data_51521 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51521 _Entry.Title ; Backbone and side chain NMR assignments for the ribosome maturation factor P (RimP) from Staphylococcus aureus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-20 _Entry.Accession_date 2022-07-20 _Entry.Last_release_date 2022-07-20 _Entry.Original_release_date 2022-07-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nataliia Garaeva . . . . 51521 2 Aydar Bikmullin . . . . 51521 3 Bulat Fatkhullin . . . . 51521 4 Shamil Validov . . . . 51521 5 Bruno Kieffer . . . . 51521 6 Marat Yusupov . . . . 51521 7 Konstantin Usachev . . . . 51521 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Kazan Federal University' . 51521 2 . IGBMC . 51521 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51521 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 502 51521 '15N chemical shifts' 137 51521 '1H chemical shifts' 570 51521 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 . . 2022-10-03 2022-07-20 update BMRB 'update entry citation' 51521 1 . . 2022-09-13 2022-07-20 original author 'original release' 51521 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51521 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36070063 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and side chain NMR assignments for the ribosome maturation factor P (RimP) from Staphylococcus aureus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _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 373 _Citation.Page_last 377 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nataliia Garaeva . . . . 51521 1 2 Aydar Bikmullin . . . . 51521 1 3 Bulat Fatkhullin . . . . 51521 1 4 Shamil Validov . . . . 51521 1 5 Bruno Kieffer . . . . 51521 1 6 Marat Yusupov . . . . 51521 1 7 Konstantin Usachev . . . . 51521 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51521 _Assembly.ID 1 _Assembly.Name RimP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 RimP 1 $entity_1 . . yes native no no . . . 51521 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51521 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASKITEQVEVIVKPIMEDL NFELVDVEYVKEGRDHFLRI SIDKEGGVDLNDCTLASEKI SEAMDANDPIPEMYYLDVAS PGAERPIKKEQDFQNAITKP VFVSLYVPIEGEKEWLGILQ EVNNETIVVQVKIKARTKDI EIPRDKIAKARHAVMI ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51521 1 2 . ALA . 51521 1 3 . SER . 51521 1 4 . LYS . 51521 1 5 . ILE . 51521 1 6 . THR . 51521 1 7 . GLU . 51521 1 8 . GLN . 51521 1 9 . VAL . 51521 1 10 . GLU . 51521 1 11 . VAL . 51521 1 12 . ILE . 51521 1 13 . VAL . 51521 1 14 . LYS . 51521 1 15 . PRO . 51521 1 16 . ILE . 51521 1 17 . MET . 51521 1 18 . GLU . 51521 1 19 . ASP . 51521 1 20 . LEU . 51521 1 21 . ASN . 51521 1 22 . PHE . 51521 1 23 . GLU . 51521 1 24 . LEU . 51521 1 25 . VAL . 51521 1 26 . ASP . 51521 1 27 . VAL . 51521 1 28 . GLU . 51521 1 29 . TYR . 51521 1 30 . VAL . 51521 1 31 . LYS . 51521 1 32 . GLU . 51521 1 33 . GLY . 51521 1 34 . ARG . 51521 1 35 . ASP . 51521 1 36 . HIS . 51521 1 37 . PHE . 51521 1 38 . LEU . 51521 1 39 . ARG . 51521 1 40 . ILE . 51521 1 41 . SER . 51521 1 42 . ILE . 51521 1 43 . ASP . 51521 1 44 . LYS . 51521 1 45 . GLU . 51521 1 46 . GLY . 51521 1 47 . GLY . 51521 1 48 . VAL . 51521 1 49 . ASP . 51521 1 50 . LEU . 51521 1 51 . ASN . 51521 1 52 . ASP . 51521 1 53 . CYS . 51521 1 54 . THR . 51521 1 55 . LEU . 51521 1 56 . ALA . 51521 1 57 . SER . 51521 1 58 . GLU . 51521 1 59 . LYS . 