data_18197 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18197 _Entry.Title ; rat Angiogenin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-16 _Entry.Accession_date 2012-01-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chung-Kyung Lee . . . 18197 2 Hae-Kap Cheong . . . 18197 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18197 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 18197 '15N chemical shifts' 123 18197 '1H chemical shifts' 767 18197 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 . . 2013-03-25 2012-01-16 update BMRB 'update entry citation' 18197 1 . . 2012-05-11 2012-01-16 original author 'original release' 18197 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18197 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22477091 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, (15)N backbone and side-chain resonance assignments of rat angiogenin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 89 _Citation.Page_last 92 _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Chung-Kyung Lee . . . 18197 1 2 'Kwon Joo' Yeo . . . 18197 1 3 Eunha Hwang . . . 18197 1 4 Hae-Kap Cheong . . . 18197 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID angiogenin 18197 1 NMR 18197 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18197 _Assembly.ID 1 _Assembly.Name 'angiogenin monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 angiogenin 1 $angiogenin A . yes native no no . . . 18197 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_angiogenin _Entity.Sf_category entity _Entity.Sf_framecode angiogenin _Entity.Entry_ID 18197 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name angiogenin _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 ; GSHMAQDDPRYTKFLTQHYD AKPKGRDARYCESMMRRRGL TSPCKEVNTFIHGNKGSIKA ICGANGSPYGENLRISQSPF QITTCKHTGGSPRPPCRYRA SAGFRHVVIACENGLPVHFD ESFISL ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4QFI . "The Crystal Structure Of Rat Angiogenin-heparin Complex" . . . . . 100.00 126 100.00 100.00 2.42e-88 . . . . 18197 1 2 no PDB 4QFJ . "The Crystal Structure Of Rat Angiogenin-heparin Complex" . . . . . 100.00 126 100.00 100.00 2.42e-88 . . . . 18197 1 3 no GB AAR28758 . "angiogenin precursor [Rattus norvegicus]" . . . . . 99.21 145 98.40 99.20 3.38e-86 . . . . 18197 1 4 no GB AAV87193 . "angiogenin ribonuclease 1 [Rattus norvegicus]" . . . . . 99.21 145 98.40 99.20 3.45e-86 . . . . 18197 1 5 no GB EDL88436 . "ribonuclease, RNase A family 4, isoform CRA_a [Rattus norvegicus]" . . . . . 99.21 145 98.40 99.20 3.45e-86 . . . . 18197 1 6 no GB EDL88438 . "ribonuclease, RNase A family 4, isoform CRA_c [Rattus norvegicus]" . . . . . 99.21 199 98.40 99.20 6.24e-86 . . . . 18197 1 7 no REF NP_001006993 . "angiogenin precursor [Rattus norvegicus]" . . . . . 99.21 145 98.40 99.20 3.38e-86 . . . . 18197 1 8 no REF XP_006251936 . "PREDICTED: angiogenin isoform X1 [Rattus norvegicus]" . . . . . 99.21 199 98.40 99.20 6.24e-86 . . . . 18197 1 9 no TPE CDG32031 . "TPA: ribonuclease A a1 [Rattus norvegicus]" . . . . . 99.21 145 98.40 99.20 3.45e-86 . . . . 18197 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 . 18197 1 2 . SER . 18197 1 3 . HIS . 18197 1 4 . MET . 18197 1 5 . ALA . 18197 1 6 . GLN . 18197 1 7 . ASP . 18197 1 8 . ASP . 18197 1 9 . PRO . 18197 1 10 . ARG . 18197 1 11 . TYR . 18197 1 12 . THR . 18197 1 13 . LYS . 18197 1 14 . PHE . 18197 1 15 . LEU . 18197 1 16 . THR . 18197 1 17 . GLN . 18197 1 18 . HIS . 18197 1 19 . TYR . 18197 1 20 . ASP . 18197 1 21 . ALA . 18197 1 22 . LYS . 18197 1 23 . PRO . 18197 1 24 . LYS . 18197 1 25 . GLY . 18197 1 26 . ARG . 18197 1 27 . ASP . 18197 1 28 . ALA . 18197 1 29 . ARG . 18197 1 30 . TYR . 18197 1 31 . CYS . 18197 1 32 . GLU . 18197 1 33 . SER . 18197 1 34 . MET . 18197 1 35 . MET . 18197 1 36 . ARG . 18197 1 37 . ARG . 18197 1 38 . ARG . 18197 1 39 . GLY . 18197 1 40 . LEU . 18197 1 41 . THR . 18197 1 42 . SER . 18197 1 43 . PRO . 18197 1 44 . CYS . 18197 1 45 . LYS . 18197 1 46 . GLU . 18197 1 47 . VAL . 18197 1 48 . ASN . 18197 1 49 . THR . 18197 1 50 . PHE . 18197 1 51 . ILE . 18197 1 52 . HIS . 18197 1 53 . GLY . 18197 1 54 . ASN . 18197 1 55 . LYS . 18197 1 56 . GLY . 18197 1 57 . SER . 18197 1 58 . ILE . 18197 1 59 . LYS . 18197 1 60 . ALA . 18197 1 61 . ILE . 18197 1 62 . CYS . 18197 1 63 . GLY . 18197 1 64 . ALA . 18197 1 65 . ASN . 18197 1 66 . GLY . 18197 1 67 . SER . 18197 1 68 . PRO . 18197 1 69 . TYR . 18197 1 70 . GLY . 18197 1 71 . GLU . 18197 1 72 . ASN . 18197 1 73 . LEU . 18197 1 74 . ARG . 18197 1 75 . ILE . 18197 1 76 . SER . 18197 1 77 . GLN . 18197 1 78 . SER . 18197 1 79 . PRO . 18197 1 80 . PHE . 18197 1 81 . GLN . 18197 1 82 . ILE . 18197 1 83 . THR . 18197 1 84 . THR . 18197 1 85 . CYS . 18197 1 86 . LYS . 18197 1 87 . HIS . 18197 1 88 . THR . 18197 1 89 . GLY . 18197 1 90 . GLY . 18197 1 91 . SER . 18197 1 92 . PRO . 18197 1 93 . ARG . 18197 1 94 . PRO . 18197 1 95 . PRO . 18197 1 96 . CYS . 18197 1 97 . ARG . 18197 1 98 . TYR . 18197 1 99 . ARG . 18197 1 100 . ALA . 18197 1 101 . SER . 18197 1 102 . ALA . 18197 1 103 . GLY . 18197 1 104 . PHE . 18197 1 105 . ARG . 18197 1 106 . HIS . 18197 1 107 . VAL . 18197 1 108 . VAL . 18197 1 109 . ILE . 18197 1 110 . ALA . 18197 1 111 . CYS . 18197 1 112 . GLU . 18197 1 113 . ASN . 18197 1 114 . GLY . 18197 1 115 . LEU . 18197 1 116 . PRO . 18197 1 117 . VAL . 18197 1 118 . HIS . 18197 1 119 . PHE . 18197 1 120 . ASP . 18197 1 121 . GLU . 18197 1 122 . SER . 18197 1 123 . PHE . 18197 1 124 . ILE . 18197 1 125 . SER . 18197 1 126 . LEU . 18197 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 18197 1 . SER 2 2 18197 1 . HIS 3 3 18197 1 . MET 4 4 18197 1 . ALA 5 5 18197 1 . GLN 6 6 18197 1 . ASP 7 7 18197 1 . ASP 8 8 18197 1 . PRO 9 9 18197 1 . ARG 10 10 18197 1 . TYR 11 11 18197 1 . THR 12 12 18197 1 . LYS 13 13 18197 1 . PHE 14 14 18197 1 . LEU 15 15 18197 1 . THR 16 16 18197 1 . GLN 17 17 18197 1 . HIS 18 18 18197 1 . TYR 19 19 18197 1 . ASP 20 20 18197 1 . ALA 21 21 18197 1 . LYS 22 22 18197 1 . PRO 23 23 18197 1 . LYS 24 24 18197 1 . GLY 25 25 18197 1 . ARG 26 26 18197 1 . ASP 27 27 18197 1 . ALA 28 28 18197 1 . ARG 29 29 18197 1 . TYR 30 30 18197 1 . CYS 31 31 18197 1 . GLU 32 32 18197 1 . SER 33 33 18197 1 . MET 34 34 18197 1 . MET 35 35 18197 1 . ARG 36 36 18197 1 . ARG 37 37 18197 1 . ARG 38 38 18197 1 . GLY 39 39 18197 1 . LEU 40 40 18197 1 . THR 41 41 18197 1 . SER 42 42 18197 1 . PRO 43 43 18197 1 . CYS 44 44 18197 1 . LYS 45 45 18197 1 . GLU 46 46 18197 1 . VAL 47 47 18197 1 . ASN 48 48 18197 1 . THR 49 49 18197 1 . PHE 50 50 18197 1 . ILE 51 51 18197 1 . HIS 52 52 18197 1 . GLY 53 53 18197 1 . ASN 54 54 18197 1 . LYS 55 55 18197 1 . GLY 56 56 18197 1 . SER 57 57 18197 1 . ILE 58 58 18197 1 . LYS 59 59 18197 1 . ALA 60 60 18197 1 . ILE 61 61 18197 1 . CYS 62 62 18197 1 . GLY 63 63 18197 1 . ALA 64 64 18197 1 . ASN 65 65 18197 1 . GLY 66 66 18197 1 . SER 67 67 18197 1 . PRO 68 68 18197 1 . TYR 69 69 18197 1 . GLY 70 70 18197 1 . GLU 71 71 18197 1 . ASN 72 72 18197 1 . LEU 73 73 18197 1 . ARG 74 74 18197 1 . ILE 75 75 18197 1 . SER 76 76 18197 1 . GLN 77 77 18197 1 . SER 78 78 18197 1 . PRO 79 79 18197 1 . PHE 80 80 18197 1 . GLN 81 81 18197 1 . ILE 82 82 18197 1 . THR 83 83 18197 1 . THR 84 84 18197 1 . CYS 85 85 18197 1 . LYS 86 86 18197 1 . HIS 87 87 18197 1 . THR 88 88 18197 1 . GLY 89 89 18197 1 . GLY 90 90 18197 1 . SER 91 91 18197 1 . PRO 92 92 18197 1 . ARG 93 93 18197 1 . PRO 94 94 18197 1 . PRO 95 95 18197 1 . CYS 96 96 18197 1 . ARG 97 97 18197 1 . TYR 98 98 18197 1 . ARG 99 99 18197 1 . ALA 100 100 18197 1 . SER 101 101 18197 1 . ALA 102 102 18197 1 . GLY 103 103 18197 1 . PHE 104 104 18197 1 . ARG 105 105 18197 1 . HIS 106 106 18197 1 . VAL 107 107 18197 1 . VAL 108 108 18197 1 . ILE 109 109 18197 1 . ALA 110 110 18197 1 . CYS 111 111 18197 1 . GLU 112 112 18197 1 . ASN 113 113 18197 1 . GLY 114 114 18197 1 . LEU 115 115 18197 1 . PRO 116 116 18197 1 . VAL 117 117 18197 1 . HIS 118 118 18197 1 . PHE 119 119 18197 1 . ASP 120 120 18197 1 . GLU 121 121 18197 1 . SER 122 122 18197 1 . PHE 123 123 18197 1 . ILE 124 124 18197 1 . SER 125 125 18197 1 . LEU 126 126 18197 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18197 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $angiogenin . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 18197 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18197 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $angiogenin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 28a' . . . . . . 18197 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18197 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 angiogenin '[U-100% 13C; U-100% 15N]' . . 1 $angiogenin . . 1.0 . . mM . . . . 18197 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 18197 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18197 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18197 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18197 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 18197 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18197 1 pH 6.0 . pH 18197 1 pressure 1 . atm 18197 1 temperature 293 . K 18197 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18197 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18197 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18197 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18197 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18197 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18197 2 processing 18197 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18197 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18197 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 18197 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18197 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18197 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18197 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18197 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18197 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18197 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18197 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18197 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18197 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18197 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18197 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18197 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18197 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18197 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18197 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18197 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18197 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.446 0.001 . 1 . . . . 2 S HA . 18197 1 2 . 1 1 2 2 SER HB2 H 1 3.8 0.002 . 2 . . . . 2 S QB . 18197 1 3 . 1 1 2 2 SER HB3 H 1 3.8 0.001 . 2 . . . . 2 S QB . 18197 1 4 . 1 1 2 2 SER C C 13 174.216 0.008 . 1 . . . . 2 S C . 18197 1 5 . 1 1 2 2 SER CA C 13 58.393 0.004 . 1 . . . . 2 S CA . 18197 1 6 . 1 1 2 2 SER CB C 13 64.087 0.008 . 1 . . . . 2 S CB . 18197 1 7 . 1 1 3 3 HIS H H 1 8.599 0.022 . 1 . . . . 3 H H . 18197 1 8 . 1 1 3 3 HIS HA H 1 4.667 0.002 . 1 . . . . 3 H HA . 18197 1 9 . 1 1 3 3 HIS HB2 H 1 3.172 0.001 . 2 . . . . 3 H HB2 . 18197 1 10 . 1 1 3 3 HIS HB3 H 1 3.098 0.003 . 2 . . . . 3 H HB3 . 18197 1 11 . 1 1 3 3 HIS C C 13 174.628 0.004 . 1 . . . . 3 H C . 18197 1 12 . 1 1 3 3 HIS CA C 13 55.94 0.001 . 1 . . . . 3 H CA . 18197 1 13 . 1 1 3 3 HIS CB C 13 29.525 0.095 . 1 . . . . 3 H CB . 18197 1 14 . 1 1 3 3 HIS N N 15 121.104 0.073 . 1 . . . . 3 H N . 18197 1 15 . 1 1 4 4 MET H H 1 8.392 0.024 . 1 . . . . 4 M H . 18197 1 16 . 1 1 4 4 MET HA H 1 4.41 0.002 . 1 . . . . 4 M HA . 18197 1 17 . 1 1 4 4 MET HB2 H 1 2.009 0.014 . 2 . . . . 4 M HB2 . 18197 1 18 . 1 1 4 4 MET HB3 H 1 1.933 0.008 . 2 . . . . 4 M HB3 . 18197 1 19 . 1 1 4 4 MET HG2 H 1 2.514 0.001 . 2 . . . . 4 M HG2 . 18197 1 20 . 1 1 4 4 MET HG3 H 1 2.461 0.001 . 2 . . . . 4 M HG3 . 18197 1 21 . 1 1 4 4 MET HE1 H 1 1.576 0.001 . 1 . . . . 4 M ME . 18197 1 22 . 1 1 4 4 MET HE2 H 1 1.576 0.001 . 1 . . . . 4 M ME . 18197 1 23 . 1 1 4 4 MET HE3 H 1 1.576 0.001 . 1 . . . . 4 M ME . 18197 1 24 . 1 1 4 4 MET C C 13 175.792 0.021 . 1 . . . . 4 M C . 18197 1 25 . 1 1 4 4 MET CA C 13 55.498 0.037 . 1 . . . . 4 M CA . 18197 1 26 . 1 1 4 4 MET CB C 13 32.94 0.133 . 1 . . . . 4 M CB . 18197 1 27 . 1 1 4 4 MET CG C 13 32.049 0.009 . 1 . . . . 4 M CG . 18197 1 28 . 1 1 4 4 MET CE C 13 20.971 0.001 . 1 . . . . 4 M CE . 18197 1 29 . 1 1 4 4 MET N N 15 122.305 0.102 . 1 . . . . 4 M N . 18197 1 30 . 1 1 5 5 ALA H H 1 8.434 0.024 . 1 . . . . 5 A H . 18197 1 31 . 1 1 5 5 ALA HA H 1 4.26 0.003 . 1 . . . . 5 A HA . 18197 1 32 . 1 1 5 5 ALA HB1 H 1 1.383 0.001 . 1 . . . . 5 A QB . 18197 1 33 . 1 1 5 5 ALA HB2 H 1 1.383 0.001 . 1 . . . . 5 A QB . 18197 1 34 . 1 1 5 5 ALA HB3 H 1 1.383 0.001 . 1 . . . . 5 A QB . 18197 1 35 . 1 1 5 5 ALA C C 13 177.548 0.008 . 1 . . . . 5 A C . 18197 1 36 . 1 1 5 5 ALA CA C 13 52.918 0.037 . 1 . . . . 5 A CA . 18197 1 37 . 1 1 5 5 ALA CB C 13 19.082 0.063 . 1 . . . . 5 A CB . 18197 1 38 . 1 1 5 5 ALA N N 15 126.131 0.043 . 1 . . . . 5 A N . 18197 1 39 . 1 1 6 6 GLN H H 1 8.377 0.024 . 1 . . . . 6 Q H . 18197 1 40 . 1 1 6 6 GLN HA H 1 4.323 0.002 . 1 . . . . 6 Q HA . 18197 1 41 . 1 1 6 6 GLN HB2 H 1 2.106 0.001 . 2 . . . . 6 Q HB2 . 18197 1 42 . 1 1 6 6 GLN HB3 H 1 1.958 0.001 . 2 . . . . 6 Q HB3 . 