data_16175 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16175 _Entry.Title ; Backbone assignments for odorant binding protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-13 _Entry.Accession_date 2009-02-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 James Ames . . . 16175 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16175 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 496 16175 '15N chemical shifts' 120 16175 '1H chemical shifts' 804 16175 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 . . 2009-11-12 2009-02-13 update BMRB 'complete entry citation' 16175 1 . . 2009-07-10 2009-02-13 original author 'original release' 16175 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16175 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19888689 _Citation.Full_citation . _Citation.Title '(1)H, (15)N, and (13)C chemical shift assignments of the mosquito odorant binding protein-1 (CquiOBP1) bound to the mosquito oviposition pheromone.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _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 195 _Citation.Page_last 197 _Citation.Year 2009 _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 Xianzhong Xu . . . 16175 1 2 Wei Xu . . . 16175 1 3 Yuko Ishida . . . 16175 1 4 Yun Li . . . 16175 1 5 Walter Leal . S. . 16175 1 6 James Ames . B. . 16175 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16175 _Assembly.ID 1 _Assembly.Name CquiOBP1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit 1' 1 $CquiOBP1 A . yes native no no . . . 16175 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CquiOBP1 _Entity.Sf_category entity _Entity.Sf_framecode CquiOBP1 _Entity.Entry_ID 16175 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CquiOBP1 _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 ; DVTPRRDAEYPPPELLEALK PLHDICAKKTGVTDEAIIEF SDGKIHEDEKLKCYMNCLFH EAKVVDDNGDVHLEKLRDSL PNSMHDIAMHMGKRCLYPEG ENLCEKAFWLHKCWKQADPK HYFLV ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 ; The thiol side chains of all six cysteines are oxidized as evidenced by carbon-13 chemical shift at beta-position. However, we do not yet know the detailed assignment of the disulfide linkages (i.e. do not know the connectivity of disulfide bridges). ; _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 2L2C . "Nmr Structure Of Mosquito Odorant Binding Protein Bound To Mop Pheromone" . . . . . 100.00 125 100.00 100.00 3.86e-86 . . . . 16175 1 2 no PDB 3OGN . "Crystal Structure Of An Odorant-Binding Protein From The Southern House Mosquito Complexed With An Oviposition Pheromone" . . . . . 99.20 124 99.19 99.19 2.10e-84 . . . . 16175 1 3 no GB AAL86413 . "odorant-binding protein precursor [Culex quinquefasciatus]" . . . . . 100.00 149 99.20 99.20 8.86e-86 . . . . 16175 1 4 no GB AAO73465 . "odorant-binding protein [Culex tarsalis]" . . . . . 100.00 149 98.40 98.40 3.36e-85 . . . . 16175 1 5 no GB ACI00062 . "odorant-binding protein 1 precursor [Culex pipiens pipiens]" . . . . . 100.00 149 99.20 99.20 1.23e-85 . . . . 16175 1 6 no GB ACI00063 . "odorant-binding protein 1 precursor [Culex pipiens molestus]" . . . . . 100.00 149 99.20 99.20 1.42e-85 . . . . 16175 1 7 no GB EDS29369 . "conserved hypothetical protein [Culex quinquefasciatus]" . . . . . 100.00 149 99.20 99.20 8.86e-86 . . . . 16175 1 8 no REF XP_001848926 . "conserved hypothetical protein [Culex quinquefasciatus]" . . . . . 100.00 149 99.20 99.20 8.86e-86 . . . . 16175 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 . ASP . 16175 1 2 . VAL . 16175 1 3 . THR . 16175 1 4 . PRO . 16175 1 5 . ARG . 16175 1 6 . ARG . 16175 1 7 . ASP . 16175 1 8 . ALA . 16175 1 9 . GLU . 16175 1 10 . TYR . 16175 1 11 . PRO . 16175 1 12 . PRO . 16175 1 13 . PRO . 16175 1 14 . GLU . 16175 1 15 . LEU . 16175 1 16 . LEU . 16175 1 17 . GLU . 16175 1 18 . ALA . 16175 1 19 . LEU . 16175 1 20 . LYS . 16175 1 21 . PRO . 16175 1 22 . LEU . 16175 1 23 . HIS . 16175 1 24 . ASP . 16175 1 25 . ILE . 16175 1 26 . CYS . 16175 1 27 . ALA . 16175 1 28 . LYS . 16175 1 29 . LYS . 16175 1 30 . THR . 16175 1 31 . GLY . 16175 1 32 . VAL . 16175 1 33 . THR . 16175 1 34 . ASP . 16175 1 35 . GLU . 16175 1 36 . ALA . 16175 1 37 . ILE . 16175 1 38 . ILE . 16175 1 39 . GLU . 16175 1 40 . PHE . 16175 1 41 . SER . 16175 1 42 . ASP . 16175 1 43 . GLY . 16175 1 44 . LYS . 16175 1 45 . ILE . 16175 1 46 . HIS . 16175 1 47 . GLU . 16175 1 48 . ASP . 16175 1 49 . GLU . 16175 1 50 . LYS . 16175 1 51 . LEU . 16175 1 52 . LYS . 16175 1 53 . CYS . 16175 1 54 . TYR . 16175 1 55 . MET . 16175 1 56 . ASN . 16175 1 57 . CYS . 16175 1 58 . LEU . 16175 1 59 . PHE . 16175 1 60 . HIS . 16175 1 61 . GLU . 16175 1 62 . ALA . 16175 1 63 . LYS . 16175 1 64 . VAL . 16175 1 65 . VAL . 16175 1 66 . ASP . 16175 1 67 . ASP . 16175 1 68 . ASN . 16175 1 69 . GLY . 16175 1 70 . ASP . 16175 1 71 . VAL . 16175 1 72 . HIS . 16175 1 73 . LEU . 16175 1 74 . GLU . 16175 1 75 . LYS . 16175 1 76 . LEU . 16175 1 77 . ARG . 16175 1 78 . ASP . 16175 1 79 . SER . 16175 1 80 . LEU . 16175 1 81 . PRO . 16175 1 82 . ASN . 16175 1 83 . SER . 16175 1 84 . MET . 16175 1 85 . HIS . 16175 1 86 . ASP . 16175 1 87 . ILE . 16175 1 88 . ALA . 16175 1 89 . MET . 16175 1 90 . HIS . 16175 1 91 . MET . 16175 1 92 . GLY . 16175 1 93 . LYS . 16175 1 94 . ARG . 16175 1 95 . CYS . 16175 1 96 . LEU . 16175 1 97 . TYR . 16175 1 98 . PRO . 16175 1 99 . GLU . 16175 1 100 . GLY . 16175 1 101 . GLU . 16175 1 102 . ASN . 16175 1 103 . LEU . 16175 1 104 . CYS . 16175 1 105 . GLU . 16175 1 106 . LYS . 16175 1 107 . ALA . 16175 1 108 . PHE . 16175 1 109 . TRP . 16175 1 110 . LEU . 16175 1 111 . HIS . 16175 1 112 . LYS . 16175 1 113 . CYS . 16175 1 114 . TRP . 16175 1 115 . LYS . 16175 1 116 . GLN . 16175 1 117 . ALA . 16175 1 118 . ASP . 16175 1 119 . PRO . 16175 1 120 . LYS . 16175 1 121 . HIS . 16175 1 122 . TYR . 16175 1 123 . PHE . 16175 1 124 . LEU . 16175 1 125 . VAL . 16175 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 . ASP 1 1 16175 1 . VAL 2 2 16175 1 . THR 3 3 16175 1 . PRO 4 4 16175 1 . ARG 5 5 16175 1 . ARG 6 6 16175 1 . ASP 7 7 16175 1 . ALA 8 8 16175 1 . GLU 9 9 16175 1 . TYR 10 10 16175 1 . PRO 11 11 16175 1 . PRO 12 12 16175 1 . PRO 13 13 16175 1 . GLU 14 14 16175 1 . LEU 15 15 16175 1 . LEU 16 16 16175 1 . GLU 17 17 16175 1 . ALA 18 18 16175 1 . LEU 19 19 16175 1 . LYS 20 20 16175 1 . PRO 21 21 16175 1 . LEU 22 22 16175 1 . HIS 23 23 16175 1 . ASP 24 24 16175 1 . ILE 25 25 16175 1 . CYS 26 26 16175 1 . ALA 27 27 16175 1 . LYS 28 28 16175 1 . LYS 29 29 16175 1 . THR 30 30 16175 1 . GLY 31 31 16175 1 . VAL 32 32 16175 1 . THR 33 33 16175 1 . ASP 34 34 16175 1 . GLU 35 35 16175 1 . ALA 36 36 16175 1 . ILE 37 37 16175 1 . ILE 38 38 16175 1 . GLU 39 39 16175 1 . PHE 40 40 16175 1 . SER 41 41 16175 1 . ASP 42 42 16175 1 . GLY 43 43 16175 1 . LYS 44 44 16175 1 . ILE 45 45 16175 1 . HIS 46 46 16175 1 . GLU 47 47 16175 1 . ASP 48 48 16175 1 . GLU 49 49 16175 1 . LYS 50 50 16175 1 . LEU 51 51 16175 1 . LYS 52 52 16175 1 . CYS 53 53 16175 1 . TYR 54 54 16175 1 . MET 55 55 16175 1 . ASN 56 56 16175 1 . CYS 57 57 16175 1 . LEU 58 58 16175 1 . PHE 59 59 16175 1 . HIS 60 60 16175 1 . GLU 61 61 16175 1 . ALA 62 62 16175 1 . LYS 63 63 16175 1 . VAL 64 64 16175 1 . VAL 65 65 16175 1 . ASP 66 66 16175 1 . ASP 67 67 16175 1 . ASN 68 68 16175 1 . GLY 69 69 16175 1 . ASP 70 70 16175 1 . VAL 71 71 16175 1 . HIS 72 72 16175 1 . LEU 73 73 16175 1 . GLU 74 74 16175 1 . LYS 75 75 16175 1 . LEU 76 76 16175 1 . ARG 77 77 16175 1 . ASP 78 78 16175 1 . SER 79 79 16175 1 . LEU 80 80 16175 1 . PRO 81 81 16175 1 . ASN 82 82 16175 1 . SER 83 83 16175 1 . MET 84 84 16175 1 . HIS 85 85 16175 1 . ASP 86 86 16175 1 . ILE 87 87 16175 1 . ALA 88 88 16175 1 . MET 89 89 16175 1 . HIS 90 90 16175 1 . MET 91 91 16175 1 . GLY 92 92 16175 1 . LYS 93 93 16175 1 . ARG 94 94 16175 1 . CYS 95 95 16175 1 . LEU 96 96 16175 1 . TYR 97 97 16175 1 . PRO 98 98 16175 1 . GLU 99 99 16175 1 . GLY 100 100 16175 1 . GLU 101 101 16175 1 . ASN 102 102 16175 1 . LEU 103 103 16175 1 . CYS 104 104 16175 1 . GLU 105 105 16175 1 . LYS 106 106 16175 1 . ALA 107 107 16175 1 . PHE 108 108 16175 1 . TRP 109 109 16175 1 . LEU 110 110 16175 1 . HIS 111 111 16175 1 . LYS 112 112 16175 1 . CYS 113 113 16175 1 . TRP 114 114 16175 1 . LYS 115 115 16175 1 . GLN 116 116 16175 1 . ALA 117 117 16175 1 . ASP 118 118 16175 1 . PRO 119 119 16175 1 . LYS 120 120 16175 1 . HIS 121 121 16175 1 . TYR 122 122 16175 1 . PHE 123 123 16175 1 . LEU 124 124 16175 1 . VAL 125 125 16175 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 16175 _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 $CquiOBP1 . 7176 organism . 'Culex pipiens quinquefasciatus' 'southern house mosquito' . . Eukaryota Metazoa Culex 'Culex pipiens quinquefasciatus' . . . . . . . . . . . . . . . . . . . . . 16175 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 16175 _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 $CquiOBP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET23 . . . . . . 16175 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16175 _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 CquiOBP1 '[U-98% 13C; U-98% 15N]' . . 1 $CquiOBP1 . . 0.5 . . mM . . . . 16175 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 16175 _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' 20 . mM 16175 1 pH 7.0 . pH 16175 1 pressure 1 . atm 16175 1 temperature 298 . K 16175 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16175 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16175 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16175 1 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 16175 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16175 _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 . 600 . . . 16175 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 16175 _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 . . . . . . . . . . . . . . . . 16175 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16175 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16175 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16175 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16175 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16175 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16175 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 16175 _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 . indirect 0.251449530 . . . . . . . . . 16175 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16175 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16175 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 16175 _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 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 16175 1 4 '3D HNCO' . . . 16175 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 1 1 ASP H H 1 8.202 0.006 . 1 . . . . 1 D H . 16175 1 2 . 1 1 1 1 ASP HA H 1 4.588 0.033 . 1 . . . . 1 D HA . 16175 1 3 . 1 1 1 1 ASP HB2 H 1 2.575 0.012 . 2 . . . . 1 D HB2 . 16175 1 4 . 1 1 1 1 ASP HB3 H 1 1.768 0.004 . 2 . . . . 1 D HB3 . 16175 1 5 . 1 1 1 1 ASP C C 13 176.316 0.2 . 1 . . . . 1 D CO . 16175 1 6 . 1 1 1 1 ASP CA C 13 54.342 0.109 . 1 . . . . 1 D CA . 16175 1 7 . 1 1 1 1 ASP CB C 13 41.215 0.354 . 1 . . . . 1 D CB . 16175 1 8 . 1 1 1 1 ASP N N 15 120.678 0.129 . 1 . . . . 1 D N . 16175 1 9 . 1 1 2 2 VAL H H 1 7.987 0.007 . 1 . . . . 2 V H . 16175 1 10 . 1 1 2 2 VAL HA H 1 4.100 0.072 . 1 . . . . 2 V HA . 16175 1 11 . 1 1 2 2 VAL HB H 1 2.035 0.026 . 1 . . . . 2 V HB . 16175 1 12 . 1 1 2 2 VAL HG11 H 1 0.868 0.020 . 2 . . . . 2 V HG1 . 16175 1 13 . 1 1 2 2 VAL HG12 H 1 0.868 0.020 . 2 . . . . 2 V HG1 . 16175 1 14 . 1 1 2 2 VAL HG13 H 1 0.868 0.020 . 2 . . . . 2 V HG1 . 16175 1 15 . 1 1 2 2 VAL HG21 H 1 0.836 0.011 . 2 . . . . 2 V HG2 . 16175 1 16 . 1 1 2 2 VAL HG22 H 1 0.836 0.011 . 2 . . . . 2 V HG2 . 16175 1 17 . 1 1 2 2 VAL HG23 H 1 0.836 0.011 . 2 . . . . 2 V HG2 . 16175 1 18 . 1 1 2 2 VAL C C 13 175.683 0.370 . 1 . . . . 2 V CO . 16175 1 19 . 1 1 2 2 VAL CA C 13 62.101 0.263 . 1 . . . . 2 V CA . 16175 1 20 . 1 1 2 2 VAL CB C 13 32.840 0.170 . 1 . . . . 2 V CB . 16175 1 21 . 1 1 2 2 VAL CG1 C 13 20.175 0.096 . 2 . . . . 2 V CG1 . 16175 1 22 . 1 1 2 2 VAL CG2 C 13 20.974 0.126 . 2 . . . . 2 V CG2 . 16175 1 23 . 1 1 2 2 VAL N N 15 120.104 0.063 . 1 . . . . 2 V N . 16175 1 24 . 1 1 3 3 THR H H 1 8.180 0.010 . 1 . . . . 3 T H . 16175 1 25 . 1 1 3 3 THR HA H 1 4.500 0.009 . 1 . . . . 3 T HA . 16175 1 26 . 1 1 3 3 THR HB H 1 4.043 0.007 . 1 . . . . 3 T HB . 16175 1 27 . 1 1 3 3 THR HG21 H 1 1.232 0.008 . 1 . . . . 3 T HG2 . 16175 1 28 . 1 1 3 3 THR HG22 H 1 1.232 0.008 . 1 . . . . 3 T HG2 . 16175 1 29 . 1 1 3 3 THR HG23 H 1 1.232 0.008 . 1 . . . . 3 T HG2 . 16175 1 30 . 1 1 3 3 THR CA C 13 60.188 0.036 . 1 . . . . 3 T CA . 16175 1 31 . 1 1 3 3 THR CB C 13 69.677 0.049 . 1 . . . . 3 T CB . 16175 1 32 . 1 1 3 3 THR CG2 C 13 21.549 0.090 . 1 . . . . 3 T CG2 . 16175 1 33 . 1 1 3 3 THR N N 15 121.716 0.023 . 1 . . . . 3 T N . 16175 1 34 . 1 1 4 4 PRO HA H 1 4.679 0.013 . 1 . . . . 4 P HA . 16175 1 35 . 1 1 4 4 PRO HB2 H 1 2.413 0.010 . 2 . . . . 4 P HB2 . 16175 1 36 . 1 1 4 4 PRO HB3 H 1 1.722 0.018 . 2 . . . . 4 P HB3 . 16175 1 37 . 1 1 4 4 PRO HD2 H 1 3.695 0.015 . 2 . . . . 4 P HD2 . 16175 1 38 . 1 1 4 4 PRO HD3 H 1 4.022 0.015 . 2 . . . . 4 P HD3 . 16175 1 39 . 1 1 4 4 PRO HG2 H 1 2.104 0.013 . 2 . . . . 4 P HG2 . 16175 1 40 . 1 1 4 4 PRO HG3 H 1 2.178 0.017 . 2 . . . . 4 P HG3 . 16175 1 41 . 1 1 4 4 PRO C C 13 176.245 0.2 . 1 . . . . 4 P CO . 16175 1 42 . 1 1 4 4 PRO CA C 13 63.178 0.082 . 1 . . . . 4 P CA . 16175 1 43 . 1 1 4 4 PRO CB C 13 31.953 0.119 . 1 . . . . 4 P CB . 16175 1 44 . 1 1 4 4 PRO CD C 13 51.383 0.090 . 1 . . . . 4 P CD . 16175 1 45 . 1 1 4 4 PRO CG C 13 27.899 0.088 . 1 . . . . 4 P CG . 16175 1 46 . 1 1 5 5 ARG H H 1 9.358 0.017 . 1 . . . . 5 R H . 16175 1 47 . 1 1 5 5 ARG HA H 1 4.261 0.019 . 1 . . . . 5 R HA . 16175 1 48 . 1 1 5 5 ARG HB2 H 1 1.249 0.010 . 2 . . . . 5 R HB2 . 16175 1 49 . 