51521 1 60 . ILE . 51521 1 61 . SER . 51521 1 62 . GLU . 51521 1 63 . ALA . 51521 1 64 . MET . 51521 1 65 . ASP . 51521 1 66 . ALA . 51521 1 67 . ASN . 51521 1 68 . ASP . 51521 1 69 . PRO . 51521 1 70 . ILE . 51521 1 71 . PRO . 51521 1 72 . GLU . 51521 1 73 . MET . 51521 1 74 . TYR . 51521 1 75 . TYR . 51521 1 76 . LEU . 51521 1 77 . ASP . 51521 1 78 . VAL . 51521 1 79 . ALA . 51521 1 80 . SER . 51521 1 81 . PRO . 51521 1 82 . GLY . 51521 1 83 . ALA . 51521 1 84 . GLU . 51521 1 85 . ARG . 51521 1 86 . PRO . 51521 1 87 . ILE . 51521 1 88 . LYS . 51521 1 89 . LYS . 51521 1 90 . GLU . 51521 1 91 . GLN . 51521 1 92 . ASP . 51521 1 93 . PHE . 51521 1 94 . GLN . 51521 1 95 . ASN . 51521 1 96 . ALA . 51521 1 97 . ILE . 51521 1 98 . THR . 51521 1 99 . LYS . 51521 1 100 . PRO . 51521 1 101 . VAL . 51521 1 102 . PHE . 51521 1 103 . VAL . 51521 1 104 . SER . 51521 1 105 . LEU . 51521 1 106 . TYR . 51521 1 107 . VAL . 51521 1 108 . PRO . 51521 1 109 . ILE . 51521 1 110 . GLU . 51521 1 111 . GLY . 51521 1 112 . GLU . 51521 1 113 . LYS . 51521 1 114 . GLU . 51521 1 115 . TRP . 51521 1 116 . LEU . 51521 1 117 . GLY . 51521 1 118 . ILE . 51521 1 119 . LEU . 51521 1 120 . GLN . 51521 1 121 . GLU . 51521 1 122 . VAL . 51521 1 123 . ASN . 51521 1 124 . ASN . 51521 1 125 . GLU . 51521 1 126 . THR . 51521 1 127 . ILE . 51521 1 128 . VAL . 51521 1 129 . VAL . 51521 1 130 . GLN . 51521 1 131 . VAL . 51521 1 132 . LYS . 51521 1 133 . ILE . 51521 1 134 . LYS . 51521 1 135 . ALA . 51521 1 136 . ARG . 51521 1 137 . THR . 51521 1 138 . LYS . 51521 1 139 . ASP . 51521 1 140 . ILE . 51521 1 141 . GLU . 51521 1 142 . ILE . 51521 1 143 . PRO . 51521 1 144 . ARG . 51521 1 145 . ASP . 51521 1 146 . LYS . 51521 1 147 . ILE . 51521 1 148 . ALA . 51521 1 149 . LYS . 51521 1 150 . ALA . 51521 1 151 . ARG . 51521 1 152 . HIS . 51521 1 153 . ALA . 51521 1 154 . VAL . 51521 1 155 . MET . 51521 1 156 . ILE . 51521 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51521 1 . ALA 2 2 51521 1 . SER 3 3 51521 1 . LYS 4 4 51521 1 . ILE 5 5 51521 1 . THR 6 6 51521 1 . GLU 7 7 51521 1 . GLN 8 8 51521 1 . VAL 9 9 51521 1 . GLU 10 10 51521 1 . VAL 11 11 51521 1 . ILE 12 12 51521 1 . VAL 13 13 51521 1 . LYS 14 14 51521 1 . PRO 15 15 51521 1 . ILE 16 16 51521 1 . MET 17 17 51521 1 . GLU 18 18 51521 1 . ASP 19 19 51521 1 . LEU 20 20 51521 1 . ASN 21 21 51521 1 . PHE 22 22 51521 1 . GLU 23 23 51521 1 . LEU 24 24 51521 1 . VAL 25 25 51521 1 . ASP 26 26 51521 1 . VAL 27 27 51521 1 . GLU 28 28 51521 1 . TYR 29 29 51521 1 . VAL 30 30 51521 1 . LYS 31 31 51521 1 . GLU 32 32 51521 1 . GLY 33 33 51521 1 . ARG 34 34 51521 1 . ASP 35 35 51521 1 . HIS 36 36 51521 1 . PHE 37 37 51521 1 . LEU 38 38 51521 1 . ARG 39 39 51521 1 . ILE 40 40 51521 1 . SER 41 41 51521 1 . ILE 42 42 51521 1 . ASP 43 43 51521 1 . LYS 44 44 51521 1 . GLU 45 45 51521 1 . GLY 46 46 51521 1 . GLY 47 47 51521 1 . VAL 48 48 51521 1 . ASP 49 49 51521 1 . LEU 50 50 51521 1 . ASN 51 51 51521 1 . ASP 52 52 51521 1 . CYS 53 53 51521 1 . THR 54 54 51521 1 . LEU 55 55 51521 1 . ALA 56 56 51521 1 . SER 57 57 51521 1 . GLU 58 58 51521 1 . LYS 59 59 51521 1 . ILE 60 60 51521 1 . SER 61 61 51521 1 . GLU 62 62 51521 1 . ALA 63 63 51521 1 . MET 64 64 51521 1 . ASP 65 65 51521 1 . ALA 66 66 51521 1 . ASN 67 67 51521 1 . ASP 68 68 51521 1 . PRO 69 69 51521 1 . ILE 70 70 51521 1 . PRO 71 71 51521 1 . GLU 72 72 51521 1 . MET 73 73 51521 1 . TYR 74 74 51521 1 . TYR 75 75 51521 1 . LEU 