18197 1 43 . 1 1 6 6 GLN HG2 H 1 2.349 0.004 . 2 . . . . 6 Q QG . 18197 1 44 . 1 1 6 6 GLN HG3 H 1 2.349 0.003 . 2 . . . . 6 Q QG . 18197 1 45 . 1 1 6 6 GLN HE21 H 1 7.54 0.035 . 2 . . . . 6 Q HE21 . 18197 1 46 . 1 1 6 6 GLN HE22 H 1 6.852 0.035 . 2 . . . . 6 Q HE22 . 18197 1 47 . 1 1 6 6 GLN C C 13 175.51 0.010 . 1 . . . . 6 Q C . 18197 1 48 . 1 1 6 6 GLN CA C 13 55.872 0.069 . 1 . . . . 6 Q CA . 18197 1 49 . 1 1 6 6 GLN CB C 13 29.626 0.106 . 1 . . . . 6 Q CB . 18197 1 50 . 1 1 6 6 GLN CG C 13 33.728 0.162 . 1 . . . . 6 Q CG . 18197 1 51 . 1 1 6 6 GLN N N 15 119.035 0.054 . 1 . . . . 6 Q N . 18197 1 52 . 1 1 6 6 GLN NE2 N 15 112.408 0.210 . 1 . . . . 6 Q NE2 . 18197 1 53 . 1 1 7 7 ASP H H 1 8.296 0.024 . 1 . . . . 7 D H . 18197 1 54 . 1 1 7 7 ASP HA H 1 4.631 0.002 . 1 . . . . 7 D HA . 18197 1 55 . 1 1 7 7 ASP HB2 H 1 2.613 0.001 . 2 . . . . 7 D HB2 . 18197 1 56 . 1 1 7 7 ASP HB3 H 1 2.532 0.001 . 2 . . . . 7 D HB3 . 18197 1 57 . 1 1 7 7 ASP C C 13 175.819 0.014 . 1 . . . . 7 D C . 18197 1 58 . 1 1 7 7 ASP CA C 13 54.093 0.053 . 1 . . . . 7 D CA . 18197 1 59 . 1 1 7 7 ASP CB C 13 41.805 0.076 . 1 . . . . 7 D CB . 18197 1 60 . 1 1 7 7 ASP N N 15 121.195 0.032 . 1 . . . . 7 D N . 18197 1 61 . 1 1 8 8 ASP H H 1 8.346 0.025 . 1 . . . . 8 D H . 18197 1 62 . 1 1 8 8 ASP HA H 1 4.747 0.001 . 1 . . . . 8 D HA . 18197 1 63 . 1 1 8 8 ASP HB2 H 1 3.241 0.002 . 2 . . . . 8 D QB . 18197 1 64 . 1 1 8 8 ASP HB3 H 1 3.241 0.002 . 2 . . . . 8 D QB . 18197 1 65 . 1 1 8 8 ASP C C 13 175.817 0.025 . 1 . . . . 8 D C . 18197 1 66 . 1 1 8 8 ASP CA C 13 52.399 0.139 . 1 . . . . 8 D CA . 18197 1 67 . 1 1 8 8 ASP CB C 13 42.895 0.010 . 1 . . . . 8 D CB . 18197 1 68 . 1 1 8 8 ASP N N 15 123.174 0.026 . 1 . . . . 8 D N . 18197 1 69 . 1 1 9 9 PRO HA H 1 4.5 0.001 . 1 . . . . 9 P HA . 18197 1 70 . 1 1 9 9 PRO HB2 H 1 2.434 0.001 . 2 . . . . 9 P HB2 . 18197 1 71 . 1 1 9 9 PRO HB3 H 1 2.051 0.020 . 2 . . . . 9 P HB3 . 18197 1 72 . 1 1 9 9 PRO HG2 H 1 2.103 0.004 . 2 . . . . 9 P QG . 18197 1 73 . 1 1 9 9 PRO HG3 H 1 2.103 0.004 . 2 . . . . 9 P QG . 18197 1 74 . 1 1 9 9 PRO HD2 H 1 4.016 0.002 . 2 . . . . 9 P QD . 18197 1 75 . 1 1 9 9 PRO HD3 H 1 4.016 0.002 . 2 . . . . 9 P QD . 18197 1 76 . 1 1 9 9 PRO C C 13 179.305 0.001 . 1 . . . . 9 P C . 18197 1 77 . 1 1 9 9 PRO CA C 13 65.013 0.125 . 1 . . . . 9 P CA . 18197 1 78 . 1 1 9 9 PRO CB C 13 32.346 0.043 . 1 . . . . 9 P CB . 18197 1 79 . 1 1 9 9 PRO CG C 13 27.606 0.007 . 1 . . . . 9 P CG . 18197 1 80 . 1 1 9 9 PRO CD C 13 51.597 0.008 . 1 . . . . 9 P CD . 18197 1 81 . 1 1 10 10 ARG H H 1 9.024 0.023 . 1 . . . . 10 R H . 18197 1 82 . 1 1 10 10 ARG HA H 1 4.19 0.003 . 1 . . . . 10 R HA . 18197 1 83 . 1 1 10 10 ARG HB2 H 1 2.008 0.001 . 2 . . . . 10 R QB . 18197 1 84 . 1 1 10 10 ARG HB3 H 1 2.008 0.001 . 2 . . . . 10 R QB . 18197 1 85 . 1 1 10 10 ARG HG2 H 1 1.945 0.001 . 2 . . . . 10 R QG . 18197 1 86 . 1 1 10 10 ARG HG3 H 1 1.945 0.001 . 2 . . . . 10 R QG . 18197 1 87 . 1 1 10 10 ARG HD2 H 1 2.99 0.001 . 2 . . . . 10 R QD . 18197 1 88 . 1 1 10 10 ARG HD3 H 1 2.99 0.001 . 2 . . . . 10 R QD . 18197 1 89 . 1 1 10 10 ARG C C 13 180.177 0.005 . 1 . . . . 10 R C . 18197 1 90 . 1 1 10 10 ARG CA C 13 59.654 0.212 . 1 . . . . 10 R CA . 18197 1 91 . 1 1 10 10 ARG CB C 13 30.301 0.043 . 1 . . . . 10 R CB . 18197 1 92 . 1 1 10 10 ARG CG C 13 27.283 0.125 . 1 . . . . 10 R CG . 18197 1 93 . 1 1 10 10 ARG CD C 13 43.851 0.253 . 1 . . . . 10 R CD . 18197 1 94 . 1 1 10 10 ARG N N 15 118.343 0.026 . 1 . . . . 10 R N . 18197 1 95 . 1 1 11 11 TYR H H 1 8.139 0.023 . 1 . . . . 11 Y H . 18197 1 96 . 1 1 11 11 TYR HA H 1 5.265 0.003 . 1 . . . . 11 Y HA . 18197 1 97 . 1 1 11 11 TYR HB2 H 1 3.209 0.001 . 2 . . . . 11 Y HB2 . 18197 1 98 . 1 1 11 11 TYR HB3 H 1 3.111 0.001 . 2 . . . . 11 Y HB3 . 18197 1 99 . 1 1 11 11 TYR C C 13 177.257 0.015 . 1 . . . . 11 Y C . 18197 1 100 . 1 1 11 11 TYR CA C 13 58.462 0.002 . 1 . . . . 11 Y CA . 18197 1 101 . 1 1 11 11 TYR CB C 13 38.846 0.010 . 1 . . . . 11 Y CB . 18197 1 102 . 1 1 11 11 TYR N N 15 123.421 0.058 . 1 . . . . 11 Y N . 18197 1 103 . 1 1 12 12 THR H H 1 8.117 0.026 . 1 . . . . 12 T H . 18197 1 104 . 1 1 12 12 THR HA H 1 3.635 0.003 . 1 . . . . 12 T HA . 18197 1 105 . 1 1 12 12 THR HB H 1 4.216 0.002 . 1 . . . . 12 T HB . 18197 1 106 . 1 1 12 12 THR HG21 H 1 1.221 0.001 . 1 . . . . 12 T MG . 18197 1 107 . 1 1 12 12 THR HG22 H 1 1.221 0.001 . 1 . . . . 12 T MG . 18197 1 108 . 1 1 12 12 THR HG23 H 1 1.221 0.001 . 1 . . . . 12 T MG . 18197 1 109 . 1 1 12 12 THR C C 13 177.331 0.002 . 1 . . . . 12 T C . 18197 1 110 . 1 1 12 12 THR CA C 13 67.023 0.143 . 1 . . . . 12 T CA . 18197 1 111 . 1 1 12 12 THR CB C 13 68.26 0.048 . 1 . . . . 12 T CB . 18197 1 112 . 1 1 12 12 THR CG2 C 13 22.38 0.143 . 1 . . . . 12 T CG2 . 18197 1 113 . 1 1 12 12 THR N N 15 115.863 0.092 . 1 . . . . 12 T N . 18197 1 114 . 1 1 13 13 LYS H H 1 8.07 0.024 . 1 . . . . 13 K H . 18197 1 115 . 1 1 13 13 LYS HA H 1 4.102 0.003 . 1 . . . . 13 K HA . 18197 1 116 . 1 1 13 13 LYS HB2 H 1 1.919 0.002 . 2 . . . . 13 K QB . 18197 1 117 . 1 1 13 13 LYS HB3 H 1 1.919 0.002 . 2 . . . . 13 K QB . 18197 1 118 . 1 1 13 13 LYS HG2 H 1 1.565 0.002 . 2 . . . . 13 K HG2 . 18197 1 119 . 1 1 13 13 LYS HG3 H 1 1.383 0.001 . 2 . . . . 13 K HG3 . 18197 1 120 . 1 1 13 13 LYS HD2 H 1 1.726 0.001 . 2 . . . . 13 K HD2 . 18197 1 121 . 1 1 13 13 LYS HD3 H 1 1.657 0.001 . 2 . . . . 13 K HD3 . 18197 1 122 . 1 1 13 13 LYS HE2 H 1 3.007 0.001 . 2 . . . . 13 K QE . 18197 1 123 . 1 1 13 13 LYS HE3 H 1 3.007 0.001 . 2 . . . . 13 K QE . 18197 1 124 . 1 1 13 13 LYS C C 13 177.515 0.008 . 1 . . . . 13 K C . 18197 1 125 . 1 1 13 13 LYS CA C 13 60.257 0.118 . 1 . . . . 13 K CA . 18197 1 126 . 1 1 13 13 LYS CB C 13 32.224 0.006 . 1 . . . . 13 K CB . 18197 1 127 . 1 1 13 13 LYS CG C 13 25.161 0.003 . 1 . . . . 13 K CG . 18197 1 128 . 1 1 13 13 LYS CD C 13 29.685 0.143 . 1 . . . . 13 K CD . 18197 1 129 . 1 1 13 13 LYS CE C 13 42.25 0.135 . 1 . . . . 13 K CE . 18197 1 130 . 1 1 13 13 LYS N N 15 122.17 0.076 . 1 . . . . 13 K N . 18197 1 131 . 1 1 14 14 PHE H H 1 7.889 0.024 . 1 . . . . 14 F H . 18197 1 132 . 1 1 14 14 PHE HA H 1 4.348 0.001 . 1 . . . . 14 F HA . 18197 1 133 . 1 1 14 14 PHE HB2 H 1 3.055 0.001 . 2 . . . . 14 F QB . 18197 1 134 . 1 1 14 14 PHE HB3 H 1 3.055 0.001 . 2 . . . . 14 F QB . 18197 1 135 . 1 1 14 14 PHE C C 13 177.499 0.007 . 1 . . . . 14 F C . 18197 1 136 . 1 1 14 14 PHE CA C 13 62.166 0.057 . 1 . . . . 14 F CA . 18197 1 137 . 1 1 14 14 PHE CB C 13 38.975 0.011 . 1 . . . . 14 F CB . 18197 1 138 . 1 1 14 14 PHE N N 15 121.597 0.133 . 1 . . . . 14 F N . 18197 1 139 . 1 1 15 15 LEU H H 1 8.481 0.024 . 1 . . . . 15 L H . 18197 1 140 . 1 1 15 15 LEU HA H 1 3.961 0.002 . 1 . . . . 15 L HA . 18197 1 141 . 1 1 15 15 LEU HB2 H 1 1.985 0.001 . 2 . . . . 15 L HB2 . 18197 1 142 . 1 1 15 15 LEU HB3 H 1 1.437 0.007 . 2 . . . . 15 L HB3 . 18197 1 143 . 1 1 15 15 LEU HG H 1 1.309 0.002 . 1 . . . . 15 L HG . 18197 1 144 . 1 1 15 15 LEU HD11 H 1 0.637 0.003 . 2 . . . . 15 L MD1 . 18197 1 145 . 1 1 15 15 LEU HD12 H 1 0.637 0.003 . 2 . . . . 15 L MD1 . 18197 1 146 . 1 1 15 15 LEU HD13 H 1 0.637 0.003 . 2 . . . . 15 L MD1 . 18197 1 147 . 1 1 15 15 LEU HD21 H 1 0.428 0.001 . 2 . . . . 15 L MD2 . 18197 1 148 . 1 1 15 15 LEU HD22 H 1 0.428 0.001 . 2 . . . . 15 L MD2 . 18197 1 149 . 1 1 15 15 LEU HD23 H 1 0.428 0.001 . 2 . . . . 15 L MD2 . 18197 1 150 . 1 1 15 15 LEU C C 13 180.698 0.010 . 1 . . . . 15 L C . 18197 1 151 . 1 1 15 15 LEU CA C 13 57.595 0.072 . 1 . . . . 15 L CA . 18197 1 152 . 1 1 15 15 LEU CB C 13 41.763 0.131 . 1 . . . . 15 L CB . 18197 1 153 . 1 1 15 15 LEU CG C 13 25.992 0.060 . 1 . . . . 15 L CG . 18197 1 154 . 1 1 15 15 LEU CD1 C 13 22.73 0.267 . 2 . . . . 15 L CD1 . 18197 1 155 . 1 1 15 15 LEU CD2 C 13 22.586 0.038 . 2 . . . . 15 L CD2 . 18197 1 156 . 1 1 15 15 LEU N N 15 119.915 0.079 . 1 . . . . 15 L N . 18197 1 157 . 1 1 16 16 THR H H 1 8.464 0.024 . 1 . . . . 16 T H . 18197 1 158 . 1 1 16 16 THR HA H 1 3.965 0.006 . 1 . . . . 16 T HA . 18197 1 159 . 1 1 16 16 THR HB H 1 4.348 0.002 . 1 . . . . 16 T HB . 18197 1 160 . 1 1 16 16 THR HG21 H 1 1.3 0.001 . 1 . . . . 16 T MG . 18197 1 161 . 1 1 16 16 THR HG22 H 1 1.3 0.001 . 1 . . . . 16 T MG . 18197 1 162 . 1 1 16 16 THR HG23 H 1 1.3 0.001 . 1 . . . . 16 T MG . 18197 1 163 . 1 1 16 16 THR C C 13 176.159 0.013 . 1 . . . . 16 T C . 18197 1 164 . 1 1 16 16 THR CA C 13 66.613 0.053 . 1 . . . . 16 T CA . 18197 1 165 . 1 1 16 16 THR CB C 13 69.198 0.076 . 1 . . . . 16 T CB . 18197 1 166 . 1 1 16 16 THR CG2 C 13 22.284 0.024 . 1 . . . . 16 T CG2 . 18197 1 167 . 1 1 16 16 THR N N 15 117.88 0.060 . 1 . . . . 16 T N . 18197 1 168 . 1 1 17 17 GLN H H 1 8.115 0.026 . 1 . . . . 17 Q H . 18197 1 169 . 1 1 17 17 GLN HA H 1 3.864 0.003 . 1 . . . . 17 Q HA . 18197 1 170 . 1 1 17 17 GLN HB2 H 1 1.511 0.009 . 2 . . . . 17 Q HB2 . 18197 1 171 . 1 1 17 17 GLN HB3 H 1 1.228 0.004 . 2 . . . . 17 Q HB3 . 18197 1 172 . 1 1 17 17 GLN HG2 H 1 2.611 0.024 . 2 . . . . 17 Q HG2 . 18197 1 173 . 1 1 17 17 GLN HG3 H 1 1.875 0.024 . 2 . . . . 17 Q HG3 . 18197 1 174 . 1 1 17 17 GLN HE21 H 1 7.067 0.041 . 2 . . . . 17 Q HE21 . 18197 1 175 . 1 1 17 17 GLN HE22 H 1 6.665 0.041 . 2 . . . . 17 Q HE22 . 18197 1 176 . 1 1 17 17 GLN C C 13 175.268 0.006 . 1 . . . . 17 Q C . 18197 1 177 . 1 1 17 17 GLN CA C 13 58.135 0.117 . 1 . . . . 17 Q CA . 18197 1 178 . 1 1 17 17 GLN CB C 13 28.631 0.108 . 1 . . . . 17 Q CB . 18197 1 179 . 1 1 17 17 GLN CG C 13 34.258 0.466 . 1 . . . . 17 Q CG . 18197 1 180 . 1 1 17 17 GLN N N 15 115.879 0.055 . 1 . . . . 17 Q N . 18197 1 181 . 1 1 17 17 GLN NE2 N 15 110.442 0.118 . 1 . . . . 17 Q NE2 . 18197 1 182 . 1 1 18 18 HIS H H 1 8.033 0.023 . 1 . . . . 18 H H . 18197 1 183 . 1 1 18 18 HIS HA H 1 4.743 0.013 . 1 . . . . 18 H HA . 18197 1 184 . 1 1 18 18 HIS HB2 H 1 3.153 0.001 . 2 . . . . 18 H QB . 18197 1 185 . 1 1 18 18 HIS HB3 H 1 3.153 0.012 . 2 . . . . 18 H QB . 18197 1 186 . 1 1 18 18 HIS C C 13 174.299 0.013 . 1 . . . . 18 H C . 18197 1 187 . 1 1 18 18 HIS CA C 13 54.929 0.232 . 1 . . . . 18 H CA . 18197 1 188 . 1 1 18 18 HIS CB C 13 28.73 0.010 . 1 . . . . 18 H CB . 18197 1 189 . 1 1 18 18 HIS N N 15 106.685 0.072 . 1 . . . . 18 H N . 18197 1 190 . 1 1 19 19 TYR H H 1 8.388 0.023 . 1 . . . . 19 Y H . 18197 1 191 . 1 1 19 19 TYR HA H 1 5.676 0.003 . 1 . . . . 19 Y HA . 18197 1 192 . 1 1 19 19 TYR HB2 H 1 3.367 0.001 . 2 . . . . 19 Y HB2 . 18197 1 193 . 1 1 19 19 TYR HB3 H 1 2.658 0.001 . 2 . . . . 19 Y HB3 . 18197 1 194 . 1 1 19 19 TYR C C 13 174.39 0.015 . 1 . . . . 19 Y C . 18197 1 195 . 1 1 19 19 TYR CA C 13 56.874 0.149 . 1 . . . . 19 Y CA . 18197 1 196 . 1 1 19 19 TYR CB C 13 42.149 0.039 . 1 . . . . 19 Y CB . 18197 1 197 . 1 1 19 19 TYR N N 15 120.4 0.144 . 1 . . . . 19 Y N . 18197 1 198 . 1 1 20 20 ASP H H 1 8.195 0.022 . 1 . . . . 20 D H . 18197 1 199 . 1 1 20 20 ASP HA H 1 4.428 0.001 . 1 . . . . 20 D HA . 18197 1 200 . 1 1 20 20 ASP HB2 H 1 2.237 0.001 . 2 . . . . 20 D QB . 18197 1 201 . 1 1 20 20 ASP HB3 H 1 2.237 0.001 . 2 . . . . 20 D QB . 18197 1 202 . 1 1 20 20 ASP C C 13 174.714 0.006 . 1 . . . . 20 D C . 18197 1 203 . 1 1 20 20 ASP CA C 13 53.801 0.051 . 1 . . . . 20 D CA . 18197 1 204 . 1 1 20 20 ASP CB C 13 42.115 0.046 . 1 . . . . 20 D CB . 18197 1 205 . 1 1 20 20 ASP N N 15 127.605 0.060 . 1 . . . . 20 D N . 18197 1 206 . 1 1 21 21 ALA H H 1 8.289 0.023 . 1 . . . . 21 A H . 18197 1 207 . 1 1 21 21 ALA HA H 1 4.05 0.001 . 1 . . . . 21 A HA . 18197 1 208 . 1 1 21 21 ALA HB1 H 1 1.538 0.001 . 1 . . . . 21 A QB . 18197 1 209 . 1 1 21 21 ALA HB2 H 1 1.538 0.001 . 1 . . . . 21 A QB . 18197 1 210 . 1 1 21 21 ALA HB3 H 1 1.538 0.001 . 1 . . . . 21 A QB . 18197 1 211 . 1 1 21 21 ALA C C 13 178.807 0.003 . 1 . . . . 21 A C . 18197 1 212 . 1 1 21 21 ALA CA C 13 56.796 0.083 . 1 . . . . 21 A CA . 18197 1 213 . 1 1 21 21 ALA CB C 13 20.311 0.035 . 1 . . . . 21 A CB . 18197 1 214 . 1 1 21 21 ALA N N 15 129.022 0.047 . 1 . . . . 21 A N . 18197 1 215 . 1 1 22 22 LYS H H 1 8.35 0.025 . 1 . . . . 22 K H . 18197 1 216 . 1 1 22 22 LYS HA H 1 4.629 0.001 . 1 . . . . 22 K HA . 18197 1 217 . 1 1 22 22 LYS HB2 H 1 1.681 0.002 . 2 . . . . 22 K HB2 . 18197 1 218 . 1 1 22 22 LYS HB3 H 1 1.51 0.001 . 2 . . . . 22 K HB3 . 18197 1 219 . 1 1 22 22 LYS HG2 H 1 1.226 0.003 . 2 . . . . 22 K QG . 18197 1 220 . 1 1 22 22 LYS HG3 H 1 1.226 0.003 . 2 . . . . 22 K QG . 18197 1 221 . 1 1 22 22 LYS HD2 H 1 1.617 0.005 . 2 . . . . 22 K QD . 18197 1 222 . 1 1 22 22 LYS HD3 H 1 1.617 0.005 . 2 . . . . 22 K QD . 18197 1 223 . 1 1 22 22 LYS HE2 H 1 2.926 0.001 . 2 . . . . 22 K QE . 18197 1 224 . 1 1 22 22 LYS HE3 H 1 2.926 0.001 . 2 . . . . 22 K QE . 18197 1 225 . 1 1 22 22 LYS C C 13 172.508 0.003 . 1 . . . . 22 K C . 18197 1 226 . 1 1 22 22 LYS CA C 13 53.226 0.043 . 1 . . . . 22 K CA . 18197 1 227 . 1 1 22 22 LYS CB C 13 33.255 0.095 . 1 . . . . 22 K CB . 18197 1 228 . 1 1 22 22 LYS CG C 13 24.732 0.007 . 1 . . . . 22 K CG . 18197 1 229 . 1 1 22 22 LYS CD C 13 29.676 0.012 . 1 . . . . 22 K CD . 18197 1 230 . 1 1 22 22 LYS CE C 13 42.386 0.033 . 1 . . . . 22 K CE . 18197 1 231 . 1 1 22 22 LYS N N 15 116.872 0.043 . 1 . . . . 22 K N . 18197 1 232 . 1 1 23 23 PRO HA H 1 4.443 0.008 . 1 . . . . 23 P HA . 18197 1 233 . 1 1 23 23 PRO HB2 H 1 2.423 0.001 . 2 . . . . 23 P HB2 . 18197 1 234 . 1 1 23 23 PRO HB3 H 1 1.902 0.001 . 2 . . . . 23 P HB3 . 18197 1 235 . 1 1 23 23 PRO HG2 H 1 2.101 0.067 . 2 . . . . 23 P QG . 18197 1 236 . 1 1 23 23 PRO HG3 H 1 2.101 0.067 . 2 . . . . 23 P QG . 18197 1 237 . 1 1 23 23 PRO HD2 H 1 3.878 0.001 . 2 . . . . 