1 1 5 5 ARG HB3 H 1 1.508 0.020 . 2 . . . . 5 R HB3 . 16175 1 50 . 1 1 5 5 ARG HD2 H 1 2.607 0.009 . 2 . . . . 5 R HD2 . 16175 1 51 . 1 1 5 5 ARG HD3 H 1 3.016 0.015 . 2 . . . . 5 R HD3 . 16175 1 52 . 1 1 5 5 ARG HG2 H 1 1.322 0.014 . 2 . . . . 5 R HG2 . 16175 1 53 . 1 1 5 5 ARG HG3 H 1 1.580 0.029 . 2 . . . . 5 R HG3 . 16175 1 54 . 1 1 5 5 ARG C C 13 175.669 0.2 . 1 . . . . 5 R CO . 16175 1 55 . 1 1 5 5 ARG CA C 13 56.677 0.115 . 1 . . . . 5 R CA . 16175 1 56 . 1 1 5 5 ARG CB C 13 29.753 0.074 . 1 . . . . 5 R CB . 16175 1 57 . 1 1 5 5 ARG CD C 13 43.882 0.105 . 1 . . . . 5 R CD . 16175 1 58 . 1 1 5 5 ARG CG C 13 28.289 0.061 . 1 . . . . 5 R CG . 16175 1 59 . 1 1 5 5 ARG N N 15 125.576 0.161 . 1 . . . . 5 R N . 16175 1 60 . 1 1 6 6 ARG H H 1 8.436 0.005 . 1 . . . . 6 R H . 16175 1 61 . 1 1 6 6 ARG HA H 1 5.017 0.013 . 1 . . . . 6 R HA . 16175 1 62 . 1 1 6 6 ARG HB2 H 1 1.926 0.009 . 2 . . . . 6 R HB2 . 16175 1 63 . 1 1 6 6 ARG HB3 H 1 1.623 0.012 . 2 . . . . 6 R HB3 . 16175 1 64 . 1 1 6 6 ARG HD2 H 1 3.025 0.014 . 2 . . . . 6 R HD2 . 16175 1 65 . 1 1 6 6 ARG HD3 H 1 3.545 0.013 . 2 . . . . 6 R HD3 . 16175 1 66 . 1 1 6 6 ARG HG2 H 1 1.157 0.014 . 2 . . . . 6 R HG2 . 16175 1 67 . 1 1 6 6 ARG HG3 H 1 1.714 0.012 . 2 . . . . 6 R HG3 . 16175 1 68 . 1 1 6 6 ARG C C 13 174.163 0.2 . 1 . . . . 6 R CO . 16175 1 69 . 1 1 6 6 ARG CA C 13 53.609 0.072 . 1 . . . . 6 R CA . 16175 1 70 . 1 1 6 6 ARG CB C 13 30.905 0.083 . 1 . . . . 6 R CB . 16175 1 71 . 1 1 6 6 ARG CD C 13 43.023 0.132 . 1 . . . . 6 R CD . 16175 1 72 . 1 1 6 6 ARG CG C 13 27.917 0.057 . 1 . . . . 6 R CG . 16175 1 73 . 1 1 6 6 ARG N N 15 130.759 0.065 . 1 . . . . 6 R N . 16175 1 74 . 1 1 7 7 ASP H H 1 9.553 0.012 . 1 . . . . 7 D H . 16175 1 75 . 1 1 7 7 ASP HA H 1 4.687 0.010 . 1 . . . . 7 D HA . 16175 1 76 . 1 1 7 7 ASP HB2 H 1 2.821 0.015 . 2 . . . . 7 D HB2 . 16175 1 77 . 1 1 7 7 ASP HB3 H 1 3.126 0.012 . 2 . . . . 7 D HB3 . 16175 1 78 . 1 1 7 7 ASP C C 13 174.909 0.2 . 1 . . . . 7 D CO . 16175 1 79 . 1 1 7 7 ASP CA C 13 53.250 0.126 . 1 . . . . 7 D CA . 16175 1 80 . 1 1 7 7 ASP CB C 13 41.264 0.102 . 1 . . . . 7 D CB . 16175 1 81 . 1 1 7 7 ASP N N 15 124.455 0.054 . 1 . . . . 7 D N . 16175 1 82 . 1 1 8 8 ALA H H 1 8.173 0.005 . 1 . . . . 8 A H . 16175 1 83 . 1 1 8 8 ALA HA H 1 4.045 0.009 . 1 . . . . 8 A HA . 16175 1 84 . 1 1 8 8 ALA HB1 H 1 1.380 0.011 . 1 . . . . 8 A HB . 16175 1 85 . 1 1 8 8 ALA HB2 H 1 1.380 0.011 . 1 . . . . 8 A HB . 16175 1 86 . 1 1 8 8 ALA HB3 H 1 1.380 0.011 . 1 . . . . 8 A HB . 16175 1 87 . 1 1 8 8 ALA C C 13 178.261 0.2 . 1 . . . . 8 A CO . 16175 1 88 . 1 1 8 8 ALA CA C 13 54.214 0.072 . 1 . . . . 8 A CA . 16175 1 89 . 1 1 8 8 ALA CB C 13 18.887 0.117 . 1 . . . . 8 A CB . 16175 1 90 . 1 1 8 8 ALA N N 15 117.742 0.082 . 1 . . . . 8 A N . 16175 1 91 . 1 1 9 9 GLU H H 1 8.431 0.004 . 1 . . . . 9 E H . 16175 1 92 . 1 1 9 9 GLU HA H 1 4.316 0.011 . 1 . . . . 9 E HA . 16175 1 93 . 1 1 9 9 GLU HB2 H 1 2.051 0.012 . 2 . . . . 9 E HB2 . 16175 1 94 . 1 1 9 9 GLU HB3 H 1 1.711 0.008 . 2 . . . . 9 E HB3 . 16175 1 95 . 1 1 9 9 GLU HG2 H 1 2.141 0.013 . 2 . . . . 9 E HG2 . 16175 1 96 . 1 1 9 9 GLU C C 13 175.216 0.2 . 1 . . . . 9 E CO . 16175 1 97 . 1 1 9 9 GLU CA C 13 56.049 0.074 . 1 . . . . 9 E CA . 16175 1 98 . 1 1 9 9 GLU CB C 13 32.177 0.079 . 1 . . . . 9 E CB . 16175 1 99 . 1 1 9 9 GLU CG C 13 37.074 0.077 . 1 . . . . 9 E CG . 16175 1 100 . 1 1 9 9 GLU N N 15 114.042 0.084 . 1 . . . . 9 E N . 16175 1 101 . 1 1 10 10 TYR H H 1 7.953 0.003 . 1 . . . . 10 Y H . 16175 1 102 . 1 1 10 10 TYR HA H 1 3.911 0.016 . 1 . . . . 10 Y HA . 16175 1 103 . 1 1 10 10 TYR HB2 H 1 2.611 0.010 . 2 . . . . 10 Y HB2 . 16175 1 104 . 1 1 10 10 TYR HB3 H 1 2.503 0.016 . 2 . . . . 10 Y HB3 . 16175 1 105 . 1 1 10 10 TYR HD1 H 1 7.138 0.016 . 3 . . . . 10 Y HD1 . 16175 1 106 . 1 1 10 10 TYR HE1 H 1 6.929 0.024 . 3 . . . . 10 Y HE1 . 16175 1 107 . 1 1 10 10 TYR CA C 13 57.082 0.106 . 1 . . . . 10 Y CA . 16175 1 108 . 1 1 10 10 TYR CB C 13 42.137 0.056 . 1 . . . . 10 Y CB . 16175 1 109 . 1 1 10 10 TYR N N 15 123.421 0.035 . 1 . . . . 10 Y N . 16175 1 110 . 1 1 11 11 PRO HB2 H 1 2.239 0.023 . 2 . . . . 11 P HB2 . 16175 1 111 . 1 1 11 11 PRO HD2 H 1 3.058 0.009 . 2 . . . . 11 P HD2 . 16175 1 112 . 1 1 11 11 PRO HD3 H 1 3.742 0.014 . 2 . . . . 11 P HD3 . 16175 1 113 . 1 1 11 11 PRO CD C 13 49.420 0.027 . 1 . . . . 11 P CD . 16175 1 114 . 1 1 12 12 PRO HA H 1 4.442 0.04 . 1 . . . . 12 P HA . 16175 1 115 . 1 1 12 12 PRO HB2 H 1 1.724 0.04 . 2 . . . . 12 P HB2 . 16175 1 116 . 1 1 12 12 PRO HB3 H 1 2.475 0.04 . 2 . . . . 12 P HB3 . 16175 1 117 . 1 1 13 13 PRO HA H 1 3.912 0.006 . 1 . . . . 13 P HA . 16175 1 118 . 1 1 13 13 PRO HB2 H 1 1.941 0.008 . 2 . . . . 13 P HB2 . 16175 1 119 . 1 1 13 13 PRO HB3 H 1 2.340 0.010 . 2 . . . . 13 P HB3 . 16175 1 120 . 1 1 13 13 PRO HD2 H 1 3.797 0.011 . 2 . . . . 13 P HD2 . 16175 1 121 . 1 1 13 13 PRO HD3 H 1 3.829 0.011 . 2 . . . . 13 P HD3 . 16175 1 122 . 1 1 13 13 PRO HG2 H 1 2.043 0.009 . 2 . . . . 13 P HG2 . 16175 1 123 . 1 1 13 13 PRO HG3 H 1 2.128 0.008 . 2 . . . . 13 P HG3 . 16175 1 124 . 1 1 13 13 PRO CA C 13 65.546 0.030 . 1 . . . . 13 P CA . 16175 1 125 . 1 1 13 13 PRO CB C 13 31.976 0.050 . 1 . . . . 13 P CB . 16175 1 126 . 1 1 13 13 PRO CD C 13 51.421 0.069 . 1 . . . . 13 P CD . 16175 1 127 . 1 1 14 14 GLU HA H 1 4.161 0.009 . 1 . . . . 14 E HA . 16175 1 128 . 1 1 14 14 GLU HB2 H 1 1.978 0.025 . 2 . . . . 14 E HB2 . 16175 1 129 . 1 1 14 14 GLU HB3 H 1 2.019 0.009 . 2 . . . . 14 E HB3 . 16175 1 130 . 1 1 14 14 GLU HG2 H 1 2.223 0.008 . 2 . . . . 14 E HG2 . 16175 1 131 . 1 1 14 14 GLU HG3 H 1 2.335 0.014 . 2 . . . . 14 E HG3 . 16175 1 132 . 1 1 14 14 GLU C C 13 179.223 0.2 . 1 . . . . 14 E CO . 16175 1 133 . 1 1 14 14 GLU CA C 13 59.008 0.087 . 1 . . . . 14 E CA . 16175 1 134 . 1 1 14 14 GLU CB C 13 27.854 0.242 . 1 . . . . 14 E CB . 16175 1 135 . 1 1 14 14 GLU CG C 13 35.837 0.131 . 1 . . . . 14 E CG . 16175 1 136 . 1 1 15 15 LEU H H 1 7.320 0.011 . 1 . . . . 15 L H . 16175 1 137 . 1 1 15 15 LEU HA H 1 4.409 0.028 . 1 . . . . 15 L HA . 16175 1 138 . 1 1 15 15 LEU HB2 H 1 1.960 0.013 . 2 . . . . 15 L HB2 . 16175 1 139 . 1 1 15 15 LEU HB3 H 1 1.297 0.015 . 2 . . . . 15 L HB3 . 16175 1 140 . 1 1 15 15 LEU HD11 H 1 1.021 0.011 . 2 . . . . 15 L HD1 . 16175 1 141 . 1 1 15 15 LEU HD12 H 1 1.021 0.011 . 2 . . . . 15 L HD1 . 16175 1 142 . 1 1 15 15 LEU HD13 H 1 1.021 0.011 . 2 . . . . 15 L HD1 . 16175 1 143 . 1 1 15 15 LEU HD21 H 1 1.004 0.014 . 2 . . . . 15 L HD2 . 16175 1 144 . 1 1 15 15 LEU HD22 H 1 1.004 0.014 . 2 . . . . 15 L HD2 . 16175 1 145 . 1 1 15 15 LEU HD23 H 1 1.004 0.014 . 2 . . . . 15 L HD2 . 16175 1 146 . 1 1 15 15 LEU HG H 1 1.600 0.017 . 1 . . . . 15 L HG . 16175 1 147 . 1 1 15 15 LEU C C 13 177.483 0.2 . 1 . . . . 15 L CO . 16175 1 148 . 1 1 15 15 LEU CA C 13 56.525 0.098 . 1 . . . . 15 L CA . 16175 1 149 . 1 1 15 15 LEU CB C 13 42.878 0.074 . 1 . . . . 15 L CB . 16175 1 150 . 1 1 15 15 LEU CD1 C 13 23.391 0.133 . 2 . . . . 15 L CD1 . 16175 1 151 . 1 1 15 15 LEU CD2 C 13 27.758 0.126 . 2 . . . . 15 L CD2 . 16175 1 152 . 1 1 15 15 LEU CG C 13 27.459 0.119 . 1 . . . . 15 L CG . 16175 1 153 . 1 1 15 15 LEU N N 15 122.979 0.036 . 1 . . . . 15 L N . 16175 1 154 . 1 1 16 16 LEU H H 1 7.494 0.004 . 1 . . . . 16 L H . 16175 1 155 . 1 1 16 16 LEU HA H 1 3.827 0.013 . 1 . . . . 16 L HA . 16175 1 156 . 1 1 16 16 LEU HB2 H 1 1.827 0.011 . 2 . . . . 16 L HB2 . 16175 1 157 . 1 1 16 16 LEU HB3 H 1 1.296 0.010 . 2 . . . . 16 L HB3 . 16175 1 158 . 1 1 16 16 LEU HD11 H 1 0.472 0.011 . 2 . . . . 16 L HD1 . 16175 1 159 . 1 1 16 16 LEU HD12 H 1 0.472 0.011 . 2 . . . . 16 L HD1 . 16175 1 160 . 1 1 16 16 LEU HD13 H 1 0.472 0.011 . 2 . . . . 16 L HD1 . 16175 1 161 . 1 1 16 16 LEU HD21 H 1 0.517 0.014 . 2 . . . . 16 L HD2 . 16175 1 162 . 1 1 16 16 LEU HD22 H 1 0.517 0.014 . 2 . . . . 16 L HD2 . 16175 1 163 . 1 1 16 16 LEU HD23 H 1 0.517 0.014 . 2 . . . . 16 L HD2 . 16175 1 164 . 1 1 16 16 LEU HG H 1 1.253 0.016 . 1 . . . . 16 L HG . 16175 1 165 . 1 1 16 16 LEU C C 13 180.068 0.2 . 1 . . . . 16 L CO . 16175 1 166 . 1 1 16 16 LEU CA C 13 58.362 0.067 . 1 . . . . 16 L CA . 16175 1 167 . 1 1 16 16 LEU CB C 13 40.579 0.101 . 1 . . . . 16 L CB . 16175 1 168 . 1 1 16 16 LEU CD1 C 13 22.627 0.074 . 2 . . . . 16 L CD1 . 16175 1 169 . 1 1 16 16 LEU CD2 C 13 25.110 0.066 . 2 . . . . 16 L CD2 . 16175 1 170 . 1 1 16 16 LEU CG C 13 26.180 0.074 . 1 . . . . 16 L CG . 16175 1 171 . 1 1 16 16 LEU N N 15 118.011 0.022 . 1 . . . . 16 L N . 16175 1 172 . 1 1 17 17 GLU H H 1 8.089 0.005 . 1 . . . . 17 E H . 16175 1 173 . 1 1 17 17 GLU HA H 1 3.950 0.012 . 1 . . . . 17 E HA . 16175 1 174 . 1 1 17 17 GLU HB2 H 1 1.981 0.008 . 2 . . . . 17 E HB2 . 16175 1 175 . 1 1 17 17 GLU HG2 H 1 2.256 0.016 . 2 . . . . 17 E HG2 . 16175 1 176 . 1 1 17 17 GLU C C 13 178.920 0.2 . 1 . . . . 17 E CO . 16175 1 177 . 1 1 17 17 GLU CA C 13 59.156 0.150 . 1 . . . . 17 E CA . 16175 1 178 . 1 1 17 17 GLU CB C 13 29.694 0.083 . 1 . . . . 17 E CB . 16175 1 179 . 1 1 17 17 GLU CG C 13 36.012 0.098 . 1 . . . . 17 E CG . 16175 1 180 . 1 1 17 17 GLU N N 15 116.974 0.098 . 1 . . . . 17 E N . 16175 1 181 . 1 1 18 18 ALA H H 1 7.272 0.005 . 1 . . . . 18 A H . 16175 1 182 . 1 1 18 18 ALA HA H 1 4.172 0.011 . 1 . . . . 18 A HA . 16175 1 183 . 1 1 18 18 ALA HB1 H 1 1.553 0.011 . 1 . . . . 18 A HB . 16175 1 184 . 1 1 18 18 ALA HB2 H 1 1.553 0.011 . 1 . . . . 18 A HB . 16175 1 185 . 1 1 18 18 ALA HB3 H 1 1.553 0.011 . 1 . . . . 18 A HB . 16175 1 186 . 1 1 18 18 ALA C C 13 179.464 0.2 . 1 . . . . 18 A CO . 16175 1 187 . 1 1 18 18 ALA CA C 13 54.365 0.064 . 1 . . . . 18 A CA . 16175 1 188 . 1 1 18 18 ALA CB C 13 18.609 0.158 . 1 . . . . 18 A CB . 16175 1 189 . 1 1 18 18 ALA N N 15 121.170 0.032 . 1 . . . . 18 A N . 16175 1 190 . 1 1 19 19 LEU H H 1 7.898 0.006 . 1 . . . . 19 L H . 16175 1 191 . 1 1 19 19 LEU HA H 1 4.201 0.010 . 1 . . . . 19 L HA . 16175 1 192 . 1 1 19 19 LEU HB2 H 1 1.871 0.011 . 2 . . . . 19 L HB2 . 16175 1 193 . 1 1 19 19 LEU HB3 H 1 1.402 0.015 . 2 . . . . 19 L HB3 . 16175 1 194 . 1 1 19 19 LEU HD11 H 1 0.849 0.013 . 2 . . . . 19 L HD1 . 16175 1 195 . 1 1 19 19 LEU HD12 H 1 0.849 0.013 . 2 . . . . 19 L HD1 . 16175 1 196 . 1 1 19 19 LEU HD13 H 1 0.849 0.013 . 2 . . . . 19 L HD1 . 16175 1 197 . 1 1 19 19 LEU HD21 H 1 0.857 0.010 . 2 . . . . 19 L HD2 . 16175 1 198 . 1 1 19 19 LEU HD22 H 1 0.857 0.010 . 2 . . . . 19 L HD2 . 16175 1 199 . 1 1 19 19 LEU HD23 H 1 0.857 0.010 . 2 . . . . 19 L HD2 . 16175 1 200 . 1 1 19 19 LEU HG H 1 1.873 0.019 . 1 . . . . 19 L HG . 16175 1 201 . 1 1 19 19 LEU C C 13 178.330 0.2 . 1 . . . . 19 L CO . 16175 1 202 . 1 1 19 19 LEU CA C 13 56.101 0.088 . 1 . . . . 19 L CA . 16175 1 203 . 1 1 19 19 LEU CB C 13 42.996 0.101 . 1 . . . . 19 L CB . 16175 1 204 . 1 1 19 19 LEU CD1 C 13 23.135 0.144 . 2 . . . . 19 L CD1 . 16175 1 205 . 1 1 19 19 LEU CD2 C 13 26.257 0.055 . 2 . . . . 19 L CD2 . 16175 1 206 . 1 1 19 19 LEU CG C 13 27.342 0.186 . 1 . . . . 19 L CG . 16175 1 207 . 1 1 19 19 LEU N N 15 114.096 0.096 . 1 . . . . 19 L N . 16175 1 208 . 1 1 20 20 LYS H H 1 7.458 0.009 . 1 . . . . 20 K H . 16175 1 209 . 1 1 20 20 LYS HA H 1 4.181 0.013 . 1 . . . . 20 K HA . 16175 1 210 . 1 1 20 20 LYS HB2 H 1 1.991 0.010 . 2 . . . . 20 K HB2 . 16175 1 211 . 1 1 20 20 LYS HB3 H 1 2.029 0.014 . 2 . . . . 20 K HB3 . 16175 1 212 . 1 1 20 20 LYS HD2 H 1 1.623 0.008 . 2 . . . . 20 K HD2 . 16175 1 213 . 1 1 20 20 LYS HE2 H 1 2.831 0.003 . 2 . . . . 20 K HE2 . 16175 1 214 . 1 1 20 20 LYS HE3 H 1 2.902 0.006 . 2 . . . . 20 K HE3 . 16175 1 215 . 1 1 20 20 LYS HG2 H 1 1.401 0.010 . 2 . . . . 20 K HG2 . 16175 1 216 . 1 1 20 20 LYS HG3 H 1 1.630 0.015 . 2 . . . . 20 K HG3 . 16175 1 217 . 1 1 20 20 LYS CA C 13 61.709 0.093 . 1 . . . . 20 K CA . 16175 1 218 . 1 1 20 20 LYS CB C 13 29.713 0.072 . 1 . . . . 20 K CB . 16175 1 219 . 1 1 20 20 LYS CD C 13 29.228 0.088 . 1 . . . . 20 K CD . 16175 1 220 . 1 1 20 20 LYS CG C 13 25.520 0.109 . 1 . . . . 20 K CG . 16175 1 221 . 1 1 20 20 LYS N N 15 121.428 0.054 . 1 . . . . 20 K N . 16175 1 222 . 1 1 21 21 PRO HA H 1 4.465 0.010 . 1 . . . . 21 P HA . 16175 1 223 . 1 1 21 21 PRO HB2 H 1 2.335 0.011 . 2 . . . . 21 P HB2 . 16175 1 224 . 1 1 21 21 PRO HB3 H 1 1.869 0.008 . 2 . . . . 21 P HB3 . 16175 1 225 . 1 1 21 21 PRO HD2 H 1 3.586 0.013 . 2 . . . . 21 P HD2 . 16175 1 226 . 1 1 21 21 PRO HD3 H 1 3.986 0.020 . 2 . . . . 21 P HD3 . 16175 1 227 . 1 1 21 21 PRO HG2 H 1 2.035 0.007 . 2 . . . . 21 P HG2 . 16175 1 228 . 1 1 21 21 PRO C C 13 179.576 0.2 . 1 . . . . 21 P CO . 16175 1 229 . 1 1 21 21 PRO CA C 13 65.521 0.079 . 1 . . . . 21 P CA . 16175 1 230 . 1 1 21 21 PRO CB C 13 31.021 0.212 . 1 . . . . 21 P CB . 16175 1 231 . 1 1 21 21 PRO CD C 13 50.055 0.107 . 1 . . . . 21 P CD . 16175 1 232 . 1 1 21 21 PRO CG C 13 28.434 0.082 . 1 . . . . 21 P CG . 16175 1 233 . 1 1 22 22 LEU H H 1 6.799 0.024 . 1 . . . . 22 L H . 16175 1 234 . 1 1 22 22 LEU HA H 1 4.035 0.010 . 1 . . . . 22 L HA . 16175 1 235 . 1 1 22 22 LEU HB2 H 1 1.949 0.017 . 2 . . . . 22 L HB2 . 16175 1 236 . 1 1 22 22 LEU HB3 H 1 1.344 0.012 . 2 . . . . 22 L HB3 . 16175 1 237 . 1 1 22 22 LEU HD11 H 1 0.813 0.012 . 2 . . . . 22 L HD1 . 16175 1 238 . 1 1 22 22 LEU HD12 H 1 0.813 0.012 . 2 . . . . 22 L HD1 . 16175 1 239 . 1 1 22 22 LEU HD13 H 1 0.813 0.012 . 2 . . . . 22 L HD1 . 16175 1 240 . 1 1 22 22 LEU HD21 H 1 0.950 0.009 . 2 . . . . 22 L HD2 . 16175 1 241 . 1 1 22 22 LEU HD22 H 1 0.950 0.009 . 2 . . . . 22 L HD2 . 16175 1 242 . 1 1 22 22 LEU HD23 H 1 0.950 0.009 . 2 . . . . 22 L HD2 . 16175 1 243 . 1 1 22 22 LEU HG H 1 1.886 0.012 . 1 . . . . 22 L HG . 16175 1 244 . 1 1 22 22 LEU C C 13 178.496 0.2 . 1 . . . . 22 L CO . 16175 1 245 . 1 1 22 22 LEU CA C 13 57.771 0.084 . 1 . . . . 22 L CA . 16175 1 246 . 1 1 22 22 LEU CB C 13 40.885 0.118 . 1 . . . . 22 L CB . 16175 1 247 . 1 1 22 22 LEU CD1 C 13 22.974 0.093 . 2 . . . . 22 L CD1 . 16175 1 248 . 1 1 22 22 LEU CD2 C 13 25.475 0.060 . 2 . . . . 22 L CD2 . 16175 1 249 . 1 1 22 22 LEU CG C 13 27.801 0.073 . 1 . . . . 22 L CG . 16175 1 250 . 