76 76 51521 1 . ASP 77 77 51521 1 . VAL 78 78 51521 1 . ALA 79 79 51521 1 . SER 80 80 51521 1 . PRO 81 81 51521 1 . GLY 82 82 51521 1 . ALA 83 83 51521 1 . GLU 84 84 51521 1 . ARG 85 85 51521 1 . PRO 86 86 51521 1 . ILE 87 87 51521 1 . LYS 88 88 51521 1 . LYS 89 89 51521 1 . GLU 90 90 51521 1 . GLN 91 91 51521 1 . ASP 92 92 51521 1 . PHE 93 93 51521 1 . GLN 94 94 51521 1 . ASN 95 95 51521 1 . ALA 96 96 51521 1 . ILE 97 97 51521 1 . THR 98 98 51521 1 . LYS 99 99 51521 1 . PRO 100 100 51521 1 . VAL 101 101 51521 1 . PHE 102 102 51521 1 . VAL 103 103 51521 1 . SER 104 104 51521 1 . LEU 105 105 51521 1 . TYR 106 106 51521 1 . VAL 107 107 51521 1 . PRO 108 108 51521 1 . ILE 109 109 51521 1 . GLU 110 110 51521 1 . GLY 111 111 51521 1 . GLU 112 112 51521 1 . LYS 113 113 51521 1 . GLU 114 114 51521 1 . TRP 115 115 51521 1 . LEU 116 116 51521 1 . GLY 117 117 51521 1 . ILE 118 118 51521 1 . LEU 119 119 51521 1 . GLN 120 120 51521 1 . GLU 121 121 51521 1 . VAL 122 122 51521 1 . ASN 123 123 51521 1 . ASN 124 124 51521 1 . GLU 125 125 51521 1 . THR 126 126 51521 1 . ILE 127 127 51521 1 . VAL 128 128 51521 1 . VAL 129 129 51521 1 . GLN 130 130 51521 1 . VAL 131 131 51521 1 . LYS 132 132 51521 1 . ILE 133 133 51521 1 . LYS 134 134 51521 1 . ALA 135 135 51521 1 . ARG 136 136 51521 1 . THR 137 137 51521 1 . LYS 138 138 51521 1 . ASP 139 139 51521 1 . ILE 140 140 51521 1 . GLU 141 141 51521 1 . ILE 142 142 51521 1 . PRO 143 143 51521 1 . ARG 144 144 51521 1 . ASP 145 145 51521 1 . LYS 146 146 51521 1 . ILE 147 147 51521 1 . ALA 148 148 51521 1 . LYS 149 149 51521 1 . ALA 150 150 51521 1 . ARG 151 151 51521 1 . HIS 152 152 51521 1 . ALA 153 153 51521 1 . VAL 154 154 51521 1 . MET 155 155 51521 1 . ILE 156 156 51521 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51521 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21Star(DE3) . . . . . . . . . . RimP . 51521 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51521 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pETGB1a . . . 51521 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51521 _Sample.ID 1 _Sample.Name RimP _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RimP '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 51521 1 2 'TrisHCl buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 51521 1 3 NaCl 'natural abundance' . . . . . . 250 . . mM . . . . 51521 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 51521 _Sample_condition_list.ID 1 _Sample_condition_list.Name RimP _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 51521 1 pH 7.4 . pH 51521 1 pressure 1 . atm 51521 1 temperature 298 . K 51521 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51521 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51521 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51521 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51521 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 2 '1D 13C' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 3 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 4 '2D 1H-13C HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 5 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 6 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 7 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 8 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 9 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 10 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 11 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 12 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 13 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 14 '3D 1H-13C NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51521 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51521 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na 'methyl carbon' . . . . ppm 0 na direct 1 . . . . . 