23 P HD2 . 18197 1 238 . 1 1 23 23 PRO HD3 H 1 3.815 0.001 . 2 . . . . 23 P HD3 . 18197 1 239 . 1 1 23 23 PRO C C 13 175.278 0.003 . 1 . . . . 23 P C . 18197 1 240 . 1 1 23 23 PRO CA C 13 64.676 0.019 . 1 . . . . 23 P CA . 18197 1 241 . 1 1 23 23 PRO CB C 13 32.31 0.003 . 1 . . . . 23 P CB . 18197 1 242 . 1 1 23 23 PRO CG C 13 28.131 0.003 . 1 . . . . 23 P CG . 18197 1 243 . 1 1 23 23 PRO CD C 13 51.321 0.007 . 1 . . . . 23 P CD . 18197 1 244 . 1 1 24 24 LYS H H 1 8.164 0.023 . 1 . . . . 24 K H . 18197 1 245 . 1 1 24 24 LYS HA H 1 4.406 0.001 . 1 . . . . 24 K HA . 18197 1 246 . 1 1 24 24 LYS HB2 H 1 2.526 0.001 . 2 . . . . 24 K HB2 . 18197 1 247 . 1 1 24 24 LYS HB3 H 1 2.227 0.001 . 2 . . . . 24 K HB3 . 18197 1 248 . 1 1 24 24 LYS HG2 H 1 1.811 0.001 . 2 . . . . 24 K QG . 18197 1 249 . 1 1 24 24 LYS HG3 H 1 1.811 0.001 . 2 . . . . 24 K QG . 18197 1 250 . 1 1 24 24 LYS HD2 H 1 1.879 0.001 . 2 . . . . 24 K QD . 18197 1 251 . 1 1 24 24 LYS HD3 H 1 1.879 0.001 . 2 . . . . 24 K QD . 18197 1 252 . 1 1 24 24 LYS C C 13 173.923 0.024 . 1 . . . . 24 K C . 18197 1 253 . 1 1 24 24 LYS CA C 13 57.7 0.094 . 1 . . . . 24 K CA . 18197 1 254 . 1 1 24 24 LYS CB C 13 41.698 0.034 . 1 . . . . 24 K CB . 18197 1 255 . 1 1 24 24 LYS N N 15 126.169 0.038 . 1 . . . . 24 K N . 18197 1 256 . 1 1 25 25 GLY H H 1 7.754 0.023 . 1 . . . . 25 G H . 18197 1 257 . 1 1 25 25 GLY HA2 H 1 4.001 0.001 . 1 . . . . 25 G HA2 . 18197 1 258 . 1 1 25 25 GLY HA3 H 1 3.561 0.001 . 1 . . . . 25 G HA3 . 18197 1 259 . 1 1 25 25 GLY C C 13 171.628 0.007 . 1 . . . . 25 G C . 18197 1 260 . 1 1 25 25 GLY CA C 13 45.284 0.032 . 1 . . . . 25 G CA . 18197 1 261 . 1 1 25 25 GLY N N 15 111.998 0.033 . 1 . . . . 25 G N . 18197 1 262 . 1 1 26 26 ARG H H 1 7.541 0.028 . 1 . . . . 26 R H . 18197 1 263 . 1 1 26 26 ARG HA H 1 3.674 0.006 . 1 . . . . 26 R HA . 18197 1 264 . 1 1 26 26 ARG HB2 H 1 2.027 0.003 . 2 . . . . 26 R HB2 . 18197 1 265 . 1 1 26 26 ARG HB3 H 1 1.247 0.021 . 2 . . . . 26 R HB3 . 18197 1 266 . 1 1 26 26 ARG HG2 H 1 1.048 0.001 . 2 . . . . 26 R HG2 . 18197 1 267 . 1 1 26 26 ARG HG3 H 1 0.827 0.001 . 2 . . . . 26 R HG3 . 18197 1 268 . 1 1 26 26 ARG HD2 H 1 2.613 0.001 . 2 . . . . 26 R QD . 18197 1 269 . 1 1 26 26 ARG HD3 H 1 2.613 0.001 . 2 . . . . 26 R QD . 18197 1 270 . 1 1 26 26 ARG C C 13 173.48 0.004 . 1 . . . . 26 R C . 18197 1 271 . 1 1 26 26 ARG CA C 13 54.846 0.119 . 1 . . . . 26 R CA . 18197 1 272 . 1 1 26 26 ARG CB C 13 28.945 0.102 . 1 . . . . 26 R CB . 18197 1 273 . 1 1 26 26 ARG CG C 13 22.368 0.217 . 1 . . . . 26 R CG . 18197 1 274 . 1 1 26 26 ARG N N 15 113.589 0.074 . 1 . . . . 26 R N . 18197 1 275 . 1 1 27 27 ASP H H 1 7.707 0.023 . 1 . . . . 27 D H . 18197 1 276 . 1 1 27 27 ASP HA H 1 4.745 0.001 . 1 . . . . 27 D HA . 18197 1 277 . 1 1 27 27 ASP HB2 H 1 3.244 0.002 . 2 . . . . 27 D HB2 . 18197 1 278 . 1 1 27 27 ASP HB3 H 1 2.613 0.001 . 2 . . . . 27 D HB3 . 18197 1 279 . 1 1 27 27 ASP C C 13 176.229 0.016 . 1 . . . . 27 D C . 18197 1 280 . 1 1 27 27 ASP CA C 13 51.974 0.045 . 1 . . . . 27 D CA . 18197 1 281 . 1 1 27 27 ASP CB C 13 43.085 0.129 . 1 . . . . 27 D CB . 18197 1 282 . 1 1 27 27 ASP N N 15 117.586 0.080 . 1 . . . . 27 D N . 18197 1 283 . 1 1 28 28 ALA H H 1 8.529 0.023 . 1 . . . . 28 A H . 18197 1 284 . 1 1 28 28 ALA HA H 1 3.752 0.011 . 1 . . . . 28 A HA . 18197 1 285 . 1 1 28 28 ALA HB1 H 1 1.671 0.001 . 1 . . . . 28 A QB . 18197 1 286 . 1 1 28 28 ALA HB2 H 1 1.671 0.001 . 1 . . . . 28 A QB . 18197 1 287 . 1 1 28 28 ALA HB3 H 1 1.671 0.001 . 1 . . . . 28 A QB . 18197 1 288 . 1 1 28 28 ALA C C 13 179.274 0.005 . 1 . . . . 28 A C . 18197 1 289 . 1 1 28 28 ALA CA C 13 56.973 0.089 . 1 . . . . 28 A CA . 18197 1 290 . 1 1 28 28 ALA CB C 13 18.836 0.020 . 1 . . . . 28 A CB . 18197 1 291 . 1 1 28 28 ALA N N 15 123.364 0.043 . 1 . . . . 28 A N . 18197 1 292 . 1 1 29 29 ARG H H 1 7.745 0.024 . 1 . . . . 29 R H . 18197 1 293 . 1 1 29 29 ARG HA H 1 4.012 0.003 . 1 . . . . 29 R HA . 18197 1 294 . 1 1 29 29 ARG HB2 H 1 1.91 0.001 . 2 . . . . 29 R QB . 18197 1 295 . 1 1 29 29 ARG HB3 H 1 1.91 0.001 . 2 . . . . 29 R QB . 18197 1 296 . 1 1 29 29 ARG HG2 H 1 1.65 0.001 . 2 . . . . 29 R HG2 . 18197 1 297 . 1 1 29 29 ARG HG3 H 1 1.593 0.001 . 2 . . . . 29 R HG3 . 18197 1 298 . 1 1 29 29 ARG HD2 H 1 3.143 0.001 . 2 . . . . 29 R HD2 . 18197 1 299 . 1 1 29 29 ARG HD3 H 1 3.03 0.001 . 2 . . . . 29 R HD3 . 18197 1 300 . 1 1 29 29 ARG C C 13 179.384 0.014 . 1 . . . . 29 R C . 18197 1 301 . 1 1 29 29 ARG CA C 13 59.668 0.174 . 1 . . . . 29 R CA . 18197 1 302 . 1 1 29 29 ARG CB C 13 29.481 0.016 . 1 . . . . 29 R CB . 18197 1 303 . 1 1 29 29 ARG CG C 13 27.317 0.089 . 1 . . . . 29 R CG . 18197 1 304 . 1 1 29 29 ARG CD C 13 43.79 0.093 . 1 . . . . 29 R CD . 18197 1 305 . 1 1 29 29 ARG N N 15 116.577 0.041 . 1 . . . . 29 R N . 18197 1 306 . 1 1 30 30 TYR H H 1 7.935 0.023 . 1 . . . . 30 Y H . 18197 1 307 . 1 1 30 30 TYR HA H 1 4.115 0.003 . 1 . . . . 30 Y HA . 18197 1 308 . 1 1 30 30 TYR HB2 H 1 3.468 0.001 . 2 . . . . 30 Y HB2 . 18197 1 309 . 1 1 30 30 TYR HB3 H 1 3.108 0.001 . 2 . . . . 30 Y HB3 . 18197 1 310 . 1 1 30 30 TYR C C 13 176.955 0.008 . 1 . . . . 30 Y C . 18197 1 311 . 1 1 30 30 TYR CA C 13 61.414 0.104 . 1 . . . . 30 Y CA . 18197 1 312 . 1 1 30 30 TYR CB C 13 37.207 0.007 . 1 . . . . 30 Y CB . 18197 1 313 . 1 1 30 30 TYR N N 15 122.466 0.054 . 1 . . . . 30 Y N . 18197 1 314 . 1 1 31 31 CYS H H 1 8.402 0.025 . 1 . . . . 31 C H . 18197 1 315 . 1 1 31 31 CYS HA H 1 3.756 0.003 . 1 . . . . 31 C HA . 18197 1 316 . 1 1 31 31 CYS HB2 H 1 3.092 0.001 . 2 . . . . 31 C HB2 . 18197 1 317 . 1 1 31 31 CYS HB3 H 1 2.295 0.001 . 2 . . . . 31 C HB3 . 18197 1 318 . 1 1 31 31 CYS C C 13 176.21 0.012 . 1 . . . . 31 C C . 18197 1 319 . 1 1 31 31 CYS CA C 13 60.592 0.033 . 1 . . . . 31 C CA . 18197 1 320 . 1 1 31 31 CYS CB C 13 39.768 0.006 . 1 . . . . 31 C CB . 18197 1 321 . 1 1 31 31 CYS N N 15 116.69 0.052 . 1 . . . . 31 C N . 18197 1 322 . 1 1 32 32 GLU H H 1 8.923 0.022 . 1 . . . . 32 E H . 18197 1 323 . 1 1 32 32 GLU HA H 1 3.825 0.001 . 1 . . . . 32 E HA . 18197 1 324 . 1 1 32 32 GLU HB2 H 1 2.194 0.023 . 2 . . . . 32 E HB2 . 18197 1 325 . 1 1 32 32 GLU HB3 H 1 2.135 0.018 . 2 . . . . 32 E HB3 . 18197 1 326 . 1 1 32 32 GLU HG2 H 1 2.864 0.012 . 2 . . . . 32 E HG2 . 18197 1 327 . 1 1 32 32 GLU HG3 H 1 2.769 0.012 . 2 . . . . 32 E HG3 . 18197 1 328 . 1 1 32 32 GLU C C 13 179.077 0.005 . 1 . . . . 32 E C . 18197 1 329 . 1 1 32 32 GLU CA C 13 60.898 0.212 . 1 . . . . 32 E CA . 18197 1 330 . 1 1 32 32 GLU CB C 13 28.971 0.176 . 1 . . . . 32 E CB . 18197 1 331 . 1 1 32 32 GLU CG C 13 38.656 0.120 . 1 . . . . 32 E CG . 18197 1 332 . 1 1 32 32 GLU N N 15 118.656 0.057 . 1 . . . . 32 E N . 18197 1 333 . 1 1 33 33 SER H H 1 7.845 0.025 . 1 . . . . 33 S H . 18197 1 334 . 1 1 33 33 SER HA H 1 4.465 0.001 . 1 . . . . 33 S HA . 18197 1 335 . 1 1 33 33 SER HB2 H 1 3.839 0.003 . 2 . . . . 33 S QB . 18197 1 336 . 1 1 33 33 SER HB3 H 1 3.839 0.018 . 2 . . . . 33 S QB . 18197 1 337 . 1 1 33 33 SER C C 13 176.909 0.002 . 1 . . . . 33 S C . 18197 1 338 . 1 1 33 33 SER CA C 13 60.883 0.006 . 1 . . . . 33 S CA . 18197 1 339 . 1 1 33 33 SER CB C 13 63.204 0.074 . 1 . . . . 33 S CB . 18197 1 340 . 1 1 33 33 SER N N 15 113.133 0.077 . 1 . . . . 33 S N . 18197 1 341 . 1 1 34 34 MET H H 1 8.521 0.025 . 1 . . . . 34 M H . 18197 1 342 . 1 1 34 34 MET HA H 1 4.075 0.006 . 1 . . . . 34 M HA . 18197 1 343 . 1 1 34 34 MET HB2 H 1 1.132 0.005 . 2 . . . . 34 M HB2 . 18197 1 344 . 1 1 34 34 MET HB3 H 1 0.863 0.010 . 2 . . . . 34 M HB3 . 18197 1 345 . 1 1 34 34 MET HG2 H 1 1.549 0.011 . 2 . . . . 34 M QG . 18197 1 346 . 1 1 34 34 MET HG3 H 1 1.549 0.011 . 2 . . . . 34 M QG . 18197 1 347 . 1 1 34 34 MET HE1 H 1 0.973 0.001 . 1 . . . . 34 M ME . 18197 1 348 . 1 1 34 34 MET HE2 H 1 0.973 0.001 . 1 . . . . 34 M ME . 18197 1 349 . 1 1 34 34 MET HE3 H 1 0.973 0.001 . 1 . . . . 34 M ME . 18197 1 350 . 1 1 34 34 MET C C 13 178.695 0.013 . 1 . . . . 34 M C . 18197 1 351 . 1 1 34 34 MET CA C 13 56.221 0.167 . 1 . . . . 34 M CA . 18197 1 352 . 1 1 34 34 MET CB C 13 30.159 0.104 . 1 . . . . 34 M CB . 18197 1 353 . 1 1 34 34 MET CG C 13 32.035 0.056 . 1 . . . . 34 M CG . 18197 1 354 . 1 1 34 34 MET CE C 13 25.305 0.120 . 1 . . . . 34 M CE . 18197 1 355 . 1 1 34 34 MET N N 15 121.105 0.055 . 1 . . . . 34 M N . 18197 1 356 . 1 1 35 35 MET H H 1 8.48 0.023 . 1 . . . . 35 M H . 18197 1 357 . 1 1 35 35 MET HA H 1 4.196 0.011 . 1 . . . . 35 M HA . 18197 1 358 . 1 1 35 35 MET HB2 H 1 1.622 0.009 . 2 . . . . 35 M HB2 . 18197 1 359 . 1 1 35 35 MET HB3 H 1 1.368 0.015 . 2 . . . . 35 M HB3 . 18197 1 360 . 1 1 35 35 MET HG2 H 1 1.802 0.023 . 2 . . . . 35 M QG . 18197 1 361 . 1 1 35 35 MET HG3 H 1 1.802 0.023 . 2 . . . . 35 M QG . 18197 1 362 . 1 1 35 35 MET HE1 H 1 1.223 0.001 . 1 . . . . 35 M ME . 18197 1 363 . 1 1 35 35 MET HE2 H 1 1.223 0.001 . 1 . . . . 35 M ME . 18197 1 364 . 1 1 35 35 MET HE3 H 1 1.223 0.001 . 1 . . . . 35 M ME . 18197 1 365 . 1 1 35 35 MET C C 13 178.32 0.001 . 1 . . . . 35 M C . 18197 1 366 . 1 1 35 35 MET CA C 13 56.969 0.080 . 1 . . . . 35 M CA . 18197 1 367 . 1 1 35 35 MET CB C 13 29.331 0.227 . 1 . . . . 35 M CB . 18197 1 368 . 1 1 35 35 MET CG C 13 33.253 0.145 . 1 . . . . 35 M CG . 18197 1 369 . 1 1 35 35 MET CE C 13 24.928 0.157 . 1 . . . . 35 M CE . 18197 1 370 . 1 1 35 35 MET N N 15 116.132 0.062 . 1 . . . . 35 M N . 18197 1 371 . 1 1 36 36 ARG H H 1 6.762 0.023 . 1 . . . . 36 R H . 18197 1 372 . 1 1 36 36 ARG HA H 1 4.19 0.008 . 1 . . . . 36 R HA . 18197 1 373 . 1 1 36 36 ARG HB2 H 1 1.902 0.003 . 2 . . . . 36 R HB2 . 18197 1 374 . 1 1 36 36 ARG HB3 H 1 1.861 0.047 . 2 . . . . 36 R HB3 . 18197 1 375 . 1 1 36 36 ARG HG2 H 1 1.754 0.001 . 2 . . . . 36 R HG2 . 18197 1 376 . 1 1 36 36 ARG HG3 H 1 1.574 0.001 . 2 . . . . 36 R HG3 . 18197 1 377 . 1 1 36 36 ARG HD2 H 1 3.248 0.003 . 2 . . . . 36 R QD . 18197 1 378 . 1 1 36 36 ARG HD3 H 1 3.248 0.003 . 2 . . . . 36 R QD . 18197 1 379 . 1 1 36 36 ARG C C 13 180.358 0.003 . 1 . . . . 36 R C . 18197 1 380 . 1 1 36 36 ARG CA C 13 59.178 0.145 . 1 . . . . 36 R CA . 18197 1 381 . 1 1 36 36 ARG CB C 13 30.51 0.046 . 1 . . . . 36 R CB . 18197 1 382 . 1 1 36 36 ARG CG C 13 27.495 0.055 . 1 . . . . 36 R CG . 18197 1 383 . 1 1 36 36 ARG CD C 13 43.626 0.043 . 1 . . . . 36 R CD . 18197 1 384 . 1 1 36 36 ARG N N 15 116.72 0.091 . 1 . . . . 36 R N . 18197 1 385 . 1 1 37 37 ARG H H 1 8.536 0.025 . 1 . . . . 37 R H . 18197 1 386 . 1 1 37 37 ARG HA H 1 4.013 0.001 . 1 . . . . 37 R HA . 18197 1 387 . 1 1 37 37 ARG HB2 H 1 1.895 0.047 . 2 . . . . 37 R QB . 18197 1 388 . 1 1 37 37 ARG HB3 H 1 1.895 0.047 . 2 . . . . 37 R QB . 18197 1 389 . 1 1 37 37 ARG HG2 H 1 1.685 0.038 . 2 . . . . 37 R QG . 18197 1 390 . 1 1 37 37 ARG HG3 H 1 1.685 0.038 . 2 . . . . 37 R QG . 18197 1 391 . 1 1 37 37 ARG HD2 H 1 3.235 0.002 . 2 . . . . 37 R QD . 18197 1 392 . 1 1 37 37 ARG HD3 H 1 3.235 0.002 . 2 . . . . 37 R QD . 18197 1 393 . 1 1 37 37 ARG C C 13 178.554 0.020 . 1 . . . . 37 R C . 18197 1 394 . 1 1 37 37 ARG CA C 13 59.581 0.176 . 1 . . . . 37 R CA . 18197 1 395 . 1 1 37 37 ARG CB C 13 30.49 0.088 . 1 . . . . 37 R CB . 18197 1 396 . 1 1 37 37 ARG CG C 13 27.558 0.145 . 1 . . . . 37 R CG . 18197 1 397 . 1 1 37 37 ARG CD C 13 43.548 0.046 . 1 . . . . 37 R CD . 18197 1 398 . 1 1 37 37 ARG N N 15 121.371 0.093 . 1 . . . . 37 R N . 18197 1 399 . 1 1 38 38 ARG H H 1 8.121 0.023 . 1 . . . . 38 R H . 18197 1 400 . 1 1 38 38 ARG HA H 1 4.31 0.062 . 1 . . . . 38 R HA . 18197 1 401 . 1 1 38 38 ARG HB2 H 1 2.28 0.023 . 2 . . . . 38 R HB2 . 18197 1 402 . 1 1 38 38 ARG HB3 H 1 1.733 0.016 . 2 . . . . 38 R HB3 . 18197 1 403 . 1 1 38 38 ARG HG2 H 1 1.9 0.002 . 2 . . . . 38 R QG . 18197 1 404 . 1 1 38 38 ARG HG3 H 1 1.9 0.002 . 2 . . . . 38 R QG . 18197 1 405 . 1 1 38 38 ARG HD2 H 1 3.239 0.042 . 2 . . . . 38 R HD2 . 18197 1 406 . 1 1 38 38 ARG HD3 H 1 3.121 0.036 . 2 . . . . 38 R HD3 . 18197 1 407 . 1 1 38 38 ARG C C 13 175.723 0.015 . 1 . . . . 38 R C . 18197 1 408 . 1 1 38 38 ARG CA C 13 53.429 0.062 . 1 . . . . 38 R CA . 18197 1 409 . 1 1 38 38 ARG CB C 13 28.229 0.073 . 1 . . . . 38 R CB . 18197 1 410 . 1 1 38 38 ARG CG C 13 27.723 0.089 . 1 . . . . 38 R CG . 18197 1 411 . 1 1 38 38 ARG CD C 13 43.748 0.143 . 1 . . . . 38 R CD . 18197 1 412 . 1 1 38 38 ARG N N 15 113.384 0.050 . 1 . . . . 38 R N . 18197 1 413 . 1 1 39 39 GLY H H 1 7.54 0.022 . 1 . . . . 39 G H . 18197 1 414 . 1 1 39 39 GLY HA2 H 1 3.963 0.020 . 1 . . . . 39 G QA . 18197 1 415 . 1 1 39 39 GLY HA3 H 1 3.963 0.020 . 1 . . . . 39 G QA . 18197 1 416 . 1 1 39 39 GLY C C 13 176.561 0.009 . 1 . . . . 39 G C . 18197 1 417 . 1 1 39 39 GLY CA C 13 47.219 0.023 . 1 . . . . 39 G CA . 18197 1 418 . 1 1 39 39 GLY N N 15 106.464 0.074 . 1 . . . . 39 G N . 18197 1 419 . 1 1 40 40 LEU H H 1 8.236 0.026 . 1 . . . . 40 L H . 18197 1 420 . 1 1 40 40 LEU HA H 1 4.707 0.004 . 1 . . . . 40 L HA . 18197 1 421 . 1 1 40 40 LEU HB2 H 1 1.707 0.003 . 2 . . . . 40 L HB2 . 18197 1 422 . 1 1 40 40 LEU HB3 H 1 1.613 0.002 . 2 . . . . 40 L HB3 . 18197 1 423 . 1 1 40 40 LEU HG H 1 1.315 0.003 . 1 . . . . 40 L HG . 18197 1 424 . 1 1 40 40 LEU HD11 H 1 0.71 0.001 . 2 . . . . 40 L MD1 . 18197 1 425 . 1 1 40 40 LEU HD12 H 1 0.71 0.001 . 2 . . . . 40 L MD1 . 18197 1 426 . 1 1 40 40 LEU HD13 H 1 0.71 0.001 . 2 . . . . 40 L MD1 . 18197 1 427 . 1 1 40 40 LEU HD21 H 1 0.639 0.001 . 2 . . . . 40 L MD2 . 18197 1 428 . 1 1 40 40 LEU HD22 H 1 0.639 0.001 . 2 . . . . 40 L MD2 . 18197 1 429 . 1 1 40 40 LEU HD23 H 1 0.639 0.001 . 2 . . . . 40 L MD2 . 18197 1 430 . 1 1 40 40 LEU C C 13 175.15 0.017 . 