1 1 22 22 LEU N N 15 116.863 0.029 . 1 . . . . 22 L N . 16175 1 251 . 1 1 23 23 HIS H H 1 8.683 0.022 . 1 . . . . 23 H H . 16175 1 252 . 1 1 23 23 HIS HA H 1 4.621 0.011 . 1 . . . . 23 H HA . 16175 1 253 . 1 1 23 23 HIS HB2 H 1 3.253 0.012 . 2 . . . . 23 H HB2 . 16175 1 254 . 1 1 23 23 HIS HB3 H 1 3.767 0.018 . 2 . . . . 23 H HB3 . 16175 1 255 . 1 1 23 23 HIS HD2 H 1 7.545 0.006 . 1 . . . . 23 H HD2 . 16175 1 256 . 1 1 23 23 HIS HE1 H 1 8.203 0.006 . 1 . . . . 23 H HE1 . 16175 1 257 . 1 1 23 23 HIS C C 13 177.273 0.2 . 1 . . . . 23 H CO . 16175 1 258 . 1 1 23 23 HIS CA C 13 59.230 0.221 . 1 . . . . 23 H CA . 16175 1 259 . 1 1 23 23 HIS CB C 13 27.672 0.148 . 1 . . . . 23 H CB . 16175 1 260 . 1 1 23 23 HIS CD2 C 13 119.208 0.2 . 1 . . . . 23 H CD2 . 16175 1 261 . 1 1 23 23 HIS N N 15 119.530 0.093 . 1 . . . . 23 H N . 16175 1 262 . 1 1 24 24 ASP H H 1 8.102 0.012 . 1 . . . . 24 D H . 16175 1 263 . 1 1 24 24 ASP HA H 1 4.261 0.015 . 1 . . . . 24 D HA . 16175 1 264 . 1 1 24 24 ASP HB2 H 1 2.716 0.011 . 2 . . . . 24 D HB2 . 16175 1 265 . 1 1 24 24 ASP HB3 H 1 2.757 0.019 . 2 . . . . 24 D HB3 . 16175 1 266 . 1 1 24 24 ASP C C 13 179.147 0.2 . 1 . . . . 24 D CO . 16175 1 267 . 1 1 24 24 ASP CA C 13 58.135 0.088 . 1 . . . . 24 D CA . 16175 1 268 . 1 1 24 24 ASP CB C 13 40.271 0.373 . 1 . . . . 24 D CB . 16175 1 269 . 1 1 24 24 ASP N N 15 119.314 0.052 . 1 . . . . 24 D N . 16175 1 270 . 1 1 25 25 ILE H H 1 7.632 0.006 . 1 . . . . 25 I H . 16175 1 271 . 1 1 25 25 ILE HA H 1 3.736 0.010 . 1 . . . . 25 I HA . 16175 1 272 . 1 1 25 25 ILE HB H 1 1.774 0.009 . 1 . . . . 25 I HB . 16175 1 273 . 1 1 25 25 ILE HD11 H 1 0.848 0.010 . 1 . . . . 25 I HD1 . 16175 1 274 . 1 1 25 25 ILE HD12 H 1 0.848 0.010 . 1 . . . . 25 I HD1 . 16175 1 275 . 1 1 25 25 ILE HD13 H 1 0.848 0.010 . 1 . . . . 25 I HD1 . 16175 1 276 . 1 1 25 25 ILE HG12 H 1 1.101 0.010 . 2 . . . . 25 I HG12 . 16175 1 277 . 1 1 25 25 ILE HG13 H 1 1.756 0.010 . 2 . . . . 25 I HG13 . 16175 1 278 . 1 1 25 25 ILE HG21 H 1 0.821 0.015 . 1 . . . . 25 I HG2 . 16175 1 279 . 1 1 25 25 ILE HG22 H 1 0.821 0.015 . 1 . . . . 25 I HG2 . 16175 1 280 . 1 1 25 25 ILE HG23 H 1 0.821 0.015 . 1 . . . . 25 I HG2 . 16175 1 281 . 1 1 25 25 ILE C C 13 179.275 0.2 . 1 . . . . 25 I CO . 16175 1 282 . 1 1 25 25 ILE CA C 13 64.681 0.063 . 1 . . . . 25 I CA . 16175 1 283 . 1 1 25 25 ILE CB C 13 39.564 0.074 . 1 . . . . 25 I CB . 16175 1 284 . 1 1 25 25 ILE CD1 C 13 13.596 0.082 . 1 . . . . 25 I CD1 . 16175 1 285 . 1 1 25 25 ILE CG1 C 13 29.192 0.079 . 1 . . . . 25 I CG1 . 16175 1 286 . 1 1 25 25 ILE CG2 C 13 16.965 0.089 . 1 . . . . 25 I CG2 . 16175 1 287 . 1 1 25 25 ILE N N 15 118.893 0.031 . 1 . . . . 25 I N . 16175 1 288 . 1 1 26 26 CYS H H 1 8.593 0.006 . 1 . . . . 26 C H . 16175 1 289 . 1 1 26 26 CYS HA H 1 4.592 0.012 . 1 . . . . 26 C HA . 16175 1 290 . 1 1 26 26 CYS HB2 H 1 2.859 0.016 . 2 . . . . 26 C HB2 . 16175 1 291 . 1 1 26 26 CYS HB3 H 1 2.621 0.017 . 2 . . . . 26 C HB3 . 16175 1 292 . 1 1 26 26 CYS C C 13 178.506 0.2 . 1 . . . . 26 C CO . 16175 1 293 . 1 1 26 26 CYS CA C 13 57.641 0.106 . 1 . . . . 26 C CA . 16175 1 294 . 1 1 26 26 CYS CB C 13 38.805 0.112 . 1 . . . . 26 C CB . 16175 1 295 . 1 1 26 26 CYS N N 15 117.730 0.055 . 1 . . . . 26 C N . 16175 1 296 . 1 1 27 27 ALA H H 1 10.063 0.003 . 1 . . . . 27 A H . 16175 1 297 . 1 1 27 27 ALA HA H 1 4.051 0.011 . 1 . . . . 27 A HA . 16175 1 298 . 1 1 27 27 ALA HB1 H 1 1.104 0.010 . 1 . . . . 27 A HB . 16175 1 299 . 1 1 27 27 ALA HB2 H 1 1.104 0.010 . 1 . . . . 27 A HB . 16175 1 300 . 1 1 27 27 ALA HB3 H 1 1.104 0.010 . 1 . . . . 27 A HB . 16175 1 301 . 1 1 27 27 ALA C C 13 180.089 0.2 . 1 . . . . 27 A CO . 16175 1 302 . 1 1 27 27 ALA CA C 13 56.091 0.081 . 1 . . . . 27 A CA . 16175 1 303 . 1 1 27 27 ALA CB C 13 16.916 0.104 . 1 . . . . 27 A CB . 16175 1 304 . 1 1 27 27 ALA N N 15 129.784 0.050 . 1 . . . . 27 A N . 16175 1 305 . 1 1 28 28 LYS H H 1 7.234 0.004 . 1 . . . . 28 K H . 16175 1 306 . 1 1 28 28 LYS HA H 1 4.067 0.008 . 1 . . . . 28 K HA . 16175 1 307 . 1 1 28 28 LYS HB2 H 1 1.931 0.010 . 2 . . . . 28 K HB2 . 16175 1 308 . 1 1 28 28 LYS HB3 H 1 2.111 0.010 . 2 . . . . 28 K HB3 . 16175 1 309 . 1 1 28 28 LYS HD2 H 1 1.654 0.010 . 2 . . . . 28 K HD2 . 16175 1 310 . 1 1 28 28 LYS HD3 H 1 1.827 0.012 . 2 . . . . 28 K HD3 . 16175 1 311 . 1 1 28 28 LYS HE2 H 1 2.471 0.04 . 2 . . . . 28 K HE2 . 16175 1 312 . 1 1 28 28 LYS HE3 H 1 2.943 0.007 . 2 . . . . 28 K HE3 . 16175 1 313 . 1 1 28 28 LYS HG2 H 1 1.439 0.018 . 2 . . . . 28 K HG2 . 16175 1 314 . 1 1 28 28 LYS HG3 H 1 1.531 0.004 . 2 . . . . 28 K HG3 . 16175 1 315 . 1 1 28 28 LYS C C 13 179.028 0.2 . 1 . . . . 28 K CO . 16175 1 316 . 1 1 28 28 LYS CA C 13 59.061 0.150 . 1 . . . . 28 K CA . 16175 1 317 . 1 1 28 28 LYS CB C 13 32.074 0.067 . 1 . . . . 28 K CB . 16175 1 318 . 1 1 28 28 LYS CD C 13 29.061 0.087 . 1 . . . . 28 K CD . 16175 1 319 . 1 1 28 28 LYS CE C 13 41.986 0.082 . 1 . . . . 28 K CE . 16175 1 320 . 1 1 28 28 LYS CG C 13 25.171 0.083 . 1 . . . . 28 K CG . 16175 1 321 . 1 1 28 28 LYS N N 15 119.174 0.025 . 1 . . . . 28 K N . 16175 1 322 . 1 1 29 29 LYS H H 1 7.755 0.006 . 1 . . . . 29 K H . 16175 1 323 . 1 1 29 29 LYS HA H 1 4.073 0.009 . 1 . . . . 29 K HA . 16175 1 324 . 1 1 29 29 LYS HB2 H 1 1.919 0.014 . 2 . . . . 29 K HB2 . 16175 1 325 . 1 1 29 29 LYS HB3 H 1 1.940 0.010 . 2 . . . . 29 K HB3 . 16175 1 326 . 1 1 29 29 LYS HD2 H 1 1.608 0.011 . 2 . . . . 29 K HD2 . 16175 1 327 . 1 1 29 29 LYS HE2 H 1 2.834 0.012 . 2 . . . . 29 K HE2 . 16175 1 328 . 1 1 29 29 LYS HG2 H 1 1.403 0.012 . 2 . . . . 29 K HG2 . 16175 1 329 . 1 1 29 29 LYS HG3 H 1 1.613 0.011 . 2 . . . . 29 K HG3 . 16175 1 330 . 1 1 29 29 LYS C C 13 178.259 0.2 . 1 . . . . 29 K CO . 16175 1 331 . 1 1 29 29 LYS CA C 13 59.652 0.140 . 1 . . . . 29 K CA . 16175 1 332 . 1 1 29 29 LYS CB C 13 33.947 0.104 . 1 . . . . 29 K CB . 16175 1 333 . 1 1 29 29 LYS CD C 13 29.766 0.103 . 1 . . . . 29 K CD . 16175 1 334 . 1 1 29 29 LYS CE C 13 41.763 0.134 . 1 . . . . 29 K CE . 16175 1 335 . 1 1 29 29 LYS CG C 13 25.815 0.087 . 1 . . . . 29 K CG . 16175 1 336 . 1 1 29 29 LYS N N 15 115.950 0.051 . 1 . . . . 29 K N . 16175 1 337 . 1 1 30 30 THR H H 1 7.567 0.006 . 1 . . . . 30 T H . 16175 1 338 . 1 1 30 30 THR HA H 1 4.377 0.020 . 1 . . . . 30 T HA . 16175 1 339 . 1 1 30 30 THR HB H 1 4.236 0.013 . 1 . . . . 30 T HB . 16175 1 340 . 1 1 30 30 THR HG21 H 1 1.117 0.009 . 1 . . . . 30 T HG2 . 16175 1 341 . 1 1 30 30 THR HG22 H 1 1.117 0.009 . 1 . . . . 30 T HG2 . 16175 1 342 . 1 1 30 30 THR HG23 H 1 1.117 0.009 . 1 . . . . 30 T HG2 . 16175 1 343 . 1 1 30 30 THR C C 13 176.343 0.2 . 1 . . . . 30 T CO . 16175 1 344 . 1 1 30 30 THR CA C 13 62.773 0.103 . 1 . . . . 30 T CA . 16175 1 345 . 1 1 30 30 THR CB C 13 72.181 0.164 . 1 . . . . 30 T CB . 16175 1 346 . 1 1 30 30 THR CG2 C 13 20.406 0.067 . 1 . . . . 30 T CG2 . 16175 1 347 . 1 1 30 30 THR N N 15 103.800 0.215 . 1 . . . . 30 T N . 16175 1 348 . 1 1 31 31 GLY H H 1 8.049 0.003 . 1 . . . . 31 G H . 16175 1 349 . 1 1 31 31 GLY HA2 H 1 4.043 0.007 . 2 . . . . 31 G HA2 . 16175 1 350 . 1 1 31 31 GLY HA3 H 1 3.816 0.009 . 2 . . . . 31 G HA3 . 16175 1 351 . 1 1 31 31 GLY C C 13 173.750 0.2 . 1 . . . . 31 G CO . 16175 1 352 . 1 1 31 31 GLY CA C 13 45.995 0.107 . 1 . . . . 31 G CA . 16175 1 353 . 1 1 31 31 GLY N N 15 110.181 0.015 . 1 . . . . 31 G N . 16175 1 354 . 1 1 32 32 VAL H H 1 6.904 0.005 . 1 . . . . 32 V H . 16175 1 355 . 1 1 32 32 VAL HA H 1 4.021 0.012 . 1 . . . . 32 V HA . 16175 1 356 . 1 1 32 32 VAL HB H 1 1.618 0.021 . 1 . . . . 32 V HB . 16175 1 357 . 1 1 32 32 VAL HG11 H 1 0.251 0.012 . 2 . . . . 32 V HG1 . 16175 1 358 . 1 1 32 32 VAL HG12 H 1 0.251 0.012 . 2 . . . . 32 V HG1 . 16175 1 359 . 1 1 32 32 VAL HG13 H 1 0.251 0.012 . 2 . . . . 32 V HG1 . 16175 1 360 . 1 1 32 32 VAL HG21 H 1 0.891 0.009 . 2 . . . . 32 V HG2 . 16175 1 361 . 1 1 32 32 VAL HG22 H 1 0.891 0.009 . 2 . . . . 32 V HG2 . 16175 1 362 . 1 1 32 32 VAL HG23 H 1 0.891 0.009 . 2 . . . . 32 V HG2 . 16175 1 363 . 1 1 32 32 VAL C C 13 173.140 0.2 . 1 . . . . 32 V CO . 16175 1 364 . 1 1 32 32 VAL CA C 13 60.660 0.095 . 1 . . . . 32 V CA . 16175 1 365 . 1 1 32 32 VAL CB C 13 31.946 0.114 . 1 . . . . 32 V CB . 16175 1 366 . 1 1 32 32 VAL CG1 C 13 20.535 0.079 . 2 . . . . 32 V CG1 . 16175 1 367 . 1 1 32 32 VAL CG2 C 13 21.893 0.073 . 2 . . . . 32 V CG2 . 16175 1 368 . 1 1 32 32 VAL N N 15 119.377 0.030 . 1 . . . . 32 V N . 16175 1 369 . 1 1 33 33 THR H H 1 8.157 0.007 . 1 . . . . 33 T H . 16175 1 370 . 1 1 33 33 THR HA H 1 4.458 0.014 . 1 . . . . 33 T HA . 16175 1 371 . 1 1 33 33 THR HB H 1 4.677 0.013 . 1 . . . . 33 T HB . 16175 1 372 . 1 1 33 33 THR HG21 H 1 1.292 0.009 . 1 . . . . 33 T HG2 . 16175 1 373 . 1 1 33 33 THR HG22 H 1 1.292 0.009 . 1 . . . . 33 T HG2 . 16175 1 374 . 1 1 33 33 THR HG23 H 1 1.292 0.009 . 1 . . . . 33 T HG2 . 16175 1 375 . 1 1 33 33 THR C C 13 175.359 0.2 . 1 . . . . 33 T CO . 16175 1 376 . 1 1 33 33 THR CA C 13 60.222 0.119 . 1 . . . . 33 T CA . 16175 1 377 . 1 1 33 33 THR CB C 13 70.702 0.131 . 1 . . . . 33 T CB . 16175 1 378 . 1 1 33 33 THR CG2 C 13 22.040 0.080 . 1 . . . . 33 T CG2 . 16175 1 379 . 1 1 33 33 THR N N 15 117.669 0.036 . 1 . . . . 33 T N . 16175 1 380 . 1 1 34 34 ASP H H 1 8.754 0.003 . 1 . . . . 34 D H . 16175 1 381 . 1 1 34 34 ASP HA H 1 4.316 0.010 . 1 . . . . 34 D HA . 16175 1 382 . 1 1 34 34 ASP HB2 H 1 2.496 0.011 . 2 . . . . 34 D HB2 . 16175 1 383 . 1 1 34 34 ASP HB3 H 1 2.681 0.012 . 2 . . . . 34 D HB3 . 16175 1 384 . 1 1 34 34 ASP C C 13 179.066 0.2 . 1 . . . . 34 D CO . 16175 1 385 . 1 1 34 34 ASP CA C 13 57.077 0.203 . 1 . . . . 34 D CA . 16175 1 386 . 1 1 34 34 ASP CB C 13 40.144 0.281 . 1 . . . . 34 D CB . 16175 1 387 . 1 1 34 34 ASP N N 15 122.071 0.023 . 1 . . . . 34 D N . 16175 1 388 . 1 1 35 35 GLU H H 1 8.892 0.006 . 1 . . . . 35 E H . 16175 1 389 . 1 1 35 35 GLU HA H 1 3.881 0.014 . 1 . . . . 35 E HA . 16175 1 390 . 1 1 35 35 GLU HB2 H 1 2.016 0.019 . 2 . . . . 35 E HB2 . 16175 1 391 . 1 1 35 35 GLU HB3 H 1 1.870 0.009 . 2 . . . . 35 E HB3 . 16175 1 392 . 1 1 35 35 GLU HG2 H 1 2.212 0.014 . 2 . . . . 35 E HG2 . 16175 1 393 . 1 1 35 35 GLU HG3 H 1 2.380 0.008 . 2 . . . . 35 E HG3 . 16175 1 394 . 1 1 35 35 GLU C C 13 178.462 0.2 . 1 . . . . 35 E CO . 16175 1 395 . 1 1 35 35 GLU CA C 13 60.286 0.078 . 1 . . . . 35 E CA . 16175 1 396 . 1 1 35 35 GLU CB C 13 28.756 0.197 . 1 . . . . 35 E CB . 16175 1 397 . 1 1 35 35 GLU CG C 13 37.075 0.092 . 1 . . . . 35 E CG . 16175 1 398 . 1 1 35 35 GLU N N 15 118.091 0.017 . 1 . . . . 35 E N . 16175 1 399 . 1 1 36 36 ALA H H 1 7.763 0.004 . 1 . . . . 36 A H . 16175 1 400 . 1 1 36 36 ALA HA H 1 4.201 0.012 . 1 . . . . 36 A HA . 16175 1 401 . 1 1 36 36 ALA HB1 H 1 1.512 0.013 . 1 . . . . 36 A HB . 16175 1 402 . 1 1 36 36 ALA HB2 H 1 1.512 0.013 . 1 . . . . 36 A HB . 16175 1 403 . 1 1 36 36 ALA HB3 H 1 1.512 0.013 . 1 . . . . 36 A HB . 16175 1 404 . 1 1 36 36 ALA C C 13 180.848 0.2 . 1 . . . . 36 A CO . 16175 1 405 . 1 1 36 36 ALA CA C 13 54.892 0.082 . 1 . . . . 36 A CA . 16175 1 406 . 1 1 36 36 ALA CB C 13 19.453 0.129 . 1 . . . . 36 A CB . 16175 1 407 . 1 1 36 36 ALA N N 15 121.863 0.023 . 1 . . . . 36 A N . 16175 1 408 . 1 1 37 37 ILE H H 1 7.113 0.006 . 1 . . . . 37 I H . 16175 1 409 . 1 1 37 37 ILE HA H 1 3.438 0.011 . 1 . . . . 37 I HA . 16175 1 410 . 1 1 37 37 ILE HB H 1 1.836 0.014 . 1 . . . . 37 I HB . 16175 1 411 . 1 1 37 37 ILE HD11 H 1 0.215 0.016 . 1 . . . . 37 I HD1 . 16175 1 412 . 1 1 37 37 ILE HD12 H 1 0.215 0.016 . 1 . . . . 37 I HD1 . 16175 1 413 . 1 1 37 37 ILE HD13 H 1 0.215 0.016 . 1 . . . . 37 I HD1 . 16175 1 414 . 1 1 37 37 ILE HG12 H 1 1.470 0.013 . 2 . . . . 37 I HG12 . 16175 1 415 . 1 1 37 37 ILE HG13 H 1 0.199 0.014 . 2 . . . . 37 I HG13 . 16175 1 416 . 1 1 37 37 ILE HG21 H 1 0.718 0.017 . 1 . . . . 37 I HG2 . 16175 1 417 . 1 1 37 37 ILE HG22 H 1 0.718 0.017 . 1 . . . . 37 I HG2 . 16175 1 418 . 1 1 37 37 ILE HG23 H 1 0.718 0.017 . 1 . . . . 37 I HG2 . 16175 1 419 . 1 1 37 37 ILE C C 13 176.981 0.2 . 1 . . . . 37 I CO . 16175 1 420 . 1 1 37 37 ILE CA C 13 65.718 0.064 . 1 . . . . 37 I CA . 16175 1 421 . 1 1 37 37 ILE CB C 13 38.984 0.133 . 1 . . . . 37 I CB . 16175 1 422 . 1 1 37 37 ILE CD1 C 13 14.027 0.108 . 1 . . . . 37 I CD1 . 16175 1 423 . 1 1 37 37 ILE CG1 C 13 29.472 0.119 . 1 . . . . 37 I CG1 . 16175 1 424 . 1 1 37 37 ILE CG2 C 13 16.656 0.108 . 1 . . . . 37 I CG2 . 16175 1 425 . 1 1 37 37 ILE N N 15 119.283 0.025 . 1 . . . . 37 I N . 16175 1 426 . 1 1 38 38 ILE H H 1 8.145 0.008 . 1 . . . . 38 I H . 16175 1 427 . 1 1 38 38 ILE HA H 1 3.907 0.011 . 1 . . . . 38 I HA . 16175 1 428 . 1 1 38 38 ILE HB H 1 1.690 0.013 . 1 . . . . 38 I HB . 16175 1 429 . 1 1 38 38 ILE HD11 H 1 0.798 0.011 . 1 . . . . 38 I HD1 . 16175 1 430 . 1 1 38 38 ILE HD12 H 1 0.798 0.011 . 1 . . . . 38 I HD1 . 16175 1 431 . 1 1 38 38 ILE HD13 H 1 0.798 0.011 . 1 . . . . 38 I HD1 . 16175 1 432 . 1 1 38 38 ILE HG12 H 1 1.607 0.008 . 2 . . . . 38 I HG12 . 16175 1 433 . 1 1 38 38 ILE HG13 H 1 1.169 0.009 . 2 . . . . 38 I HG13 . 16175 1 434 . 1 1 38 38 ILE HG21 H 1 0.940 0.007 . 1 . . . . 38 I HG2 . 16175 1 435 . 1 1 38 38 ILE HG22 H 1 0.940 0.007 . 1 . . . . 38 I HG2 . 16175 1 436 . 1 1 38 38 ILE HG23 H 1 0.940 0.007 . 1 . . . . 38 I HG2 . 16175 1 437 . 1 1 38 38 ILE C C 13 178.262 0.2 . 1 . . . . 38 I CO . 16175 1 438 . 1 1 38 38 ILE CA C 13 64.413 0.072 . 1 . . . . 38 I CA . 16175 1 439 . 1 1 38 38 ILE CB C 13 38.591 0.087 . 1 . . . . 38 I CB . 16175 1 440 . 1 1 38 38 ILE CD1 C 13 13.600 0.072 . 1 . . . . 38 I CD1 . 16175 1 441 . 1 1 38 38 ILE CG1 C 13 29.528 0.092 . 1 . . . . 38 I CG1 . 16175 1 442 . 1 1 38 38 ILE CG2 C 13 17.250 0.126 . 1 . . . . 38 I CG2 . 16175 1 443 . 1 1 38 38 ILE N N 15 119.668 0.093 . 1 . . . . 38 I N . 16175 1 444 . 1 1 39 39 GLU H H 1 8.070 0.004 . 1 . . . . 39 E H . 16175 1 445 . 1 1 39 39 GLU HA H 1 4.058 0.010 . 1 . . . . 39 E HA . 16175 1 446 . 1 1 39 39 GLU HB2 H 1 2.091 0.020 . 2 . . . . 39 E HB2 . 16175 1 447 . 1 1 39 39 GLU HB3 H 1 1.806 0.017 . 2 . . . . 39 E HB3 . 16175 1 448 . 1 1 39 39 GLU HG2 H 1 2.125 0.012 . 