51521 1 H 1 na 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 51521 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 51521 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51521 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 9 '3D HNCO' . . . 51521 1 10 '3D HNCA' . . . 51521 1 11 '3D HBHA(CO)NH' . . . 51521 1 12 '3D H(CCO)NH' . . . 51521 1 13 '3D 1H-15N NOESY' . . . 51521 1 14 '3D 1H-13C NOESY' . . . 51521 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51521 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 LYS CD C 13 24.714 . . 1 . . 1134 . . 4 LYS CD . 51521 1 2 . 1 . 1 5 5 ILE H H 1 7.868 0.039 . 1 . . 604 . . 5 ILE H . 51521 1 3 . 1 . 1 5 5 ILE HA H 1 3.596 0.008 . 1 . . 1388 . . 5 ILE HA . 51521 1 4 . 1 . 1 5 5 ILE HB H 1 1.657 0.006 . 1 . . 1389 . . 5 ILE HB . 51521 1 5 . 1 . 1 5 5 ILE C C 13 177.757 . . 1 . . 607 . . 5 ILE C . 51521 1 6 . 1 . 1 5 5 ILE CA C 13 64.227 0.013 . 1 . . 606 . . 5 ILE CA . 51521 1 7 . 1 . 1 5 5 ILE CB C 13 37.388 0.011 . 1 . . 1647 . . 5 ILE CB . 51521 1 8 . 1 . 1 5 5 ILE CG1 C 13 28.772 . . 1 . . 1793 . . 5 ILE CG1 . 51521 1 9 . 1 . 1 5 5 ILE CG2 C 13 16.873 . . 1 . . 1133 . . 5 ILE CG2 . 51521 1 10 . 1 . 1 5 5 ILE N N 15 120.942 0.02 . 1 . . 605 . . 5 ILE N . 51521 1 11 . 1 . 1 6 6 THR H H 1 8.136 0.039 . 1 . . 196 . . 6 THR H . 51521 1 12 . 1 . 1 6 6 THR HA H 1 3.483 0.008 . 1 . . 1390 . . 6 THR HA . 51521 1 13 . 1 . 1 6 6 THR HB H 1 4.116 0.011 . 1 . . 1040 . . 6 THR HB . 51521 1 14 . 1 . 1 6 6 THR C C 13 176.802 . . 1 . . 568 . . 6 THR C . 51521 1 15 . 1 . 1 6 6 THR CA C 13 66.786 0.015 . 1 . . 569 . . 6 THR CA . 51521 1 16 . 1 . 1 6 6 THR CB C 13 67.610 0.083 . 1 . . 934 . . 6 THR CB . 51521 1 17 . 1 . 1 6 6 THR CG2 C 13 23.097 . . 1 . . 1132 . . 6 THR CG2 . 51521 1 18 . 1 . 1 6 6 THR N N 15 111.809 0.028 . 1 . . 197 . . 6 THR N . 51521 1 19 . 1 . 1 7 7 GLU H H 1 7.545 0.03 . 1 . . 89 . . 7 GLU H . 51521 1 20 . 1 . 1 7 7 GLU HA H 1 4.063 0.01 . 1 . . 1392 . . 7 GLU HA . 51521 1 21 . 1 . 1 7 7 GLU HB2 H 1 2.069 0.007 . 2 . . 1391 . . 7 GLU HB2 . 51521 1 22 . 1 . 1 7 7 GLU HB3 H 1 2.139 0.002 . 2 . . 1576 . . 7 GLU HB3 . 51521 1 23 . 1 . 1 7 7 GLU HG2 H 1 2.364 0.004 . 2 . . 1570 . . 7 GLU HG2 . 51521 1 24 . 1 . 1 7 7 GLU HG3 H 1 2.224 0.006 . 2 . . 1571 . . 7 GLU HG3 . 51521 1 25 . 1 . 1 7 7 GLU C C 13 178.871 . . 1 . . 454 . . 7 GLU C . 51521 1 26 . 1 . 1 7 7 GLU CA C 13 59.436 0.023 . 1 . . 452 . . 7 GLU CA . 51521 1 27 . 1 . 1 7 7 GLU CB C 13 29.607 0.027 . 1 . . 453 . . 7 GLU CB . 51521 1 28 . 1 . 1 7 7 GLU CG C 13 36.655 0.111 . 1 . . 1131 . . 7 GLU CG . 51521 1 29 . 1 . 1 7 7 GLU N N 15 122.493 0.021 . 1 . . 90 . . 7 GLU N . 51521 1 30 . 1 . 1 8 8 GLN H H 1 7.647 0.028 . 1 . . 95 . . 8 GLN H . 51521 1 31 . 1 . 1 8 8 GLN HA H 1 3.990 0.015 . 1 . . 1393 . . 8 GLN HA . 51521 1 32 . 1 . 1 8 8 GLN HB2 H 1 1.926 0.005 . 2 . . 1394 . . 8 GLN HB2 . 51521 1 33 . 1 . 1 8 8 GLN HB3 H 1 1.959 0.009 . 2 . . 1572 . . 8 GLN HB3 . 51521 1 34 . 1 . 1 8 8 GLN HG2 H 1 2.280 0.008 . 2 . . 1573 . . 8 GLN HG2 . 