1 . . . . 40 L C . 18197 1 431 . 1 1 40 40 LEU CA C 13 54.028 0.039 . 1 . . . . 40 L CA . 18197 1 432 . 1 1 40 40 LEU CB C 13 41.271 0.088 . 1 . . . . 40 L CB . 18197 1 433 . 1 1 40 40 LEU CG C 13 26.462 0.006 . 1 . . . . 40 L CG . 18197 1 434 . 1 1 40 40 LEU CD1 C 13 25.474 0.046 . 2 . . . . 40 L CD1 . 18197 1 435 . 1 1 40 40 LEU CD2 C 13 23.066 0.007 . 2 . . . . 40 L CD2 . 18197 1 436 . 1 1 40 40 LEU N N 15 119.864 0.063 . 1 . . . . 40 L N . 18197 1 437 . 1 1 41 41 THR H H 1 7.234 0.024 . 1 . . . . 41 T H . 18197 1 438 . 1 1 41 41 THR HA H 1 4.652 0.001 . 1 . . . . 41 T HA . 18197 1 439 . 1 1 41 41 THR HB H 1 4.79 0.005 . 1 . . . . 41 T HB . 18197 1 440 . 1 1 41 41 THR HG21 H 1 0.77 0.002 . 1 . . . . 41 T MG . 18197 1 441 . 1 1 41 41 THR HG22 H 1 0.77 0.002 . 1 . . . . 41 T MG . 18197 1 442 . 1 1 41 41 THR HG23 H 1 0.77 0.002 . 1 . . . . 41 T MG . 18197 1 443 . 1 1 41 41 THR C C 13 173.057 0.009 . 1 . . . . 41 T C . 18197 1 444 . 1 1 41 41 THR CA C 13 60.662 0.062 . 1 . . . . 41 T CA . 18197 1 445 . 1 1 41 41 THR CB C 13 69.667 0.046 . 1 . . . . 41 T CB . 18197 1 446 . 1 1 41 41 THR CG2 C 13 35.093 0.012 . 1 . . . . 41 T CG2 . 18197 1 447 . 1 1 41 41 THR N N 15 102.515 0.058 . 1 . . . . 41 T N . 18197 1 448 . 1 1 42 42 SER H H 1 7.62 0.023 . 1 . . . . 42 S H . 18197 1 449 . 1 1 42 42 SER HA H 1 4.822 0.001 . 1 . . . . 42 S HA . 18197 1 450 . 1 1 42 42 SER HB2 H 1 3.797 0.001 . 2 . . . . 42 S HB2 . 18197 1 451 . 1 1 42 42 SER HB3 H 1 3.601 0.001 . 2 . . . . 42 S HB3 . 18197 1 452 . 1 1 42 42 SER C C 13 172.501 0.260 . 1 . . . . 42 S C . 18197 1 453 . 1 1 42 42 SER CA C 13 54.347 0.024 . 1 . . . . 42 S CA . 18197 1 454 . 1 1 42 42 SER CB C 13 63.732 0.006 . 1 . . . . 42 S CB . 18197 1 455 . 1 1 42 42 SER N N 15 115.46 0.045 . 1 . . . . 42 S N . 18197 1 456 . 1 1 43 43 PRO HA H 1 4.73 0.001 . 1 . . . . 43 P HA . 18197 1 457 . 1 1 43 43 PRO HB2 H 1 2.182 0.003 . 2 . . . . 43 P QB . 18197 1 458 . 1 1 43 43 PRO HB3 H 1 2.182 0.003 . 2 . . . . 43 P QB . 18197 1 459 . 1 1 43 43 PRO HG2 H 1 1.894 0.001 . 2 . . . . 43 P QG . 18197 1 460 . 1 1 43 43 PRO HG3 H 1 1.894 0.001 . 2 . . . . 43 P QG . 18197 1 461 . 1 1 43 43 PRO HD2 H 1 4.221 0.001 . 2 . . . . 43 P QD . 18197 1 462 . 1 1 43 43 PRO HD3 H 1 4.221 0.001 . 2 . . . . 43 P QD . 18197 1 463 . 1 1 43 43 PRO C C 13 175.687 0.014 . 1 . . . . 43 P C . 18197 1 464 . 1 1 43 43 PRO CA C 13 63.399 0.067 . 1 . . . . 43 P CA . 18197 1 465 . 1 1 43 43 PRO CB C 13 34.662 0.010 . 1 . . . . 43 P CB . 18197 1 466 . 1 1 43 43 PRO CG C 13 23.059 0.073 . 1 . . . . 43 P CG . 18197 1 467 . 1 1 43 43 PRO CD C 13 41.109 0.095 . 1 . . . . 43 P CD . 18197 1 468 . 1 1 44 44 CYS H H 1 7.721 0.024 . 1 . . . . 44 C H . 18197 1 469 . 1 1 44 44 CYS HA H 1 4.102 0.010 . 1 . . . . 44 C HA . 18197 1 470 . 1 1 44 44 CYS HB2 H 1 2.15 0.001 . 2 . . . . 44 C HB2 . 18197 1 471 . 1 1 44 44 CYS HB3 H 1 1.688 0.010 . 2 . . . . 44 C HB3 . 18197 1 472 . 1 1 44 44 CYS C C 13 174.795 0.008 . 1 . . . . 44 C C . 18197 1 473 . 1 1 44 44 CYS CA C 13 54.99 0.141 . 1 . . . . 44 C CA . 18197 1 474 . 1 1 44 44 CYS CB C 13 35.158 0.064 . 1 . . . . 44 C CB . 18197 1 475 . 1 1 44 44 CYS N N 15 112.971 0.092 . 1 . . . . 44 C N . 18197 1 476 . 1 1 45 45 LYS H H 1 8.016 0.023 . 1 . . . . 45 K H . 18197 1 477 . 1 1 45 45 LYS HA H 1 4.074 0.001 . 1 . . . . 45 K HA . 18197 1 478 . 1 1 45 45 LYS HB2 H 1 1.89 0.001 . 2 . . . . 45 K HB2 . 18197 1 479 . 1 1 45 45 LYS HB3 H 1 1.572 0.001 . 2 . . . . 45 K HB3 . 18197 1 480 . 1 1 45 45 LYS HG2 H 1 0.974 0.004 . 2 . . . . 45 K QG . 18197 1 481 . 1 1 45 45 LYS HG3 H 1 0.974 0.004 . 2 . . . . 45 K QG . 18197 1 482 . 1 1 45 45 LYS HD2 H 1 1.332 0.193 . 2 . . . . 45 K QD . 18197 1 483 . 1 1 45 45 LYS HD3 H 1 1.332 0.193 . 2 . . . . 45 K QD . 18197 1 484 . 1 1 45 45 LYS HE2 H 1 3.502 0.008 . 2 . . . . 45 K QE . 18197 1 485 . 1 1 45 45 LYS HE3 H 1 3.502 0.008 . 2 . . . . 45 K QE . 18197 1 486 . 1 1 45 45 LYS C C 13 178.768 0.007 . 1 . . . . 45 K C . 18197 1 487 . 1 1 45 45 LYS CA C 13 57.543 0.078 . 1 . . . . 45 K CA . 18197 1 488 . 1 1 45 45 LYS CB C 13 32.808 0.078 . 1 . . . . 45 K CB . 18197 1 489 . 1 1 45 45 LYS CG C 13 26.084 0.037 . 1 . . . . 45 K CG . 18197 1 490 . 1 1 45 45 LYS CD C 13 29.866 0.021 . 1 . . . . 45 K CD . 18197 1 491 . 1 1 45 45 LYS CE C 13 42.037 0.139 . 1 . . . . 45 K CE . 18197 1 492 . 1 1 45 45 LYS N N 15 128.848 0.085 . 1 . . . . 45 K N . 18197 1 493 . 1 1 46 46 GLU H H 1 8.894 0.023 . 1 . . . . 46 E H . 18197 1 494 . 1 1 46 46 GLU HA H 1 4.133 0.002 . 1 . . . . 46 E HA . 18197 1 495 . 1 1 46 46 GLU HB2 H 1 2.163 0.004 . 2 . . . . 46 E QB . 18197 1 496 . 1 1 46 46 GLU HB3 H 1 2.163 0.004 . 2 . . . . 46 E QB . 18197 1 497 . 1 1 46 46 GLU HG2 H 1 2.423 0.023 . 2 . . . . 46 E QG . 18197 1 498 . 1 1 46 46 GLU HG3 H 1 2.423 0.023 . 2 . . . . 46 E QG . 18197 1 499 . 1 1 46 46 GLU C C 13 176.601 0.006 . 1 . . . . 46 E C . 18197 1 500 . 1 1 46 46 GLU CA C 13 60.371 0.043 . 1 . . . . 46 E CA . 18197 1 501 . 1 1 46 46 GLU CB C 13 29.83 0.177 . 1 . . . . 46 E CB . 18197 1 502 . 1 1 46 46 GLU CG C 13 36.025 0.009 . 1 . . . . 46 E CG . 18197 1 503 . 1 1 46 46 GLU N N 15 126.953 0.056 . 1 . . . . 46 E N . 18197 1 504 . 1 1 47 47 VAL H H 1 7.665 0.023 . 1 . . . . 47 V H . 18197 1 505 . 1 1 47 47 VAL HA H 1 5.18 0.001 . 1 . . . . 47 V HA . 18197 1 506 . 1 1 47 47 VAL HB H 1 2.04 0.001 . 1 . . . . 47 V HB . 18197 1 507 . 1 1 47 47 VAL HG11 H 1 0.906 0.021 . 2 . . . . 47 V MG1 . 18197 1 508 . 1 1 47 47 VAL HG12 H 1 0.906 0.021 . 2 . . . . 47 V MG1 . 18197 1 509 . 1 1 47 47 VAL HG13 H 1 0.906 0.021 . 2 . . . . 47 V MG1 . 18197 1 510 . 1 1 47 47 VAL HG21 H 1 0.849 0.023 . 2 . . . . 47 V MG2 . 18197 1 511 . 1 1 47 47 VAL HG22 H 1 0.849 0.023 . 2 . . . . 47 V MG2 . 18197 1 512 . 1 1 47 47 VAL HG23 H 1 0.849 0.023 . 2 . . . . 47 V MG2 . 18197 1 513 . 1 1 47 47 VAL C C 13 173.711 0.013 . 1 . . . . 47 V C . 18197 1 514 . 1 1 47 47 VAL CA C 13 60.502 0.024 . 1 . . . . 47 V CA . 18197 1 515 . 1 1 47 47 VAL CB C 13 34.634 0.032 . 1 . . . . 47 V CB . 18197 1 516 . 1 1 47 47 VAL CG1 C 13 22.315 0.176 . 2 . . . . 47 V CG1 . 18197 1 517 . 1 1 47 47 VAL CG2 C 13 19.967 0.152 . 2 . . . . 47 V CG2 . 18197 1 518 . 1 1 47 47 VAL N N 15 116.01 0.072 . 1 . . . . 47 V N . 18197 1 519 . 1 1 48 48 ASN H H 1 8.601 0.026 . 1 . . . . 48 N H . 18197 1 520 . 1 1 48 48 ASN HA H 1 4.83 0.002 . 1 . . . . 48 N HA . 18197 1 521 . 1 1 48 48 ASN HB2 H 1 2.323 0.004 . 2 . . . . 48 N HB2 . 18197 1 522 . 1 1 48 48 ASN HB3 H 1 1.94 0.003 . 2 . . . . 48 N HB3 . 18197 1 523 . 1 1 48 48 ASN C C 13 174.359 0.011 . 1 . . . . 48 N C . 18197 1 524 . 1 1 48 48 ASN CA C 13 54.464 0.098 . 1 . . . . 48 N CA . 18197 1 525 . 1 1 48 48 ASN CB C 13 45.042 0.017 . 1 . . . . 48 N CB . 18197 1 526 . 1 1 48 48 ASN N N 15 122.997 0.043 . 1 . . . . 48 N N . 18197 1 527 . 1 1 49 49 THR H H 1 10.443 0.021 . 1 . . . . 49 T H . 18197 1 528 . 1 1 49 49 THR HA H 1 4.845 0.001 . 1 . . . . 49 T HA . 18197 1 529 . 1 1 49 49 THR HB H 1 3.182 0.003 . 1 . . . . 49 T HB . 18197 1 530 . 1 1 49 49 THR HG21 H 1 0.686 0.013 . 1 . . . . 49 T MG . 18197 1 531 . 1 1 49 49 THR HG22 H 1 0.686 0.013 . 1 . . . . 49 T MG . 18197 1 532 . 1 1 49 49 THR HG23 H 1 0.686 0.013 . 1 . . . . 49 T MG . 18197 1 533 . 1 1 49 49 THR C C 13 173.325 0.018 . 1 . . . . 49 T C . 18197 1 534 . 1 1 49 49 THR CA C 13 63.011 0.067 . 1 . . . . 49 T CA . 18197 1 535 . 1 1 49 49 THR CB C 13 67.967 0.145 . 1 . . . . 49 T CB . 18197 1 536 . 1 1 49 49 THR CG2 C 13 23.053 0.176 . 1 . . . . 49 T CG2 . 18197 1 537 . 1 1 49 49 THR N N 15 129.26 0.057 . 1 . . . . 49 T N . 18197 1 538 . 1 1 50 50 PHE H H 1 9.189 0.025 . 1 . . . . 50 F H . 18197 1 539 . 1 1 50 50 PHE HA H 1 4.253 0.002 . 1 . . . . 50 F HA . 18197 1 540 . 1 1 50 50 PHE HB2 H 1 2.871 0.004 . 2 . . . . 50 F HB2 . 18197 1 541 . 1 1 50 50 PHE HB3 H 1 2.499 0.021 . 2 . . . . 50 F HB3 . 18197 1 542 . 1 1 50 50 PHE C C 13 172.47 0.013 . 1 . . . . 50 F C . 18197 1 543 . 1 1 50 50 PHE CA C 13 57.786 0.095 . 1 . . . . 50 F CA . 18197 1 544 . 1 1 50 50 PHE CB C 13 42.099 0.015 . 1 . . . . 50 F CB . 18197 1 545 . 1 1 50 50 PHE N N 15 125.716 0.059 . 1 . . . . 50 F N . 18197 1 546 . 1 1 51 51 ILE H H 1 8.834 0.024 . 1 . . . . 51 I H . 18197 1 547 . 1 1 51 51 ILE HA H 1 4.118 0.001 . 1 . . . . 51 I HA . 18197 1 548 . 1 1 51 51 ILE HB H 1 1.653 0.002 . 1 . . . . 51 I HB . 18197 1 549 . 1 1 51 51 ILE HG12 H 1 1.601 0.001 . 1 . . . . 51 I QG1 . 18197 1 550 . 1 1 51 51 ILE HG13 H 1 1.601 0.001 . 1 . . . . 51 I QG1 . 18197 1 551 . 1 1 51 51 ILE HG21 H 1 0.969 0.003 . 1 . . . . 51 I MG . 18197 1 552 . 1 1 51 51 ILE HG22 H 1 0.969 0.003 . 1 . . . . 51 I MG . 18197 1 553 . 1 1 51 51 ILE HG23 H 1 0.969 0.003 . 1 . . . . 51 I MG . 18197 1 554 . 1 1 51 51 ILE HD11 H 1 0.76 0.012 . 1 . . . . 51 I MD . 18197 1 555 . 1 1 51 51 ILE HD12 H 1 0.76 0.012 . 1 . . . . 51 I MD . 18197 1 556 . 1 1 51 51 ILE HD13 H 1 0.76 0.012 . 1 . . . . 51 I MD . 18197 1 557 . 1 1 51 51 ILE C C 13 174.132 0.022 . 1 . . . . 51 I C . 18197 1 558 . 1 1 51 51 ILE CA C 13 60.603 0.035 . 1 . . . . 51 I CA . 18197 1 559 . 1 1 51 51 ILE CB C 13 40.446 0.158 . 1 . . . . 51 I CB . 18197 1 560 . 1 1 51 51 ILE CG1 C 13 27.614 0.059 . 1 . . . . 51 I CG1 . 18197 1 561 . 1 1 51 51 ILE CG2 C 13 19.03 0.001 . 1 . . . . 51 I CG2 . 18197 1 562 . 1 1 51 51 ILE CD1 C 13 14.691 0.003 . 1 . . . . 51 I CD1 . 18197 1 563 . 1 1 51 51 ILE N N 15 122.147 0.054 . 1 . . . . 51 I N . 18197 1 564 . 1 1 52 52 HIS H H 1 8.407 0.024 . 1 . . . . 52 H H . 18197 1 565 . 1 1 52 52 HIS HA H 1 5.62 0.001 . 1 . . . . 52 H HA . 18197 1 566 . 1 1 52 52 HIS HB2 H 1 3.028 0.001 . 2 . . . . 52 H QB . 18197 1 567 . 1 1 52 52 HIS HB3 H 1 3.028 0.003 . 2 . . . . 52 H QB . 18197 1 568 . 1 1 52 52 HIS C C 13 175.457 0.009 . 1 . . . . 52 H C . 18197 1 569 . 1 1 52 52 HIS CA C 13 52.49 0.118 . 1 . . . . 52 H CA . 18197 1 570 . 1 1 52 52 HIS CB C 13 30.37 0.038 . 1 . . . . 52 H CB . 18197 1 571 . 1 1 52 52 HIS N N 15 124.778 0.095 . 1 . . . . 52 H N . 18197 1 572 . 1 1 53 53 GLY H H 1 8.517 0.025 . 1 . . . . 53 G H . 18197 1 573 . 1 1 53 53 GLY HA2 H 1 4.78 0.001 . 1 . . . . 53 G HA2 . 18197 1 574 . 1 1 53 53 GLY HA3 H 1 3.974 0.003 . 1 . . . . 53 G HA3 . 18197 1 575 . 1 1 53 53 GLY C C 13 173.299 0.015 . 1 . . . . 53 G C . 18197 1 576 . 1 1 53 53 GLY CA C 13 44.461 0.011 . 1 . . . . 53 G CA . 18197 1 577 . 1 1 53 53 GLY N N 15 107.845 0.067 . 1 . . . . 53 G N . 18197 1 578 . 1 1 54 54 ASN H H 1 9.011 0.029 . 1 . . . . 54 N H . 18197 1 579 . 1 1 54 54 ASN HA H 1 4.893 0.024 . 1 . . . . 54 N HA . 18197 1 580 . 1 1 54 54 ASN HB2 H 1 2.982 0.001 . 2 . . . . 54 N QB . 18197 1 581 . 1 1 54 54 ASN HB3 H 1 2.982 0.001 . 2 . . . . 54 N QB . 18197 1 582 . 1 1 54 54 ASN HD21 H 1 7.807 0.042 . 2 . . . . 54 N HD21 . 18197 1 583 . 1 1 54 54 ASN HD22 H 1 7.128 0.041 . 2 . . . . 54 N HD22 . 18197 1 584 . 1 1 54 54 ASN C C 13 176.313 0.008 . 1 . . . . 54 N C . 18197 1 585 . 1 1 54 54 ASN CA C 13 53.779 0.049 . 1 . . . . 54 N CA . 18197 1 586 . 1 1 54 54 ASN CB C 13 39.954 0.046 . 1 . . . . 54 N CB . 18197 1 587 . 1 1 54 54 ASN N N 15 122.147 0.065 . 1 . . . . 54 N N . 18197 1 588 . 1 1 54 54 ASN ND2 N 15 114.414 0.211 . 1 . . . . 54 N ND2 . 18197 1 589 . 1 1 55 55 LYS H H 1 8.962 0.025 . 1 . . . . 55 K H . 18197 1 590 . 1 1 55 55 LYS HA H 1 3.485 0.001 . 1 . . . . 55 K HA . 18197 1 591 . 1 1 55 55 LYS HB2 H 1 1.832 0.002 . 2 . . . . 55 K HB2 . 18197 1 592 . 1 1 55 55 LYS HB3 H 1 1.577 0.001 . 2 . . . . 55 K HB3 . 18197 1 593 . 1 1 55 55 LYS HG2 H 1 1.143 0.040 . 2 . . . . 55 K HG2 . 18197 1 594 . 1 1 55 55 LYS HG3 H 1 0.977 0.040 . 2 . . . . 55 K HG3 . 18197 1 595 . 1 1 55 55 LYS HD2 H 1 1.648 0.006 . 2 . . . . 55 K QD . 18197 1 596 . 1 1 55 55 LYS HD3 H 1 1.648 0.006 . 2 . . . . 55 K QD . 18197 1 597 . 1 1 55 55 LYS HE2 H 1 2.974 0.002 . 2 . . . . 55 K QE . 18197 1 598 . 1 1 55 55 LYS HE3 H 1 2.974 0.002 . 2 . . . . 55 K QE . 18197 1 599 . 1 1 55 55 LYS C C 13 178.748 0.004 . 1 . . . . 55 K C . 18197 1 600 . 1 1 55 55 LYS CA C 13 60.514 0.014 . 1 . . . . 55 K CA . 18197 1 601 . 1 1 55 55 LYS CB C 13 32.151 0.009 . 1 . . . . 55 K CB . 18197 1 602 . 1 1 55 55 LYS CG C 13 24.437 0.063 . 1 . . . . 55 K CG . 18197 1 603 . 1 1 55 55 LYS CD C 13 30 0.102 . 1 . . . . 55 K CD . 18197 1 604 . 1 1 55 55 LYS CE C 13 42.053 0.022 . 1 . . . . 55 K CE . 18197 1 605 . 1 1 55 55 LYS N N 15 127.992 0.069 . 1 . . . . 55 K N . 18197 1 606 . 1 1 56 56 GLY H H 1 8.681 0.025 . 1 . . . . 56 G H . 18197 1 607 . 1 1 56 56 GLY HA2 H 1 4.015 0.001 . 1 . . . . 56 G HA2 . 18197 1 608 . 1 1 56 56 GLY HA3 H 1 3.769 0.001 . 1 . . . . 56 G HA3 . 18197 1 609 . 1 1 56 56 GLY C C 13 177.119 0.002 . 1 . . . . 56 G C . 18197 1 610 . 1 1 56 56 GLY CA C 13 47.235 0.016 . 1 . . . . 56 G CA . 18197 1 611 . 1 1 56 56 GLY N N 15 107.889 0.073 . 1 . . . . 56 G N . 18197 1 612 . 1 1 57 57 SER H H 1 7.924 0.028 . 1 . . . . 57 S H . 18197 1 613 . 1 1 57 57 SER HA H 1 4.362 0.001 . 1 . . . . 57 S HA . 18197 1 614 . 1 1 57 57 SER HB2 H 1 4.151 0.002 . 2 . . . . 57 S QB . 18197 1 615 . 1 1 57 57 SER HB3 H 1 4.151 0.001 . 2 . . . . 57 S QB . 18197 1 616 . 1 1 57 57 SER C C 13 175.537 0.001 . 1 . . . . 57 S C . 18197 1 617 . 1 1 57 57 SER CA C 13 61.54 0.087 . 1 . . . . 57 S CA . 18197 1 618 . 1 1 57 57 SER CB C 13 62.959 0.050 . 1 . . . . 57 S CB . 18197 1 619 . 1 1 57 57 SER N N 15 118.026 0.037 . 1 . . . . 57 S N . 18197 1 620 . 1 1 58 58 ILE H H 1 7.382 0.025 . 1 . . . . 58 I H . 18197 1 621 . 1 1 58 58 ILE HA H 1 3.652 0.002 . 1 . . . . 58 I HA . 18197 1 622 . 1 1 58 58 ILE HB H 1 1.865 0.001 . 1 . . . . 