1 . 1 130 130 SER HB2 H 1 3.965 0.030 . 1 . . . . . 130 SER HB2 . 50972 1 1471 . 1 . 1 130 130 SER HB3 H 1 3.965 0.030 . 1 . . . . . 130 SER HB3 . 50972 1 1472 . 1 . 1 130 130 SER C C 13 175.195 0.300 . 1 . . . . . 130 SER C . 50972 1 1473 . 1 . 1 130 130 SER CA C 13 58.937 0.300 . 1 . . . . . 130 SER CA . 50972 1 1474 . 1 . 1 130 130 SER CB C 13 63.708 0.300 . 1 . . . . . 130 SER CB . 50972 1 1475 . 1 . 1 130 130 SER N N 15 115.550 0.300 . 1 . . . . . 130 SER N . 50972 1 1476 . 1 . 1 131 131 SER H H 1 8.236 0.030 . 1 . . . . . 131 SER H . 50972 1 1477 . 1 . 1 131 131 SER HA H 1 4.479 0.030 . 1 . . . . . 131 SER HA . 50972 1 1478 . 1 . 1 131 131 SER HB2 H 1 3.941 0.030 . 1 . . . . . 131 SER HB2 . 50972 1 1479 . 1 . 1 131 131 SER HB3 H 1 3.941 0.030 . 1 . . . . . 131 SER HB3 . 50972 1 1480 . 1 . 1 131 131 SER C C 13 174.603 0.300 . 1 . . . . . 131 SER C . 50972 1 1481 . 1 . 1 131 131 SER CA C 13 58.854 0.300 . 1 . . . . . 131 SER CA . 50972 1 1482 . 1 . 1 131 131 SER CB C 13 63.708 0.300 . 1 . . . . . 131 SER CB . 50972 1 1483 . 1 . 1 132 132 ALA H H 1 8.175 0.030 . 1 . . . . . 132 ALA H . 50972 1 1484 . 1 . 1 132 132 ALA HA H 1 4.333 0.030 . 1 . . . . . 132 ALA HA . 50972 1 1485 . 1 . 1 132 132 ALA HB1 H 1 1.403 0.030 . 1 . . . . . 132 ALA HB . 50972 1 1486 . 1 . 1 132 132 ALA HB2 H 1 1.403 0.030 . 1 . . . . . 132 ALA HB . 50972 1 1487 . 1 . 1 132 132 ALA HB3 H 1 1.403 0.030 . 1 . . . . . 132 ALA HB . 50972 1 1488 . 1 . 1 132 132 ALA C C 13 177.576 0.300 . 1 . . . . . 132 ALA C . 50972 1 1489 . 1 . 1 132 132 ALA CA C 13 52.980 0.300 . 1 . . . . . 132 ALA CA . 50972 1 1490 . 1 . 1 132 132 ALA CB C 13 19.250 0.300 . 1 . . . . . 132 ALA CB . 50972 1 1491 . 1 . 1 132 132 ALA N N 15 125.083 0.300 . 1 . . . . . 132 ALA N . 50972 1 1492 . 1 . 1 133 133 ASN H H 1 8.243 0.030 . 1 . . . . . 133 ASN H . 50972 1 1493 . 1 . 1 133 133 ASN HA H 1 4.483 0.030 . 1 . . . . . 133 ASN HA . 50972 1 1494 . 1 . 1 133 133 ASN HB2 H 1 2.833 0.030 . 2 . . . . . 133 ASN HB2 . 50972 1 1495 . 1 . 1 133 133 ASN HB3 H 1 2.742 0.030 . 2 . . . . . 133 ASN HB3 . 50972 1 1496 . 1 . 1 133 133 ASN HD21 H 1 7.590 0.030 . 2 . . . . . 133 ASN HD21 . 50972 1 1497 . 1 . 1 133 133 ASN HD22 H 1 6.922 0.030 . 2 . . . . . 133 ASN HD22 . 