51521 1 35 . 1 . 1 8 8 GLN HG3 H 1 2.456 0.009 . 2 . . 1574 . . 8 GLN HG3 . 51521 1 36 . 1 . 1 8 8 GLN C C 13 179.181 . . 1 . . 461 . . 8 GLN C . 51521 1 37 . 1 . 1 8 8 GLN CA C 13 58.701 0.034 . 1 . . 459 . . 8 GLN CA . 51521 1 38 . 1 . 1 8 8 GLN CB C 13 28.867 0.053 . 1 . . 460 . . 8 GLN CB . 51521 1 39 . 1 . 1 8 8 GLN CG C 13 34.478 0.012 . 1 . . 1130 . . 8 GLN CG . 51521 1 40 . 1 . 1 8 8 GLN N N 15 118.579 0.001 . 1 . . 96 . . 8 GLN N . 51521 1 41 . 1 . 1 9 9 VAL H H 1 8.294 0.024 . 1 . . 7 . . 9 VAL H . 51521 1 42 . 1 . 1 9 9 VAL HA H 1 3.443 0.01 . 1 . . 1396 . . 9 VAL HA . 51521 1 43 . 1 . 1 9 9 VAL HB H 1 2.004 0.015 . 1 . . 1397 . . 9 VAL HB . 51521 1 44 . 1 . 1 9 9 VAL HG11 H 1 0.784 0.009 . 1 . . 1575 . . 9 VAL HG11 . 51521 1 45 . 1 . 1 9 9 VAL HG12 H 1 0.784 0.009 . 1 . . 1575 . . 9 VAL HG12 . 51521 1 46 . 1 . 1 9 9 VAL HG13 H 1 0.784 0.009 . 1 . . 1575 . . 9 VAL HG13 . 51521 1 47 . 1 . 1 9 9 VAL C C 13 177.577 0.009 . 1 . . 360 . . 9 VAL C . 51521 1 48 . 1 . 1 9 9 VAL CA C 13 66.773 0.033 . 1 . . 358 . . 9 VAL CA . 51521 1 49 . 1 . 1 9 9 VAL CB C 13 31.300 0.043 . 1 . . 359 . . 9 VAL CB . 51521 1 50 . 1 . 1 9 9 VAL CG1 C 13 23.322 0.019 . 2 . . 1128 . . 9 VAL CG1 . 51521 1 51 . 1 . 1 9 9 VAL CG2 C 13 22.734 . . 2 . . 1129 . . 9 VAL CG2 . 51521 1 52 . 1 . 1 9 9 VAL N N 15 119.121 0.008 . 1 . . 8 . . 9 VAL N . 51521 1 53 . 1 . 1 10 10 GLU H H 1 8.344 0.029 . 1 . . 348 . . 10 GLU H . 51521 1 54 . 1 . 1 10 10 GLU HA H 1 3.594 0.007 . 1 . . 1398 . . 10 GLU HA . 51521 1 55 . 1 . 1 10 10 GLU HB2 H 1 2.054 0.003 . 2 . . 1577 . . 10 GLU HB2 . 51521 1 56 . 1 . 1 10 10 GLU HB3 H 1 2.161 0.006 . 2 . . 1578 . . 10 GLU HB3 . 51521 1 57 . 1 . 1 10 10 GLU HG2 H 1 2.175 0.008 . 1 . . 1579 . . 10 GLU HG2 . 51521 1 58 . 1 . 1 10 10 GLU C C 13 177.147 . . 1 . . 741 . . 10 GLU C . 51521 1 59 . 1 . 1 10 10 GLU CA C 13 61.304 0.023 . 1 . . 742 . . 10 GLU CA . 51521 1 60 . 1 . 1 10 10 GLU CB C 13 29.629 0.021 . 1 . . 743 . . 10 GLU CB . 51521 1 61 . 1 . 1 10 10 GLU CG C 13 36.821 0.058 . 1 . . 1127 . . 10 GLU CG . 51521 1 62 . 1 . 1 10 10 GLU N N 15 121.429 0.029 . 1 . . 349 . . 10 GLU N . 51521 1 63 . 1 . 1 11 11 VAL H H 1 7.230 0.021 . 1 . . 344 . . 11 VAL H . 51521 1 64 . 1 . 1 11 11 VAL HA H 1 3.632 0.011 . 1 . . 1403 . . 11 VAL HA . 51521 1 65 . 1 . 1 11 11 VAL HB H 1 2.154 0.01 . 1 . . 1402 . . 11 VAL HB . 51521 1 66 . 1 . 1 11 11 VAL HG11 H 1 0.910 0.011 . 2 . . 1580 . . 11 VAL HG11 . 51521 1 67 . 1 . 1 11 11 VAL HG12 H 1 0.910 0.011 . 2 . . 1580 . . 11 VAL HG12 . 51521 1 68 . 1 . 1 11 11 VAL HG13 H 1 0.910 0.011 . 2 . . 1580 . . 11 VAL HG13 . 51521 1 69 . 1 . 1 11 11 VAL HG21 H 1 1.081 0.015 . 2 . . 1581 . . 11 VAL HG21 . 51521 1 70 . 1 . 1 11 11 VAL HG22 H 1 1.081 0.015 . 2 . . 1581 . . 11 VAL HG22 . 51521 1 71 . 1 . 1 11 11 VAL HG23 H 1 1.081 0.015 . 2 . . 1581 . . 11 VAL HG23 . 51521 1 72 . 1 . 1 11 11 VAL C C 13 178.379 . . 1 . . 736 . . 11 VAL C . 51521 1 73 . 1 . 1 11 11 VAL CA C 13 65.854 0.106 . 1 . . 737 . . 11 VAL CA . 51521 1 74 . 1 . 1 11 11 VAL CB C 13 31.878 0.017 . 1 . . 738 . . 11 VAL CB . 51521 1 75 . 1 . 1 11 11 VAL CG1 C 13 21.282 0.021 . 2 . . 1126 . . 11 VAL CG1 . 51521 1 76 . 1 . 1 11 11 VAL CG2 C 13 22.622 0.03 . 2 . . 1125 . . 11 VAL CG2 . 51521 1 77 . 1 . 1 11 11 VAL N N 15 115.954 0.005 . 1 . . 345 . . 11 VAL N . 51521 1 78 . 1 . 1 12 12 ILE H H 1 7.188 0.032 . 1 . . 233 . . 12 ILE H . 51521 1 79 . 1 . 1 12 12 ILE HA H 1 3.708 0.012 . 1 . . 