58 I HB . 18197 1 623 . 1 1 58 58 ILE HG12 H 1 1.7 0.016 . 1 . . . . 58 I QG1 . 18197 1 624 . 1 1 58 58 ILE HG13 H 1 1.7 0.016 . 1 . . . . 58 I QG1 . 18197 1 625 . 1 1 58 58 ILE HG21 H 1 0.746 0.001 . 1 . . . . 58 I MG . 18197 1 626 . 1 1 58 58 ILE HG22 H 1 0.746 0.001 . 1 . . . . 58 I MG . 18197 1 627 . 1 1 58 58 ILE HG23 H 1 0.746 0.001 . 1 . . . . 58 I MG . 18197 1 628 . 1 1 58 58 ILE HD11 H 1 0.497 0.027 . 1 . . . . 58 I MD . 18197 1 629 . 1 1 58 58 ILE HD12 H 1 0.497 0.027 . 1 . . . . 58 I MD . 18197 1 630 . 1 1 58 58 ILE HD13 H 1 0.497 0.027 . 1 . . . . 58 I MD . 18197 1 631 . 1 1 58 58 ILE C C 13 178.079 0.009 . 1 . . . . 58 I C . 18197 1 632 . 1 1 58 58 ILE CA C 13 64.233 0.076 . 1 . . . . 58 I CA . 18197 1 633 . 1 1 58 58 ILE CB C 13 37.823 0.046 . 1 . . . . 58 I CB . 18197 1 634 . 1 1 58 58 ILE CG1 C 13 29.411 0.013 . 1 . . . . 58 I CG1 . 18197 1 635 . 1 1 58 58 ILE CG2 C 13 17.331 0.002 . 1 . . . . 58 I CG2 . 18197 1 636 . 1 1 58 58 ILE CD1 C 13 15.926 0.005 . 1 . . . . 58 I CD1 . 18197 1 637 . 1 1 58 58 ILE N N 15 121.61 0.045 . 1 . . . . 58 I N . 18197 1 638 . 1 1 59 59 LYS H H 1 7.818 0.023 . 1 . . . . 59 K H . 18197 1 639 . 1 1 59 59 LYS HA H 1 3.525 0.001 . 1 . . . . 59 K HA . 18197 1 640 . 1 1 59 59 LYS HB2 H 1 1.862 0.001 . 2 . . . . 59 K HB2 . 18197 1 641 . 1 1 59 59 LYS HB3 H 1 1.792 0.001 . 2 . . . . 59 K HB3 . 18197 1 642 . 1 1 59 59 LYS HG2 H 1 1.371 0.004 . 2 . . . . 59 K HG2 . 18197 1 643 . 1 1 59 59 LYS HG3 H 1 1.262 0.015 . 2 . . . . 59 K HG3 . 18197 1 644 . 1 1 59 59 LYS HD2 H 1 1.567 0.002 . 2 . . . . 59 K QD . 18197 1 645 . 1 1 59 59 LYS HD3 H 1 1.567 0.002 . 2 . . . . 59 K QD . 18197 1 646 . 1 1 59 59 LYS HE2 H 1 2.756 0.004 . 2 . . . . 59 K QE . 18197 1 647 . 1 1 59 59 LYS HE3 H 1 2.756 0.004 . 2 . . . . 59 K QE . 18197 1 648 . 1 1 59 59 LYS C C 13 178.538 0.003 . 1 . . . . 59 K C . 18197 1 649 . 1 1 59 59 LYS CA C 13 60.3 0.040 . 1 . . . . 59 K CA . 18197 1 650 . 1 1 59 59 LYS CB C 13 31.774 0.016 . 1 . . . . 59 K CB . 18197 1 651 . 1 1 59 59 LYS CG C 13 25.221 0.054 . 1 . . . . 59 K CG . 18197 1 652 . 1 1 59 59 LYS CD C 13 30.095 0.024 . 1 . . . . 59 K CD . 18197 1 653 . 1 1 59 59 LYS CE C 13 41.972 0.063 . 1 . . . . 59 K CE . 18197 1 654 . 1 1 59 59 LYS N N 15 119.319 0.052 . 1 . . . . 59 K N . 18197 1 655 . 1 1 60 60 ALA H H 1 7.663 0.024 . 1 . . . . 60 A H . 18197 1 656 . 1 1 60 60 ALA HA H 1 4.208 0.022 . 1 . . . . 60 A HA . 18197 1 657 . 1 1 60 60 ALA HB1 H 1 1.548 0.022 . 1 . . . . 60 A QB . 18197 1 658 . 1 1 60 60 ALA HB2 H 1 1.548 0.022 . 1 . . . . 60 A QB . 18197 1 659 . 1 1 60 60 ALA HB3 H 1 1.548 0.022 . 1 . . . . 60 A QB . 18197 1 660 . 1 1 60 60 ALA C C 13 180.096 0.013 . 1 . . . . 60 A C . 18197 1 661 . 1 1 60 60 ALA CA C 13 53.939 0.030 . 1 . . . . 60 A CA . 18197 1 662 . 1 1 60 60 ALA CB C 13 18.28 0.017 . 1 . . . . 60 A CB . 18197 1 663 . 1 1 60 60 ALA N N 15 116.642 0.033 . 1 . . . . 60 A N . 18197 1 664 . 1 1 61 61 ILE H H 1 8.008 0.023 . 1 . . . . 61 I H . 18197 1 665 . 1 1 61 61 ILE HA H 1 3.265 0.001 . 1 . . . . 61 I HA . 18197 1 666 . 1 1 61 61 ILE HB H 1 1.746 0.001 . 1 . . . . 61 I HB . 18197 1 667 . 1 1 61 61 ILE HG12 H 1 0.959 0.024 . 1 . . . . 61 I QG1 . 18197 1 668 . 1 1 61 61 ILE HG13 H 1 0.959 0.024 . 1 . . . . 61 I QG1 . 18197 1 669 . 1 1 61 61 ILE HG21 H 1 0.543 0.001 . 1 . . . . 61 I MG . 18197 1 670 . 1 1 61 61 ILE HG22 H 1 0.543 0.001 . 1 . . . . 61 I MG . 18197 1 671 . 1 1 61 61 ILE HG23 H 1 0.543 0.001 . 1 . . . . 61 I MG . 18197 1 672 . 1 1 61 61 ILE HD11 H 1 0.63 0.002 . 1 . . . . 61 I MD . 18197 1 673 . 1 1 61 61 ILE HD12 H 1 0.63 0.002 . 1 . . . . 61 I MD . 18197 1 674 . 1 1 61 61 ILE HD13 H 1 0.63 0.002 . 1 . . . . 61 I MD . 18197 1 675 . 1 1 61 61 ILE C C 13 177.453 0.010 . 1 . . . . 61 I C . 18197 1 676 . 1 1 61 61 ILE CA C 13 64.982 0.012 . 1 . . . . 61 I CA . 18197 1 677 . 1 1 61 61 ILE CB C 13 37.487 0.034 . 1 . . . . 61 I CB . 18197 1 678 . 1 1 61 61 ILE CG1 C 13 28.465 0.025 . 1 . . . . 61 I CG1 . 18197 1 679 . 1 1 61 61 ILE CG2 C 13 17.698 0.023 . 1 . . . . 61 I CG2 . 18197 1 680 . 1 1 61 61 ILE CD1 C 13 14.524 0.035 . 1 . . . . 61 I CD1 . 18197 1 681 . 1 1 61 61 ILE N N 15 125.154 0.041 . 1 . . . . 61 I N . 18197 1 682 . 1 1 62 62 CYS H H 1 7.46 0.023 . 1 . . . . 62 C H . 18197 1 683 . 1 1 62 62 CYS HA H 1 4.189 0.024 . 1 . . . . 62 C HA . 18197 1 684 . 1 1 62 62 CYS HB2 H 1 2.777 0.001 . 2 . . . . 62 C QB . 18197 1 685 . 1 1 62 62 CYS HB3 H 1 2.777 0.001 . 2 . . . . 62 C QB . 18197 1 686 . 1 1 62 62 CYS C C 13 174.082 0.017 . 1 . . . . 62 C C . 18197 1 687 . 1 1 62 62 CYS CA C 13 53.943 0.052 . 1 . . . . 62 C CA . 18197 1 688 . 1 1 62 62 CYS CB C 13 38.136 0.020 . 1 . . . . 62 C CB . 18197 1 689 . 1 1 62 62 CYS N N 15 114.54 0.045 . 1 . . . . 62 C N . 18197 1 690 . 1 1 63 63 GLY H H 1 7.531 0.025 . 1 . . . . 63 G H . 18197 1 691 . 1 1 63 63 GLY HA2 H 1 4.256 0.035 . 1 . . . . 63 G HA2 . 18197 1 692 . 1 1 63 63 GLY HA3 H 1 3.489 0.035 . 1 . . . . 63 G HA3 . 18197 1 693 . 1 1 63 63 GLY C C 13 174.221 0.018 . 1 . . . . 63 G C . 18197 1 694 . 1 1 63 63 GLY CA C 13 45.239 0.032 . 1 . . . . 63 G CA . 18197 1 695 . 1 1 63 63 GLY N N 15 110.987 0.070 . 1 . . . . 63 G N . 18197 1 696 . 1 1 64 64 ALA H H 1 8.838 0.025 . 1 . . . . 64 A H . 18197 1 697 . 1 1 64 64 ALA HA H 1 4.197 0.017 . 1 . . . . 64 A HA . 18197 1 698 . 1 1 64 64 ALA HB1 H 1 1.431 0.052 . 1 . . . . 64 A QB . 18197 1 699 . 1 1 64 64 ALA HB2 H 1 1.431 0.052 . 1 . . . . 64 A QB . 18197 1 700 . 1 1 64 64 ALA HB3 H 1 1.431 0.052 . 1 . . . . 64 A QB . 18197 1 701 . 1 1 64 64 ALA C C 13 177.413 0.006 . 1 . . . . 64 A C . 18197 1 702 . 1 1 64 64 ALA CA C 13 54.665 0.085 . 1 . . . . 64 A CA . 18197 1 703 . 1 1 64 64 ALA CB C 13 18.887 0.033 . 1 . . . . 64 A CB . 18197 1 704 . 1 1 64 64 ALA N N 15 128.699 0.057 . 1 . . . . 64 A N . 18197 1 705 . 1 1 65 65 ASN H H 1 7.963 0.024 . 1 . . . . 65 N H . 18197 1 706 . 1 1 65 65 ASN HA H 1 5.166 0.018 . 1 . . . . 65 N HA . 18197 1 707 . 1 1 65 65 ASN HB2 H 1 2.754 0.025 . 2 . . . . 65 N HB2 . 18197 1 708 . 1 1 65 65 ASN HB3 H 1 2.343 0.017 . 2 . . . . 65 N HB3 . 18197 1 709 . 1 1 65 65 ASN HD21 H 1 7.474 0.040 . 2 . . . . 65 N HD21 . 18197 1 710 . 1 1 65 65 ASN HD22 H 1 6.924 0.038 . 2 . . . . 65 N HD22 . 18197 1 711 . 1 1 65 65 ASN C C 13 174.792 0.005 . 1 . . . . 65 N C . 18197 1 712 . 1 1 65 65 ASN CA C 13 51.8 0.034 . 1 . . . . 65 N CA . 18197 1 713 . 1 1 65 65 ASN CB C 13 39.074 0.018 . 1 . . . . 65 N CB . 18197 1 714 . 1 1 65 65 ASN N N 15 113.742 0.021 . 1 . . . . 65 N N . 18197 1 715 . 1 1 65 65 ASN ND2 N 15 109.33 0.143 . 1 . . . . 65 N ND2 . 18197 1 716 . 1 1 66 66 GLY H H 1 7.767 0.023 . 1 . . . . 66 G H . 18197 1 717 . 1 1 66 66 GLY HA2 H 1 5.1 0.025 . 1 . . . . 66 G HA2 . 18197 1 718 . 1 1 66 66 GLY HA3 H 1 4.364 0.014 . 1 . . . . 66 G HA3 . 18197 1 719 . 1 1 66 66 GLY C C 13 171.657 0.011 . 1 . . . . 66 G C . 18197 1 720 . 1 1 66 66 GLY CA C 13 44.938 0.010 . 1 . . . . 66 G CA . 18197 1 721 . 1 1 66 66 GLY N N 15 109.89 0.075 . 1 . . . . 66 G N . 18197 1 722 . 1 1 67 67 SER H H 1 8.649 0.027 . 1 . . . . 67 S H . 18197 1 723 . 1 1 67 67 SER HA H 1 5.023 0.018 . 1 . . . . 67 S HA . 18197 1 724 . 1 1 67 67 SER HB2 H 1 3.875 0.004 . 2 . . . . 67 S HB2 . 18197 1 725 . 1 1 67 67 SER HB3 H 1 3.529 0.004 . 2 . . . . 67 S HB3 . 18197 1 726 . 1 1 67 67 SER C C 13 170.889 0.137 . 1 . . . . 67 S C . 18197 1 727 . 1 1 67 67 SER CA C 13 56.364 0.009 . 1 . . . . 67 S CA . 18197 1 728 . 1 1 67 67 SER CB C 13 64.572 0.007 . 1 . . . . 67 S CB . 18197 1 729 . 1 1 67 67 SER N N 15 113.443 0.048 . 1 . . . . 67 S N . 18197 1 730 . 1 1 68 68 PRO HA H 1 4.307 0.001 . 1 . . . . 68 P HA . 18197 1 731 . 1 1 68 68 PRO HB2 H 1 1.472 0.007 . 2 . . . . 68 P HB2 . 18197 1 732 . 1 1 68 68 PRO HB3 H 1 1.255 0.007 . 2 . . . . 68 P HB3 . 18197 1 733 . 1 1 68 68 PRO HG2 H 1 1.444 0.004 . 2 . . . . 68 P QG . 18197 1 734 . 1 1 68 68 PRO HG3 H 1 1.444 0.004 . 2 . . . . 68 P QG . 18197 1 735 . 1 1 68 68 PRO HD2 H 1 3.79 0.011 . 2 . . . . 68 P QD . 18197 1 736 . 1 1 68 68 PRO HD3 H 1 3.79 0.011 . 2 . . . . 68 P QD . 18197 1 737 . 1 1 68 68 PRO C C 13 177.672 0.006 . 1 . . . . 68 P C . 18197 1 738 . 1 1 68 68 PRO CA C 13 62.462 0.022 . 1 . . . . 68 P CA . 18197 1 739 . 1 1 68 68 PRO CB C 13 32.497 0.014 . 1 . . . . 68 P CB . 18197 1 740 . 1 1 68 68 PRO CG C 13 25.809 0.001 . 1 . . . . 68 P CG . 18197 1 741 . 1 1 68 68 PRO CD C 13 42.489 0.109 . 1 . . . . 68 P CD . 18197 1 742 . 1 1 69 69 TYR H H 1 8.1 0.023 . 1 . . . . 69 Y H . 18197 1 743 . 1 1 69 69 TYR HA H 1 4.143 0.006 . 1 . . . . 69 Y HA . 18197 1 744 . 1 1 69 69 TYR HB2 H 1 1.75 0.001 . 2 . . . . 69 Y QB . 18197 1 745 . 1 1 69 69 TYR HB3 H 1 1.75 0.002 . 2 . . . . 69 Y QB . 18197 1 746 . 1 1 69 69 TYR C C 13 176.332 0.011 . 1 . . . . 69 Y C . 18197 1 747 . 1 1 69 69 TYR CA C 13 56.06 0.044 . 1 . . . . 69 Y CA . 18197 1 748 . 1 1 69 69 TYR CB C 13 32.621 0.155 . 1 . . . . 69 Y CB . 18197 1 749 . 1 1 69 69 TYR N N 15 121.599 0.041 . 1 . . . . 69 Y N . 18197 1 750 . 1 1 70 70 GLY H H 1 7.671 0.027 . 1 . . . . 70 G H . 18197 1 751 . 1 1 70 70 GLY HA2 H 1 3.623 0.006 . 1 . . . . 70 G HA2 . 18197 1 752 . 1 1 70 70 GLY HA3 H 1 3.406 0.005 . 1 . . . . 70 G HA3 . 18197 1 753 . 1 1 70 70 GLY C C 13 173.945 0.017 . 1 . . . . 70 G C . 18197 1 754 . 1 1 70 70 GLY CA C 13 45.261 0.051 . 1 . . . . 70 G CA . 18197 1 755 . 1 1 70 70 GLY N N 15 109.971 0.078 . 1 . . . . 70 G N . 18197 1 756 . 1 1 71 71 GLU H H 1 8.566 0.026 . 1 . . . . 71 E H . 18197 1 757 . 1 1 71 71 GLU HA H 1 4.158 0.004 . 1 . . . . 71 E HA . 18197 1 758 . 1 1 71 71 GLU HB2 H 1 1.909 0.003 . 2 . . . . 71 E HB2 . 18197 1 759 . 1 1 71 71 GLU HB3 H 1 1.88 0.011 . 2 . . . . 71 E HB3 . 18197 1 760 . 1 1 71 71 GLU HG2 H 1 2.161 0.004 . 2 . . . . 71 E QG . 18197 1 761 . 1 1 71 71 GLU HG3 H 1 2.161 0.007 . 2 . . . . 71 E QG . 18197 1 762 . 1 1 71 71 GLU C C 13 176.662 0.004 . 1 . . . . 71 E C . 18197 1 763 . 1 1 71 71 GLU CA C 13 57.187 0.095 . 1 . . . . 71 E CA . 18197 1 764 . 1 1 71 71 GLU CB C 13 28.954 0.045 . 1 . . . . 71 E CB . 18197 1 765 . 1 1 71 71 GLU CG C 13 36.315 0.047 . 1 . . . . 71 E CG . 18197 1 766 . 1 1 71 71 GLU N N 15 122.265 0.065 . 1 . . . . 71 E N . 18197 1 767 . 1 1 72 72 ASN H H 1 8.27 0.024 . 1 . . . . 72 N H . 18197 1 768 . 1 1 72 72 ASN HA H 1 4.711 0.001 . 1 . . . . 72 N HA . 18197 1 769 . 1 1 72 72 ASN HB2 H 1 2.913 0.007 . 2 . . . . 72 N QB . 18197 1 770 . 1 1 72 72 ASN HB3 H 1 2.913 0.002 . 2 . . . . 72 N QB . 18197 1 771 . 1 1 72 72 ASN HD21 H 1 7.526 0.042 . 2 . . . . 72 N HD21 . 18197 1 772 . 1 1 72 72 ASN HD22 H 1 6.834 0.041 . 2 . . . . 72 N HD22 . 18197 1 773 . 1 1 72 72 ASN C C 13 174.705 0.005 . 1 . . . . 72 N C . 18197 1 774 . 1 1 72 72 ASN CA C 13 53.977 0.032 . 1 . . . . 72 N CA . 18197 1 775 . 1 1 72 72 ASN CB C 13 38.295 0.050 . 1 . . . . 72 N CB . 18197 1 776 . 1 1 72 72 ASN N N 15 116.188 0.030 . 1 . . . . 72 N N . 18197 1 777 . 1 1 72 72 ASN ND2 N 15 112.627 0.200 . 1 . . . . 72 N ND2 . 18197 1 778 . 1 1 73 73 LEU H H 1 7.681 0.023 . 1 . . . . 73 L H . 18197 1 779 . 1 1 73 73 LEU HA H 1 5.002 0.001 . 1 . . . . 73 L HA . 18197 1 780 . 1 1 73 73 LEU HB2 H 1 2.016 0.007 . 2 . . . . 73 L HB2 . 18197 1 781 . 1 1 73 73 LEU HB3 H 1 1.411 0.002 . 2 . . . . 73 L HB3 . 18197 1 782 . 1 1 73 73 LEU HG H 1 0.869 0.004 . 1 . . . . 73 L HG . 18197 1 783 . 1 1 73 73 LEU HD11 H 1 0.87 0.001 . 2 . . . . 73 L MD1 . 18197 1 784 . 1 1 73 73 LEU HD12 H 1 0.87 0.001 . 2 . . . . 73 L MD1 . 18197 1 785 . 1 1 73 73 LEU HD13 H 1 0.87 0.001 . 2 . . . . 73 L MD1 . 18197 1 786 . 1 1 73 73 LEU HD21 H 1 0.747 0.002 . 2 . . . . 73 L MD2 . 18197 1 787 . 1 1 73 73 LEU HD22 H 1 0.747 0.002 . 2 . . . . 73 L MD2 . 18197 1 788 . 1 1 73 73 LEU HD23 H 1 0.747 0.002 . 2 . . . . 73 L MD2 . 18197 1 789 . 1 1 73 73 LEU C C 13 177.065 0.004 . 1 . . . . 73 L C . 18197 1 790 . 1 1 73 73 LEU CA C 13 53.974 0.032 . 1 . . . . 73 L CA . 18197 1 791 . 1 1 73 73 LEU CB C 13 44.4 0.059 . 1 . . . . 73 L CB . 18197 1 792 . 1 1 73 73 LEU CG C 13 26.166 0.006 . 1 . . . . 73 L CG . 18197 1 793 . 1 1 73 73 LEU CD1 C 13 26.93 0.001 . 2 . . . . 73 L CD1 . 18197 1 794 . 1 1 73 73 LEU CD2 C 13 23.438 0.004 . 2 . . . . 73 L CD2 . 18197 1 795 . 1 1 73 73 LEU N N 15 118.953 0.052 . 1 . . . . 73 L N . 18197 1 796 . 1 1 74 74 ARG H H 1 9.195 0.023 . 1 . . . . 74 R H . 18197 1 797 . 1 1 74 74 ARG HA H 1 5.003 0.006 . 1 . . . . 74 R HA . 18197 1 798 . 1 1 74 74 ARG HB2 H 1 1.494 0.001 . 2 . . . . 74 R HB2 . 18197 1 799 . 1 1 74 74 ARG HB3 H 1 1.284 0.001 . 2 . . . . 74 R HB3 . 18197 1 800 . 1 1 74 74 ARG HG2 H 1 1.619 0.001 . 2 . . . . 74 R HG2 . 18197 1 801 . 1 1 74 74 ARG HG3 H 1 1.44 0.002 . 2 . . . . 74 R HG3 . 18197 1 802 . 1 1 74 74 ARG HD2 H 1 3.096 0.002 . 2 . . . . 74 R QD . 18197 1 803 . 1 1 74 74 ARG HD3 H 1 3.096 0.002 . 2 . . . . 74 R QD . 18197 1 804 . 1 1 74 74 ARG C C 13 173.217 0.009 . 1 . . . . 74 R C . 18197 1 805 . 1 1 74 74 ARG CA C 13 54.222 0.160 . 1 . . . . 74 R CA . 18197 1 806 . 1 1 74 74 ARG CB C 13 33.889 0.142 . 1 . . . . 74 R CB . 18197 1 807 . 1 1 74 74 ARG CG C 13 26.315 0.176 . 1 . . . . 74 R CG . 18197 1 808 . 1 1 74 74 ARG CD C 13 44.545 0.054 . 1 . . . . 74 R CD . 18197 1 809 . 1 1 74 74 ARG N N 15 121.517 0.064 . 1 . . . . 74 R N . 18197 1 810 . 1 1 75 75 ILE H H 1 8.969 0.023 . 1 . . . . 75 I H . 18197 1 811 . 1 1 75 75 ILE HA H 1 5.077 0.001 . 1 . . . . 75 I HA . 18197 1 812 . 1 1 75 75 ILE HB H 1 0.879 0.002 . 1 . . . . 75 I HB . 18197 1 813 . 1 1 75 75 ILE HG12 H 1 0.968 0.006 . 1 . . . . 75 I QG1 . 18197 1 814 . 1 1 75 75 ILE HG13 H 1 0.968 0.006 . 1 . . . . 75 I QG1 . 