2 . . . . 39 E HG2 . 16175 1 449 . 1 1 39 39 GLU HG3 H 1 2.476 0.014 . 2 . . . . 39 E HG3 . 16175 1 450 . 1 1 39 39 GLU C C 13 177.531 0.2 . 1 . . . . 39 E CO . 16175 1 451 . 1 1 39 39 GLU CA C 13 59.057 0.129 . 1 . . . . 39 E CA . 16175 1 452 . 1 1 39 39 GLU CB C 13 29.361 0.142 . 1 . . . . 39 E CB . 16175 1 453 . 1 1 39 39 GLU CG C 13 35.341 0.071 . 1 . . . . 39 E CG . 16175 1 454 . 1 1 39 39 GLU N N 15 119.247 0.023 . 1 . . . . 39 E N . 16175 1 455 . 1 1 40 40 PHE H H 1 7.627 0.003 . 1 . . . . 40 F H . 16175 1 456 . 1 1 40 40 PHE HA H 1 3.937 0.011 . 1 . . . . 40 F HA . 16175 1 457 . 1 1 40 40 PHE HB2 H 1 3.139 0.011 . 2 . . . . 40 F HB2 . 16175 1 458 . 1 1 40 40 PHE HB3 H 1 2.975 0.016 . 2 . . . . 40 F HB3 . 16175 1 459 . 1 1 40 40 PHE HD1 H 1 7.153 0.012 . 3 . . . . 40 F HD1 . 16175 1 460 . 1 1 40 40 PHE HE1 H 1 7.288 0.010 . 3 . . . . 40 F HE1 . 16175 1 461 . 1 1 40 40 PHE HZ H 1 6.368 0.022 . 1 . . . . 40 F HZ . 16175 1 462 . 1 1 40 40 PHE C C 13 177.157 0.2 . 1 . . . . 40 F CO . 16175 1 463 . 1 1 40 40 PHE CA C 13 61.796 0.093 . 1 . . . . 40 F CA . 16175 1 464 . 1 1 40 40 PHE CB C 13 40.617 0.101 . 1 . . . . 40 F CB . 16175 1 465 . 1 1 40 40 PHE CE1 C 13 131.959 0.135 . 3 . . . . 40 F CE1 . 16175 1 466 . 1 1 40 40 PHE CZ C 13 127.765 0.009 . 1 . . . . 40 F CZ . 16175 1 467 . 1 1 40 40 PHE N N 15 117.025 0.072 . 1 . . . . 40 F N . 16175 1 468 . 1 1 41 41 SER H H 1 8.750 0.005 . 1 . . . . 41 S H . 16175 1 469 . 1 1 41 41 SER HA H 1 4.230 0.012 . 1 . . . . 41 S HA . 16175 1 470 . 1 1 41 41 SER HB2 H 1 4.237 0.017 . 2 . . . . 41 S HB2 . 16175 1 471 . 1 1 41 41 SER HB3 H 1 4.416 0.012 . 2 . . . . 41 S HB3 . 16175 1 472 . 1 1 41 41 SER C C 13 176.759 0.2 . 1 . . . . 41 S CO . 16175 1 473 . 1 1 41 41 SER CA C 13 62.049 0.131 . 1 . . . . 41 S CA . 16175 1 474 . 1 1 41 41 SER CB C 13 64.104 0.134 . 1 . . . . 41 S CB . 16175 1 475 . 1 1 41 41 SER N N 15 109.951 0.066 . 1 . . . . 41 S N . 16175 1 476 . 1 1 42 42 ASP H H 1 8.410 0.011 . 1 . . . . 42 D H . 16175 1 477 . 1 1 42 42 ASP HA H 1 4.739 0.019 . 1 . . . . 42 D HA . 16175 1 478 . 1 1 42 42 ASP HB2 H 1 2.640 0.018 . 2 . . . . 42 D HB2 . 16175 1 479 . 1 1 42 42 ASP HB3 H 1 2.771 0.014 . 2 . . . . 42 D HB3 . 16175 1 480 . 1 1 42 42 ASP C C 13 177.186 0.2 . 1 . . . . 42 D CO . 16175 1 481 . 1 1 42 42 ASP CA C 13 54.675 0.146 . 1 . . . . 42 D CA . 16175 1 482 . 1 1 42 42 ASP CB C 13 41.688 0.025 . 1 . . . . 42 D CB . 16175 1 483 . 1 1 42 42 ASP N N 15 112.747 0.017 . 1 . . . . 42 D N . 16175 1 484 . 1 1 43 43 GLY H H 1 8.176 0.005 . 1 . . . . 43 G H . 16175 1 485 . 1 1 43 43 GLY HA2 H 1 4.340 0.010 . 2 . . . . 43 G HA2 . 16175 1 486 . 1 1 43 43 GLY HA3 H 1 3.685 0.009 . 2 . . . . 43 G HA3 . 16175 1 487 . 1 1 43 43 GLY C C 13 174.700 0.2 . 1 . . . . 43 G CO . 16175 1 488 . 1 1 43 43 GLY CA C 13 45.789 0.085 . 1 . . . . 43 G CA . 16175 1 489 . 1 1 43 43 GLY N N 15 114.150 0.085 . 1 . . . . 43 G N . 16175 1 490 . 1 1 44 44 LYS H H 1 8.885 0.007 . 1 . . . . 44 K H . 16175 1 491 . 1 1 44 44 LYS HA H 1 4.234 0.008 . 1 . . . . 44 K HA . 16175 1 492 . 1 1 44 44 LYS HB2 H 1 1.685 0.010 . 2 . . . . 44 K HB2 . 16175 1 493 . 1 1 44 44 LYS HD2 H 1 1.622 0.008 . 2 . . . . 44 K HD2 . 16175 1 494 . 1 1 44 44 LYS HE2 H 1 2.927 0.008 . 2 . . . . 44 K HE2 . 16175 1 495 . 1 1 44 44 LYS HG2 H 1 1.406 0.008 . 2 . . . . 44 K HG2 . 16175 1 496 . 1 1 44 44 LYS C C 13 175.562 0.2 . 1 . . . . 44 K CO . 16175 1 497 . 1 1 44 44 LYS CA C 13 55.370 0.097 . 1 . . . . 44 K CA . 16175 1 498 . 1 1 44 44 LYS CB C 13 33.815 0.082 . 1 . . . . 44 K CB . 16175 1 499 . 1 1 44 44 LYS CD C 13 29.082 0.041 . 1 . . . . 44 K CD . 16175 1 500 . 1 1 44 44 LYS CE C 13 41.883 0.183 . 1 . . . . 44 K CE . 16175 1 501 . 1 1 44 44 LYS CG C 13 24.811 0.104 . 1 . . . . 44 K CG . 16175 1 502 . 1 1 44 44 LYS N N 15 127.583 0.052 . 1 . . . . 44 K N . 16175 1 503 . 1 1 45 45 ILE H H 1 7.852 0.003 . 1 . . . . 45 I H . 16175 1 504 . 1 1 45 45 ILE HA H 1 3.107 0.012 . 1 . . . . 45 I HA . 16175 1 505 . 1 1 45 45 ILE HB H 1 1.497 0.010 . 1 . . . . 45 I HB . 16175 1 506 . 1 1 45 45 ILE HD11 H 1 0.698 0.016 . 1 . . . . 45 I HD1 . 16175 1 507 . 1 1 45 45 ILE HD12 H 1 0.698 0.016 . 1 . . . . 45 I HD1 . 16175 1 508 . 1 1 45 45 ILE HD13 H 1 0.698 0.016 . 1 . . . . 45 I HD1 . 16175 1 509 . 1 1 45 45 ILE HG12 H 1 1.304 0.009 . 2 . . . . 45 I HG12 . 16175 1 510 . 1 1 45 45 ILE HG13 H 1 0.448 0.023 . 2 . . . . 45 I HG13 . 16175 1 511 . 1 1 45 45 ILE HG21 H 1 0.819 0.011 . 1 . . . . 45 I HG2 . 16175 1 512 . 1 1 45 45 ILE HG22 H 1 0.819 0.011 . 1 . . . . 45 I HG2 . 16175 1 513 . 1 1 45 45 ILE HG23 H 1 0.819 0.011 . 1 . . . . 45 I HG2 . 16175 1 514 . 1 1 45 45 ILE C C 13 175.114 0.2 . 1 . . . . 45 I CO . 16175 1 515 . 1 1 45 45 ILE CA C 13 63.565 0.065 . 1 . . . . 45 I CA . 16175 1 516 . 1 1 45 45 ILE CB C 13 38.390 0.081 . 1 . . . . 45 I CB . 16175 1 517 . 1 1 45 45 ILE CD1 C 13 13.961 0.078 . 1 . . . . 45 I CD1 . 16175 1 518 . 1 1 45 45 ILE CG1 C 13 29.580 0.082 . 1 . . . . 45 I CG1 . 16175 1 519 . 1 1 45 45 ILE CG2 C 13 17.338 0.088 . 1 . . . . 45 I CG2 . 16175 1 520 . 1 1 45 45 ILE N N 15 118.053 0.064 . 1 . . . . 45 I N . 16175 1 521 . 1 1 46 46 HIS H H 1 7.327 0.026 . 1 . . . . 46 H H . 16175 1 522 . 1 1 46 46 HIS HA H 1 4.844 0.008 . 1 . . . . 46 H HA . 16175 1 523 . 1 1 46 46 HIS HB2 H 1 3.084 0.020 . 2 . . . . 46 H HB2 . 16175 1 524 . 1 1 46 46 HIS HB3 H 1 3.133 0.008 . 2 . . . . 46 H HB3 . 16175 1 525 . 1 1 46 46 HIS HD2 H 1 7.166 0.008 . 1 . . . . 46 H HD2 . 16175 1 526 . 1 1 46 46 HIS HE1 H 1 7.541 0.015 . 1 . . . . 46 H HE1 . 16175 1 527 . 1 1 46 46 HIS HE2 H 1 10.341 0.007 . 1 . . . . 46 H HE2 . 16175 1 528 . 1 1 46 46 HIS C C 13 172.941 0.2 . 1 . . . . 46 H CO . 16175 1 529 . 1 1 46 46 HIS CA C 13 54.208 0.107 . 1 . . . . 46 H CA . 16175 1 530 . 1 1 46 46 HIS CB C 13 33.320 0.087 . 1 . . . . 46 H CB . 16175 1 531 . 1 1 46 46 HIS CD2 C 13 118.482 0.2 . 1 . . . . 46 H CD2 . 16175 1 532 . 1 1 46 46 HIS CE1 C 13 137.665 0.2 . 1 . . . . 46 H CE1 . 16175 1 533 . 1 1 46 46 HIS N N 15 123.923 0.064 . 1 . . . . 46 H N . 16175 1 534 . 1 1 46 46 HIS NE2 N 15 170.726 0.001 . 1 . . . . 46 H NE2 . 16175 1 535 . 1 1 47 47 GLU H H 1 8.454 0.007 . 1 . . . . 47 E H . 16175 1 536 . 1 1 47 47 GLU HA H 1 4.025 0.008 . 1 . . . . 47 E HA . 16175 1 537 . 1 1 47 47 GLU HB2 H 1 1.919 0.005 . 2 . . . . 47 E HB2 . 16175 1 538 . 1 1 47 47 GLU HB3 H 1 1.720 0.010 . 2 . . . . 47 E HB3 . 16175 1 539 . 1 1 47 47 GLU HG2 H 1 1.922 0.009 . 2 . . . . 47 E HG2 . 16175 1 540 . 1 1 47 47 GLU HG3 H 1 2.069 0.012 . 2 . . . . 47 E HG3 . 16175 1 541 . 1 1 47 47 GLU C C 13 174.790 0.2 . 1 . . . . 47 E CO . 16175 1 542 . 1 1 47 47 GLU CA C 13 55.772 0.070 . 1 . . . . 47 E CA . 16175 1 543 . 1 1 47 47 GLU CB C 13 29.849 0.053 . 1 . . . . 47 E CB . 16175 1 544 . 1 1 47 47 GLU CG C 13 36.786 0.117 . 1 . . . . 47 E CG . 16175 1 545 . 1 1 47 47 GLU N N 15 117.573 0.070 . 1 . . . . 47 E N . 16175 1 546 . 1 1 48 48 ASP H H 1 7.067 0.007 . 1 . . . . 48 D H . 16175 1 547 . 1 1 48 48 ASP HA H 1 4.488 0.015 . 1 . . . . 48 D HA . 16175 1 548 . 1 1 48 48 ASP HB2 H 1 2.932 0.011 . 2 . . . . 48 D HB2 . 16175 1 549 . 1 1 48 48 ASP HB3 H 1 2.492 0.011 . 2 . . . . 48 D HB3 . 16175 1 550 . 1 1 48 48 ASP C C 13 176.517 0.2 . 1 . . . . 48 D CO . 16175 1 551 . 1 1 48 48 ASP CA C 13 54.770 0.132 . 1 . . . . 48 D CA . 16175 1 552 . 1 1 48 48 ASP CB C 13 43.852 0.103 . 1 . . . . 48 D CB . 16175 1 553 . 1 1 48 48 ASP N N 15 122.181 0.028 . 1 . . . . 48 D N . 16175 1 554 . 1 1 49 49 GLU H H 1 8.928 0.006 . 1 . . . . 49 E H . 16175 1 555 . 1 1 49 49 GLU HA H 1 3.649 0.012 . 1 . . . . 49 E HA . 16175 1 556 . 1 1 49 49 GLU HB2 H 1 2.001 0.021 . 2 . . . . 49 E HB2 . 16175 1 557 . 1 1 49 49 GLU HB3 H 1 2.056 0.012 . 2 . . . . 49 E HB3 . 16175 1 558 . 1 1 49 49 GLU HG2 H 1 2.322 0.016 . 2 . . . . 49 E HG2 . 16175 1 559 . 1 1 49 49 GLU C C 13 179.344 0.2 . 1 . . . . 49 E CO . 16175 1 560 . 1 1 49 49 GLU CA C 13 60.004 0.124 . 1 . . . . 49 E CA . 16175 1 561 . 1 1 49 49 GLU CB C 13 29.751 0.135 . 1 . . . . 49 E CB . 16175 1 562 . 1 1 49 49 GLU CG C 13 35.925 0.061 . 1 . . . . 49 E CG . 16175 1 563 . 1 1 49 49 GLU N N 15 126.220 0.026 . 1 . . . . 49 E N . 16175 1 564 . 1 1 50 50 LYS H H 1 8.070 0.004 . 1 . . . . 50 K H . 16175 1 565 . 1 1 50 50 LYS HA H 1 4.084 0.012 . 1 . . . . 50 K HA . 16175 1 566 . 1 1 50 50 LYS HB2 H 1 1.462 0.012 . 2 . . . . 50 K HB2 . 16175 1 567 . 1 1 50 50 LYS HB3 H 1 1.940 0.012 . 2 . . . . 50 K HB3 . 16175 1 568 . 1 1 50 50 LYS HD2 H 1 1.619 0.012 . 2 . . . . 50 K HD2 . 16175 1 569 . 1 1 50 50 LYS HD3 H 1 1.731 0.004 . 2 . . . . 50 K HD3 . 16175 1 570 . 1 1 50 50 LYS HE2 H 1 3.021 0.010 . 2 . . . . 50 K HE2 . 16175 1 571 . 1 1 50 50 LYS HG2 H 1 1.401 0.003 . 2 . . . . 50 K HG2 . 16175 1 572 . 1 1 50 50 LYS HG3 H 1 1.583 0.003 . 2 . . . . 50 K HG3 . 16175 1 573 . 1 1 50 50 LYS C C 13 179.083 0.2 . 1 . . . . 50 K CO . 16175 1 574 . 1 1 50 50 LYS CA C 13 59.629 0.162 . 1 . . . . 50 K CA . 16175 1 575 . 1 1 50 50 LYS CB C 13 30.862 0.081 . 1 . . . . 50 K CB . 16175 1 576 . 1 1 50 50 LYS CE C 13 42.650 0.061 . 1 . . . . 50 K CE . 16175 1 577 . 1 1 50 50 LYS CG C 13 25.778 0.305 . 1 . . . . 50 K CG . 16175 1 578 . 1 1 50 50 LYS N N 15 119.281 0.037 . 1 . . . . 50 K N . 16175 1 579 . 1 1 51 51 LEU H H 1 8.053 0.010 . 1 . . . . 51 L H . 16175 1 580 . 1 1 51 51 LEU HA H 1 3.905 0.010 . 1 . . . . 51 L HA . 16175 1 581 . 1 1 51 51 LEU HB2 H 1 2.238 0.009 . 2 . . . . 51 L HB2 . 16175 1 582 . 1 1 51 51 LEU HB3 H 1 1.143 0.015 . 2 . . . . 51 L HB3 . 16175 1 583 . 1 1 51 51 LEU HD11 H 1 0.533 0.013 . 2 . . . . 51 L HD1 . 16175 1 584 . 1 1 51 51 LEU HD12 H 1 0.533 0.013 . 2 . . . . 51 L HD1 . 16175 1 585 . 1 1 51 51 LEU HD13 H 1 0.533 0.013 . 2 . . . . 51 L HD1 . 16175 1 586 . 1 1 51 51 LEU HD21 H 1 0.684 0.012 . 2 . . . . 51 L HD2 . 16175 1 587 . 1 1 51 51 LEU HD22 H 1 0.684 0.012 . 2 . . . . 51 L HD2 . 16175 1 588 . 1 1 51 51 LEU HD23 H 1 0.684 0.012 . 2 . . . . 51 L HD2 . 16175 1 589 . 1 1 51 51 LEU HG H 1 1.341 0.018 . 1 . . . . 51 L HG . 16175 1 590 . 1 1 51 51 LEU C C 13 178.084 0.2 . 1 . . . . 51 L CO . 16175 1 591 . 1 1 51 51 LEU CA C 13 57.449 0.119 . 1 . . . . 51 L CA . 16175 1 592 . 1 1 51 51 LEU CB C 13 41.869 0.111 . 1 . . . . 51 L CB . 16175 1 593 . 1 1 51 51 LEU CD1 C 13 27.204 0.073 . 2 . . . . 51 L CD1 . 16175 1 594 . 1 1 51 51 LEU CD2 C 13 24.657 0.052 . 2 . . . . 51 L CD2 . 16175 1 595 . 1 1 51 51 LEU CG C 13 26.472 0.182 . 1 . . . . 51 L CG . 16175 1 596 . 1 1 51 51 LEU N N 15 121.394 0.041 . 1 . . . . 51 L N . 16175 1 597 . 1 1 52 52 LYS H H 1 7.668 0.006 . 1 . . . . 52 K H . 16175 1 598 . 1 1 52 52 LYS HA H 1 4.153 0.013 . 1 . . . . 52 K HA . 16175 1 599 . 1 1 52 52 LYS HB2 H 1 1.663 0.009 . 2 . . . . 52 K HB2 . 16175 1 600 . 1 1 52 52 LYS HB3 H 1 1.879 0.014 . 2 . . . . 52 K HB3 . 16175 1 601 . 1 1 52 52 LYS C C 13 178.732 0.2 . 1 . . . . 52 K CO . 16175 1 602 . 1 1 52 52 LYS CA C 13 60.309 0.132 . 1 . . . . 52 K CA . 16175 1 603 . 1 1 52 52 LYS CB C 13 31.894 0.103 . 1 . . . . 52 K CB . 16175 1 604 . 1 1 52 52 LYS N N 15 116.012 0.020 . 1 . . . . 52 K N . 16175 1 605 . 1 1 53 53 CYS H H 1 7.405 0.016 . 1 . . . . 53 C H . 16175 1 606 . 1 1 53 53 CYS HA H 1 4.988 0.007 . 1 . . . . 53 C HA . 16175 1 607 . 1 1 53 53 CYS HB2 H 1 3.013 0.014 . 2 . . . . 53 C HB2 . 16175 1 608 . 1 1 53 53 CYS C C 13 178.972 0.2 . 1 . . . . 53 C CO . 16175 1 609 . 1 1 53 53 CYS CA C 13 54.583 0.104 . 1 . . . . 53 C CA . 16175 1 610 . 1 1 53 53 CYS CB C 13 36.765 0.069 . 1 . . . . 53 C CB . 16175 1 611 . 1 1 53 53 CYS N N 15 113.116 0.025 . 1 . . . . 53 C N . 16175 1 612 . 1 1 54 54 TYR H H 1 9.354 0.007 . 1 . . . . 54 Y H . 16175 1 613 . 1 1 54 54 TYR HA H 1 3.869 0.016 . 1 . . . . 54 Y HA . 16175 1 614 . 1 1 54 54 TYR HB2 H 1 3.377 0.015 . 2 . . . . 54 Y HB2 . 16175 1 615 . 1 1 54 54 TYR HB3 H 1 3.128 0.014 . 2 . . . . 54 Y HB3 . 16175 1 616 . 1 1 54 54 TYR HD1 H 1 6.287 0.009 . 3 . . . . 54 Y HD1 . 16175 1 617 . 1 1 54 54 TYR HE1 H 1 6.510 0.013 . 3 . . . . 54 Y HE1 . 16175 1 618 . 1 1 54 54 TYR C C 13 176.027 0.2 . 1 . . . . 54 Y CO . 16175 1 619 . 1 1 54 54 TYR CA C 13 63.201 0.066 . 1 . . . . 54 Y CA . 16175 1 620 . 1 1 54 54 TYR CB C 13 37.117 0.144 . 1 . . . . 54 Y CB . 16175 1 621 . 1 1 54 54 TYR CD1 C 13 132.801 0.010 . 3 . . . . 54 Y CD1 . 16175 1 622 . 1 1 54 54 TYR CE1 C 13 117.785 0.2 . 3 . . . . 54 Y CE1 . 16175 1 623 . 1 1 54 54 TYR N N 15 130.820 0.020 . 1 . . . . 54 Y N . 16175 1 624 . 1 1 55 55 MET H H 1 8.426 0.009 . 1 . . . . 55 M H . 16175 1 625 . 1 1 55 55 MET HA H 1 3.232 0.010 . 1 . . . . 55 M HA . 16175 1 626 . 1 1 55 55 MET HB2 H 1 1.522 0.010 . 2 . . . . 55 M HB2 . 16175 1 627 . 1 1 55 55 MET HB3 H 1 2.227 0.009 . 2 . . . . 55 M HB3 . 16175 1 628 . 1 1 55 55 MET HE1 H 1 0.689 0.006 . 1 . . . . 55 M HE . 16175 1 629 . 1 1 55 55 MET HE2 H 1 0.689 0.006 . 1 . . . . 55 M HE . 16175 1 630 . 1 1 55 55 MET HE3 H 1 0.689 0.006 . 1 . . . . 55 M HE . 16175 1 631 . 1 1 55 55 MET HG2 H 1 0.880 0.013 . 2 . . . . 55 M HG2 . 16175 1 632 . 1 1 55 55 MET HG3 H 1 2.539 0.010 . 2 . . . . 55 M HG3 . 16175 1 633 . 1 1 55 55 MET C C 13 178.511 0.2 . 1 . . . . 55 M CO . 16175 1 634 . 1 1 55 55 MET CA C 13 59.462 0.067 . 1 . . . . 55 M CA . 16175 1 635 . 1 1 55 55 MET CB C 13 31.266 0.295 . 1 . . . . 55 M CB . 16175 1 636 . 1 1 55 55 MET CE C 13 17.902 0.048 . 1 . . . . 55 M CE . 16175 1 637 . 1 1 55 55 MET CG C 13 33.293 0.121 . 1 . . . . 55 M CG . 16175 1 638 . 1 1 55 55 MET N N 15 118.323 0.053 . 1 . . . . 55 M N . 16175 1 639 . 1 1 56 56 ASN H H 1 7.427 0.012 . 1 . . . . 56 N H . 16175 1 640 . 1 1 56 56 ASN HA H 1 4.555 0.014 . 1 . . . . 56 N HA . 16175 1 641 . 1 1 56 56 ASN HB2 H 1 2.918 0.021 . 2 . . . . 56 N HB2 . 16175 1 642 . 1 1 56 56 ASN HB3 H 1 2.798 0.012 . 2 . . . . 56 N HB3 . 16175 1 643 . 1 1 56 56 ASN HD21 H 1 6.329 0.018 . 2 . . . . 56 N HD21 . 16175 1 644 . 1 1 56 56 ASN HD22 H 1 7.668 0.007 . 2 . . . . 56 N HD22 . 16175 1 645 . 1 1 56 56 ASN C C 13 175.390 0.2 . 1 . . . . 56 N CO . 16175 1 646 . 1 1 56 56 ASN CA C 13 57.626 0.117 . 1 . . . . 56 N CA . 