1405 . . 12 ILE HA . 51521 1 80 . 1 . 1 12 12 ILE HB H 1 1.822 0.011 . 1 . . 1404 . . 12 ILE HB . 51521 1 81 . 1 . 1 12 12 ILE HG12 H 1 0.960 0.026 . 2 . . 1582 . . 12 ILE HG12 . 51521 1 82 . 1 . 1 12 12 ILE HG13 H 1 0.769 0.019 . 2 . . 1583 . . 12 ILE HG13 . 51521 1 83 . 1 . 1 12 12 ILE C C 13 177.849 . . 1 . . 612 . . 12 ILE C . 51521 1 84 . 1 . 1 12 12 ILE CA C 13 64.267 0.079 . 1 . . 613 . . 12 ILE CA . 51521 1 85 . 1 . 1 12 12 ILE CB C 13 39.540 0.059 . 1 . . 614 . . 12 ILE CB . 51521 1 86 . 1 . 1 12 12 ILE CG2 C 13 17.478 0.024 . 1 . . 1124 . . 12 ILE CG2 . 51521 1 87 . 1 . 1 12 12 ILE N N 15 119.240 0.036 . 1 . . 234 . . 12 ILE N . 51521 1 88 . 1 . 1 13 13 VAL H H 1 8.515 0.032 . 1 . . 37 . . 13 VAL H . 51521 1 89 . 1 . 1 13 13 VAL HA H 1 3.890 0.004 . 1 . . 1407 . . 13 VAL HA . 51521 1 90 . 1 . 1 13 13 VAL HB H 1 2.047 0.013 . 1 . . 1406 . . 13 VAL HB . 51521 1 91 . 1 . 1 13 13 VAL HG11 H 1 0.787 0.021 . 1 . . 1585 . . 13 VAL HG11 . 51521 1 92 . 1 . 1 13 13 VAL HG12 H 1 0.787 0.021 . 1 . . 1585 . . 13 VAL HG12 . 51521 1 93 . 1 . 1 13 13 VAL HG13 H 1 0.787 0.021 . 1 . . 1585 . . 13 VAL HG13 . 51521 1 94 . 1 . 1 13 13 VAL C C 13 177.350 . . 1 . . 398 . . 13 VAL C . 51521 1 95 . 1 . 1 13 13 VAL CA C 13 64.625 0.046 . 1 . . 400 . . 13 VAL CA . 51521 1 96 . 1 . 1 13 13 VAL CB C 13 32.594 0.061 . 1 . . 399 . . 13 VAL CB . 51521 1 97 . 1 . 1 13 13 VAL CG1 C 13 22.998 0.034 . 1 . . 1123 . . 13 VAL CG1 . 51521 1 98 . 1 . 1 13 13 VAL N N 15 113.509 0.019 . 1 . . 38 . . 13 VAL N . 51521 1 99 . 1 . 1 14 14 LYS H H 1 8.512 0.026 . 1 . . 75 . . 14 LYS H . 51521 1 100 . 1 . 1 14 14 LYS HA H 1 3.968 0.015 . 1 . . 1409 . . 14 LYS HA . 51521 1 101 . 1 . 1 14 14 LYS HB2 H 1 1.914 . . 1 . . 1408 . . 14 LYS HB2 . 51521 1 102 . 1 . 1 14 14 LYS C C 13 175.058 . . 1 . . 436 . . 14 LYS C . 51521 1 103 . 1 . 1 14 14 LYS CA C 13 62.979 0.029 . 1 . . 437 . . 14 LYS CA . 51521 1 104 . 1 . 1 14 14 LYS CB C 13 30.181 . . 1 . . 438 . . 14 LYS CB . 51521 1 105 . 1 . 1 14 14 LYS N N 15 124.035 0.005 . 1 . . 76 . . 14 LYS N . 51521 1 106 . 1 . 1 15 15 PRO CG C 13 28.233 . . 1 . . 1122 . . 15 PRO CG . 51521 1 107 . 1 . 1 16 16 ILE H H 1 6.604 0.024 . 1 . . 57 . . 16 ILE H . 51521 1 108 . 1 . 1 16 16 ILE HA H 1 3.792 0.018 . 1 . . 1411 . . 16 ILE HA . 51521 1 109 . 1 . 1 16 16 ILE HB H 1 1.976 0.007 . 1 . . 1410 . . 16 ILE HB . 51521 1 110 . 1 . 1 16 16 ILE HG12 H 1 0.796 0.008 . 1 . . 1586 . . 16 ILE HG12 . 51521 1 111 . 1 . 1 16 16 ILE C C 13 178.361 0.018 . 1 . . 420 . . 16 ILE C . 51521 1 112 . 1 . 1 16 16 ILE CA C 13 63.683 0.008 . 1 . . 419 . . 16 ILE CA . 51521 1 113 . 1 . 1 16 16 ILE CB C 13 37.835 0.029 . 1 . . 982 . . 16 ILE CB . 51521 1 114 . 1 . 1 16 16 ILE CG2 C 13 17.750 0.058 . 1 . . 1121 . . 16 ILE CG2 . 51521 1 115 . 1 . 1 16 16 ILE N N 15 117.553 0.002 . 1 . . 58 . . 16 ILE N . 51521 1 116 . 1 . 1 17 17 MET H H 1 7.947 0.037 . 1 . . 19 . . 17 MET H . 51521 1 117 . 1 . 1 17 17 MET HA H 1 4.063 0.005 . 1 . . 1412 . . 17 MET HA . 51521 1 118 . 1 . 1 17 17 MET HB2 H 1 2.025 0.002 . 1 . . 1721 . . 17 MET HB2 . 51521 1 119 . 1 . 1 17 17 MET C C 13 178.857 0.035 . 1 . . 376 . . 17 MET C . 51521 1 120 . 1 . 1 17 17 MET CA C 13 57.321 0.002 . 1 . . 374 . . 17 MET CA . 51521 1 121 . 1 . 1 17 17 MET CB C 13 32.953 . . 1 . . 375 . . 17 MET CB . 51521 1 122 . 1 . 1 17 17 MET N N 15 117.880 0.019 . 1 . . 20 . . 17 MET N . 51521 1 123 . 1 . 1 18 18 GLU H H 1 8.108 0.033 . 1 . . 652 . . 18 GLU H . 