18197 1 815 . 1 1 75 75 ILE HG21 H 1 0.733 0.001 . 1 . . . . 75 I MG . 18197 1 816 . 1 1 75 75 ILE HG22 H 1 0.733 0.001 . 1 . . . . 75 I MG . 18197 1 817 . 1 1 75 75 ILE HG23 H 1 0.733 0.001 . 1 . . . . 75 I MG . 18197 1 818 . 1 1 75 75 ILE HD11 H 1 0.298 0.002 . 1 . . . . 75 I MD . 18197 1 819 . 1 1 75 75 ILE HD12 H 1 0.298 0.002 . 1 . . . . 75 I MD . 18197 1 820 . 1 1 75 75 ILE HD13 H 1 0.298 0.002 . 1 . . . . 75 I MD . 18197 1 821 . 1 1 75 75 ILE C C 13 174.912 0.028 . 1 . . . . 75 I C . 18197 1 822 . 1 1 75 75 ILE CA C 13 56.995 0.077 . 1 . . . . 75 I CA . 18197 1 823 . 1 1 75 75 ILE CB C 13 40.838 0.036 . 1 . . . . 75 I CB . 18197 1 824 . 1 1 75 75 ILE CG1 C 13 28.414 0.005 . 1 . . . . 75 I CG1 . 18197 1 825 . 1 1 75 75 ILE CG2 C 13 14.929 0.067 . 1 . . . . 75 I CG2 . 18197 1 826 . 1 1 75 75 ILE CD1 C 13 14.662 0.060 . 1 . . . . 75 I CD1 . 18197 1 827 . 1 1 75 75 ILE N N 15 120.256 0.054 . 1 . . . . 75 I N . 18197 1 828 . 1 1 76 76 SER H H 1 9.019 0.026 . 1 . . . . 76 S H . 18197 1 829 . 1 1 76 76 SER HA H 1 4.468 0.002 . 1 . . . . 76 S HA . 18197 1 830 . 1 1 76 76 SER HB2 H 1 4 0.003 . 2 . . . . 76 S QB . 18197 1 831 . 1 1 76 76 SER HB3 H 1 4 0.003 . 2 . . . . 76 S QB . 18197 1 832 . 1 1 76 76 SER C C 13 176.33 0.002 . 1 . . . . 76 S C . 18197 1 833 . 1 1 76 76 SER CA C 13 59.266 0.100 . 1 . . . . 76 S CA . 18197 1 834 . 1 1 76 76 SER CB C 13 65.266 0.013 . 1 . . . . 76 S CB . 18197 1 835 . 1 1 76 76 SER N N 15 122.023 0.053 . 1 . . . . 76 S N . 18197 1 836 . 1 1 77 77 GLN H H 1 8.349 0.031 . 1 . . . . 77 Q H . 18197 1 837 . 1 1 77 77 GLN HA H 1 4.271 0.004 . 1 . . . . 77 Q HA . 18197 1 838 . 1 1 77 77 GLN HB2 H 1 2.173 0.003 . 2 . . . . 77 Q HB2 . 18197 1 839 . 1 1 77 77 GLN HB3 H 1 1.893 0.001 . 2 . . . . 77 Q HB3 . 18197 1 840 . 1 1 77 77 GLN HG2 H 1 2.514 0.007 . 2 . . . . 77 Q HG2 . 18197 1 841 . 1 1 77 77 GLN HG3 H 1 2.229 0.007 . 2 . . . . 77 Q HG3 . 18197 1 842 . 1 1 77 77 GLN HE21 H 1 7.398 0.042 . 2 . . . . 77 Q HE21 . 18197 1 843 . 1 1 77 77 GLN HE22 H 1 7.046 0.045 . 2 . . . . 77 Q HE22 . 18197 1 844 . 1 1 77 77 GLN C C 13 176.643 0.011 . 1 . . . . 77 Q C . 18197 1 845 . 1 1 77 77 GLN CA C 13 58.234 0.048 . 1 . . . . 77 Q CA . 18197 1 846 . 1 1 77 77 GLN CB C 13 28.658 0.121 . 1 . . . . 77 Q CB . 18197 1 847 . 1 1 77 77 GLN CG C 13 34.579 0.186 . 1 . . . . 77 Q CG . 18197 1 848 . 1 1 77 77 GLN N N 15 122.979 0.053 . 1 . . . . 77 Q N . 18197 1 849 . 1 1 77 77 GLN NE2 N 15 111.098 0.222 . 1 . . . . 77 Q NE2 . 18197 1 850 . 1 1 78 78 SER H H 1 8.184 0.023 . 1 . . . . 78 S H . 18197 1 851 . 1 1 78 78 SER HA H 1 4.877 0.002 . 1 . . . . 78 S HA . 18197 1 852 . 1 1 78 78 SER HB2 H 1 3.696 0.001 . 2 . . . . 78 S HB2 . 18197 1 853 . 1 1 78 78 SER HB3 H 1 3.521 0.002 . 2 . . . . 78 S HB3 . 18197 1 854 . 1 1 78 78 SER C C 13 171.06 0.001 . 1 . . . . 78 S C . 18197 1 855 . 1 1 78 78 SER CA C 13 55.863 0.022 . 1 . . . . 78 S CA . 18197 1 856 . 1 1 78 78 SER CB C 13 64.147 0.025 . 1 . . . . 78 S CB . 18197 1 857 . 1 1 78 78 SER N N 15 113.286 0.046 . 1 . . . . 78 S N . 18197 1 858 . 1 1 79 79 PRO HA H 1 3.513 0.004 . 1 . . . . 79 P HA . 18197 1 859 . 1 1 79 79 PRO HB2 H 1 0.785 0.003 . 2 . . . . 79 P QB . 18197 1 860 . 1 1 79 79 PRO HB3 H 1 0.785 0.003 . 2 . . . . 79 P QB . 18197 1 861 . 1 1 79 79 PRO HG2 H 1 1.343 0.001 . 2 . . . . 79 P HG2 . 18197 1 862 . 1 1 79 79 PRO HG3 H 1 1.121 0.005 . 2 . . . . 79 P HG3 . 18197 1 863 . 1 1 79 79 PRO HD2 H 1 3.325 0.002 . 2 . . . . 79 P QD . 18197 1 864 . 1 1 79 79 PRO HD3 H 1 3.325 0.002 . 2 . . . . 79 P QD . 18197 1 865 . 1 1 79 79 PRO C C 13 173.937 0.010 . 1 . . . . 79 P C . 18197 1 866 . 1 1 79 79 PRO CA C 13 61.263 0.041 . 1 . . . . 79 P CA . 18197 1 867 . 1 1 79 79 PRO CB C 13 29.685 0.140 . 1 . . . . 79 P CB . 18197 1 868 . 1 1 79 79 PRO CG C 13 27.444 0.008 . 1 . . . . 79 P CG . 18197 1 869 . 1 1 79 79 PRO CD C 13 50.31 0.005 . 1 . . . . 79 P CD . 18197 1 870 . 1 1 80 80 PHE H H 1 8.344 0.025 . 1 . . . . 80 F H . 18197 1 871 . 1 1 80 80 PHE HA H 1 4.54 0.003 . 1 . . . . 80 F HA . 18197 1 872 . 1 1 80 80 PHE HB2 H 1 3.044 0.006 . 2 . . . . 80 F HB2 . 18197 1 873 . 1 1 80 80 PHE HB3 H 1 2.64 0.002 . 2 . . . . 80 F HB3 . 18197 1 874 . 1 1 80 80 PHE C C 13 176.19 0.007 . 1 . . . . 80 F C . 18197 1 875 . 1 1 80 80 PHE CA C 13 57.41 0.149 . 1 . . . . 80 F CA . 18197 1 876 . 1 1 80 80 PHE CB C 13 43.354 0.035 . 1 . . . . 80 F CB . 18197 1 877 . 1 1 80 80 PHE N N 15 118.502 0.097 . 1 . . . . 80 F N . 18197 1 878 . 1 1 81 81 GLN H H 1 9.271 0.024 . 1 . . . . 81 Q H . 18197 1 879 . 1 1 81 81 GLN HA H 1 5.033 0.004 . 1 . . . . 81 Q HA . 18197 1 880 . 1 1 81 81 GLN HB2 H 1 2.17 0.005 . 2 . . . . 81 Q QB . 18197 1 881 . 1 1 81 81 GLN HB3 H 1 2.17 0.005 . 2 . . . . 81 Q QB . 18197 1 882 . 1 1 81 81 GLN HG2 H 1 2.645 0.007 . 2 . . . . 81 Q HG2 . 18197 1 883 . 1 1 81 81 GLN HG3 H 1 2.541 0.002 . 2 . . . . 81 Q HG3 . 18197 1 884 . 1 1 81 81 GLN HE21 H 1 7.013 0.041 . 2 . . . . 81 Q HE21 . 18197 1 885 . 1 1 81 81 GLN HE22 H 1 6.62 0.040 . 2 . . . . 81 Q HE22 . 18197 1 886 . 1 1 81 81 GLN C C 13 174.886 0.005 . 1 . . . . 81 Q C . 18197 1 887 . 1 1 81 81 GLN CA C 13 56.448 0.099 . 1 . . . . 81 Q CA . 18197 1 888 . 1 1 81 81 GLN CB C 13 28.121 0.146 . 1 . . . . 81 Q CB . 18197 1 889 . 1 1 81 81 GLN CG C 13 32.609 0.172 . 1 . . . . 81 Q CG . 18197 1 890 . 1 1 81 81 GLN N N 15 120.257 0.056 . 1 . . . . 81 Q N . 18197 1 891 . 1 1 81 81 GLN NE2 N 15 112.136 0.189 . 1 . . . . 81 Q NE2 . 18197 1 892 . 1 1 82 82 ILE H H 1 8.748 0.024 . 1 . . . . 82 I H . 18197 1 893 . 1 1 82 82 ILE HA H 1 5.304 0.001 . 1 . . . . 82 I HA . 18197 1 894 . 1 1 82 82 ILE HB H 1 1.64 0.002 . 1 . . . . 82 I HB . 18197 1 895 . 1 1 82 82 ILE HG12 H 1 1.428 0.016 . 1 . . . . 82 I QG1 . 18197 1 896 . 1 1 82 82 ILE HG13 H 1 1.428 0.016 . 1 . . . . 82 I QG1 . 18197 1 897 . 1 1 82 82 ILE HG21 H 1 0.831 0.002 . 1 . . . . 82 I MG . 18197 1 898 . 1 1 82 82 ILE HG22 H 1 0.831 0.002 . 1 . . . . 82 I MG . 18197 1 899 . 1 1 82 82 ILE HG23 H 1 0.831 0.002 . 1 . . . . 82 I MG . 18197 1 900 . 1 1 82 82 ILE HD11 H 1 0.816 0.001 . 1 . . . . 82 I MD . 18197 1 901 . 1 1 82 82 ILE HD12 H 1 0.816 0.001 . 1 . . . . 82 I MD . 18197 1 902 . 1 1 82 82 ILE HD13 H 1 0.816 0.001 . 1 . . . . 82 I MD . 18197 1 903 . 1 1 82 82 ILE C C 13 177.502 0.003 . 1 . . . . 82 I C . 18197 1 904 . 1 1 82 82 ILE CA C 13 58.975 0.086 . 1 . . . . 82 I CA . 18197 1 905 . 1 1 82 82 ILE CB C 13 43.392 0.051 . 1 . . . . 82 I CB . 18197 1 906 . 1 1 82 82 ILE CG1 C 13 25.206 0.001 . 1 . . . . 82 I CG1 . 18197 1 907 . 1 1 82 82 ILE CG2 C 13 18.87 0.021 . 1 . . . . 82 I CG2 . 18197 1 908 . 1 1 82 82 ILE CD1 C 13 15.232 0.030 . 1 . . . . 82 I CD1 . 18197 1 909 . 1 1 82 82 ILE N N 15 115.98 0.037 . 1 . . . . 82 I N . 18197 1 910 . 1 1 83 83 THR H H 1 9.372 0.024 . 1 . . . . 83 T H . 18197 1 911 . 1 1 83 83 THR HA H 1 4.815 0.001 . 1 . . . . 83 T HA . 18197 1 912 . 1 1 83 83 THR HB H 1 4.244 0.002 . 1 . . . . 83 T HB . 18197 1 913 . 1 1 83 83 THR HG21 H 1 1.101 0.004 . 1 . . . . 83 T MG . 18197 1 914 . 1 1 83 83 THR HG22 H 1 1.101 0.004 . 1 . . . . 83 T MG . 18197 1 915 . 1 1 83 83 THR HG23 H 1 1.101 0.004 . 1 . . . . 83 T MG . 18197 1 916 . 1 1 83 83 THR C C 13 173.348 0.002 . 1 . . . . 83 T C . 18197 1 917 . 1 1 83 83 THR CA C 13 64.216 0.130 . 1 . . . . 83 T CA . 18197 1 918 . 1 1 83 83 THR CB C 13 70.424 0.101 . 1 . . . . 83 T CB . 18197 1 919 . 1 1 83 83 THR CG2 C 13 22.038 0.003 . 1 . . . . 83 T CG2 . 18197 1 920 . 1 1 83 83 THR N N 15 122.645 0.056 . 1 . . . . 83 T N . 18197 1 921 . 1 1 84 84 THR H H 1 9.091 0.025 . 1 . . . . 84 T H . 18197 1 922 . 1 1 84 84 THR HA H 1 4.673 0.002 . 1 . . . . 84 T HA . 18197 1 923 . 1 1 84 84 THR HB H 1 3.809 0.001 . 1 . . . . 84 T HB . 18197 1 924 . 1 1 84 84 THR HG21 H 1 1.102 0.007 . 1 . . . . 84 T MG . 18197 1 925 . 1 1 84 84 THR HG22 H 1 1.102 0.007 . 1 . . . . 84 T MG . 18197 1 926 . 1 1 84 84 THR HG23 H 1 1.102 0.007 . 1 . . . . 84 T MG . 18197 1 927 . 1 1 84 84 THR C C 13 173.614 0.015 . 1 . . . . 84 T C . 18197 1 928 . 1 1 84 84 THR CA C 13 63.335 0.125 . 1 . . . . 84 T CA . 18197 1 929 . 1 1 84 84 THR CB C 13 69.989 0.026 . 1 . . . . 84 T CB . 18197 1 930 . 1 1 84 84 THR CG2 C 13 22.946 0.132 . 1 . . . . 84 T CG2 . 18197 1 931 . 1 1 84 84 THR N N 15 125.789 0.114 . 1 . . . . 84 T N . 18197 1 932 . 1 1 85 85 CYS H H 1 8.916 0.025 . 1 . . . . 85 C H . 18197 1 933 . 1 1 85 85 CYS HA H 1 5.507 0.006 . 1 . . . . 85 C HA . 18197 1 934 . 1 1 85 85 CYS HB2 H 1 2.987 0.003 . 2 . . . . 85 C HB2 . 18197 1 935 . 1 1 85 85 CYS HB3 H 1 2.555 0.005 . 2 . . . . 85 C HB3 . 18197 1 936 . 1 1 85 85 CYS C C 13 173.232 0.008 . 1 . . . . 85 C C . 18197 1 937 . 1 1 85 85 CYS CA C 13 52.826 0.084 . 1 . . . . 85 C CA . 18197 1 938 . 1 1 85 85 CYS CB C 13 38.399 0.023 . 1 . . . . 85 C CB . 18197 1 939 . 1 1 85 85 CYS N N 15 127.947 0.035 . 1 . . . . 85 C N . 18197 1 940 . 1 1 86 86 LYS H H 1 9.35 0.024 . 1 . . . . 86 K H . 18197 1 941 . 1 1 86 86 LYS HA H 1 5.319 0.001 . 1 . . . . 86 K HA . 18197 1 942 . 1 1 86 86 LYS HB2 H 1 1.918 0.001 . 2 . . . . 86 K HB2 . 18197 1 943 . 1 1 86 86 LYS HB3 H 1 1.648 0.001 . 2 . . . . 86 K HB3 . 18197 1 944 . 1 1 86 86 LYS HG2 H 1 1.429 0.003 . 2 . . . . 86 K QG . 18197 1 945 . 1 1 86 86 LYS HG3 H 1 1.429 0.003 . 2 . . . . 86 K QG . 18197 1 946 . 1 1 86 86 LYS HD2 H 1 1.722 0.005 . 2 . . . . 86 K QD . 18197 1 947 . 1 1 86 86 LYS HD3 H 1 1.722 0.005 . 2 . . . . 86 K QD . 18197 1 948 . 1 1 86 86 LYS HE2 H 1 2.964 0.002 . 2 . . . . 86 K QE . 18197 1 949 . 1 1 86 86 LYS HE3 H 1 2.964 0.002 . 2 . . . . 86 K QE . 18197 1 950 . 1 1 86 86 LYS C C 13 175.234 0.007 . 1 . . . . 86 K C . 18197 1 951 . 1 1 86 86 LYS CA C 13 55.139 0.069 . 1 . . . . 86 K CA . 18197 1 952 . 1 1 86 86 LYS CB C 13 35.357 0.015 . 1 . . . . 86 K CB . 18197 1 953 . 1 1 86 86 LYS CG C 13 25.839 0.018 . 1 . . . . 86 K CG . 18197 1 954 . 1 1 86 86 LYS CD C 13 29.425 0.005 . 1 . . . . 86 K CD . 18197 1 955 . 1 1 86 86 LYS CE C 13 42.415 0.020 . 1 . . . . 86 K CE . 18197 1 956 . 1 1 86 86 LYS N N 15 125.174 0.060 . 1 . . . . 86 K N . 18197 1 957 . 1 1 87 87 HIS H H 1 9.542 0.022 . 1 . . . . 87 H H . 18197 1 958 . 1 1 87 87 HIS HA H 1 4.203 0.006 . 1 . . . . 87 H HA . 18197 1 959 . 1 1 87 87 HIS HB2 H 1 3.262 0.002 . 2 . . . . 87 H HB2 . 18197 1 960 . 1 1 87 87 HIS HB3 H 1 3.145 0.004 . 2 . . . . 87 H HB3 . 18197 1 961 . 1 1 87 87 HIS C C 13 175.075 0.021 . 1 . . . . 87 H C . 18197 1 962 . 1 1 87 87 HIS CA C 13 55.564 0.082 . 1 . . . . 87 H CA . 18197 1 963 . 1 1 87 87 HIS CB C 13 30.408 0.060 . 1 . . . . 87 H CB . 18197 1 964 . 1 1 87 87 HIS N N 15 128.965 0.083 . 1 . . . . 87 H N . 18197 1 965 . 1 1 88 88 THR H H 1 7.864 0.024 . 1 . . . . 88 T H . 18197 1 966 . 1 1 88 88 THR HA H 1 4.286 0.002 . 1 . . . . 88 T HA . 18197 1 967 . 1 1 88 88 THR HB H 1 3.965 0.003 . 1 . . . . 88 T HB . 18197 1 968 . 1 1 88 88 THR HG21 H 1 0.961 0.021 . 1 . . . . 88 T MG . 18197 1 969 . 1 1 88 88 THR HG22 H 1 0.961 0.021 . 1 . . . . 88 T MG . 18197 1 970 . 1 1 88 88 THR HG23 H 1 0.961 0.021 . 1 . . . . 88 T MG . 18197 1 971 . 1 1 88 88 THR C C 13 173.957 0.018 . 1 . . . . 88 T C . 18197 1 972 . 1 1 88 88 THR CA C 13 60.809 0.151 . 1 . . . . 88 T CA . 18197 1 973 . 1 1 88 88 THR CB C 13 69.76 0.028 . 1 . . . . 88 T CB . 18197 1 974 . 1 1 88 88 THR CG2 C 13 21.249 0.120 . 1 . . . . 88 T CG2 . 18197 1 975 . 1 1 88 88 THR N N 15 120.784 0.054 . 1 . . . . 88 T N . 18197 1 976 . 1 1 89 89 GLY H H 1 7.431 0.026 . 1 . . . . 89 G H . 18197 1 977 . 1 1 89 89 GLY HA2 H 1 4.065 0.005 . 1 . . . . 89 G HA2 . 18197 1 978 . 1 1 89 89 GLY HA3 H 1 3.633 0.003 . 1 . . . . 89 G HA3 . 18197 1 979 . 1 1 89 89 GLY C C 13 174.212 0.009 . 1 . . . . 89 G C . 18197 1 980 . 1 1 89 89 GLY CA C 13 44.883 0.035 . 1 . . . . 89 G CA . 18197 1 981 . 1 1 89 89 GLY N N 15 109.925 0.080 . 1 . . . . 89 G N . 18197 1 982 . 1 1 90 90 GLY H H 1 8.172 0.027 . 1 . . . . 90 G H . 18197 1 983 . 1 1 90 90 GLY HA2 H 1 3.869 0.005 . 1 . . . . 90 G QA . 18197 1 984 . 1 1 90 90 GLY HA3 H 1 3.869 0.003 . 1 . . . . 90 G QA . 18197 1 985 . 1 1 90 90 GLY C C 13 174.224 0.016 . 1 . . . . 90 G C . 18197 1 986 . 1 1 90 90 GLY CA C 13 45.585 0.059 . 1 . . . . 90 G CA . 18197 1 987 . 1 1 90 90 GLY N N 15 106.697 0.070 . 1 . . . . 90 G N . 18197 1 988 . 1 1 91 91 SER H H 1 8.183 0.027 . 1 . . . . 91 S H . 18197 1 989 . 1 1 91 91 SER HA H 1 4.921 0.001 . 1 . . . . 91 S HA . 18197 1 990 . 1 1 91 91 SER HB2 H 1 3.991 0.001 . 2 . . . . 91 S HB2 . 18197 1 991 . 1 1 91 91 SER HB3 H 1 3.919 0.002 . 2 . . . . 91 S HB3 . 18197 1 992 . 1 1 91 91 SER C C 13 174.315 0.001 . 1 . . . . 91 S C . 18197 1 993 . 1 1 91 91 SER CA C 13 55.405 0.020 . 1 . . . . 91 S CA . 18197 1 994 . 1 1 91 91 SER CB C 13 64.541 0.002 . 1 . . . . 91 S CB . 18197 1 995 . 1 1 91 91 SER N N 15 116.496 0.059 . 1 . . . . 91 S N . 18197 1 996 . 1 1 92 92 PRO HA H 1 4.523 0.001 . 1 . . . . 92 P HA . 18197 1 997 . 1 1 92 92 PRO HB2 H 1 2.156 0.001 . 2 . . . . 92 P HB2 . 18197 1 998 . 1 1 92 92 PRO HB3 H 1 2.047 0.002 . 2 . . . . 92 P HB3 . 18197 1 999 . 1 1 92 92 PRO HG2 H 1 2.045 0.001 . 2 . . . . 92 P HG2 . 18197 1 1000 . 1 1 92 92 PRO HG3 H 1 1.853 0.001 . 2 . . . . 92 P HG3 . 18197 1 1001 . 1 1 92 92 PRO HD2 H 1 3.861 0.004 . 2 . . . . 92 P HD2 . 18197 1 1002 . 1 1 92 92 PRO HD3 H 1 3.808 0.003 . 2 . . . . 92 P HD3 . 18197 1 1003 . 1 1 92 92 PRO C C 13 175.644 0.029 . 1 . . . . 92 P C . 18197 1 1004 . 1 1 92 92 PRO CA C 13 63.548 0.059 . 1 . . . . 92 P CA . 18197 1 1005 . 1 1 92 92 PRO CB C 13 31.856 0.013 . 1 . . . . 92 P CB . 18197 1 1006 . 1 1 92 92 PRO CG C 13 26.851 0.004 . 1 . . . . 