16175 1 647 . 1 1 56 56 ASN CB C 13 40.209 0.090 . 1 . . . . 56 N CB . 16175 1 648 . 1 1 56 56 ASN CG C 13 171.887 0.023 . 1 . . . . 56 N CG . 16175 1 649 . 1 1 56 56 ASN N N 15 116.307 0.096 . 1 . . . . 56 N N . 16175 1 650 . 1 1 56 56 ASN ND2 N 15 114.294 0.148 . 1 . . . . 56 N ND2 . 16175 1 651 . 1 1 57 57 CYS H H 1 8.321 0.012 . 1 . . . . 57 C H . 16175 1 652 . 1 1 57 57 CYS HA H 1 4.268 0.009 . 1 . . . . 57 C HA . 16175 1 653 . 1 1 57 57 CYS HB2 H 1 3.246 0.016 . 2 . . . . 57 C HB2 . 16175 1 654 . 1 1 57 57 CYS HB3 H 1 3.007 0.015 . 2 . . . . 57 C HB3 . 16175 1 655 . 1 1 57 57 CYS C C 13 175.830 0.2 . 1 . . . . 57 C CO . 16175 1 656 . 1 1 57 57 CYS CA C 13 59.934 0.088 . 1 . . . . 57 C CA . 16175 1 657 . 1 1 57 57 CYS CB C 13 36.686 0.117 . 1 . . . . 57 C CB . 16175 1 658 . 1 1 57 57 CYS N N 15 120.495 0.060 . 1 . . . . 57 C N . 16175 1 659 . 1 1 58 58 LEU H H 1 8.033 0.018 . 1 . . . . 58 L H . 16175 1 660 . 1 1 58 58 LEU HA H 1 3.620 0.010 . 1 . . . . 58 L HA . 16175 1 661 . 1 1 58 58 LEU HB2 H 1 1.529 0.017 . 2 . . . . 58 L HB2 . 16175 1 662 . 1 1 58 58 LEU HB3 H 1 0.930 0.012 . 2 . . . . 58 L HB3 . 16175 1 663 . 1 1 58 58 LEU HD11 H 1 0.464 0.010 . 2 . . . . 58 L HD1 . 16175 1 664 . 1 1 58 58 LEU HD12 H 1 0.464 0.010 . 2 . . . . 58 L HD1 . 16175 1 665 . 1 1 58 58 LEU HD13 H 1 0.464 0.010 . 2 . . . . 58 L HD1 . 16175 1 666 . 1 1 58 58 LEU HD21 H 1 0.583 0.010 . 2 . . . . 58 L HD2 . 16175 1 667 . 1 1 58 58 LEU HD22 H 1 0.583 0.010 . 2 . . . . 58 L HD2 . 16175 1 668 . 1 1 58 58 LEU HD23 H 1 0.583 0.010 . 2 . . . . 58 L HD2 . 16175 1 669 . 1 1 58 58 LEU HG H 1 0.942 0.004 . 1 . . . . 58 L HG . 16175 1 670 . 1 1 58 58 LEU C C 13 179.129 0.2 . 1 . . . . 58 L CO . 16175 1 671 . 1 1 58 58 LEU CA C 13 58.720 0.102 . 1 . . . . 58 L CA . 16175 1 672 . 1 1 58 58 LEU CB C 13 42.427 0.094 . 1 . . . . 58 L CB . 16175 1 673 . 1 1 58 58 LEU CD1 C 13 22.661 0.083 . 2 . . . . 58 L CD1 . 16175 1 674 . 1 1 58 58 LEU CD2 C 13 25.807 0.064 . 2 . . . . 58 L CD2 . 16175 1 675 . 1 1 58 58 LEU CG C 13 25.900 0.207 . 1 . . . . 58 L CG . 16175 1 676 . 1 1 58 58 LEU N N 15 120.497 0.041 . 1 . . . . 58 L N . 16175 1 677 . 1 1 59 59 PHE H H 1 6.874 0.006 . 1 . . . . 59 F H . 16175 1 678 . 1 1 59 59 PHE HA H 1 4.400 0.013 . 1 . . . . 59 F HA . 16175 1 679 . 1 1 59 59 PHE HB2 H 1 3.293 0.011 . 2 . . . . 59 F HB2 . 16175 1 680 . 1 1 59 59 PHE HB3 H 1 2.913 0.012 . 2 . . . . 59 F HB3 . 16175 1 681 . 1 1 59 59 PHE HD1 H 1 7.362 0.014 . 3 . . . . 59 F HD1 . 16175 1 682 . 1 1 59 59 PHE HE1 H 1 6.972 0.012 . 3 . . . . 59 F HE1 . 16175 1 683 . 1 1 59 59 PHE HZ H 1 7.475 0.009 . 1 . . . . 59 F HZ . 16175 1 684 . 1 1 59 59 PHE C C 13 177.777 0.2 . 1 . . . . 59 F CO . 16175 1 685 . 1 1 59 59 PHE CA C 13 59.074 0.085 . 1 . . . . 59 F CA . 16175 1 686 . 1 1 59 59 PHE CB C 13 37.927 0.108 . 1 . . . . 59 F CB . 16175 1 687 . 1 1 59 59 PHE CD1 C 13 132.584 0.2 . 3 . . . . 59 F CD1 . 16175 1 688 . 1 1 59 59 PHE N N 15 112.713 0.067 . 1 . . . . 59 F N . 16175 1 689 . 1 1 60 60 HIS H H 1 7.948 0.018 . 1 . . . . 60 H H . 16175 1 690 . 1 1 60 60 HIS HA H 1 3.971 0.014 . 1 . . . . 60 H HA . 16175 1 691 . 1 1 60 60 HIS HB2 H 1 3.204 0.019 . 2 . . . . 60 H HB2 . 16175 1 692 . 1 1 60 60 HIS HB3 H 1 3.284 0.021 . 2 . . . . 60 H HB3 . 16175 1 693 . 1 1 60 60 HIS HD2 H 1 7.102 0.019 . 1 . . . . 60 H HD2 . 16175 1 694 . 1 1 60 60 HIS HE1 H 1 7.914 0.009 . 1 . . . . 60 H HE1 . 16175 1 695 . 1 1 60 60 HIS C C 13 180.486 0.2 . 1 . . . . 60 H CO . 16175 1 696 . 1 1 60 60 HIS CA C 13 61.340 0.095 . 1 . . . . 60 H CA . 16175 1 697 . 1 1 60 60 HIS CB C 13 30.317 0.139 . 1 . . . . 60 H CB . 16175 1 698 . 1 1 60 60 HIS CD2 C 13 118.343 0.2 . 1 . . . . 60 H CD2 . 16175 1 699 . 1 1 60 60 HIS CE1 C 13 138.579 0.2 . 1 . . . . 60 H CE1 . 16175 1 700 . 1 1 60 60 HIS N N 15 117.667 0.048 . 1 . . . . 60 H N . 16175 1 701 . 1 1 61 61 GLU H H 1 9.387 0.007 . 1 . . . . 61 E H . 16175 1 702 . 1 1 61 61 GLU HA H 1 4.088 0.021 . 1 . . . . 61 E HA . 16175 1 703 . 1 1 61 61 GLU HB2 H 1 1.763 0.012 . 2 . . . . 61 E HB2 . 16175 1 704 . 1 1 61 61 GLU HB3 H 1 2.255 0.017 . 2 . . . . 61 E HB3 . 16175 1 705 . 1 1 61 61 GLU HG2 H 1 2.550 0.014 . 2 . . . . 61 E HG2 . 16175 1 706 . 1 1 61 61 GLU HG3 H 1 2.297 0.016 . 2 . . . . 61 E HG3 . 16175 1 707 . 1 1 61 61 GLU C C 13 178.125 0.2 . 1 . . . . 61 E CO . 16175 1 708 . 1 1 61 61 GLU CA C 13 58.253 0.102 . 1 . . . . 61 E CA . 16175 1 709 . 1 1 61 61 GLU CB C 13 29.519 0.201 . 1 . . . . 61 E CB . 16175 1 710 . 1 1 61 61 GLU CG C 13 36.978 0.069 . 1 . . . . 61 E CG . 16175 1 711 . 1 1 61 61 GLU N N 15 120.174 0.027 . 1 . . . . 61 E N . 16175 1 712 . 1 1 62 62 ALA H H 1 8.031 0.011 . 1 . . . . 62 A H . 16175 1 713 . 1 1 62 62 ALA HA H 1 4.211 0.009 . 1 . . . . 62 A HA . 16175 1 714 . 1 1 62 62 ALA HB1 H 1 1.489 0.017 . 1 . . . . 62 A HB . 16175 1 715 . 1 1 62 62 ALA HB2 H 1 1.489 0.017 . 1 . . . . 62 A HB . 16175 1 716 . 1 1 62 62 ALA HB3 H 1 1.489 0.017 . 1 . . . . 62 A HB . 16175 1 717 . 1 1 62 62 ALA C C 13 175.335 0.2 . 1 . . . . 62 A CO . 16175 1 718 . 1 1 62 62 ALA CA C 13 52.323 0.069 . 1 . . . . 62 A CA . 16175 1 719 . 1 1 62 62 ALA CB C 13 19.373 0.076 . 1 . . . . 62 A CB . 16175 1 720 . 1 1 62 62 ALA N N 15 119.076 0.115 . 1 . . . . 62 A N . 16175 1 721 . 1 1 63 63 LYS H H 1 7.732 0.004 . 1 . . . . 63 K H . 16175 1 722 . 1 1 63 63 LYS HA H 1 3.894 0.010 . 1 . . . . 63 K HA . 16175 1 723 . 1 1 63 63 LYS HB2 H 1 2.200 0.015 . 2 . . . . 63 K HB2 . 16175 1 724 . 1 1 63 63 LYS HB3 H 1 1.869 0.014 . 2 . . . . 63 K HB3 . 16175 1 725 . 1 1 63 63 LYS HD2 H 1 1.614 0.026 . 2 . . . . 63 K HD2 . 16175 1 726 . 1 1 63 63 LYS HD3 H 1 1.719 0.007 . 2 . . . . 63 K HD3 . 16175 1 727 . 1 1 63 63 LYS HE2 H 1 2.985 0.014 . 2 . . . . 63 K HE2 . 16175 1 728 . 1 1 63 63 LYS HG2 H 1 1.283 0.009 . 2 . . . . 63 K HG2 . 16175 1 729 . 1 1 63 63 LYS HG3 H 1 1.335 0.020 . 2 . . . . 63 K HG3 . 16175 1 730 . 1 1 63 63 LYS C C 13 176.867 0.2 . 1 . . . . 63 K CO . 16175 1 731 . 1 1 63 63 LYS CA C 13 57.088 0.079 . 1 . . . . 63 K CA . 16175 1 732 . 1 1 63 63 LYS CB C 13 28.226 0.168 . 1 . . . . 63 K CB . 16175 1 733 . 1 1 63 63 LYS CD C 13 28.861 0.082 . 1 . . . . 63 K CD . 16175 1 734 . 1 1 63 63 LYS CE C 13 42.269 0.146 . 1 . . . . 63 K CE . 16175 1 735 . 1 1 63 63 LYS CG C 13 24.587 0.082 . 1 . . . . 63 K CG . 16175 1 736 . 1 1 63 63 LYS N N 15 111.141 0.126 . 1 . . . . 63 K N . 16175 1 737 . 1 1 64 64 VAL H H 1 7.557 0.007 . 1 . . . . 64 V H . 16175 1 738 . 1 1 64 64 VAL HA H 1 4.658 0.012 . 1 . . . . 64 V HA . 16175 1 739 . 1 1 64 64 VAL HB H 1 2.471 0.010 . 1 . . . . 64 V HB . 16175 1 740 . 1 1 64 64 VAL HG11 H 1 0.778 0.013 . 2 . . . . 64 V HG1 . 16175 1 741 . 1 1 64 64 VAL HG12 H 1 0.778 0.013 . 2 . . . . 64 V HG1 . 16175 1 742 . 1 1 64 64 VAL HG13 H 1 0.778 0.013 . 2 . . . . 64 V HG1 . 16175 1 743 . 1 1 64 64 VAL HG21 H 1 1.143 0.010 . 2 . . . . 64 V HG2 . 16175 1 744 . 1 1 64 64 VAL HG22 H 1 1.143 0.010 . 2 . . . . 64 V HG2 . 16175 1 745 . 1 1 64 64 VAL HG23 H 1 1.143 0.010 . 2 . . . . 64 V HG2 . 16175 1 746 . 1 1 64 64 VAL C C 13 173.589 0.2 . 1 . . . . 64 V CO . 16175 1 747 . 1 1 64 64 VAL CA C 13 59.167 0.192 . 1 . . . . 64 V CA . 16175 1 748 . 1 1 64 64 VAL CB C 13 30.469 0.080 . 1 . . . . 64 V CB . 16175 1 749 . 1 1 64 64 VAL CG1 C 13 21.312 0.271 . 2 . . . . 64 V CG1 . 16175 1 750 . 1 1 64 64 VAL CG2 C 13 20.122 0.075 . 2 . . . . 64 V CG2 . 16175 1 751 . 1 1 64 64 VAL N N 15 108.571 0.055 . 1 . . . . 64 V N . 16175 1 752 . 1 1 65 65 VAL H H 1 6.887 0.008 . 1 . . . . 65 V H . 16175 1 753 . 1 1 65 65 VAL HA H 1 5.068 0.009 . 1 . . . . 65 V HA . 16175 1 754 . 1 1 65 65 VAL HB H 1 1.548 0.012 . 1 . . . . 65 V HB . 16175 1 755 . 1 1 65 65 VAL HG11 H 1 0.224 0.039 . 2 . . . . 65 V HG1 . 16175 1 756 . 1 1 65 65 VAL HG12 H 1 0.224 0.039 . 2 . . . . 65 V HG1 . 16175 1 757 . 1 1 65 65 VAL HG13 H 1 0.224 0.039 . 2 . . . . 65 V HG1 . 16175 1 758 . 1 1 65 65 VAL HG21 H 1 0.453 0.014 . 2 . . . . 65 V HG2 . 16175 1 759 . 1 1 65 65 VAL HG22 H 1 0.453 0.014 . 2 . . . . 65 V HG2 . 16175 1 760 . 1 1 65 65 VAL HG23 H 1 0.453 0.014 . 2 . . . . 65 V HG2 . 16175 1 761 . 1 1 65 65 VAL C C 13 176.485 0.2 . 1 . . . . 65 V CO . 16175 1 762 . 1 1 65 65 VAL CA C 13 57.924 0.103 . 1 . . . . 65 V CA . 16175 1 763 . 1 1 65 65 VAL CB C 13 34.867 0.081 . 1 . . . . 65 V CB . 16175 1 764 . 1 1 65 65 VAL CG1 C 13 21.619 0.061 . 2 . . . . 65 V CG1 . 16175 1 765 . 1 1 65 65 VAL CG2 C 13 18.013 0.075 . 2 . . . . 65 V CG2 . 16175 1 766 . 1 1 65 65 VAL N N 15 108.473 0.095 . 1 . . . . 65 V N . 16175 1 767 . 1 1 66 66 ASP H H 1 8.934 0.013 . 1 . . . . 66 D H . 16175 1 768 . 1 1 66 66 ASP HA H 1 4.697 0.013 . 1 . . . . 66 D HA . 16175 1 769 . 1 1 66 66 ASP HB2 H 1 3.350 0.013 . 2 . . . . 66 D HB2 . 16175 1 770 . 1 1 66 66 ASP HB3 H 1 2.466 0.012 . 2 . . . . 66 D HB3 . 16175 1 771 . 1 1 66 66 ASP C C 13 177.933 0.2 . 1 . . . . 66 D CO . 16175 1 772 . 1 1 66 66 ASP CA C 13 51.958 0.203 . 1 . . . . 66 D CA . 16175 1 773 . 1 1 66 66 ASP CB C 13 41.359 0.097 . 1 . . . . 66 D CB . 16175 1 774 . 1 1 66 66 ASP N N 15 122.552 0.042 . 1 . . . . 66 D N . 16175 1 775 . 1 1 67 67 ASP H H 1 8.365 0.011 . 1 . . . . 67 D H . 16175 1 776 . 1 1 67 67 ASP HA H 1 4.322 0.006 . 1 . . . . 67 D HA . 16175 1 777 . 1 1 67 67 ASP HB2 H 1 2.694 0.008 . 2 . . . . 67 D HB2 . 16175 1 778 . 1 1 67 67 ASP HB3 H 1 2.517 0.029 . 2 . . . . 67 D HB3 . 16175 1 779 . 1 1 67 67 ASP C C 13 176.846 0.2 . 1 . . . . 67 D CO . 16175 1 780 . 1 1 67 67 ASP CA C 13 56.962 0.198 . 1 . . . . 67 D CA . 16175 1 781 . 1 1 67 67 ASP CB C 13 40.466 0.280 . 1 . . . . 67 D CB . 16175 1 782 . 1 1 67 67 ASP N N 15 116.821 0.026 . 1 . . . . 67 D N . 16175 1 783 . 1 1 68 68 ASN H H 1 8.247 0.004 . 1 . . . . 68 N H . 16175 1 784 . 1 1 68 68 ASN HA H 1 4.776 0.006 . 1 . . . . 68 N HA . 16175 1 785 . 1 1 68 68 ASN HB2 H 1 2.861 0.025 . 2 . . . . 68 N HB2 . 16175 1 786 . 1 1 68 68 ASN HB3 H 1 2.944 0.020 . 2 . . . . 68 N HB3 . 16175 1 787 . 1 1 68 68 ASN HD21 H 1 6.844 0.005 . 2 . . . . 68 N HD21 . 16175 1 788 . 1 1 68 68 ASN HD22 H 1 8.121 0.006 . 2 . . . . 68 N HD22 . 16175 1 789 . 1 1 68 68 ASN C C 13 175.507 0.2 . 1 . . . . 68 N CO . 16175 1 790 . 1 1 68 68 ASN CA C 13 53.073 0.168 . 1 . . . . 68 N CA . 16175 1 791 . 1 1 68 68 ASN CB C 13 39.244 0.090 . 1 . . . . 68 N CB . 16175 1 792 . 1 1 68 68 ASN CG C 13 177.312 0.014 . 1 . . . . 68 N CG . 16175 1 793 . 1 1 68 68 ASN N N 15 115.813 0.068 . 1 . . . . 68 N N . 16175 1 794 . 1 1 68 68 ASN ND2 N 15 115.483 0.154 . 1 . . . . 68 N ND2 . 16175 1 795 . 1 1 69 69 GLY H H 1 7.985 0.006 . 1 . . . . 69 G H . 16175 1 796 . 1 1 69 69 GLY HA2 H 1 4.405 0.012 . 2 . . . . 69 G HA2 . 16175 1 797 . 1 1 69 69 GLY HA3 H 1 3.309 0.013 . 2 . . . . 69 G HA3 . 16175 1 798 . 1 1 69 69 GLY C C 13 172.412 0.2 . 1 . . . . 69 G CO . 16175 1 799 . 1 1 69 69 GLY CA C 13 45.379 0.072 . 1 . . . . 69 G CA . 16175 1 800 . 1 1 69 69 GLY N N 15 108.657 0.035 . 1 . . . . 69 G N . 16175 1 801 . 1 1 70 70 ASP H H 1 7.836 0.004 . 1 . . . . 70 D H . 16175 1 802 . 1 1 70 70 ASP HA H 1 4.641 0.013 . 1 . . . . 70 D HA . 16175 1 803 . 1 1 70 70 ASP HB2 H 1 2.672 0.012 . 2 . . . . 70 D HB2 . 16175 1 804 . 1 1 70 70 ASP HB3 H 1 2.338 0.014 . 2 . . . . 70 D HB3 . 16175 1 805 . 1 1 70 70 ASP C C 13 176.284 0.2 . 1 . . . . 70 D CO . 16175 1 806 . 1 1 70 70 ASP CA C 13 54.307 0.112 . 1 . . . . 70 D CA . 16175 1 807 . 1 1 70 70 ASP CB C 13 41.843 0.133 . 1 . . . . 70 D CB . 16175 1 808 . 1 1 70 70 ASP N N 15 119.460 0.077 . 1 . . . . 70 D N . 16175 1 809 . 1 1 71 71 VAL H H 1 8.309 0.014 . 1 . . . . 71 V H . 16175 1 810 . 1 1 71 71 VAL HA H 1 3.414 0.025 . 1 . . . . 71 V HA . 16175 1 811 . 1 1 71 71 VAL HB H 1 1.452 0.011 . 1 . . . . 71 V HB . 16175 1 812 . 1 1 71 71 VAL HG11 H 1 0.390 0.009 . 2 . . . . 71 V HG1 . 16175 1 813 . 1 1 71 71 VAL HG12 H 1 0.390 0.009 . 2 . . . . 71 V HG1 . 16175 1 814 . 1 1 71 71 VAL HG13 H 1 0.390 0.009 . 2 . . . . 71 V HG1 . 16175 1 815 . 1 1 71 71 VAL HG21 H 1 0.012 0.010 . 2 . . . . 71 V HG2 . 16175 1 816 . 1 1 71 71 VAL HG22 H 1 0.012 0.010 . 2 . . . . 71 V HG2 . 16175 1 817 . 1 1 71 71 VAL HG23 H 1 0.012 0.010 . 2 . . . . 71 V HG2 . 16175 1 818 . 1 1 71 71 VAL C C 13 174.827 0.2 . 1 . . . . 71 V CO . 16175 1 819 . 1 1 71 71 VAL CA C 13 64.433 0.071 . 1 . . . . 71 V CA . 16175 1 820 . 1 1 71 71 VAL CB C 13 31.217 0.131 . 1 . . . . 71 V CB . 16175 1 821 . 1 1 71 71 VAL CG1 C 13 21.298 0.053 . 2 . . . . 71 V CG1 . 16175 1 822 . 1 1 71 71 VAL CG2 C 13 22.530 0.080 . 2 . . . . 71 V CG2 . 16175 1 823 . 1 1 71 71 VAL N N 15 120.271 0.079 . 1 . . . . 71 V N . 16175 1 824 . 1 1 72 72 HIS H H 1 8.838 0.004 . 1 . . . . 72 H H . 16175 1 825 . 1 1 72 72 HIS HA H 1 4.646 0.018 . 1 . . . . 72 H HA . 16175 1 826 . 1 1 72 72 HIS HB2 H 1 3.035 0.020 . 2 . . . . 72 H HB2 . 16175 1 827 . 1 1 72 72 HIS HB3 H 1 2.404 0.029 . 2 . . . . 72 H HB3 . 16175 1 828 . 1 1 72 72 HIS HD2 H 1 6.951 0.014 . 1 . . . . 72 H HD2 . 16175 1 829 . 1 1 72 72 HIS C C 13 175.192 0.2 . 1 . . . . 72 H CO . 16175 1 830 . 1 1 72 72 HIS CA C 13 54.241 0.069 . 1 . . . . 72 H CA . 16175 1 831 . 1 1 72 72 HIS CB C 13 31.204 0.117 . 1 . . . . 72 H CB . 16175 1 832 . 1 1 72 72 HIS CD2 C 13 117.286 0.2 . 1 . . . . 72 H CD2 . 16175 1 833 . 1 1 72 72 HIS N N 15 131.496 0.207 . 1 . . . . 72 H N . 16175 1 834 . 1 1 73 73 LEU H H 1 8.678 0.015 . 1 . . . . 73 L H . 16175 1 835 . 1 1 73 73 LEU HA H 1 3.867 0.012 . 1 . . . . 73 L HA . 16175 1 836 . 1 1 73 73 LEU HB2 H 1 1.353 0.022 . 2 . . . . 73 L HB2 . 16175 1 837 . 1 1 73 73 LEU HB3 H 1 1.767 0.010 . 2 . . . . 73 L HB3 . 16175 1 838 . 1 1 73 73 LEU HD11 H 1 0.997 0.012 . 2 . . . . 73 L HD1 . 16175 1 839 . 1 1 73 73 LEU HD12 H 1 0.997 0.012 . 2 . . . . 73 L HD1 . 16175 1 840 . 1 1 73 73 LEU HD13 H 1 0.997 0.012 . 2 . . . . 73 L HD1 . 16175 1 841 . 1 1 73 73 LEU HD21 H 1 1.010 0.012 . 2 . . . . 73 L HD2 . 16175 1 842 . 1 1 73 73 LEU HD22 H 1 1.010 0.012 . 2 . . . . 73 L HD2 . 16175 1 843 . 1 1 73 73 LEU HD23 H 1 1.010 0.012 . 2 . . . . 73 L HD2 . 16175 1 844 . 1 1 73 73 LEU HG H 1 1.681 0.022 . 1 . . . . 73 L HG . 16175 1 845 . 