51521 1 124 . 1 . 1 18 18 GLU HA H 1 4.105 0.006 . 1 . . 1414 . . 18 GLU HA . 51521 1 125 . 1 . 1 18 18 GLU HB2 H 1 2.019 0.003 . 2 . . 1413 . . 18 GLU HB2 . 51521 1 126 . 1 . 1 18 18 GLU HB3 H 1 2.082 0.004 . 2 . . 1587 . . 18 GLU HB3 . 51521 1 127 . 1 . 1 18 18 GLU HG2 H 1 2.114 0.004 . 1 . . 1588 . . 18 GLU HG2 . 51521 1 128 . 1 . 1 18 18 GLU C C 13 180.440 0.013 . 1 . . 974 . . 18 GLU C . 51521 1 129 . 1 . 1 18 18 GLU CA C 13 59.622 0.045 . 1 . . 654 . . 18 GLU CA . 51521 1 130 . 1 . 1 18 18 GLU CB C 13 29.066 0.017 . 1 . . 655 . . 18 GLU CB . 51521 1 131 . 1 . 1 18 18 GLU CG C 13 36.687 0.01 . 1 . . 1120 . . 18 GLU CG . 51521 1 132 . 1 . 1 18 18 GLU N N 15 120.178 0.095 . 1 . . 653 . . 18 GLU N . 51521 1 133 . 1 . 1 19 19 ASP H H 1 7.687 0.026 . 1 . . 243 . . 19 ASP H . 51521 1 134 . 1 . 1 19 19 ASP HA H 1 4.343 0.005 . 1 . . 1418 . . 19 ASP HA . 51521 1 135 . 1 . 1 19 19 ASP HB2 H 1 2.598 0.012 . 2 . . 1419 . . 19 ASP HB2 . 51521 1 136 . 1 . 1 19 19 ASP HB3 H 1 2.777 0.008 . 2 . . 1420 . . 19 ASP HB3 . 51521 1 137 . 1 . 1 19 19 ASP C C 13 177.488 0.035 . 1 . . 623 . . 19 ASP C . 51521 1 138 . 1 . 1 19 19 ASP CA C 13 57.113 0.036 . 1 . . 625 . . 19 ASP CA . 51521 1 139 . 1 . 1 19 19 ASP CB C 13 40.948 0.054 . 1 . . 624 . . 19 ASP CB . 51521 1 140 . 1 . 1 19 19 ASP N N 15 121.094 0.043 . 1 . . 244 . . 19 ASP N . 51521 1 141 . 1 . 1 20 20 LEU H H 1 7.209 0.032 . 1 . . 680 . . 20 LEU H . 51521 1 142 . 1 . 1 20 20 LEU HA H 1 3.893 0.008 . 1 . . 1415 . . 20 LEU HA . 51521 1 143 . 1 . 1 20 20 LEU HB2 H 1 1.650 . . 2 . . 1794 . . 20 LEU HB2 . 51521 1 144 . 1 . 1 20 20 LEU HB3 H 1 1.716 . . 2 . . 1795 . . 20 LEU HB3 . 51521 1 145 . 1 . 1 20 20 LEU HD11 H 1 1.171 0.003 . 2 . . 1416 . . 20 LEU HD11 . 51521 1 146 . 1 . 1 20 20 LEU HD12 H 1 1.171 0.003 . 2 . . 1416 . . 20 LEU HD12 . 51521 1 147 . 1 . 1 20 20 LEU HD13 H 1 1.171 0.003 . 2 . . 1416 . . 20 LEU HD13 . 51521 1 148 . 1 . 1 20 20 LEU HD21 H 1 0.562 0.011 . 2 . . 1417 . . 20 LEU HD21 . 51521 1 149 . 1 . 1 20 20 LEU HD22 H 1 0.562 0.011 . 2 . . 1417 . . 20 LEU HD22 . 51521 1 150 . 1 . 1 20 20 LEU HD23 H 1 0.562 0.011 . 2 . . 1417 . . 20 LEU HD23 . 51521 1 151 . 1 . 1 20 20 LEU C C 13 175.027 0.015 . 1 . . 686 . . 20 LEU C . 51521 1 152 . 1 . 1 20 20 LEU CA C 13 54.417 0.056 . 1 . . 682 . . 20 LEU CA . 51521 1 153 . 1 . 1 20 20 LEU CB C 13 41.776 0.012 . 1 . . 684 . . 20 LEU CB . 51521 1 154 . 1 . 1 20 20 LEU CG C 13 25.825 . . 1 . . 1118 . . 20 LEU CG . 51521 1 155 . 1 . 1 20 20 LEU CD2 C 13 22.227 . . 1 . . 1119 . . 20 LEU CD2 . 51521 1 156 . 1 . 1 20 20 LEU N N 15 118.118 0.011 . 1 . . 681 . . 20 LEU N . 51521 1 157 . 1 . 1 21 21 ASN H H 1 7.729 0.031 . 1 . . 208 . . 21 ASN H . 51521 1 158 . 1 . 1 21 21 ASN HA H 1 4.231 0.004 . 1 . . 1421 . . 21 ASN HA . 51521 1 159 . 1 . 1 21 21 ASN HB2 H 1 3.014 0.009 . 2 . . 1422 . . 21 ASN HB2 . 51521 1 160 . 1 . 1 21 21 ASN HB3 H 1 2.795 0.016 . 2 . . 1423 . . 21 ASN HB3 . 51521 1 161 . 1 . 1 21 21 ASN C C 13 174.579 0.001 . 1 . . 582 . . 21 ASN C . 51521 1 162 . 1 . 1 21 21 ASN CA C 13 54.592 0.047 . 1 . . 1589 . . 21 ASN CA . 51521 1 163 . 1 . 1 21 21 ASN CB C 13 37.059 0.013 . 1 . . 580 . . 21 ASN CB . 51521 1 164 . 1 . 1 21 21 ASN N N 15 113.433 0.012 . 1 . . 209 . . 21 ASN N . 51521 1 165 . 1 . 1 22 22 PHE H H 1 8.097 0.021 . 1 . . 31 . . 22 PHE H . 51521 1 166 . 1 . 1 22 22 PHE HA H 1 5.285 0.009 . 1 . . 1424 . . 22 PHE HA . 51521 1 167 . 1 . 1 22 22 PHE HB2 H 1 3.107 0.014 . 