92 P CG . 18197 1 1007 . 1 1 92 92 PRO CD C 13 50.893 0.006 . 1 . . . . 92 P CD . 18197 1 1008 . 1 1 93 93 ARG H H 1 7.647 0.024 . 1 . . . . 93 R H . 18197 1 1009 . 1 1 93 93 ARG HA H 1 4.66 0.002 . 1 . . . . 93 R HA . 18197 1 1010 . 1 1 93 93 ARG HB2 H 1 1.841 0.001 . 2 . . . . 93 R HB2 . 18197 1 1011 . 1 1 93 93 ARG HB3 H 1 1.612 0.004 . 2 . . . . 93 R HB3 . 18197 1 1012 . 1 1 93 93 ARG HG2 H 1 1.616 0.001 . 2 . . . . 93 R QG . 18197 1 1013 . 1 1 93 93 ARG HG3 H 1 1.616 0.001 . 2 . . . . 93 R QG . 18197 1 1014 . 1 1 93 93 ARG HD2 H 1 3.19 0.001 . 2 . . . . 93 R QD . 18197 1 1015 . 1 1 93 93 ARG HD3 H 1 3.19 0.001 . 2 . . . . 93 R QD . 18197 1 1016 . 1 1 93 93 ARG C C 13 173.225 0.002 . 1 . . . . 93 R C . 18197 1 1017 . 1 1 93 93 ARG CA C 13 53.649 0.006 . 1 . . . . 93 R CA . 18197 1 1018 . 1 1 93 93 ARG CB C 13 30.478 0.005 . 1 . . . . 93 R CB . 18197 1 1019 . 1 1 93 93 ARG CG C 13 26.934 0.012 . 1 . . . . 93 R CG . 18197 1 1020 . 1 1 93 93 ARG CD C 13 43.418 0.014 . 1 . . . . 93 R CD . 18197 1 1021 . 1 1 93 93 ARG N N 15 119.983 0.050 . 1 . . . . 93 R N . 18197 1 1022 . 1 1 95 95 PRO HA H 1 4.45 0.001 . 1 . . . . 95 P HA . 18197 1 1023 . 1 1 95 95 PRO HB2 H 1 2.368 0.003 . 2 . . . . 95 P HB2 . 18197 1 1024 . 1 1 95 95 PRO HB3 H 1 1.966 0.002 . 2 . . . . 95 P HB3 . 18197 1 1025 . 1 1 95 95 PRO HG2 H 1 1.948 0.001 . 2 . . . . 95 P HG2 . 18197 1 1026 . 1 1 95 95 PRO HG3 H 1 1.9 0.002 . 2 . . . . 95 P HG3 . 18197 1 1027 . 1 1 95 95 PRO HD2 H 1 3.548 0.050 . 2 . . . . 95 P QD . 18197 1 1028 . 1 1 95 95 PRO HD3 H 1 3.548 0.050 . 2 . . . . 95 P QD . 18197 1 1029 . 1 1 95 95 PRO C C 13 176.26 0.011 . 1 . . . . 95 P C . 18197 1 1030 . 1 1 95 95 PRO CA C 13 62.379 0.031 . 1 . . . . 95 P CA . 18197 1 1031 . 1 1 95 95 PRO CB C 13 34.332 0.031 . 1 . . . . 95 P CB . 18197 1 1032 . 1 1 95 95 PRO CG C 13 25.403 0.007 . 1 . . . . 95 P CG . 18197 1 1033 . 1 1 95 95 PRO CD C 13 50.949 0.018 . 1 . . . . 95 P CD . 18197 1 1034 . 1 1 96 96 CYS H H 1 9.354 0.024 . 1 . . . . 96 C H . 18197 1 1035 . 1 1 96 96 CYS HA H 1 4.659 0.003 . 1 . . . . 96 C HA . 18197 1 1036 . 1 1 96 96 CYS HB2 H 1 3.027 0.002 . 2 . . . . 96 C HB2 . 18197 1 1037 . 1 1 96 96 CYS HB3 H 1 2.794 0.010 . 2 . . . . 96 C HB3 . 18197 1 1038 . 1 1 96 96 CYS C C 13 173.501 0.022 . 1 . . . . 96 C C . 18197 1 1039 . 1 1 96 96 CYS CA C 13 54.099 0.142 . 1 . . . . 96 C CA . 18197 1 1040 . 1 1 96 96 CYS CB C 13 40.162 0.014 . 1 . . . . 96 C CB . 18197 1 1041 . 1 1 96 96 CYS N N 15 124.304 0.048 . 1 . . . . 96 C N . 18197 1 1042 . 1 1 97 97 ARG H H 1 9.107 0.022 . 1 . . . . 97 R H . 18197 1 1043 . 1 1 97 97 ARG HA H 1 4.705 0.003 . 1 . . . . 97 R HA . 18197 1 1044 . 1 1 97 97 ARG HB2 H 1 1.732 0.002 . 2 . . . . 97 R HB2 . 18197 1 1045 . 1 1 97 97 ARG HB3 H 1 1.65 0.010 . 2 . . . . 97 R HB3 . 18197 1 1046 . 1 1 97 97 ARG HG2 H 1 1.423 0.003 . 2 . . . . 97 R QG . 18197 1 1047 . 1 1 97 97 ARG HG3 H 1 1.423 0.003 . 2 . . . . 97 R QG . 18197 1 1048 . 1 1 97 97 ARG HD2 H 1 2.931 0.007 . 2 . . . . 97 R HD2 . 18197 1 1049 . 1 1 97 97 ARG HD3 H 1 2.894 0.001 . 2 . . . . 97 R HD3 . 18197 1 1050 . 1 1 97 97 ARG C C 13 175.804 0.015 . 1 . . . . 97 R C . 18197 1 1051 . 1 1 97 97 ARG CA C 13 54.359 0.080 . 1 . . . . 97 R CA . 18197 1 1052 . 1 1 97 97 ARG CB C 13 30.077 0.079 . 1 . . . . 97 R CB . 18197 1 1053 . 1 1 97 97 ARG CG C 13 25.419 0.030 . 1 . . . . 97 R CG . 18197 1 1054 . 1 1 97 97 ARG CD C 13 42.426 0.009 . 1 . . . . 97 R CD . 18197 1 1055 . 1 1 97 97 ARG N N 15 126.232 0.080 . 1 . . . . 97 R N . 18197 1 1056 . 1 1 98 98 TYR H H 1 8.992 0.025 . 1 . . . . 98 Y H . 18197 1 1057 . 1 1 98 98 TYR HA H 1 5.064 0.003 . 1 . . . . 98 Y HA . 18197 1 1058 . 1 1 98 98 TYR HB2 H 1 2.759 0.002 . 2 . . . . 98 Y HB2 . 18197 1 1059 . 1 1 98 98 TYR HB3 H 1 2.455 0.002 . 2 . . . . 98 Y HB3 . 18197 1 1060 . 1 1 98 98 TYR C C 13 175.04 0.007 . 1 . . . . 98 Y C . 18197 1 1061 . 1 1 98 98 TYR CA C 13 58.859 0.156 . 1 . . . . 98 Y CA . 18197 1 1062 . 1 1 98 98 TYR CB C 13 44.607 0.049 . 1 . . . . 98 Y CB . 18197 1 1063 . 1 1 98 98 TYR N N 15 118.165 0.055 . 1 . . . . 98 Y N . 18197 1 1064 . 1 1 99 99 ARG H H 1 9.121 0.023 . 1 . . . . 99 R H . 18197 1 1065 . 1 1 99 99 ARG HA H 1 4.677 0.002 . 1 . . . . 99 R HA . 18197 1 1066 . 1 1 99 99 ARG HB2 H 1 1.785 0.002 . 2 . . . . 99 R QB . 18197 1 1067 . 1 1 99 99 ARG HB3 H 1 1.785 0.002 . 2 . . . . 99 R QB . 18197 1 1068 . 1 1 99 99 ARG HG2 H 1 1.618 0.003 . 2 . . . . 99 R QG . 18197 1 1069 . 1 1 99 99 ARG HG3 H 1 1.618 0.003 . 2 . . . . 99 R QG . 18197 1 1070 . 1 1 99 99 ARG HD2 H 1 2.993 0.002 . 2 . . . . 99 R HD2 . 18197 1 1071 . 1 1 99 99 ARG HD3 H 1 2.846 0.002 . 2 . . . . 99 R HD3 . 18197 1 1072 . 1 1 99 99 ARG C C 13 174.903 0.009 . 1 . . . . 99 R C . 18197 1 1073 . 1 1 99 99 ARG CA C 13 54.351 0.091 . 1 . . . . 99 R CA . 18197 1 1074 . 1 1 99 99 ARG CB C 13 32.709 0.100 . 1 . . . . 99 R CB . 18197 1 1075 . 1 1 99 99 ARG CG C 13 27.208 0.170 . 1 . . . . 99 R CG . 18197 1 1076 . 1 1 99 99 ARG CD C 13 41.402 0.210 . 1 . . . . 99 R CD . 18197 1 1077 . 1 1 99 99 ARG N N 15 118.746 0.055 . 1 . . . . 99 R N . 18197 1 1078 . 1 1 100 100 ALA H H 1 8.856 0.023 . 1 . . . . 100 A H . 18197 1 1079 . 1 1 100 100 ALA HA H 1 5.493 0.025 . 1 . . . . 100 A HA . 18197 1 1080 . 1 1 100 100 ALA HB1 H 1 1.222 0.002 . 1 . . . . 100 A QB . 18197 1 1081 . 1 1 100 100 ALA HB2 H 1 1.222 0.002 . 1 . . . . 100 A QB . 18197 1 1082 . 1 1 100 100 ALA HB3 H 1 1.222 0.002 . 1 . . . . 100 A QB . 18197 1 1083 . 1 1 100 100 ALA C C 13 177.886 0.011 . 1 . . . . 100 A C . 18197 1 1084 . 1 1 100 100 ALA CA C 13 51.138 0.059 . 1 . . . . 100 A CA . 18197 1 1085 . 1 1 100 100 ALA CB C 13 23.748 0.035 . 1 . . . . 100 A CB . 18197 1 1086 . 1 1 100 100 ALA N N 15 126.404 0.042 . 1 . . . . 100 A N . 18197 1 1087 . 1 1 101 101 SER H H 1 8.912 0.024 . 1 . . . . 101 S H . 18197 1 1088 . 1 1 101 101 SER HA H 1 4.814 0.003 . 1 . . . . 101 S HA . 18197 1 1089 . 1 1 101 101 SER HB2 H 1 3.844 0.002 . 2 . . . . 101 S HB2 . 18197 1 1090 . 1 1 101 101 SER HB3 H 1 3.689 0.002 . 2 . . . . 101 S HB3 . 18197 1 1091 . 1 1 101 101 SER C C 13 173.572 0.015 . 1 . . . . 101 S C . 18197 1 1092 . 1 1 101 101 SER CA C 13 57.464 0.168 . 1 . . . . 101 S CA . 18197 1 1093 . 1 1 101 101 SER CB C 13 64.62 0.029 . 1 . . . . 101 S CB . 18197 1 1094 . 1 1 101 101 SER N N 15 116.461 0.032 . 1 . . . . 101 S N . 18197 1 1095 . 1 1 102 102 ALA H H 1 9.27 0.024 . 1 . . . . 102 A H . 18197 1 1096 . 1 1 102 102 ALA HA H 1 5.33 0.003 . 1 . . . . 102 A HA . 18197 1 1097 . 1 1 102 102 ALA HB1 H 1 1.539 0.002 . 1 . . . . 102 A QB . 18197 1 1098 . 1 1 102 102 ALA HB2 H 1 1.539 0.002 . 1 . . . . 102 A QB . 18197 1 1099 . 1 1 102 102 ALA HB3 H 1 1.539 0.002 . 1 . . . . 102 A QB . 18197 1 1100 . 1 1 102 102 ALA C C 13 176.953 0.001 . 1 . . . . 102 A C . 18197 1 1101 . 1 1 102 102 ALA CA C 13 51.369 0.058 . 1 . . . . 102 A CA . 18197 1 1102 . 1 1 102 102 ALA CB C 13 20.054 0.024 . 1 . . . . 102 A CB . 18197 1 1103 . 1 1 102 102 ALA N N 15 132.822 0.041 . 1 . . . . 102 A N . 18197 1 1104 . 1 1 103 103 GLY H H 1 8.581 0.026 . 1 . . . . 103 G H . 18197 1 1105 . 1 1 103 103 GLY HA2 H 1 4.518 0.003 . 1 . . . . 103 G HA2 . 18197 1 1106 . 1 1 103 103 GLY HA3 H 1 3.784 0.003 . 1 . . . . 103 G HA3 . 18197 1 1107 . 1 1 103 103 GLY C C 13 170.712 0.005 . 1 . . . . 103 G C . 18197 1 1108 . 1 1 103 103 GLY CA C 13 45.375 0.002 . 1 . . . . 103 G CA . 18197 1 1109 . 1 1 103 103 GLY N N 15 109.132 0.048 . 1 . . . . 103 G N . 18197 1 1110 . 1 1 104 104 PHE H H 1 8.557 0.028 . 1 . . . . 104 F H . 18197 1 1111 . 1 1 104 104 PHE HA H 1 5.63 0.003 . 1 . . . . 104 F HA . 18197 1 1112 . 1 1 104 104 PHE HB2 H 1 3.022 0.002 . 2 . . . . 104 F HB2 . 18197 1 1113 . 1 1 104 104 PHE HB3 H 1 2.848 0.002 . 2 . . . . 104 F HB3 . 18197 1 1114 . 1 1 104 104 PHE C C 13 174.806 0.011 . 1 . . . . 104 F C . 18197 1 1115 . 1 1 104 104 PHE CA C 13 55.423 0.044 . 1 . . . . 104 F CA . 18197 1 1116 . 1 1 104 104 PHE CB C 13 39.543 0.033 . 1 . . . . 104 F CB . 18197 1 1117 . 1 1 104 104 PHE N N 15 123.046 0.050 . 1 . . . . 104 F N . 18197 1 1118 . 1 1 105 105 ARG H H 1 8.636 0.023 . 1 . . . . 105 R H . 18197 1 1119 . 1 1 105 105 ARG HA H 1 4.773 0.002 . 1 . . . . 105 R HA . 18197 1 1120 . 1 1 105 105 ARG HB2 H 1 2.223 0.010 . 2 . . . . 105 R HB2 . 18197 1 1121 . 1 1 105 105 ARG HB3 H 1 1.749 0.006 . 2 . . . . 105 R HB3 . 18197 1 1122 . 1 1 105 105 ARG HG2 H 1 1.566 0.020 . 2 . . . . 105 R QG . 18197 1 1123 . 1 1 105 105 ARG HG3 H 1 1.566 0.020 . 2 . . . . 105 R QG . 18197 1 1124 . 1 1 105 105 ARG HD2 H 1 2.932 0.008 . 2 . . . . 105 R QD . 18197 1 1125 . 1 1 105 105 ARG HD3 H 1 2.932 0.008 . 2 . . . . 105 R QD . 18197 1 1126 . 1 1 105 105 ARG C C 13 176.017 0.013 . 1 . . . . 105 R C . 18197 1 1127 . 1 1 105 105 ARG CA C 13 53.905 0.131 . 1 . . . . 105 R CA . 18197 1 1128 . 1 1 105 105 ARG CB C 13 34.112 0.052 . 1 . . . . 105 R CB . 18197 1 1129 . 1 1 105 105 ARG CG C 13 28.71 0.082 . 1 . . . . 105 R CG . 18197 1 1130 . 1 1 105 105 ARG CD C 13 45.691 0.210 . 1 . . . . 105 R CD . 18197 1 1131 . 1 1 105 105 ARG N N 15 121.18 0.087 . 1 . . . . 105 R N . 18197 1 1132 . 1 1 106 106 HIS H H 1 8.62 0.022 . 1 . . . . 106 H H . 18197 1 1133 . 1 1 106 106 HIS HA H 1 4.126 0.003 . 1 . . . . 106 H HA . 18197 1 1134 . 1 1 106 106 HIS HB2 H 1 3.021 0.002 . 2 . . . . 106 H QB . 18197 1 1135 . 1 1 106 106 HIS HB3 H 1 3.021 0.002 . 2 . . . . 106 H QB . 18197 1 1136 . 1 1 106 106 HIS C C 13 173.539 0.016 . 1 . . . . 106 H C . 18197 1 1137 . 1 1 106 106 HIS CA C 13 58.755 0.074 . 1 . . . . 106 H CA . 18197 1 1138 . 1 1 106 106 HIS CB C 13 28.963 0.071 . 1 . . . . 106 H CB . 18197 1 1139 . 1 1 106 106 HIS N N 15 120.561 0.075 . 1 . . . . 106 H N . 18197 1 1140 . 1 1 107 107 VAL H H 1 8.056 0.024 . 1 . . . . 107 V H . 18197 1 1141 . 1 1 107 107 VAL HA H 1 4.662 0.002 . 1 . . . . 107 V HA . 18197 1 1142 . 1 1 107 107 VAL HB H 1 1.807 0.001 . 1 . . . . 107 V HB . 18197 1 1143 . 1 1 107 107 VAL HG11 H 1 0.956 0.005 . 2 . . . . 107 V MG1 . 18197 1 1144 . 1 1 107 107 VAL HG12 H 1 0.956 0.005 . 2 . . . . 107 V MG1 . 18197 1 1145 . 1 1 107 107 VAL HG13 H 1 0.956 0.005 . 2 . . . . 107 V MG1 . 18197 1 1146 . 1 1 107 107 VAL HG21 H 1 0.579 0.006 . 2 . . . . 107 V MG2 . 18197 1 1147 . 1 1 107 107 VAL HG22 H 1 0.579 0.006 . 2 . . . . 107 V MG2 . 18197 1 1148 . 1 1 107 107 VAL HG23 H 1 0.579 0.006 . 2 . . . . 107 V MG2 . 18197 1 1149 . 1 1 107 107 VAL C C 13 172.614 0.010 . 1 . . . . 107 V C . 18197 1 1150 . 1 1 107 107 VAL CA C 13 58.759 0.157 . 1 . . . . 107 V CA . 18197 1 1151 . 1 1 107 107 VAL CB C 13 34.88 0.071 . 1 . . . . 107 V CB . 18197 1 1152 . 1 1 107 107 VAL CG1 C 13 22.03 0.137 . 2 . . . . 107 V CG1 . 18197 1 1153 . 1 1 107 107 VAL CG2 C 13 18.448 0.152 . 2 . . . . 107 V CG2 . 18197 1 1154 . 1 1 107 107 VAL N N 15 109.767 0.111 . 1 . . . . 107 V N . 18197 1 1155 . 1 1 108 108 VAL H H 1 8.139 0.023 . 1 . . . . 108 V H . 18197 1 1156 . 1 1 108 108 VAL HA H 1 4.745 0.002 . 1 . . . . 108 V HA . 18197 1 1157 . 1 1 108 108 VAL HB H 1 1.039 0.007 . 1 . . . . 108 V HB . 18197 1 1158 . 1 1 108 108 VAL HG11 H 1 0.534 0.003 . 2 . . . . 108 V QQG . 18197 1 1159 . 1 1 108 108 VAL HG12 H 1 0.534 0.003 . 2 . . . . 108 V QQG . 18197 1 1160 . 1 1 108 108 VAL HG13 H 1 0.534 0.003 . 2 . . . . 108 V QQG . 18197 1 1161 . 1 1 108 108 VAL HG21 H 1 0.534 0.002 . 2 . . . . 108 V QQG . 18197 1 1162 . 1 1 108 108 VAL HG22 H 1 0.534 0.002 . 2 . . . . 108 V QQG . 18197 1 1163 . 1 1 108 108 VAL HG23 H 1 0.534 0.002 . 2 . . . . 108 V QQG . 18197 1 1164 . 1 1 108 108 VAL C C 13 174.974 0.016 . 1 . . . . 108 V C . 18197 1 1165 . 1 1 108 108 VAL CA C 13 60.757 0.105 . 1 . . . . 108 V CA . 18197 1 1166 . 1 1 108 108 VAL CB C 13 33.916 0.211 . 1 . . . . 108 V CB . 18197 1 1167 . 1 1 108 108 VAL CG1 C 13 24.121 0.137 . 2 . . . . 108 V CG1 . 18197 1 1168 . 1 1 108 108 VAL CG2 C 13 20.013 0.152 . 2 . . . . 108 V CG2 . 18197 1 1169 . 1 1 108 108 VAL N N 15 122.384 0.056 . 1 . . . . 108 V N . 18197 1 1170 . 1 1 109 109 ILE H H 1 8.548 0.025 . 1 . . . . 109 I H . 18197 1 1171 . 1 1 109 109 ILE HA H 1 4.88 0.003 . 1 . . . . 109 I HA . 18197 1 1172 . 1 1 109 109 ILE HB H 1 1.981 0.002 . 1 . . . . 109 I HB . 18197 1 1173 . 1 1 109 109 ILE HG12 H 1 1.019 0.001 . 1 . . . . 109 I QG1 . 18197 1 1174 . 1 1 109 109 ILE HG13 H 1 1.019 0.001 . 1 . . . . 109 I QG1 . 18197 1 1175 . 1 1 109 109 ILE HG21 H 1 0.725 0.002 . 1 . . . . 109 I MG . 18197 1 1176 . 1 1 109 109 ILE HG22 H 1 0.725 0.002 . 1 . . . . 109 I MG . 18197 1 1177 . 1 1 109 109 ILE HG23 H 1 0.725 0.002 . 1 . . . . 109 I MG . 18197 1 1178 . 1 1 109 109 ILE HD11 H 1 0.403 0.001 . 1 . . . . 109 I MD . 18197 1 1179 . 1 1 109 109 ILE HD12 H 1 0.403 0.001 . 1 . . . . 109 I MD . 18197 1 1180 . 1 1 109 109 ILE HD13 H 1 0.403 0.001 . 1 . . . . 109 I MD . 18197 1 1181 . 1 1 109 109 ILE C C 13 173.781 0.039 . 1 . . . . 109 I C . 18197 1 1182 . 1 1 109 109 ILE CA C 13 58.095 0.008 . 1 . . . . 109 I CA . 18197 1 1183 . 1 1 109 109 ILE CB C 13 43.141 0.039 . 1 . . . . 109 I CB . 18197 1 1184 . 1 1 109 109 ILE CG1 C 13 25.55 0.057 . 1 . . . . 109 I CG1 . 18197 1 1185 . 1 1 109 109 ILE CG2 C 13 17.289 0.003 . 1 . . . . 109 I CG2 . 18197 1 1186 . 1 1 109 109 ILE CD1 C 13 16.55 0.125 . 1 . . . . 109 I CD1 . 18197 1 1187 . 1 1 109 109 ILE N N 15 118.649 0.040 . 1 . . . . 109 I N . 18197 1 1188 . 1 1 110 110 ALA H H 1 8.372 0.030 . 1 . . . . 110 A H . 18197 1 1189 . 1 1 110 110 ALA HA H 1 4.933 0.003 . 1 . . . . 110 A HA . 18197 1 1190 . 1 1 110 110 ALA HB1 H 1 1.384 0.002 . 1 . . . . 110 A QB . 18197 1 1191 . 1 1 110 110 ALA HB2 H 1 1.384 0.002 . 