1 1 73 73 LEU CA C 13 59.016 0.109 . 1 . . . . 73 L CA . 16175 1 846 . 1 1 73 73 LEU CB C 13 41.145 0.101 . 1 . . . . 73 L CB . 16175 1 847 . 1 1 73 73 LEU CD1 C 13 22.930 0.091 . 2 . . . . 73 L CD1 . 16175 1 848 . 1 1 73 73 LEU CD2 C 13 26.071 0.165 . 2 . . . . 73 L CD2 . 16175 1 849 . 1 1 73 73 LEU CG C 13 27.432 0.114 . 1 . . . . 73 L CG . 16175 1 850 . 1 1 73 73 LEU N N 15 126.062 0.090 . 1 . . . . 73 L N . 16175 1 851 . 1 1 74 74 GLU CA C 13 60.064 0.2 . 1 . . . . 74 E CA . 16175 1 852 . 1 1 75 75 LYS H H 1 7.950 0.013 . 1 . . . . 75 K H . 16175 1 853 . 1 1 75 75 LYS HA H 1 3.689 0.010 . 1 . . . . 75 K HA . 16175 1 854 . 1 1 75 75 LYS HB2 H 1 1.831 0.007 . 2 . . . . 75 K HB2 . 16175 1 855 . 1 1 75 75 LYS HD2 H 1 1.653 0.010 . 2 . . . . 75 K HD2 . 16175 1 856 . 1 1 75 75 LYS HE2 H 1 2.952 0.013 . 2 . . . . 75 K HE2 . 16175 1 857 . 1 1 75 75 LYS HE3 H 1 3.097 0.04 . 2 . . . . 75 K HE3 . 16175 1 858 . 1 1 75 75 LYS HG2 H 1 1.396 0.015 . 2 . . . . 75 K HG2 . 16175 1 859 . 1 1 75 75 LYS HG3 H 1 1.434 0.004 . 2 . . . . 75 K HG3 . 16175 1 860 . 1 1 75 75 LYS CA C 13 57.279 0.088 . 1 . . . . 75 K CA . 16175 1 861 . 1 1 75 75 LYS CB C 13 32.800 0.239 . 1 . . . . 75 K CB . 16175 1 862 . 1 1 75 75 LYS CD C 13 29.123 0.080 . 1 . . . . 75 K CD . 16175 1 863 . 1 1 75 75 LYS CE C 13 41.057 0.044 . 1 . . . . 75 K CE . 16175 1 864 . 1 1 75 75 LYS CG C 13 24.145 0.051 . 1 . . . . 75 K CG . 16175 1 865 . 1 1 75 75 LYS N N 15 120.358 0.012 . 1 . . . . 75 K N . 16175 1 866 . 1 1 76 76 LEU H H 1 8.386 0.007 . 1 . . . . 76 L H . 16175 1 867 . 1 1 76 76 LEU HA H 1 4.033 0.017 . 1 . . . . 76 L HA . 16175 1 868 . 1 1 76 76 LEU HB2 H 1 2.124 0.002 . 2 . . . . 76 L HB2 . 16175 1 869 . 1 1 76 76 LEU HD11 H 1 1.033 0.005 . 2 . . . . 76 L HD1 . 16175 1 870 . 1 1 76 76 LEU HD12 H 1 1.033 0.005 . 2 . . . . 76 L HD1 . 16175 1 871 . 1 1 76 76 LEU HD13 H 1 1.033 0.005 . 2 . . . . 76 L HD1 . 16175 1 872 . 1 1 76 76 LEU CA C 13 58.979 0.023 . 1 . . . . 76 L CA . 16175 1 873 . 1 1 76 76 LEU CB C 13 41.653 0.2 . 1 . . . . 76 L CB . 16175 1 874 . 1 1 76 76 LEU CD1 C 13 24.670 0.013 . 2 . . . . 76 L CD1 . 16175 1 875 . 1 1 76 76 LEU N N 15 120.535 0.081 . 1 . . . . 76 L N . 16175 1 876 . 1 1 77 77 ARG H H 1 8.560 0.008 . 1 . . . . 77 R H . 16175 1 877 . 1 1 77 77 ARG HA H 1 4.293 0.007 . 1 . . . . 77 R HA . 16175 1 878 . 1 1 77 77 ARG HB2 H 1 1.761 0.04 . 1 . . . . 77 R HB . 16175 1 879 . 1 1 77 77 ARG HB3 H 1 1.761 0.04 . 1 . . . . 77 R HB . 16175 1 880 . 1 1 77 77 ARG CA C 13 56.000 0.020 . 1 . . . . 77 R CA . 16175 1 881 . 1 1 77 77 ARG CB C 13 30.828 0.133 . 1 . . . . 77 R CB . 16175 1 882 . 1 1 78 78 ASP H H 1 8.360 0.004 . 1 . . . . 78 D H . 16175 1 883 . 1 1 78 78 ASP HA H 1 4.240 0.076 . 1 . . . . 78 D HA . 16175 1 884 . 1 1 78 78 ASP HB2 H 1 2.706 0.019 . 2 . . . . 78 D HB2 . 16175 1 885 . 1 1 78 78 ASP C C 13 177.088 0.2 . 1 . . . . 78 D CO . 16175 1 886 . 1 1 78 78 ASP CA C 13 56.334 0.160 . 1 . . . . 78 D CA . 16175 1 887 . 1 1 78 78 ASP CB C 13 40.694 0.189 . 1 . . . . 78 D CB . 16175 1 888 . 1 1 78 78 ASP N N 15 121.488 0.050 . 1 . . . . 78 D N . 16175 1 889 . 1 1 79 79 SER H H 1 7.712 0.014 . 1 . . . . 79 S H . 16175 1 890 . 1 1 79 79 SER HA H 1 4.366 0.010 . 1 . . . . 79 S HA . 16175 1 891 . 1 1 79 79 SER HB2 H 1 3.964 0.020 . 2 . . . . 79 S HB2 . 16175 1 892 . 1 1 79 79 SER HB3 H 1 3.905 0.017 . 2 . . . . 79 S HB3 . 16175 1 893 . 1 1 79 79 SER C C 13 173.771 0.2 . 1 . . . . 79 S CO . 16175 1 894 . 1 1 79 79 SER CA C 13 59.781 0.136 . 1 . . . . 79 S CA . 16175 1 895 . 1 1 79 79 SER CB C 13 63.889 0.069 . 1 . . . . 79 S CB . 16175 1 896 . 1 1 79 79 SER N N 15 114.372 0.128 . 1 . . . . 79 S N . 16175 1 897 . 1 1 80 80 LEU H H 1 7.210 0.014 . 1 . . . . 80 L H . 16175 1 898 . 1 1 80 80 LEU HA H 1 4.456 0.024 . 1 . . . . 80 L HA . 16175 1 899 . 1 1 80 80 LEU HB2 H 1 1.760 0.016 . 2 . . . . 80 L HB2 . 16175 1 900 . 1 1 80 80 LEU HB3 H 1 1.305 0.016 . 2 . . . . 80 L HB3 . 16175 1 901 . 1 1 80 80 LEU HD11 H 1 0.700 0.016 . 2 . . . . 80 L HD1 . 16175 1 902 . 1 1 80 80 LEU HD12 H 1 0.700 0.016 . 2 . . . . 80 L HD1 . 16175 1 903 . 1 1 80 80 LEU HD13 H 1 0.700 0.016 . 2 . . . . 80 L HD1 . 16175 1 904 . 1 1 80 80 LEU HD21 H 1 0.784 0.012 . 2 . . . . 80 L HD2 . 16175 1 905 . 1 1 80 80 LEU HD22 H 1 0.784 0.012 . 2 . . . . 80 L HD2 . 16175 1 906 . 1 1 80 80 LEU HD23 H 1 0.784 0.012 . 2 . . . . 80 L HD2 . 16175 1 907 . 1 1 80 80 LEU HG H 1 2.119 0.015 . 1 . . . . 80 L HG . 16175 1 908 . 1 1 80 80 LEU CA C 13 51.503 5.269 . 1 . . . . 80 L CA . 16175 1 909 . 1 1 80 80 LEU CB C 13 41.153 0.143 . 1 . . . . 80 L CB . 16175 1 910 . 1 1 80 80 LEU CD1 C 13 26.680 0.117 . 2 . . . . 80 L CD1 . 16175 1 911 . 1 1 80 80 LEU CD2 C 13 22.154 0.096 . 2 . . . . 80 L CD2 . 16175 1 912 . 1 1 80 80 LEU CG C 13 25.757 0.046 . 1 . . . . 80 L CG . 16175 1 913 . 1 1 80 80 LEU N N 15 121.108 0.134 . 1 . . . . 80 L N . 16175 1 914 . 1 1 81 81 PRO HA H 1 4.130 0.04 . 1 . . . . 81 P HA . 16175 1 915 . 1 1 81 81 PRO HB2 H 1 1.831 0.026 . 2 . . . . 81 P HB2 . 16175 1 916 . 1 1 81 81 PRO HD2 H 1 3.579 0.015 . 2 . . . . 81 P HD2 . 16175 1 917 . 1 1 81 81 PRO HD3 H 1 3.886 0.006 . 2 . . . . 81 P HD3 . 16175 1 918 . 1 1 81 81 PRO HG2 H 1 1.915 0.014 . 2 . . . . 81 P HG2 . 16175 1 919 . 1 1 81 81 PRO CB C 13 30.709 0.2 . 1 . . . . 81 P CB . 16175 1 920 . 1 1 82 82 ASN H H 1 8.034 0.008 . 1 . . . . 82 N H . 16175 1 921 . 1 1 82 82 ASN HA H 1 3.480 0.044 . 1 . . . . 82 N HA . 16175 1 922 . 1 1 82 82 ASN HB2 H 1 2.635 0.023 . 2 . . . . 82 N HB2 . 16175 1 923 . 1 1 82 82 ASN HB3 H 1 2.721 0.010 . 2 . . . . 82 N HB3 . 16175 1 924 . 1 1 82 82 ASN HD21 H 1 6.924 0.003 . 2 . . . . 82 N HD21 . 16175 1 925 . 1 1 82 82 ASN HD22 H 1 7.624 0.008 . 2 . . . . 82 N HD22 . 16175 1 926 . 1 1 82 82 ASN C C 13 177.518 0.2 . 1 . . . . 82 N CO . 16175 1 927 . 1 1 82 82 ASN CA C 13 56.281 0.244 . 1 . . . . 82 N CA . 16175 1 928 . 1 1 82 82 ASN CB C 13 38.094 0.150 . 1 . . . . 82 N CB . 16175 1 929 . 1 1 82 82 ASN CG C 13 176.010 0.015 . 1 . . . . 82 N CG . 16175 1 930 . 1 1 82 82 ASN N N 15 121.119 0.114 . 1 . . . . 82 N N . 16175 1 931 . 1 1 82 82 ASN ND2 N 15 112.410 0.179 . 1 . . . . 82 N ND2 . 16175 1 932 . 1 1 83 83 SER H H 1 8.397 0.010 . 1 . . . . 83 S H . 16175 1 933 . 1 1 83 83 SER HA H 1 4.353 0.078 . 1 . . . . 83 S HA . 16175 1 934 . 1 1 83 83 SER HB2 H 1 3.993 0.020 . 2 . . . . 83 S HB2 . 16175 1 935 . 1 1 83 83 SER HB3 H 1 3.720 0.023 . 2 . . . . 83 S HB3 . 16175 1 936 . 1 1 83 83 SER C C 13 176.021 0.2 . 1 . . . . 83 S CO . 16175 1 937 . 1 1 83 83 SER CA C 13 60.039 0.136 . 1 . . . . 83 S CA . 16175 1 938 . 1 1 83 83 SER CB C 13 62.167 0.232 . 1 . . . . 83 S CB . 16175 1 939 . 1 1 83 83 SER N N 15 114.449 0.229 . 1 . . . . 83 S N . 16175 1 940 . 1 1 84 84 MET H H 1 7.991 0.005 . 1 . . . . 84 M H . 16175 1 941 . 1 1 84 84 MET HA H 1 4.833 0.011 . 1 . . . . 84 M HA . 16175 1 942 . 1 1 84 84 MET HB2 H 1 2.135 0.012 . 2 . . . . 84 M HB2 . 16175 1 943 . 1 1 84 84 MET HB3 H 1 2.304 0.017 . 2 . . . . 84 M HB3 . 16175 1 944 . 1 1 84 84 MET HE1 H 1 2.199 0.007 . 1 . . . . 84 M HE . 16175 1 945 . 1 1 84 84 MET HE2 H 1 2.199 0.007 . 1 . . . . 84 M HE . 16175 1 946 . 1 1 84 84 MET HE3 H 1 2.199 0.007 . 1 . . . . 84 M HE . 16175 1 947 . 1 1 84 84 MET HG2 H 1 2.544 0.023 . 2 . . . . 84 M HG2 . 16175 1 948 . 1 1 84 84 MET HG3 H 1 2.630 0.014 . 2 . . . . 84 M HG3 . 16175 1 949 . 1 1 84 84 MET C C 13 176.002 0.2 . 1 . . . . 84 M CO . 16175 1 950 . 1 1 84 84 MET CA C 13 54.814 0.106 . 1 . . . . 84 M CA . 16175 1 951 . 1 1 84 84 MET CB C 13 34.356 0.081 . 1 . . . . 84 M CB . 16175 1 952 . 1 1 84 84 MET CE C 13 16.181 0.013 . 1 . . . . 84 M CE . 16175 1 953 . 1 1 84 84 MET CG C 13 32.491 0.037 . 1 . . . . 84 M CG . 16175 1 954 . 1 1 84 84 MET N N 15 118.921 0.050 . 1 . . . . 84 M N . 16175 1 955 . 1 1 85 85 HIS H H 1 7.778 0.016 . 1 . . . . 85 H H . 16175 1 956 . 1 1 85 85 HIS HA H 1 4.122 0.022 . 1 . . . . 85 H HA . 16175 1 957 . 1 1 85 85 HIS HB2 H 1 3.276 0.025 . 2 . . . . 85 H HB2 . 16175 1 958 . 1 1 85 85 HIS HB3 H 1 3.346 0.009 . 2 . . . . 85 H HB3 . 16175 1 959 . 1 1 85 85 HIS HD2 H 1 7.043 0.015 . 1 . . . . 85 H HD2 . 16175 1 960 . 1 1 85 85 HIS HE1 H 1 7.793 0.04 . 1 . . . . 85 H HE1 . 16175 1 961 . 1 1 85 85 HIS C C 13 177.048 0.2 . 1 . . . . 85 H CO . 16175 1 962 . 1 1 85 85 HIS CA C 13 60.737 0.109 . 1 . . . . 85 H CA . 16175 1 963 . 1 1 85 85 HIS CB C 13 30.048 0.073 . 1 . . . . 85 H CB . 16175 1 964 . 1 1 85 85 HIS CD2 C 13 120.372 0.2 . 1 . . . . 85 H CD2 . 16175 1 965 . 1 1 85 85 HIS N N 15 120.937 0.059 . 1 . . . . 85 H N . 16175 1 966 . 1 1 86 86 ASP H H 1 8.600 0.006 . 1 . . . . 86 D H . 16175 1 967 . 1 1 86 86 ASP HA H 1 4.375 0.018 . 1 . . . . 86 D HA . 16175 1 968 . 1 1 86 86 ASP HB2 H 1 2.614 0.017 . 2 . . . . 86 D HB2 . 16175 1 969 . 1 1 86 86 ASP C C 13 178.853 0.2 . 1 . . . . 86 D CO . 16175 1 970 . 1 1 86 86 ASP CA C 13 57.877 0.104 . 1 . . . . 86 D CA . 16175 1 971 . 1 1 86 86 ASP CB C 13 39.983 0.056 . 1 . . . . 86 D CB . 16175 1 972 . 1 1 86 86 ASP N N 15 119.730 0.081 . 1 . . . . 86 D N . 16175 1 973 . 1 1 87 87 ILE H H 1 7.901 0.007 . 1 . . . . 87 I H . 16175 1 974 . 1 1 87 87 ILE HA H 1 3.625 0.009 . 1 . . . . 87 I HA . 16175 1 975 . 1 1 87 87 ILE HB H 1 1.518 0.013 . 1 . . . . 87 I HB . 16175 1 976 . 1 1 87 87 ILE HD11 H 1 0.422 0.011 . 1 . . . . 87 I HD1 . 16175 1 977 . 1 1 87 87 ILE HD12 H 1 0.422 0.011 . 1 . . . . 87 I HD1 . 16175 1 978 . 1 1 87 87 ILE HD13 H 1 0.422 0.011 . 1 . . . . 87 I HD1 . 16175 1 979 . 1 1 87 87 ILE HG12 H 1 1.417 0.013 . 2 . . . . 87 I HG12 . 16175 1 980 . 1 1 87 87 ILE HG13 H 1 0.333 0.010 . 2 . . . . 87 I HG13 . 16175 1 981 . 1 1 87 87 ILE HG21 H 1 0.693 0.011 . 1 . . . . 87 I HG2 . 16175 1 982 . 1 1 87 87 ILE HG22 H 1 0.693 0.011 . 1 . . . . 87 I HG2 . 16175 1 983 . 1 1 87 87 ILE HG23 H 1 0.693 0.011 . 1 . . . . 87 I HG2 . 16175 1 984 . 1 1 87 87 ILE C C 13 178.639 0.2 . 1 . . . . 87 I CO . 16175 1 985 . 1 1 87 87 ILE CA C 13 64.403 0.056 . 1 . . . . 87 I CA . 16175 1 986 . 1 1 87 87 ILE CB C 13 39.561 0.072 . 1 . . . . 87 I CB . 16175 1 987 . 1 1 87 87 ILE CD1 C 13 13.815 0.083 . 1 . . . . 87 I CD1 . 16175 1 988 . 1 1 87 87 ILE CG1 C 13 29.559 0.090 . 1 . . . . 87 I CG1 . 16175 1 989 . 1 1 87 87 ILE CG2 C 13 17.651 0.088 . 1 . . . . 87 I CG2 . 16175 1 990 . 1 1 87 87 ILE N N 15 122.091 0.128 . 1 . . . . 87 I N . 16175 1 991 . 1 1 88 88 ALA H H 1 8.644 0.022 . 1 . . . . 88 A H . 16175 1 992 . 1 1 88 88 ALA HA H 1 3.840 0.011 . 1 . . . . 88 A HA . 16175 1 993 . 1 1 88 88 ALA HB1 H 1 1.294 0.012 . 1 . . . . 88 A HB . 16175 1 994 . 1 1 88 88 ALA HB2 H 1 1.294 0.012 . 1 . . . . 88 A HB . 16175 1 995 . 1 1 88 88 ALA HB3 H 1 1.294 0.012 . 1 . . . . 88 A HB . 16175 1 996 . 1 1 88 88 ALA C C 13 177.401 0.2 . 1 . . . . 88 A CO . 16175 1 997 . 1 1 88 88 ALA CA C 13 54.915 0.054 . 1 . . . . 88 A CA . 16175 1 998 . 1 1 88 88 ALA CB C 13 18.840 0.106 . 1 . . . . 88 A CB . 16175 1 999 . 1 1 88 88 ALA N N 15 121.311 0.024 . 1 . . . . 88 A N . 16175 1 1000 . 1 1 89 89 MET H H 1 8.232 0.038 . 1 . . . . 89 M H . 16175 1 1001 . 1 1 89 89 MET HA H 1 4.159 0.001 . 1 . . . . 89 M HA . 16175 1 1002 . 1 1 89 89 MET HB2 H 1 2.057 0.005 . 2 . . . . 89 M HB2 . 16175 1 1003 . 1 1 89 89 MET HE1 H 1 1.825 0.006 . 1 . . . . 89 M HE . 16175 1 1004 . 1 1 89 89 MET HE2 H 1 1.825 0.006 . 1 . . . . 89 M HE . 16175 1 1005 . 1 1 89 89 MET HE3 H 1 1.825 0.006 . 1 . . . . 89 M HE . 16175 1 1006 . 1 1 89 89 MET HG2 H 1 0.920 0.04 . 2 . . . . 89 M HG2 . 16175 1 1007 . 1 1 89 89 MET CA C 13 56.250 0.131 . 1 . . . . 89 M CA . 16175 1 1008 . 1 1 89 89 MET CB C 13 30.852 0.227 . 1 . . . . 89 M CB . 16175 1 1009 . 1 1 89 89 MET CE C 13 16.514 0.088 . 1 . . . . 89 M CE . 16175 1 1010 . 1 1 89 89 MET N N 15 119.511 0.220 . 1 . . . . 89 M N . 16175 1 1011 . 1 1 90 90 HIS H H 1 8.509 0.014 . 1 . . . . 90 H H . 16175 1 1012 . 1 1 90 90 HIS HA H 1 4.611 0.010 . 1 . . . . 90 H HA . 16175 1 1013 . 1 1 90 90 HIS HB2 H 1 3.060 0.016 . 2 . . . . 90 H HB2 . 16175 1 1014 . 1 1 90 90 HIS HB3 H 1 3.106 0.007 . 2 . . . . 90 H HB3 . 16175 1 1015 . 1 1 90 90 HIS HD2 H 1 6.681 0.055 . 1 . . . . 90 H HD2 . 16175 1 1016 . 1 1 90 90 HIS HE1 H 1 7.510 0.04 . 1 . . . . 90 H HE1 . 16175 1 1017 . 1 1 90 90 HIS CA C 13 55.761 0.075 . 1 . . . . 90 H CA . 16175 1 1018 . 1 1 90 90 HIS CB C 13 31.325 0.091 . 1 . . . . 90 H CB . 16175 1 1019 . 1 1 90 90 HIS N N 15 123.359 0.157 . 1 . . . . 90 H N . 16175 1 1020 . 1 1 91 91 MET H H 1 8.244 0.003 . 1 . . . . 91 M H . 16175 1 1021 . 1 1 91 91 MET HA H 1 4.678 0.007 . 1 . . . . 91 M HA . 16175 1 1022 . 1 1 91 91 MET HB2 H 1 2.813 0.021 . 2 . . . . 91 M HB2 . 16175 1 1023 . 1 1 91 91 MET HE1 H 1 2.028 0.027 . 1 . . . . 91 M HE . 16175 1 1024 . 1 1 91 91 MET HE2 H 1 2.028 0.027 . 1 . . . . 91 M HE . 16175 1 1025 . 1 1 91 91 MET HE3 H 1 2.028 0.027 . 1 . . . . 91 M HE . 16175 1 1026 . 1 1 91 91 MET C C 13 175.863 0.2 . 1 . . . . 91 M CO . 16175 1 1027 . 1 1 91 91 MET CA C 13 53.354 0.181 . 1 . . . . 91 M CA . 16175 1 1028 . 1 1 91 91 MET CB C 13 39.021 0.060 . 1 . . . . 91 M CB . 16175 1 1029 . 1 1 91 91 MET CE C 13 16.807 0.041 . 1 . . . . 91 M CE . 16175 1 1030 . 1 1 91 91 MET N N 15 122.645 0.042 . 1 . . . . 91 M N . 16175 1 1031 . 1 1 92 92 GLY H H 1 8.361 0.006 . 1 . . . . 92 G H . 16175 1 1032 . 1 1 92 92 GLY HA2 H 1 3.887 0.015 . 2 . . . . 92 G HA2 . 16175 1 1033 . 1 1 92 92 GLY C C 13 174.267 0.2 . 1 . . . . 92 G CO . 16175 1 1034 . 1 1 92 92 GLY CA C 13 45.499 0.179 . 1 . . . . 92 G CA . 16175 1 1035 . 1 1 92 92 GLY N N 15 108.851 0.081 . 1 . . . . 92 G N . 16175 1 1036 . 1 1 93 93 LYS H H 1 7.995 0.003 . 1 . . . . 93 K H . 16175 1 1037 . 1 1 93 93 LYS HA H 1 4.268 0.013 . 1 . . . . 93 K HA . 16175 1 1038 . 1 1 93 93 LYS HB2 H 1 1.687 0.025 . 2 . . . . 93 K HB2 . 16175 1 1039 . 1 1 93 93 LYS HE2 H 1 2.938 0.003 . 2 . . . . 93 K HE2 . 16175 1 1040 . 1 1 93 93 LYS HG2 H 1 1.405 0.04 . 2 . . . . 93 K HG2 . 16175 1 1041 . 1 1 93 93 LYS CA C 13 56.204 0.171 . 1 . . . . 93 K CA . 16175 1 1042 . 1 1 93 93 LYS CB C 13 33.142 0.074 . 1 . . . . 93 K CB . 16175 1 1043 . 1 1 93 93 LYS N N 15 120.704 0.169 . 