50972 1 1498 . 1 . 1 133 133 ASN C C 13 175.103 0.300 . 1 . . . . . 133 ASN C . 50972 1 1499 . 1 . 1 133 133 ASN CA C 13 53.450 0.300 . 1 . . . . . 133 ASN CA . 50972 1 1500 . 1 . 1 133 133 ASN CB C 13 39.140 0.300 . 1 . . . . . 133 ASN CB . 50972 1 1501 . 1 . 1 133 133 ASN N N 15 117.292 0.300 . 1 . . . . . 133 ASN N . 50972 1 1502 . 1 . 1 133 133 ASN ND2 N 15 112.999 0.300 . 1 . . . . . 133 ASN ND2 . 50972 1 1503 . 1 . 1 134 134 GLU H H 1 8.226 0.030 . 1 . . . . . 134 GLU H . 50972 1 1504 . 1 . 1 134 134 GLU HA H 1 4.310 0.030 . 1 . . . . . 134 GLU HA . 50972 1 1505 . 1 . 1 134 134 GLU HB2 H 1 1.937 0.030 . 2 . . . . . 134 GLU HB2 . 50972 1 1506 . 1 . 1 134 134 GLU HB3 H 1 2.040 0.030 . 2 . . . . . 134 GLU HB3 . 50972 1 1507 . 1 . 1 134 134 GLU HG2 H 1 2.256 0.030 . 1 . . . . . 134 GLU HG2 . 50972 1 1508 . 1 . 1 134 134 GLU HG3 H 1 2.256 0.030 . 1 . . . . . 134 GLU HG3 . 50972 1 1509 . 1 . 1 134 134 GLU C C 13 176.262 0.300 . 1 . . . . . 134 GLU C . 50972 1 1510 . 1 . 1 134 134 GLU CA C 13 56.511 0.300 . 1 . . . . . 134 GLU CA . 50972 1 1511 . 1 . 1 134 134 GLU CB C 13 30.431 0.300 . 1 . . . . . 134 GLU CB . 50972 1 1512 . 1 . 1 134 134 GLU CG C 13 36.693 0.300 . 1 . . . . . 134 GLU CG . 50972 1 1513 . 1 . 1 134 134 GLU N N 15 121.075 0.300 . 1 . . . . . 134 GLU N . 50972 1 1514 . 1 . 1 135 135 VAL H H 1 8.113 0.030 . 1 . . . . . 135 VAL H . 50972 1 1515 . 1 . 1 135 135 VAL HA H 1 4.113 0.030 . 1 . . . . . 135 VAL HA . 50972 1 1516 . 1 . 1 135 135 VAL HB H 1 1.984 0.030 . 1 . . . . . 135 VAL HB . 50972 1 1517 . 1 . 1 135 135 VAL HG11 H 1 0.864 0.030 . 2 . . . . . 135 VAL HG1 . 50972 1 1518 . 1 . 1 135 135 VAL HG12 H 1 0.864 0.030 . 2 . . . . . 135 VAL HG1 . 50972 1 1519 . 1 . 1 135 135 VAL HG13 H 1 0.864 0.030 . 2 . . . . . 135 VAL HG1 . 50972 1 1520 . 1 . 1 135 135 VAL HG21 H 1 0.796 0.030 . 2 . . . . . 135 VAL HG2 . 50972 1 1521 . 1 . 1 135 135 VAL HG22 H 1 0.796 0.030 . 2 . . . . . 135 VAL HG2 . 50972 1 1522 . 1 . 1 135 135 VAL HG23 H 1 0.796 0.030 . 2 . . . . . 135 VAL HG2 . 50972 1 1523 . 1 . 1 135 135 VAL C C 13 175.763 0.300 . 1 . . . . . 135 VAL C . 50972 1 1524 . 1 . 1 135 135 VAL CA C 13 62.043 0.300 . 1 . . . . . 135 VAL CA . 50972 1 1525 . 1 . 1 135 135 VAL CB C 13 32.968 0.300 . 