1 . . . . 110 A QB . 18197 1 1192 . 1 1 110 110 ALA HB3 H 1 1.384 0.002 . 1 . . . . 110 A QB . 18197 1 1193 . 1 1 110 110 ALA C C 13 176.857 0.010 . 1 . . . . 110 A C . 18197 1 1194 . 1 1 110 110 ALA CA C 13 50.695 0.104 . 1 . . . . 110 A CA . 18197 1 1195 . 1 1 110 110 ALA CB C 13 22.375 0.034 . 1 . . . . 110 A CB . 18197 1 1196 . 1 1 110 110 ALA N N 15 119.367 0.108 . 1 . . . . 110 A N . 18197 1 1197 . 1 1 111 111 CYS H H 1 9.006 0.023 . 1 . . . . 111 C H . 18197 1 1198 . 1 1 111 111 CYS HA H 1 5.512 0.004 . 1 . . . . 111 C HA . 18197 1 1199 . 1 1 111 111 CYS HB2 H 1 3.128 0.002 . 2 . . . . 111 C HB2 . 18197 1 1200 . 1 1 111 111 CYS HB3 H 1 2.364 0.003 . 2 . . . . 111 C HB3 . 18197 1 1201 . 1 1 111 111 CYS C C 13 174.056 0.017 . 1 . . . . 111 C C . 18197 1 1202 . 1 1 111 111 CYS CA C 13 56.097 0.024 . 1 . . . . 111 C CA . 18197 1 1203 . 1 1 111 111 CYS CB C 13 49.423 0.038 . 1 . . . . 111 C CB . 18197 1 1204 . 1 1 111 111 CYS N N 15 119.451 0.044 . 1 . . . . 111 C N . 18197 1 1205 . 1 1 112 112 GLU H H 1 8.955 0.022 . 1 . . . . 112 E H . 18197 1 1206 . 1 1 112 112 GLU HA H 1 4.393 0.001 . 1 . . . . 112 E HA . 18197 1 1207 . 1 1 112 112 GLU HB2 H 1 1.843 0.003 . 2 . . . . 112 E HB2 . 18197 1 1208 . 1 1 112 112 GLU HB3 H 1 1.687 0.002 . 2 . . . . 112 E HB3 . 18197 1 1209 . 1 1 112 112 GLU HG2 H 1 2.133 0.002 . 2 . . . . 112 E QG . 18197 1 1210 . 1 1 112 112 GLU HG3 H 1 2.133 0.002 . 2 . . . . 112 E QG . 18197 1 1211 . 1 1 112 112 GLU C C 13 176.398 0.008 . 1 . . . . 112 E C . 18197 1 1212 . 1 1 112 112 GLU CA C 13 56.385 0.080 . 1 . . . . 112 E CA . 18197 1 1213 . 1 1 112 112 GLU CB C 13 33.114 0.009 . 1 . . . . 112 E CB . 18197 1 1214 . 1 1 112 112 GLU CG C 13 36.723 0.162 . 1 . . . . 112 E CG . 18197 1 1215 . 1 1 112 112 GLU N N 15 121.547 0.054 . 1 . . . . 112 E N . 18197 1 1216 . 1 1 113 113 ASN H H 1 9.489 0.023 . 1 . . . . 113 N H . 18197 1 1217 . 1 1 113 113 ASN HA H 1 4.275 0.003 . 1 . . . . 113 N HA . 18197 1 1218 . 1 1 113 113 ASN HB2 H 1 2.988 0.002 . 2 . . . . 113 N HB2 . 18197 1 1219 . 1 1 113 113 ASN HB3 H 1 2.724 0.006 . 2 . . . . 113 N HB3 . 18197 1 1220 . 1 1 113 113 ASN HD21 H 1 7.765 0.041 . 2 . . . . 113 N HD21 . 18197 1 1221 . 1 1 113 113 ASN HD22 H 1 6.907 0.041 . 2 . . . . 113 N HD22 . 18197 1 1222 . 1 1 113 113 ASN C C 13 174.625 0.006 . 1 . . . . 113 N C . 18197 1 1223 . 1 1 113 113 ASN CA C 13 54.303 0.106 . 1 . . . . 113 N CA . 18197 1 1224 . 1 1 113 113 ASN CB C 13 37.552 0.018 . 1 . . . . 113 N CB . 18197 1 1225 . 1 1 113 113 ASN N N 15 123.791 0.076 . 1 . . . . 113 N N . 18197 1 1226 . 1 1 113 113 ASN ND2 N 15 113.683 0.200 . 1 . . . . 113 N ND2 . 18197 1 1227 . 1 1 114 114 GLY H H 1 8.7 0.024 . 1 . . . . 114 G H . 18197 1 1228 . 1 1 114 114 GLY HA2 H 1 3.932 0.006 . 1 . . . . 114 G HA2 . 18197 1 1229 . 1 1 114 114 GLY HA3 H 1 3.256 0.002 . 1 . . . . 114 G HA3 . 18197 1 1230 . 1 1 114 114 GLY C C 13 172.702 0.009 . 1 . . . . 114 G C . 18197 1 1231 . 1 1 114 114 GLY CA C 13 45.084 0.039 . 1 . . . . 114 G CA . 18197 1 1232 . 1 1 114 114 GLY N N 15 102.517 0.051 . 1 . . . . 114 G N . 18197 1 1233 . 1 1 115 115 LEU H H 1 7.526 0.025 . 1 . . . . 115 L H . 18197 1 1234 . 1 1 115 115 LEU HA H 1 4.631 0.001 . 1 . . . . 115 L HA . 18197 1 1235 . 1 1 115 115 LEU HB2 H 1 1.505 0.003 . 2 . . . . 115 L QB . 18197 1 1236 . 1 1 115 115 LEU HB3 H 1 1.505 0.002 . 2 . . . . 115 L QB . 18197 1 1237 . 1 1 115 115 LEU HG H 1 0.671 0.001 . 1 . . . . 115 L HG . 18197 1 1238 . 1 1 115 115 LEU HD11 H 1 0.639 0.002 . 2 . . . . 115 L MD1 . 18197 1 1239 . 1 1 115 115 LEU HD12 H 1 0.639 0.002 . 2 . . . . 115 L MD1 . 18197 1 1240 . 1 1 115 115 LEU HD13 H 1 0.639 0.002 . 2 . . . . 115 L MD1 . 18197 1 1241 . 1 1 115 115 LEU HD21 H 1 0.191 0.001 . 2 . . . . 115 L MD2 . 18197 1 1242 . 1 1 115 115 LEU HD22 H 1 0.191 0.001 . 2 . . . . 115 L MD2 . 18197 1 1243 . 1 1 115 115 LEU HD23 H 1 0.191 0.001 . 2 . . . . 115 L MD2 . 18197 1 1244 . 1 1 115 115 LEU C C 13 174.344 0.003 . 1 . . . . 115 L C . 18197 1 1245 . 1 1 115 115 LEU CA C 13 50.97 0.035 . 1 . . . . 115 L CA . 18197 1 1246 . 1 1 115 115 LEU CB C 13 43.295 0.024 . 1 . . . . 115 L CB . 18197 1 1247 . 1 1 115 115 LEU CG C 13 25.638 0.007 . 1 . . . . 115 L CG . 18197 1 1248 . 1 1 115 115 LEU CD1 C 13 23.605 0.011 . 2 . . . . 115 L CD1 . 18197 1 1249 . 1 1 115 115 LEU CD2 C 13 22.313 0.004 . 2 . . . . 115 L CD2 . 18197 1 1250 . 1 1 115 115 LEU N N 15 118.767 0.066 . 1 . . . . 115 L N . 18197 1 1251 . 1 1 116 116 PRO HA H 1 4.176 0.003 . 1 . . . . 116 P HA . 18197 1 1252 . 1 1 116 116 PRO HB2 H 1 0.957 0.004 . 2 . . . . 116 P HB2 . 18197 1 1253 . 1 1 116 116 PRO HB3 H 1 0.488 0.003 . 2 . . . . 116 P HB3 . 18197 1 1254 . 1 1 116 116 PRO HG2 H 1 1.615 0.002 . 2 . . . . 116 P HG2 . 18197 1 1255 . 1 1 116 116 PRO HG3 H 1 1.482 0.001 . 2 . . . . 116 P HG3 . 18197 1 1256 . 1 1 116 116 PRO HD2 H 1 3.464 0.001 . 2 . . . . 116 P HD2 . 18197 1 1257 . 1 1 116 116 PRO HD3 H 1 3.293 0.001 . 2 . . . . 116 P HD3 . 18197 1 1258 . 1 1 116 116 PRO C C 13 175.433 0.007 . 1 . . . . 116 P C . 18197 1 1259 . 1 1 116 116 PRO CA C 13 62.546 0.030 . 1 . . . . 116 P CA . 18197 1 1260 . 1 1 116 116 PRO CB C 13 30.941 0.026 . 1 . . . . 116 P CB . 18197 1 1261 . 1 1 116 116 PRO CG C 13 27.399 0.005 . 1 . . . . 116 P CG . 18197 1 1262 . 1 1 116 116 PRO CD C 13 50.26 0.025 . 1 . . . . 116 P CD . 18197 1 1263 . 1 1 117 117 VAL H H 1 8.464 0.022 . 1 . . . . 117 V H . 18197 1 1264 . 1 1 117 117 VAL HA H 1 4.642 0.003 . 1 . . . . 117 V HA . 18197 1 1265 . 1 1 117 117 VAL HB H 1 2.223 0.002 . 1 . . . . 117 V HB . 18197 1 1266 . 1 1 117 117 VAL HG11 H 1 0.877 0.108 . 2 . . . . 117 V MG1 . 18197 1 1267 . 1 1 117 117 VAL HG12 H 1 0.877 0.108 . 2 . . . . 117 V MG1 . 18197 1 1268 . 1 1 117 117 VAL HG13 H 1 0.877 0.108 . 2 . . . . 117 V MG1 . 18197 1 1269 . 1 1 117 117 VAL HG21 H 1 0.59 0.002 . 2 . . . . 117 V MG2 . 18197 1 1270 . 1 1 117 117 VAL HG22 H 1 0.59 0.002 . 2 . . . . 117 V MG2 . 18197 1 1271 . 1 1 117 117 VAL HG23 H 1 0.59 0.002 . 2 . . . . 117 V MG2 . 18197 1 1272 . 1 1 117 117 VAL C C 13 176.632 0.003 . 1 . . . . 117 V C . 18197 1 1273 . 1 1 117 117 VAL CA C 13 60.772 0.117 . 1 . . . . 117 V CA . 18197 1 1274 . 1 1 117 117 VAL CB C 13 35.028 0.175 . 1 . . . . 117 V CB . 18197 1 1275 . 1 1 117 117 VAL CG1 C 13 22.424 0.026 . 2 . . . . 117 V CG1 . 18197 1 1276 . 1 1 117 117 VAL CG2 C 13 18.304 0.005 . 2 . . . . 117 V CG2 . 18197 1 1277 . 1 1 117 117 VAL N N 15 108.471 0.070 . 1 . . . . 117 V N . 18197 1 1278 . 1 1 118 118 HIS H H 1 7.598 0.024 . 1 . . . . 118 H H . 18197 1 1279 . 1 1 118 118 HIS HA H 1 5.281 0.003 . 1 . . . . 118 H HA . 18197 1 1280 . 1 1 118 118 HIS HB2 H 1 3.262 0.002 . 2 . . . . 118 H HB2 . 18197 1 1281 . 1 1 118 118 HIS HB3 H 1 2.85 0.003 . 2 . . . . 118 H HB3 . 18197 1 1282 . 1 1 118 118 HIS C C 13 172.359 0.012 . 1 . . . . 118 H C . 18197 1 1283 . 1 1 118 118 HIS CA C 13 56.186 0.049 . 1 . . . . 118 H CA . 18197 1 1284 . 1 1 118 118 HIS CB C 13 34.178 0.004 . 1 . . . . 118 H CB . 18197 1 1285 . 1 1 118 118 HIS N N 15 120.796 0.056 . 1 . . . . 118 H N . 18197 1 1286 . 1 1 119 119 PHE H H 1 8.603 0.026 . 1 . . . . 119 F H . 18197 1 1287 . 1 1 119 119 PHE HA H 1 4.46 0.003 . 1 . . . . 119 F HA . 18197 1 1288 . 1 1 119 119 PHE HB2 H 1 1.996 0.002 . 2 . . . . 119 F HB2 . 18197 1 1289 . 1 1 119 119 PHE HB3 H 1 1.93 0.002 . 2 . . . . 119 F HB3 . 18197 1 1290 . 1 1 119 119 PHE C C 13 172.714 0.008 . 1 . . . . 119 F C . 18197 1 1291 . 1 1 119 119 PHE CA C 13 56.922 0.098 . 1 . . . . 119 F CA . 18197 1 1292 . 1 1 119 119 PHE CB C 13 40.968 0.006 . 1 . . . . 119 F CB . 18197 1 1293 . 1 1 119 119 PHE N N 15 128.224 0.034 . 1 . . . . 119 F N . 18197 1 1294 . 1 1 120 120 ASP H H 1 7.49 0.022 . 1 . . . . 120 D H . 18197 1 1295 . 1 1 120 120 ASP HA H 1 4.536 0.004 . 1 . . . . 120 D HA . 18197 1 1296 . 1 1 120 120 ASP HB2 H 1 2.658 0.002 . 2 . . . . 120 D QB . 18197 1 1297 . 1 1 120 120 ASP HB3 H 1 2.658 0.002 . 2 . . . . 120 D QB . 18197 1 1298 . 1 1 120 120 ASP C C 13 175.676 0.037 . 1 . . . . 120 D C . 18197 1 1299 . 1 1 120 120 ASP CA C 13 53.287 0.110 . 1 . . . . 120 D CA . 18197 1 1300 . 1 1 120 120 ASP CB C 13 40.466 0.093 . 1 . . . . 120 D CB . 18197 1 1301 . 1 1 120 120 ASP N N 15 125.54 0.075 . 1 . . . . 120 D N . 18197 1 1302 . 1 1 121 121 GLU H H 1 8.416 0.024 . 1 . . . . 121 E H . 18197 1 1303 . 1 1 121 121 GLU HA H 1 4.38 0.001 . 1 . . . . 121 E HA . 18197 1 1304 . 1 1 121 121 GLU HB2 H 1 2.274 0.002 . 2 . . . . 121 E HB2 . 18197 1 1305 . 1 1 121 121 GLU HB3 H 1 1.821 0.001 . 2 . . . . 121 E HB3 . 18197 1 1306 . 1 1 121 121 GLU HG2 H 1 2.527 0.004 . 2 . . . . 121 E QG . 18197 1 1307 . 1 1 121 121 GLU HG3 H 1 2.527 0.002 . 2 . . . . 121 E QG . 18197 1 1308 . 1 1 121 121 GLU C C 13 179.284 0.016 . 1 . . . . 121 E C . 18197 1 1309 . 1 1 121 121 GLU CA C 13 57.856 0.077 . 1 . . . . 121 E CA . 18197 1 1310 . 1 1 121 121 GLU CB C 13 28.883 0.025 . 1 . . . . 121 E CB . 18197 1 1311 . 1 1 121 121 GLU CG C 13 34.607 0.120 . 1 . . . . 121 E CG . 18197 1 1312 . 1 1 121 121 GLU N N 15 126.598 0.137 . 1 . . . . 121 E N . 18197 1 1313 . 1 1 122 122 SER H H 1 8.401 0.024 . 1 . . . . 122 S H . 18197 1 1314 . 1 1 122 122 SER HA H 1 4.233 0.002 . 1 . . . . 122 S HA . 18197 1 1315 . 1 1 122 122 SER HB2 H 1 3.962 0.001 . 2 . . . . 122 S QB . 18197 1 1316 . 1 1 122 122 SER HB3 H 1 3.962 0.003 . 2 . . . . 122 S QB . 18197 1 1317 . 1 1 122 122 SER C C 13 175.704 0.025 . 1 . . . . 122 S C . 18197 1 1318 . 1 1 122 122 SER CA C 13 60.868 0.035 . 1 . . . . 122 S CA . 18197 1 1319 . 1 1 122 122 SER CB C 13 63.117 0.050 . 1 . . . . 122 S CB . 18197 1 1320 . 1 1 122 122 SER N N 15 115.701 0.120 . 1 . . . . 122 S N . 18197 1 1321 . 1 1 123 123 PHE H H 1 7.221 0.024 . 1 . . . . 123 F H . 18197 1 1322 . 1 1 123 123 PHE HA H 1 4.21 0.004 . 1 . . . . 123 F HA . 18197 1 1323 . 1 1 123 123 PHE HB2 H 1 2.979 0.001 . 2 . . . . 123 F HB2 . 18197 1 1324 . 1 1 123 123 PHE HB3 H 1 2.713 0.003 . 2 . . . . 123 F HB3 . 18197 1 1325 . 1 1 123 123 PHE C C 13 175.941 0.009 . 1 . . . . 123 F C . 18197 1 1326 . 1 1 123 123 PHE CA C 13 60.25 0.079 . 1 . . . . 123 F CA . 18197 1 1327 . 1 1 123 123 PHE CB C 13 39.485 0.009 . 1 . . . . 123 F CB . 18197 1 1328 . 1 1 123 123 PHE N N 15 122.515 0.124 . 1 . . . . 123 F N . 18197 1 1329 . 1 1 124 124 ILE H H 1 7.097 0.024 . 1 . . . . 124 I H . 18197 1 1330 . 1 1 124 124 ILE HA H 1 3.935 0.002 . 1 . . . . 124 I HA . 18197 1 1331 . 1 1 124 124 ILE HB H 1 2.153 0.002 . 1 . . . . 124 I HB . 18197 1 1332 . 1 1 124 124 ILE HG12 H 1 1.494 0.001 . 1 . . . . 124 I QG1 . 18197 1 1333 . 1 1 124 124 ILE HG13 H 1 1.494 0.001 . 1 . . . . 124 I QG1 . 18197 1 1334 . 1 1 124 124 ILE HG21 H 1 0.935 0.002 . 1 . . . . 124 I MG . 18197 1 1335 . 1 1 124 124 ILE HG22 H 1 0.935 0.002 . 1 . . . . 124 I MG . 18197 1 1336 . 1 1 124 124 ILE HG23 H 1 0.935 0.002 . 1 . . . . 124 I MG . 18197 1 1337 . 1 1 124 124 ILE HD11 H 1 0.755 0.005 . 1 . . . . 124 I MD . 18197 1 1338 . 1 1 124 124 ILE HD12 H 1 0.755 0.005 . 1 . . . . 124 I MD . 18197 1 1339 . 1 1 124 124 ILE HD13 H 1 0.755 0.005 . 1 . . . . 124 I MD . 18197 1 1340 . 1 1 124 124 ILE C C 13 175.67 0.019 . 1 . . . . 124 I C . 18197 1 1341 . 1 1 124 124 ILE CA C 13 59.924 0.074 . 1 . . . . 124 I CA . 18197 1 1342 . 1 1 124 124 ILE CB C 13 37.222 0.084 . 1 . . . . 124 I CB . 18197 1 1343 . 1 1 124 124 ILE CG1 C 13 27.684 0.014 . 1 . . . . 124 I CG1 . 18197 1 1344 . 1 1 124 124 ILE CG2 C 13 18.74 0.001 . 1 . . . . 124 I CG2 . 18197 1 1345 . 1 1 124 124 ILE CD1 C 13 12.377 0.041 . 1 . . . . 124 I CD1 . 18197 1 1346 . 1 1 124 124 ILE N N 15 115.499 0.045 . 1 . . . . 124 I N . 18197 1 1347 . 1 1 125 125 SER H H 1 7.442 0.024 . 1 . . . . 125 S H . 18197 1 1348 . 1 1 125 125 SER HA H 1 4.38 0.002 . 1 . . . . 125 S HA . 18197 1 1349 . 1 1 125 125 SER HB2 H 1 3.821 0.001 . 2 . . . . 125 S QB . 18197 1 1350 . 1 1 125 125 SER HB3 H 1 3.821 0.001 . 2 . . . . 125 S QB . 18197 1 1351 . 1 1 125 125 SER C C 13 173.482 0.010 . 1 . . . . 125 S C . 18197 1 1352 . 1 1 125 125 SER CA C 13 58.359 0.040 . 1 . . . . 125 S CA . 18197 1 1353 . 1 1 125 125 SER CB C 13 64.194 0.017 . 1 . . . . 125 S CB . 18197 1 1354 . 1 1 125 125 SER N N 15 116.634 0.036 . 1 . . . . 125 S N . 18197 1 1355 . 1 1 126 126 LEU H H 1 7.618 0.023 . 1 . . . . 126 L H . 18197 1 1356 . 1 1 126 126 LEU HA H 1 4.127 0.001 . 1 . . . . 126 L HA . 18197 1 1357 . 1 1 126 126 LEU HB2 H 1 1.501 0.003 . 2 . . . . 126 L QB . 18197 1 1358 . 1 1 126 126 LEU HB3 H 1 1.501 0.003 . 2 . . . . 126 L QB . 18197 1 1359 . 1 1 126 126 LEU HG H 1 1.6 0.005 . 1 . . . . 126 L HG . 18197 1 1360 . 1 1 126 126 LEU HD11 H 1 0.82 0.009 . 2 . . . . 126 L QQD . 18197 1 1361 . 1 1 126 126 LEU HD12 H 1 0.82 0.009 . 2 . . . . 126 L QQD . 18197 1 1362 . 1 1 126 126 LEU HD13 H 1 0.82 0.009 . 2 . . . . 126 L QQD . 18197 1 1363 . 1 1 126 126 LEU HD21 H 1 0.82 0.009 . 2 . . . . 126 L QQD . 18197 1 1364 . 1 1 126 126 LEU HD22 H 1 0.82 0.009 . 2 . . . . 126 L QQD . 18197 1 1365 . 1 1 126 126 LEU HD23 H 1 0.82 0.009 . 2 . . . . 126 L QQD . 18197 1 1366 . 1 1 126 126 LEU C C 13 170.497 0.019 . 1 . . . . 126 L C . 18197 1 1367 . 1 1 126 126 LEU CA C 13 57.214 0.021 . 1 . . . . 126 L CA . 18197 1 1368 . 1 1 126 126 LEU CB C 13 43.357 0.069 . 1 . . . . 126 L CB . 18197 1 1369 . 1 1 126 126 LEU CG C 13 27.128 0.074 . 1 . . . . 126 L CG . 18197 1 1370 . 1 1 126 126 LEU CD1 C 13 25.342 0.007 . 2 . . . . 126 L CD1 . 18197 1 1371 . 1 1 126 126 LEU CD2 C 13 23.542 0.009 . 2 . . . . 126 L CD2 . 18197 1 1372 . 1 1 126 126 LEU N N 15 129.289 0.057 . 1 . . . . 126 L N . 18197 1 stop_ save_