1 . . . . 93 K N . 16175 1 1044 . 1 1 94 94 ARG H H 1 8.200 0.019 . 1 . . . . 94 R H . 16175 1 1045 . 1 1 94 94 ARG HA H 1 4.333 0.018 . 1 . . . . 94 R HA . 16175 1 1046 . 1 1 94 94 ARG HB2 H 1 1.574 0.006 . 2 . . . . 94 R HB2 . 16175 1 1047 . 1 1 94 94 ARG CA C 13 55.003 0.141 . 1 . . . . 94 R CA . 16175 1 1048 . 1 1 94 94 ARG CB C 13 29.937 0.041 . 1 . . . . 94 R CB . 16175 1 1049 . 1 1 94 94 ARG N N 15 123.774 0.141 . 1 . . . . 94 R N . 16175 1 1050 . 1 1 95 95 CYS H H 1 7.508 0.020 . 1 . . . . 95 C H . 16175 1 1051 . 1 1 95 95 CYS HA H 1 5.286 0.009 . 1 . . . . 95 C HA . 16175 1 1052 . 1 1 95 95 CYS HB2 H 1 3.008 0.018 . 2 . . . . 95 C HB2 . 16175 1 1053 . 1 1 95 95 CYS HB3 H 1 3.145 0.015 . 2 . . . . 95 C HB3 . 16175 1 1054 . 1 1 95 95 CYS C C 13 174.498 0.2 . 1 . . . . 95 C CO . 16175 1 1055 . 1 1 95 95 CYS CA C 13 52.848 0.095 . 1 . . . . 95 C CA . 16175 1 1056 . 1 1 95 95 CYS CB C 13 40.917 0.281 . 1 . . . . 95 C CB . 16175 1 1057 . 1 1 95 95 CYS N N 15 120.899 0.050 . 1 . . . . 95 C N . 16175 1 1058 . 1 1 96 96 LEU H H 1 7.637 0.009 . 1 . . . . 96 L H . 16175 1 1059 . 1 1 96 96 LEU HA H 1 4.127 0.012 . 1 . . . . 96 L HA . 16175 1 1060 . 1 1 96 96 LEU HB2 H 1 1.057 0.021 . 2 . . . . 96 L HB2 . 16175 1 1061 . 1 1 96 96 LEU HB3 H 1 0.594 0.021 . 2 . . . . 96 L HB3 . 16175 1 1062 . 1 1 96 96 LEU HD11 H 1 0.623 0.010 . 2 . . . . 96 L HD1 . 16175 1 1063 . 1 1 96 96 LEU HD12 H 1 0.623 0.010 . 2 . . . . 96 L HD1 . 16175 1 1064 . 1 1 96 96 LEU HD13 H 1 0.623 0.010 . 2 . . . . 96 L HD1 . 16175 1 1065 . 1 1 96 96 LEU HD21 H 1 0.779 0.013 . 2 . . . . 96 L HD2 . 16175 1 1066 . 1 1 96 96 LEU HD22 H 1 0.779 0.013 . 2 . . . . 96 L HD2 . 16175 1 1067 . 1 1 96 96 LEU HD23 H 1 0.779 0.013 . 2 . . . . 96 L HD2 . 16175 1 1068 . 1 1 96 96 LEU HG H 1 1.388 0.040 . 1 . . . . 96 L HG . 16175 1 1069 . 1 1 96 96 LEU CA C 13 56.203 0.095 . 1 . . . . 96 L CA . 16175 1 1070 . 1 1 96 96 LEU CB C 13 43.353 0.098 . 1 . . . . 96 L CB . 16175 1 1071 . 1 1 96 96 LEU CD1 C 13 23.053 0.081 . 2 . . . . 96 L CD1 . 16175 1 1072 . 1 1 96 96 LEU CD2 C 13 25.505 0.065 . 2 . . . . 96 L CD2 . 16175 1 1073 . 1 1 96 96 LEU CG C 13 26.853 0.087 . 1 . . . . 96 L CG . 16175 1 1074 . 1 1 96 96 LEU N N 15 118.906 0.049 . 1 . . . . 96 L N . 16175 1 1075 . 1 1 97 97 TYR H H 1 7.316 0.010 . 1 . . . . 97 Y H . 16175 1 1076 . 1 1 97 97 TYR HA H 1 4.778 0.011 . 1 . . . . 97 Y HA . 16175 1 1077 . 1 1 97 97 TYR HB2 H 1 2.690 0.023 . 2 . . . . 97 Y HB2 . 16175 1 1078 . 1 1 97 97 TYR HB3 H 1 2.745 0.022 . 2 . . . . 97 Y HB3 . 16175 1 1079 . 1 1 97 97 TYR HD1 H 1 7.035 0.011 . 3 . . . . 97 Y HD1 . 16175 1 1080 . 1 1 97 97 TYR HE1 H 1 6.712 0.009 . 3 . . . . 97 Y HE1 . 16175 1 1081 . 1 1 97 97 TYR C C 13 176.373 0.2 . 1 . . . . 97 Y CO . 16175 1 1082 . 1 1 97 97 TYR CA C 13 53.949 0.190 . 1 . . . . 97 Y CA . 16175 1 1083 . 1 1 97 97 TYR CB C 13 37.808 0.156 . 1 . . . . 97 Y CB . 16175 1 1084 . 1 1 97 97 TYR CD1 C 13 133.700 0.002 . 3 . . . . 97 Y CD1 . 16175 1 1085 . 1 1 97 97 TYR CE1 C 13 117.785 0.2 . 3 . . . . 97 Y CE1 . 16175 1 1086 . 1 1 97 97 TYR N N 15 114.601 0.097 . 1 . . . . 97 Y N . 16175 1 1087 . 1 1 98 98 PRO HB2 H 1 1.375 0.007 . 2 . . . . 98 P HB2 . 16175 1 1088 . 1 1 98 98 PRO HB3 H 1 2.061 0.011 . 2 . . . . 98 P HB3 . 16175 1 1089 . 1 1 98 98 PRO HD2 H 1 3.289 0.005 . 2 . . . . 98 P HD2 . 16175 1 1090 . 1 1 98 98 PRO HD3 H 1 3.366 0.016 . 2 . . . . 98 P HD3 . 16175 1 1091 . 1 1 98 98 PRO HG2 H 1 1.650 0.006 . 2 . . . . 98 P HG2 . 16175 1 1092 . 1 1 98 98 PRO HG3 H 1 1.838 0.014 . 2 . . . . 98 P HG3 . 16175 1 1093 . 1 1 98 98 PRO CB C 13 32.900 0.2 . 1 . . . . 98 P CB . 16175 1 1094 . 1 1 98 98 PRO CD C 13 49.897 0.021 . 1 . . . . 98 P CD . 16175 1 1095 . 1 1 98 98 PRO CG C 13 27.431 0.036 . 1 . . . . 98 P CG . 16175 1 1096 . 1 1 99 99 GLU HA H 1 4.265 0.011 . 1 . . . . 99 E HA . 16175 1 1097 . 1 1 99 99 GLU HB2 H 1 1.776 0.019 . 2 . . . . 99 E HB2 . 16175 1 1098 . 1 1 99 99 GLU HB3 H 1 1.400 0.015 . 2 . . . . 99 E HB3 . 16175 1 1099 . 1 1 99 99 GLU HG2 H 1 1.824 0.011 . 2 . . . . 99 E HG2 . 16175 1 1100 . 1 1 99 99 GLU C C 13 174.701 0.2 . 1 . . . . 99 E CO . 16175 1 1101 . 1 1 99 99 GLU CA C 13 53.665 0.090 . 1 . . . . 99 E CA . 16175 1 1102 . 1 1 99 99 GLU CB C 13 32.840 0.086 . 1 . . . . 99 E CB . 16175 1 1103 . 1 1 99 99 GLU CG C 13 35.818 0.080 . 1 . . . . 99 E CG . 16175 1 1104 . 1 1 100 100 GLY H H 1 8.201 0.001 . 1 . . . . 100 G H . 16175 1 1105 . 1 1 100 100 GLY HA2 H 1 4.153 0.006 . 2 . . . . 100 G HA2 . 16175 1 1106 . 1 1 100 100 GLY HA3 H 1 3.812 0.012 . 2 . . . . 100 G HA3 . 16175 1 1107 . 1 1 100 100 GLY C C 13 173.351 0.2 . 1 . . . . 100 G CO . 16175 1 1108 . 1 1 100 100 GLY CA C 13 44.750 0.109 . 1 . . . . 100 G CA . 16175 1 1109 . 1 1 100 100 GLY N N 15 108.154 0.011 . 1 . . . . 100 G N . 16175 1 1110 . 1 1 101 101 GLU H H 1 9.015 0.004 . 1 . . . . 101 E H . 16175 1 1111 . 1 1 101 101 GLU HA H 1 4.199 0.013 . 1 . . . . 101 E HA . 16175 1 1112 . 1 1 101 101 GLU HB2 H 1 1.912 0.011 . 2 . . . . 101 E HB2 . 16175 1 1113 . 1 1 101 101 GLU HB3 H 1 2.121 0.008 . 2 . . . . 101 E HB3 . 16175 1 1114 . 1 1 101 101 GLU HG2 H 1 2.249 0.014 . 2 . . . . 101 E HG2 . 16175 1 1115 . 1 1 101 101 GLU HG3 H 1 2.272 0.008 . 2 . . . . 101 E HG3 . 16175 1 1116 . 1 1 101 101 GLU C C 13 175.450 0.2 . 1 . . . . 101 E CO . 16175 1 1117 . 1 1 101 101 GLU CA C 13 57.288 0.078 . 1 . . . . 101 E CA . 16175 1 1118 . 1 1 101 101 GLU CB C 13 30.502 0.089 . 1 . . . . 101 E CB . 16175 1 1119 . 1 1 101 101 GLU CG C 13 36.334 0.157 . 1 . . . . 101 E CG . 16175 1 1120 . 1 1 101 101 GLU N N 15 118.948 0.027 . 1 . . . . 101 E N . 16175 1 1121 . 1 1 102 102 ASN H H 1 7.365 0.005 . 1 . . . . 102 N H . 16175 1 1122 . 1 1 102 102 ASN HA H 1 4.793 0.012 . 1 . . . . 102 N HA . 16175 1 1123 . 1 1 102 102 ASN HB2 H 1 3.122 0.012 . 2 . . . . 102 N HB2 . 16175 1 1124 . 1 1 102 102 ASN HB3 H 1 2.950 0.010 . 2 . . . . 102 N HB3 . 16175 1 1125 . 1 1 102 102 ASN HD21 H 1 7.366 0.006 . 2 . . . . 102 N HD21 . 16175 1 1126 . 1 1 102 102 ASN HD22 H 1 7.847 0.003 . 2 . . . . 102 N HD22 . 16175 1 1127 . 1 1 102 102 ASN C C 13 175.362 0.2 . 1 . . . . 102 N CO . 16175 1 1128 . 1 1 102 102 ASN CA C 13 51.602 0.072 . 1 . . . . 102 N CA . 16175 1 1129 . 1 1 102 102 ASN CB C 13 40.395 0.101 . 1 . . . . 102 N CB . 16175 1 1130 . 1 1 102 102 ASN CG C 13 176.269 0.010 . 1 . . . . 102 N CG . 16175 1 1131 . 1 1 102 102 ASN N N 15 110.680 0.010 . 1 . . . . 102 N N . 16175 1 1132 . 1 1 102 102 ASN ND2 N 15 117.599 0.148 . 1 . . . . 102 N ND2 . 16175 1 1133 . 1 1 103 103 LEU H H 1 8.607 0.008 . 1 . . . . 103 L H . 16175 1 1134 . 1 1 103 103 LEU HA H 1 3.989 0.019 . 1 . . . . 103 L HA . 16175 1 1135 . 1 1 103 103 LEU HB2 H 1 1.757 0.010 . 2 . . . . 103 L HB2 . 16175 1 1136 . 1 1 103 103 LEU HD11 H 1 0.787 0.013 . 2 . . . . 103 L HD1 . 16175 1 1137 . 1 1 103 103 LEU HD12 H 1 0.787 0.013 . 2 . . . . 103 L HD1 . 16175 1 1138 . 1 1 103 103 LEU HD13 H 1 0.787 0.013 . 2 . . . . 103 L HD1 . 16175 1 1139 . 1 1 103 103 LEU HD21 H 1 1.075 0.011 . 2 . . . . 103 L HD2 . 16175 1 1140 . 1 1 103 103 LEU HD22 H 1 1.075 0.011 . 2 . . . . 103 L HD2 . 16175 1 1141 . 1 1 103 103 LEU HD23 H 1 1.075 0.011 . 2 . . . . 103 L HD2 . 16175 1 1142 . 1 1 103 103 LEU HG H 1 1.764 0.005 . 1 . . . . 103 L HG . 16175 1 1143 . 1 1 103 103 LEU C C 13 180.738 0.2 . 1 . . . . 103 L CO . 16175 1 1144 . 1 1 103 103 LEU CA C 13 58.446 0.079 . 1 . . . . 103 L CA . 16175 1 1145 . 1 1 103 103 LEU CB C 13 40.815 0.094 . 1 . . . . 103 L CB . 16175 1 1146 . 1 1 103 103 LEU CD1 C 13 22.215 0.080 . 2 . . . . 103 L CD1 . 16175 1 1147 . 1 1 103 103 LEU CD2 C 13 25.886 0.069 . 2 . . . . 103 L CD2 . 16175 1 1148 . 1 1 103 103 LEU CG C 13 26.834 0.068 . 1 . . . . 103 L CG . 16175 1 1149 . 1 1 103 103 LEU N N 15 117.968 0.040 . 1 . . . . 103 L N . 16175 1 1150 . 1 1 104 104 CYS H H 1 8.183 0.003 . 1 . . . . 104 C H . 16175 1 1151 . 1 1 104 104 CYS HA H 1 4.312 0.009 . 1 . . . . 104 C HA . 16175 1 1152 . 1 1 104 104 CYS HB2 H 1 2.383 0.013 . 2 . . . . 104 C HB2 . 16175 1 1153 . 1 1 104 104 CYS HB3 H 1 3.842 0.014 . 2 . . . . 104 C HB3 . 16175 1 1154 . 1 1 104 104 CYS C C 13 175.329 0.2 . 1 . . . . 104 C CO . 16175 1 1155 . 1 1 104 104 CYS CA C 13 61.040 0.077 . 1 . . . . 104 C CA . 16175 1 1156 . 1 1 104 104 CYS CB C 13 42.294 0.110 . 1 . . . . 104 C CB . 16175 1 1157 . 1 1 104 104 CYS N N 15 117.134 0.047 . 1 . . . . 104 C N . 16175 1 1158 . 1 1 105 105 GLU H H 1 8.322 0.006 . 1 . . . . 105 E H . 16175 1 1159 . 1 1 105 105 GLU HA H 1 4.127 0.010 . 1 . . . . 105 E HA . 16175 1 1160 . 1 1 105 105 GLU HB2 H 1 1.909 0.018 . 2 . . . . 105 E HB2 . 16175 1 1161 . 1 1 105 105 GLU HB3 H 1 2.232 0.006 . 2 . . . . 105 E HB3 . 16175 1 1162 . 1 1 105 105 GLU HG2 H 1 2.476 0.016 . 2 . . . . 105 E HG2 . 16175 1 1163 . 1 1 105 105 GLU HG3 H 1 2.553 0.019 . 2 . . . . 105 E HG3 . 16175 1 1164 . 1 1 105 105 GLU C C 13 179.570 0.2 . 1 . . . . 105 E CO . 16175 1 1165 . 1 1 105 105 GLU CA C 13 59.479 0.092 . 1 . . . . 105 E CA . 16175 1 1166 . 1 1 105 105 GLU CB C 13 30.078 0.091 . 1 . . . . 105 E CB . 16175 1 1167 . 1 1 105 105 GLU CG C 13 35.277 0.041 . 1 . . . . 105 E CG . 16175 1 1168 . 1 1 105 105 GLU N N 15 120.085 0.056 . 1 . . . . 105 E N . 16175 1 1169 . 1 1 106 106 LYS H H 1 8.047 0.007 . 1 . . . . 106 K H . 16175 1 1170 . 1 1 106 106 LYS HA H 1 4.095 0.017 . 1 . . . . 106 K HA . 16175 1 1171 . 1 1 106 106 LYS HB2 H 1 1.650 0.008 . 2 . . . . 106 K HB2 . 16175 1 1172 . 1 1 106 106 LYS HD2 H 1 1.251 0.015 . 2 . . . . 106 K HD2 . 16175 1 1173 . 1 1 106 106 LYS HE2 H 1 2.581 0.013 . 2 . . . . 106 K HE2 . 16175 1 1174 . 1 1 106 106 LYS HG2 H 1 0.680 0.012 . 2 . . . . 106 K HG2 . 16175 1 1175 . 1 1 106 106 LYS HG3 H 1 1.232 0.008 . 2 . . . . 106 K HG3 . 16175 1 1176 . 1 1 106 106 LYS C C 13 177.594 0.2 . 1 . . . . 106 K CO . 16175 1 1177 . 1 1 106 106 LYS CA C 13 60.207 0.083 . 1 . . . . 106 K CA . 16175 1 1178 . 1 1 106 106 LYS CB C 13 33.548 0.083 . 1 . . . . 106 K CB . 16175 1 1179 . 1 1 106 106 LYS CE C 13 41.683 0.040 . 1 . . . . 106 K CE . 16175 1 1180 . 1 1 106 106 LYS CG C 13 26.726 0.140 . 1 . . . . 106 K CG . 16175 1 1181 . 1 1 106 106 LYS N N 15 118.481 0.058 . 1 . . . . 106 K N . 16175 1 1182 . 1 1 107 107 ALA H H 1 7.840 0.006 . 1 . . . . 107 A H . 16175 1 1183 . 1 1 107 107 ALA HA H 1 4.321 0.009 . 1 . . . . 107 A HA . 16175 1 1184 . 1 1 107 107 ALA HB1 H 1 1.818 0.009 . 1 . . . . 107 A HB . 16175 1 1185 . 1 1 107 107 ALA HB2 H 1 1.818 0.009 . 1 . . . . 107 A HB . 16175 1 1186 . 1 1 107 107 ALA HB3 H 1 1.818 0.009 . 1 . . . . 107 A HB . 16175 1 1187 . 1 1 107 107 ALA C C 13 179.181 0.2 . 1 . . . . 107 A CO . 16175 1 1188 . 1 1 107 107 ALA CA C 13 55.769 0.049 . 1 . . . . 107 A CA . 16175 1 1189 . 1 1 107 107 ALA CB C 13 18.716 0.126 . 1 . . . . 107 A CB . 16175 1 1190 . 1 1 107 107 ALA N N 15 120.777 0.076 . 1 . . . . 107 A N . 16175 1 1191 . 1 1 108 108 PHE H H 1 8.144 0.005 . 1 . . . . 108 F H . 16175 1 1192 . 1 1 108 108 PHE HA H 1 4.625 0.014 . 1 . . . . 108 F HA . 16175 1 1193 . 1 1 108 108 PHE HB2 H 1 3.281 0.017 . 2 . . . . 108 F HB2 . 16175 1 1194 . 1 1 108 108 PHE HB3 H 1 2.924 0.012 . 2 . . . . 108 F HB3 . 16175 1 1195 . 1 1 108 108 PHE HD1 H 1 7.118 0.013 . 3 . . . . 108 F HD1 . 16175 1 1196 . 1 1 108 108 PHE HE1 H 1 7.345 0.006 . 3 . . . . 108 F HE1 . 16175 1 1197 . 1 1 108 108 PHE HZ H 1 7.108 0.004 . 1 . . . . 108 F HZ . 16175 1 1198 . 1 1 108 108 PHE C C 13 175.630 0.2 . 1 . . . . 108 F CO . 16175 1 1199 . 1 1 108 108 PHE CA C 13 60.838 0.082 . 1 . . . . 108 F CA . 16175 1 1200 . 1 1 108 108 PHE CB C 13 39.290 0.126 . 1 . . . . 108 F CB . 16175 1 1201 . 1 1 108 108 PHE N N 15 117.989 0.051 . 1 . . . . 108 F N . 16175 1 1202 . 1 1 109 109 TRP H H 1 8.754 0.004 . 1 . . . . 109 W H . 16175 1 1203 . 1 1 109 109 TRP HA H 1 3.554 0.016 . 1 . . . . 109 W HA . 16175 1 1204 . 1 1 109 109 TRP HB2 H 1 3.787 0.015 . 2 . . . . 109 W HB2 . 16175 1 1205 . 1 1 109 109 TRP HB3 H 1 3.636 0.025 . 2 . . . . 109 W HB3 . 16175 1 1206 . 1 1 109 109 TRP HD1 H 1 7.390 0.013 . 1 . . . . 109 W HD1 . 16175 1 1207 . 1 1 109 109 TRP HE1 H 1 10.403 0.002 . 1 . . . . 109 W HE1 . 16175 1 1208 . 1 1 109 109 TRP HE3 H 1 7.026 0.013 . 1 . . . . 109 W HE3 . 16175 1 1209 . 1 1 109 109 TRP HH2 H 1 7.188 0.015 . 1 . . . . 109 W HH2 . 16175 1 1210 . 1 1 109 109 TRP HZ2 H 1 7.476 0.008 . 1 . . . . 109 W HZ2 . 16175 1 1211 . 1 1 109 109 TRP HZ3 H 1 6.503 0.012 . 1 . . . . 109 W HZ3 . 16175 1 1212 . 1 1 109 109 TRP C C 13 179.748 0.2 . 1 . . . . 109 W CO . 16175 1 1213 . 1 1 109 109 TRP CA C 13 62.557 0.120 . 1 . . . . 109 W CA . 16175 1 1214 . 1 1 109 109 TRP CB C 13 29.906 0.127 . 1 . . . . 109 W CB . 16175 1 1215 . 1 1 109 109 TRP CD1 C 13 108.450 0.2 . 1 . . . . 109 W CD1 . 16175 1 1216 . 1 1 109 109 TRP CH2 C 13 125.225 0.005 . 1 . . . . 109 W CH2 . 16175 1 1217 . 1 1 109 109 TRP CZ2 C 13 115.580 0.011 . 1 . . . . 109 W CZ2 . 16175 1 1218 . 1 1 109 109 TRP CZ3 C 13 131.788 0.2 . 1 . . . . 109 W CZ3 . 16175 1 1219 . 1 1 109 109 TRP N N 15 120.115 0.040 . 1 . . . . 109 W N . 16175 1 1220 . 1 1 109 109 TRP NE1 N 15 130.791 0.003 . 1 . . . . 109 W NE1 . 16175 1 1221 . 1 1 110 110 LEU H H 1 7.661 0.012 . 1 . . . . 110 L H . 16175 1 1222 . 1 1 110 110 LEU HA H 1 3.399 0.009 . 1 . . . . 110 L HA . 16175 1 1223 . 1 1 110 110 LEU HB2 H 1 0.188 0.014 . 2 . . . . 110 L HB2 . 16175 1 1224 . 1 1 110 110 LEU HB3 H 1 1.709 0.014 . 2 . . . . 110 L HB3 . 16175 1 1225 . 1 1 110 110 LEU HD11 H 1 0.855 0.009 . 2 . . . . 110 L HD1 . 16175 1 1226 . 1 1 110 110 LEU HD12 H 1 0.855 0.009 . 2 . . . . 110 L HD1 . 16175 1 1227 . 1 1 110 110 LEU HD13 H 1 0.855 0.009 . 2 . . . . 110 L HD1 . 16175 1 1228 . 1 1 110 110 LEU HD21 H 1 0.724 0.013 . 2 . . . . 110 L HD2 . 16175 1 1229 . 1 1 110 110 LEU HD22 H 1 0.724 0.013 . 2 . . . . 110 L HD2 . 16175 1 1230 . 1 1 110 110 LEU HD23 H 1 0.724 0.013 . 2 . . . . 110 L HD2 . 16175 1 1231 . 1 1 110 110 LEU HG H 1 1.394 0.011 . 1 . . . . 110 L HG . 16175 1 1232 . 1 1 110 110 LEU C C 13 175.768 0.2 . 1 . . . . 110 L CO . 16175 1 1233 . 1 1 110 110 LEU CA C 13 58.413 0.101 . 