1 . . . . . 135 VAL CB . 50972 1 1526 . 1 . 1 135 135 VAL CG1 C 13 20.435 0.300 . 2 . . . . . 135 VAL CG1 . 50972 1 1527 . 1 . 1 135 135 VAL CG2 C 13 21.185 0.300 . 2 . . . . . 135 VAL CG2 . 50972 1 1528 . 1 . 1 135 135 VAL N N 15 121.082 0.300 . 1 . . . . . 135 VAL N . 50972 1 1529 . 1 . 1 136 136 SER H H 1 8.217 0.030 . 1 . . . . . 136 SER H . 50972 1 1530 . 1 . 1 136 136 SER HA H 1 4.462 0.030 . 1 . . . . . 136 SER HA . 50972 1 1531 . 1 . 1 136 136 SER HB2 H 1 3.785 0.030 . 1 . . . . . 136 SER HB2 . 50972 1 1532 . 1 . 1 136 136 SER HB3 H 1 3.785 0.030 . 1 . . . . . 136 SER HB3 . 50972 1 1533 . 1 . 1 136 136 SER C C 13 173.024 0.300 . 1 . . . . . 136 SER C . 50972 1 1534 . 1 . 1 136 136 SER CA C 13 57.868 0.300 . 1 . . . . . 136 SER CA . 50972 1 1535 . 1 . 1 136 136 SER CB C 13 64.159 0.300 . 1 . . . . . 136 SER CB . 50972 1 1536 . 1 . 1 136 136 SER N N 15 119.893 0.300 . 1 . . . . . 136 SER N . 50972 1 1537 . 1 . 1 137 137 TYR H H 1 7.746 0.030 . 1 . . . . . 137 TYR H . 50972 1 1538 . 1 . 1 137 137 TYR HA H 1 4.398 0.030 . 1 . . . . . 137 TYR HA . 50972 1 1539 . 1 . 1 137 137 TYR HB2 H 1 3.055 0.030 . 2 . . . . . 137 TYR HB2 . 50972 1 1540 . 1 . 1 137 137 TYR HB3 H 1 2.869 0.030 . 2 . . . . . 137 TYR HB3 . 50972 1 1541 . 1 . 1 137 137 TYR HD1 H 1 7.087 0.030 . 1 . . . . . 137 TYR HD1 . 50972 1 1542 . 1 . 1 137 137 TYR HD2 H 1 7.087 0.030 . 1 . . . . . 137 TYR HD2 . 50972 1 1543 . 1 . 1 137 137 TYR HE1 H 1 6.797 0.030 . 1 . . . . . 137 TYR HE1 . 50972 1 1544 . 1 . 1 137 137 TYR HE2 H 1 6.797 0.030 . 1 . . . . . 137 TYR HE2 . 50972 1 1545 . 1 . 1 137 137 TYR C C 13 180.504 0.300 . 1 . . . . . 137 TYR C . 50972 1 1546 . 1 . 1 137 137 TYR CA C 13 59.243 0.300 . 1 . . . . . 137 TYR CA . 50972 1 1547 . 1 . 1 137 137 TYR CB C 13 39.586 0.300 . 1 . . . . . 137 TYR CB . 50972 1 1548 . 1 . 1 137 137 TYR CD1 C 13 133.422 0.300 . 1 . . . . . 137 TYR CD1 . 50972 1 1549 . 1 . 1 137 137 TYR CD2 C 13 133.422 0.300 . 1 . . . . . 137 TYR CD2 . 50972 1 1550 . 1 . 1 137 137 TYR CE1 C 13 118.187 0.300 . 1 . . . . . 137 TYR CE1 . 50972 1 1551 . 1 . 1 137 137 TYR CE2 C 13 118.187 0.300 . 1 . . . . . 137 TYR CE2 . 50972 1 1552 . 1 . 1 137 137 TYR N N 15 127.229 0.300 . 1 . . . . . 137 TYR N . 50972 1 stop_ save_