1 . . . . 110 L CA . 16175 1 1234 . 1 1 110 110 LEU CB C 13 41.350 0.085 . 1 . . . . 110 L CB . 16175 1 1235 . 1 1 110 110 LEU CD1 C 13 24.158 0.055 . 2 . . . . 110 L CD1 . 16175 1 1236 . 1 1 110 110 LEU CD2 C 13 26.294 0.161 . 2 . . . . 110 L CD2 . 16175 1 1237 . 1 1 110 110 LEU CG C 13 27.056 0.112 . 1 . . . . 110 L CG . 16175 1 1238 . 1 1 110 110 LEU N N 15 118.514 0.035 . 1 . . . . 110 L N . 16175 1 1239 . 1 1 111 111 HIS H H 1 7.416 0.017 . 1 . . . . 111 H H . 16175 1 1240 . 1 1 111 111 HIS HA H 1 4.071 0.018 . 1 . . . . 111 H HA . 16175 1 1241 . 1 1 111 111 HIS HB2 H 1 3.183 0.021 . 2 . . . . 111 H HB2 . 16175 1 1242 . 1 1 111 111 HIS HB3 H 1 2.904 0.011 . 2 . . . . 111 H HB3 . 16175 1 1243 . 1 1 111 111 HIS HD2 H 1 7.263 0.019 . 1 . . . . 111 H HD2 . 16175 1 1244 . 1 1 111 111 HIS HE1 H 1 8.426 0.012 . 1 . . . . 111 H HE1 . 16175 1 1245 . 1 1 111 111 HIS C C 13 177.534 0.2 . 1 . . . . 111 H CO . 16175 1 1246 . 1 1 111 111 HIS CA C 13 61.355 0.116 . 1 . . . . 111 H CA . 16175 1 1247 . 1 1 111 111 HIS CB C 13 31.241 0.215 . 1 . . . . 111 H CB . 16175 1 1248 . 1 1 111 111 HIS N N 15 116.403 0.037 . 1 . . . . 111 H N . 16175 1 1249 . 1 1 112 112 LYS H H 1 8.613 0.004 . 1 . . . . 112 K H . 16175 1 1250 . 1 1 112 112 LYS HA H 1 3.471 0.012 . 1 . . . . 112 K HA . 16175 1 1251 . 1 1 112 112 LYS HB2 H 1 1.224 0.010 . 2 . . . . 112 K HB2 . 16175 1 1252 . 1 1 112 112 LYS HB3 H 1 0.882 0.009 . 2 . . . . 112 K HB3 . 16175 1 1253 . 1 1 112 112 LYS HD2 H 1 1.439 0.019 . 2 . . . . 112 K HD2 . 16175 1 1254 . 1 1 112 112 LYS HD3 H 1 1.323 0.009 . 2 . . . . 112 K HD3 . 16175 1 1255 . 1 1 112 112 LYS HE2 H 1 2.608 0.011 . 2 . . . . 112 K HE2 . 16175 1 1256 . 1 1 112 112 LYS HG2 H 1 0.885 0.012 . 2 . . . . 112 K HG2 . 16175 1 1257 . 1 1 112 112 LYS C C 13 176.512 0.2 . 1 . . . . 112 K CO . 16175 1 1258 . 1 1 112 112 LYS CA C 13 60.100 0.196 . 1 . . . . 112 K CA . 16175 1 1259 . 1 1 112 112 LYS CB C 13 31.697 0.079 . 1 . . . . 112 K CB . 16175 1 1260 . 1 1 112 112 LYS CD C 13 29.894 0.148 . 1 . . . . 112 K CD . 16175 1 1261 . 1 1 112 112 LYS CE C 13 41.584 0.076 . 1 . . . . 112 K CE . 16175 1 1262 . 1 1 112 112 LYS CG C 13 24.702 0.059 . 1 . . . . 112 K CG . 16175 1 1263 . 1 1 112 112 LYS N N 15 117.258 0.059 . 1 . . . . 112 K N . 16175 1 1264 . 1 1 113 113 CYS H H 1 7.526 0.005 . 1 . . . . 113 C H . 16175 1 1265 . 1 1 113 113 CYS HA H 1 3.650 0.013 . 1 . . . . 113 C HA . 16175 1 1266 . 1 1 113 113 CYS HB2 H 1 1.677 0.012 . 2 . . . . 113 C HB2 . 16175 1 1267 . 1 1 113 113 CYS HB3 H 1 2.531 0.012 . 2 . . . . 113 C HB3 . 16175 1 1268 . 1 1 113 113 CYS C C 13 178.081 0.2 . 1 . . . . 113 C CO . 16175 1 1269 . 1 1 113 113 CYS CA C 13 60.855 0.140 . 1 . . . . 113 C CA . 16175 1 1270 . 1 1 113 113 CYS CB C 13 39.253 0.080 . 1 . . . . 113 C CB . 16175 1 1271 . 1 1 113 113 CYS N N 15 119.692 0.026 . 1 . . . . 113 C N . 16175 1 1272 . 1 1 114 114 TRP H H 1 8.885 0.012 . 1 . . . . 114 W H . 16175 1 1273 . 1 1 114 114 TRP HA H 1 4.451 0.012 . 1 . . . . 114 W HA . 16175 1 1274 . 1 1 114 114 TRP HB2 H 1 3.530 0.011 . 2 . . . . 114 W HB2 . 16175 1 1275 . 1 1 114 114 TRP HD1 H 1 7.070 0.005 . 1 . . . . 114 W HD1 . 16175 1 1276 . 1 1 114 114 TRP HE1 H 1 10.145 0.005 . 1 . . . . 114 W HE1 . 16175 1 1277 . 1 1 114 114 TRP HE3 H 1 7.220 0.005 . 1 . . . . 114 W HE3 . 16175 1 1278 . 1 1 114 114 TRP HH2 H 1 6.965 0.002 . 1 . . . . 114 W HH2 . 16175 1 1279 . 1 1 114 114 TRP HZ2 H 1 7.099 0.013 . 1 . . . . 114 W HZ2 . 16175 1 1280 . 1 1 114 114 TRP HZ3 H 1 6.198 0.007 . 1 . . . . 114 W HZ3 . 16175 1 1281 . 1 1 114 114 TRP C C 13 177.401 0.2 . 1 . . . . 114 W CO . 16175 1 1282 . 1 1 114 114 TRP CA C 13 58.387 0.210 . 1 . . . . 114 W CA . 16175 1 1283 . 1 1 114 114 TRP CB C 13 29.331 0.086 . 1 . . . . 114 W CB . 16175 1 1284 . 1 1 114 114 TRP N N 15 123.389 0.019 . 1 . . . . 114 W N . 16175 1 1285 . 1 1 114 114 TRP NE1 N 15 129.848 0.064 . 1 . . . . 114 W NE1 . 16175 1 1286 . 1 1 115 115 LYS H H 1 8.268 0.010 . 1 . . . . 115 K H . 16175 1 1287 . 1 1 115 115 LYS HA H 1 3.477 0.011 . 1 . . . . 115 K HA . 16175 1 1288 . 1 1 115 115 LYS HB2 H 1 1.189 0.018 . 2 . . . . 115 K HB2 . 16175 1 1289 . 1 1 115 115 LYS HB3 H 1 0.318 0.013 . 2 . . . . 115 K HB3 . 16175 1 1290 . 1 1 115 115 LYS HD2 H 1 0.522 0.020 . 2 . . . . 115 K HD2 . 16175 1 1291 . 1 1 115 115 LYS HD3 H 1 1.084 0.022 . 2 . . . . 115 K HD3 . 16175 1 1292 . 1 1 115 115 LYS HE2 H 1 2.371 0.015 . 2 . . . . 115 K HE2 . 16175 1 1293 . 1 1 115 115 LYS HE3 H 1 2.611 0.011 . 2 . . . . 115 K HE3 . 16175 1 1294 . 1 1 115 115 LYS HG2 H 1 0.767 0.016 . 2 . . . . 115 K HG2 . 16175 1 1295 . 1 1 115 115 LYS C C 13 178.157 0.2 . 1 . . . . 115 K CO . 16175 1 1296 . 1 1 115 115 LYS CA C 13 59.488 0.100 . 1 . . . . 115 K CA . 16175 1 1297 . 1 1 115 115 LYS CB C 13 32.918 0.113 . 1 . . . . 115 K CB . 16175 1 1298 . 1 1 115 115 LYS CD C 13 29.619 0.071 . 1 . . . . 115 K CD . 16175 1 1299 . 1 1 115 115 LYS CE C 13 44.617 0.187 . 1 . . . . 115 K CE . 16175 1 1300 . 1 1 115 115 LYS CG C 13 25.753 0.091 . 1 . . . . 115 K CG . 16175 1 1301 . 1 1 115 115 LYS N N 15 119.815 0.131 . 1 . . . . 115 K N . 16175 1 1302 . 1 1 116 116 GLN H H 1 7.848 0.003 . 1 . . . . 116 Q H . 16175 1 1303 . 1 1 116 116 GLN HA H 1 3.903 0.009 . 1 . . . . 116 Q HA . 16175 1 1304 . 1 1 116 116 GLN HB2 H 1 2.023 0.010 . 2 . . . . 116 Q HB2 . 16175 1 1305 . 1 1 116 116 GLN HB3 H 1 1.859 0.007 . 2 . . . . 116 Q HB3 . 16175 1 1306 . 1 1 116 116 GLN HE21 H 1 6.707 0.003 . 2 . . . . 116 Q HE21 . 16175 1 1307 . 1 1 116 116 GLN HE22 H 1 6.988 0.004 . 2 . . . . 116 Q HE22 . 16175 1 1308 . 1 1 116 116 GLN HG2 H 1 2.017 0.011 . 2 . . . . 116 Q HG2 . 16175 1 1309 . 1 1 116 116 GLN HG3 H 1 2.518 0.010 . 2 . . . . 116 Q HG3 . 16175 1 1310 . 1 1 116 116 GLN C C 13 178.322 0.2 . 1 . . . . 116 Q CO . 16175 1 1311 . 1 1 116 116 GLN CA C 13 58.170 0.087 . 1 . . . . 116 Q CA . 16175 1 1312 . 1 1 116 116 GLN CB C 13 29.127 0.039 . 1 . . . . 116 Q CB . 16175 1 1313 . 1 1 116 116 GLN CD C 13 180.451 0.020 . 1 . . . . 116 Q CD . 16175 1 1314 . 1 1 116 116 GLN CG C 13 35.550 0.081 . 1 . . . . 116 Q CG . 16175 1 1315 . 1 1 116 116 GLN N N 15 113.106 0.034 . 1 . . . . 116 Q N . 16175 1 1316 . 1 1 116 116 GLN NE2 N 15 110.500 0.150 . 1 . . . . 116 Q NE2 . 16175 1 1317 . 1 1 117 117 ALA H H 1 8.108 0.004 . 1 . . . . 117 A H . 16175 1 1318 . 1 1 117 117 ALA HA H 1 4.130 0.012 . 1 . . . . 117 A HA . 16175 1 1319 . 1 1 117 117 ALA HB1 H 1 1.640 0.013 . 1 . . . . 117 A HB . 16175 1 1320 . 1 1 117 117 ALA HB2 H 1 1.640 0.013 . 1 . . . . 117 A HB . 16175 1 1321 . 1 1 117 117 ALA HB3 H 1 1.640 0.013 . 1 . . . . 117 A HB . 16175 1 1322 . 1 1 117 117 ALA C C 13 179.345 0.2 . 1 . . . . 117 A CO . 16175 1 1323 . 1 1 117 117 ALA CA C 13 54.509 0.107 . 1 . . . . 117 A CA . 16175 1 1324 . 1 1 117 117 ALA CB C 13 19.795 0.088 . 1 . . . . 117 A CB . 16175 1 1325 . 1 1 117 117 ALA N N 15 122.051 0.027 . 1 . . . . 117 A N . 16175 1 1326 . 1 1 118 118 ASP H H 1 7.897 0.018 . 1 . . . . 118 D H . 16175 1 1327 . 1 1 118 118 ASP HA H 1 4.878 0.014 . 1 . . . . 118 D HA . 16175 1 1328 . 1 1 118 118 ASP HB2 H 1 3.263 0.018 . 2 . . . . 118 D HB2 . 16175 1 1329 . 1 1 118 118 ASP HB3 H 1 2.525 0.025 . 2 . . . . 118 D HB3 . 16175 1 1330 . 1 1 118 118 ASP CA C 13 51.805 0.116 . 1 . . . . 118 D CA . 16175 1 1331 . 1 1 118 118 ASP CB C 13 40.842 0.202 . 1 . . . . 118 D CB . 16175 1 1332 . 1 1 118 118 ASP N N 15 111.892 0.017 . 1 . . . . 118 D N . 16175 1 1333 . 1 1 119 119 PRO HA H 1 4.563 0.010 . 1 . . . . 119 P HA . 16175 1 1334 . 1 1 119 119 PRO HB2 H 1 1.921 0.014 . 2 . . . . 119 P HB2 . 16175 1 1335 . 1 1 119 119 PRO HB3 H 1 2.439 0.014 . 2 . . . . 119 P HB3 . 16175 1 1336 . 1 1 119 119 PRO HD2 H 1 3.603 0.008 . 2 . . . . 119 P HD2 . 16175 1 1337 . 1 1 119 119 PRO HD3 H 1 3.813 0.012 . 2 . . . . 119 P HD3 . 16175 1 1338 . 1 1 119 119 PRO HG2 H 1 2.171 0.009 . 2 . . . . 119 P HG2 . 16175 1 1339 . 1 1 119 119 PRO HG3 H 1 1.940 0.012 . 2 . . . . 119 P HG3 . 16175 1 1340 . 1 1 119 119 PRO C C 13 178.017 0.2 . 1 . . . . 119 P CO . 16175 1 1341 . 1 1 119 119 PRO CA C 13 64.135 0.075 . 1 . . . . 119 P CA . 16175 1 1342 . 1 1 119 119 PRO CB C 13 31.747 0.107 . 1 . . . . 119 P CB . 16175 1 1343 . 1 1 119 119 PRO CD C 13 49.853 0.054 . 1 . . . . 119 P CD . 16175 1 1344 . 1 1 119 119 PRO CG C 13 27.118 0.078 . 1 . . . . 119 P CG . 16175 1 1345 . 1 1 120 120 LYS H H 1 7.476 0.006 . 1 . . . . 120 K H . 16175 1 1346 . 1 1 120 120 LYS HA H 1 3.976 0.011 . 1 . . . . 120 K HA . 16175 1 1347 . 1 1 120 120 LYS HB2 H 1 1.486 0.018 . 2 . . . . 120 K HB2 . 16175 1 1348 . 1 1 120 120 LYS HD2 H 1 0.104 0.021 . 2 . . . . 120 K HD2 . 16175 1 1349 . 1 1 120 120 LYS HD3 H 1 1.120 0.015 . 2 . . . . 120 K HD3 . 16175 1 1350 . 1 1 120 120 LYS HE2 H 1 2.721 0.015 . 2 . . . . 120 K HE2 . 16175 1 1351 . 1 1 120 120 LYS HG2 H 1 1.014 0.014 . 2 . . . . 120 K HG2 . 16175 1 1352 . 1 1 120 120 LYS HG3 H 1 1.204 0.006 . 2 . . . . 120 K HG3 . 16175 1 1353 . 1 1 120 120 LYS C C 13 177.327 0.2 . 1 . . . . 120 K CO . 16175 1 1354 . 1 1 120 120 LYS CA C 13 58.293 0.084 . 1 . . . . 120 K CA . 16175 1 1355 . 1 1 120 120 LYS CB C 13 32.471 0.116 . 1 . . . . 120 K CB . 16175 1 1356 . 1 1 120 120 LYS CD C 13 24.527 0.060 . 1 . . . . 120 K CD . 16175 1 1357 . 1 1 120 120 LYS CE C 13 41.772 0.186 . 1 . . . . 120 K CE . 16175 1 1358 . 1 1 120 120 LYS CG C 13 25.616 0.099 . 1 . . . . 120 K CG . 16175 1 1359 . 1 1 120 120 LYS N N 15 115.508 0.050 . 1 . . . . 120 K N . 16175 1 1360 . 1 1 121 121 HIS H H 1 7.190 0.004 . 1 . . . . 121 H H . 16175 1 1361 . 1 1 121 121 HIS HA H 1 4.767 0.012 . 1 . . . . 121 H HA . 16175 1 1362 . 1 1 121 121 HIS HB2 H 1 3.393 0.012 . 2 . . . . 121 H HB2 . 16175 1 1363 . 1 1 121 121 HIS HB3 H 1 2.672 0.013 . 2 . . . . 121 H HB3 . 16175 1 1364 . 1 1 121 121 HIS HD2 H 1 7.071 0.001 . 1 . . . . 121 H HD2 . 16175 1 1365 . 1 1 121 121 HIS HE1 H 1 7.522 0.015 . 1 . . . . 121 H HE1 . 16175 1 1366 . 1 1 121 121 HIS C C 13 175.766 0.2 . 1 . . . . 121 H CO . 16175 1 1367 . 1 1 121 121 HIS CA C 13 57.659 0.115 . 1 . . . . 121 H CA . 16175 1 1368 . 1 1 121 121 HIS CB C 13 29.218 0.077 . 1 . . . . 121 H CB . 16175 1 1369 . 1 1 121 121 HIS N N 15 112.469 0.089 . 1 . . . . 121 H N . 16175 1 1370 . 1 1 122 122 TYR H H 1 8.305 0.011 . 1 . . . . 122 Y H . 16175 1 1371 . 1 1 122 122 TYR HA H 1 3.835 0.043 . 1 . . . . 122 Y HA . 16175 1 1372 . 1 1 122 122 TYR HB2 H 1 3.029 0.027 . 2 . . . . 122 Y HB2 . 16175 1 1373 . 1 1 122 122 TYR HB3 H 1 3.222 0.011 . 2 . . . . 122 Y HB3 . 16175 1 1374 . 1 1 122 122 TYR HD1 H 1 7.049 0.011 . 3 . . . . 122 Y HD1 . 16175 1 1375 . 1 1 122 122 TYR HE1 H 1 7.247 0.010 . 3 . . . . 122 Y HE1 . 16175 1 1376 . 1 1 122 122 TYR CA C 13 62.286 0.076 . 1 . . . . 122 Y CA . 16175 1 1377 . 1 1 122 122 TYR CB C 13 39.133 0.088 . 1 . . . . 122 Y CB . 16175 1 1378 . 1 1 122 122 TYR N N 15 124.444 0.091 . 1 . . . . 122 Y N . 16175 1 1379 . 1 1 123 123 PHE HA H 1 4.385 0.007 . 1 . . . . 123 F HA . 16175 1 1380 . 1 1 123 123 PHE HB2 H 1 2.769 0.008 . 2 . . . . 123 F HB2 . 16175 1 1381 . 1 1 123 123 PHE HD1 H 1 7.530 0.006 . 3 . . . . 123 F HD1 . 16175 1 1382 . 1 1 123 123 PHE HE1 H 1 7.036 0.011 . 3 . . . . 123 F HE1 . 16175 1 1383 . 1 1 123 123 PHE HZ H 1 6.750 0.018 . 1 . . . . 123 F HZ . 16175 1 1384 . 1 1 123 123 PHE C C 13 174.936 0.2 . 1 . . . . 123 F CO . 16175 1 1385 . 1 1 123 123 PHE CA C 13 57.765 0.069 . 1 . . . . 123 F CA . 16175 1 1386 . 1 1 123 123 PHE CB C 13 38.865 0.202 . 1 . . . . 123 F CB . 16175 1 1387 . 1 1 123 123 PHE CD1 C 13 136.293 0.2 . 3 . . . . 123 F CD1 . 16175 1 1388 . 1 1 123 123 PHE CE1 C 13 131.084 0.023 . 3 . . . . 123 F CE1 . 16175 1 1389 . 1 1 123 123 PHE CZ C 13 136.963 0.007 . 1 . . . . 123 F CZ . 16175 1 1390 . 1 1 124 124 LEU H H 1 7.928 0.005 . 1 . . . . 124 L H . 16175 1 1391 . 1 1 124 124 LEU HA H 1 4.292 0.027 . 1 . . . . 124 L HA . 16175 1 1392 . 1 1 124 124 LEU HB2 H 1 1.545 0.016 . 2 . . . . 124 L HB2 . 16175 1 1393 . 1 1 124 124 LEU HD11 H 1 0.812 0.012 . 2 . . . . 124 L HD1 . 16175 1 1394 . 1 1 124 124 LEU HD12 H 1 0.812 0.012 . 2 . . . . 124 L HD1 . 16175 1 1395 . 1 1 124 124 LEU HD13 H 1 0.812 0.012 . 2 . . . . 124 L HD1 . 16175 1 1396 . 1 1 124 124 LEU HD21 H 1 0.869 0.009 . 2 . . . . 124 L HD2 . 16175 1 1397 . 1 1 124 124 LEU HD22 H 1 0.869 0.009 . 2 . . . . 124 L HD2 . 16175 1 1398 . 1 1 124 124 LEU HD23 H 1 0.869 0.009 . 2 . . . . 124 L HD2 . 16175 1 1399 . 1 1 124 124 LEU HG H 1 1.550 0.020 . 1 . . . . 124 L HG . 16175 1 1400 . 1 1 124 124 LEU C C 13 175.872 0.2 . 1 . . . . 124 L CO . 16175 1 1401 . 1 1 124 124 LEU CA C 13 55.103 0.192 . 1 . . . . 124 L CA . 16175 1 1402 . 1 1 124 124 LEU CB C 13 42.364 0.106 . 1 . . . . 124 L CB . 16175 1 1403 . 1 1 124 124 LEU CD1 C 13 23.480 0.040 . 2 . . . . 124 L CD1 . 16175 1 1404 . 1 1 124 124 LEU CD2 C 13 25.059 0.086 . 2 . . . . 124 L CD2 . 16175 1 1405 . 1 1 124 124 LEU CG C 13 27.072 0.128 . 1 . . . . 124 L CG . 16175 1 1406 . 1 1 124 124 LEU N N 15 120.726 0.134 . 1 . . . . 124 L N . 16175 1 1407 . 1 1 125 125 VAL H H 1 7.534 0.008 . 1 . . . . 125 V H . 16175 1 1408 . 1 1 125 125 VAL HA H 1 3.544 0.002 . 1 . . . . 125 V HA . 16175 1 1409 . 1 1 125 125 VAL HB H 1 2.207 0.006 . 1 . . . . 125 V HB . 16175 1 1410 . 1 1 125 125 VAL HG11 H 1 0.923 0.003 . 2 . . . . 125 V HG1 . 16175 1 1411 . 1 1 125 125 VAL HG12 H 1 0.923 0.003 . 2 . . . . 125 V HG1 . 16175 1 1412 . 1 1 125 125 VAL HG13 H 1 0.923 0.003 . 2 . . . . 125 V HG1 . 16175 1 1413 . 1 1 125 125 VAL HG21 H 1 0.975 0.005 . 2 . . . . 125 V HG2 . 16175 1 1414 . 1 1 125 125 VAL HG22 H 1 0.975 0.005 . 2 . . . . 125 V HG2 . 16175 1 1415 . 1 1 125 125 VAL HG23 H 1 0.975 0.005 . 2 . . . . 125 V HG2 . 16175 1 1416 . 1 1 125 125 VAL CA C 13 63.235 0.172 . 1 . . . . 125 V CA . 16175 1 1417 . 1 1 125 125 VAL CB C 13 32.068 0.566 . 1 . . . . 125 V CB . 16175 1 1418 . 1 1 125 125 VAL CG1 C 13 19.342 0.054 . 2 . . . . 125 V CG1 . 16175 1 1419 . 1 1 125 125 VAL CG2 C 13 20.669 0.040 . 2 . . . . 125 V CG2 . 16175 1 1420 . 1 1 125 125 VAL N N 15 124.772 0.076 . 1 . . . . 125 V N . 16175 1 stop_ save_