2 . . 1425 . . 22 PHE HB2 . 51521 1 168 . 1 . 1 22 22 PHE HB3 H 1 2.940 0.01 . 2 . . 1426 . . 22 PHE HB3 . 51521 1 169 . 1 . 1 22 22 PHE C C 13 175.065 0.033 . 1 . . 391 . . 22 PHE C . 51521 1 170 . 1 . 1 22 22 PHE CA C 13 53.017 0.019 . 1 . . 390 . . 22 PHE CA . 51521 1 171 . 1 . 1 22 22 PHE CB C 13 40.615 0.011 . 1 . . 389 . . 22 PHE CB . 51521 1 172 . 1 . 1 22 22 PHE N N 15 117.136 0.024 . 1 . . 32 . . 22 PHE N . 51521 1 173 . 1 . 1 23 23 GLU H H 1 9.045 0.029 . 1 . . 297 . . 23 GLU H . 51521 1 174 . 1 . 1 23 23 GLU HA H 1 4.354 0.007 . 1 . . 1427 . . 23 GLU HA . 51521 1 175 . 1 . 1 23 23 GLU HB2 H 1 1.652 0.006 . 1 . . 1428 . . 23 GLU HB2 . 51521 1 176 . 1 . 1 23 23 GLU C C 13 175.813 0.019 . 1 . . 692 . . 23 GLU C . 51521 1 177 . 1 . 1 23 23 GLU CA C 13 54.654 0.041 . 1 . . 691 . . 23 GLU CA . 51521 1 178 . 1 . 1 23 23 GLU CB C 13 31.676 0.043 . 1 . . 690 . . 23 GLU CB . 51521 1 179 . 1 . 1 23 23 GLU CG C 13 35.569 . . 1 . . 1117 . . 23 GLU CG . 51521 1 180 . 1 . 1 23 23 GLU N N 15 121.920 0.0 . 1 . . 298 . . 23 GLU N . 51521 1 181 . 1 . 1 24 24 LEU H H 1 8.752 0.029 . 1 . . 15 . . 24 LEU H . 51521 1 182 . 1 . 1 24 24 LEU HA H 1 4.429 0.014 . 1 . . 1429 . . 24 LEU HA . 51521 1 183 . 1 . 1 24 24 LEU HB2 H 1 2.036 0.005 . 1 . . 1430 . . 24 LEU HB2 . 51521 1 184 . 1 . 1 24 24 LEU HG H 1 1.439 0.006 . 1 . . 1590 . . 24 LEU HG . 51521 1 185 . 1 . 1 24 24 LEU HD11 H 1 0.958 0.0 . 1 . . 1431 . . 24 LEU HD11 . 51521 1 186 . 1 . 1 24 24 LEU HD12 H 1 0.958 0.0 . 1 . . 1431 . . 24 LEU HD12 . 51521 1 187 . 1 . 1 24 24 LEU HD13 H 1 0.958 0.0 . 1 . . 1431 . . 24 LEU HD13 . 51521 1 188 . 1 . 1 24 24 LEU C C 13 175.305 . . 1 . . 367 . . 24 LEU C . 51521 1 189 . 1 . 1 24 24 LEU CA C 13 54.602 0.126 . 1 . . 368 . . 24 LEU CA . 51521 1 190 . 1 . 1 24 24 LEU CB C 13 42.602 0.063 . 1 . . 369 . . 24 LEU CB . 51521 1 191 . 1 . 1 24 24 LEU CG C 13 26.905 0.042 . 1 . . 1116 . . 24 LEU CG . 51521 1 192 . 1 . 1 24 24 LEU N N 15 126.673 0.002 . 1 . . 16 . . 24 LEU N . 51521 1 193 . 1 . 1 25 25 VAL H H 1 8.845 0.031 . 1 . . 73 . . 25 VAL H . 51521 1 194 . 1 . 1 25 25 VAL HA H 1 3.850 0.013 . 1 . . 1433 . . 25 VAL HA . 51521 1 195 . 1 . 1 25 25 VAL HB H 1 1.502 0.009 . 1 . . 1432 . . 25 VAL HB . 51521 1 196 . 1 . 1 25 25 VAL C C 13 175.539 . . 1 . . 435 . . 25 VAL C . 51521 1 197 . 1 . 1 25 25 VAL CA C 13 64.445 0.044 . 1 . . 434 . . 25 VAL CA . 51521 1 198 . 1 . 1 25 25 VAL CB C 13 32.428 0.002 . 1 . . 983 . . 25 VAL CB . 51521 1 199 . 1 . 1 25 25 VAL CG1 C 13 21.877 0.202 . 1 . . 1115 . . 25 VAL CG1 . 51521 1 200 . 1 . 1 25 25 VAL CG2 C 13 21.069 . . 1 . . 1797 . . 25 VAL CG2 . 51521 1 201 . 1 . 1 25 25 VAL N N 15 130.613 0.025 . 1 . . 74 . . 25 VAL N . 51521 1 202 . 1 . 1 26 26 ASP H H 1 7.672 0.03 . 1 . . 626 . . 26 ASP H . 51521 1 203 . 1 . 1 26 26 ASP HA H 1 4.808 0.011 . 1 . . 1435 . . 26 ASP HA . 51521 1 204 . 1 . 1 26 26 ASP HB2 H 1 2.594 0.011 . 2 . . 1436 . . 26 ASP HB2 . 51521 1 205 . 1 . 1 26 26 ASP HB3 H 1 2.425 0.008 . 2 . . 1437 . . 26 ASP HB3 . 51521 1 206 . 1 . 1 26 26 ASP C C 13 173.030 . . 1 . . 633 . . 26 ASP C . 51521 1 207 . 1 . 1 26 26 ASP CA C 13 53.869 0.0 . 1 . . 981 . . 26 ASP CA . 51521 1 208 . 1 . 1 26 26 ASP CB C 13 44.139 0.022 . 1 . . 628 . . 26 ASP CB . 51521 1 209 . 1 . 1 26 26 ASP N N 15 116.232 0.034 . 1 . . 627 . . 26 ASP N . 51521 1 210 . 1 . 1 27 27 VAL H H 1 8.068 0.034 . 1 . . 25 . . 27 VAL H . 51521 1 211 . 1 . 1 27 27 VAL HA H 1 4.524 0.002 . 1 . . 1438 . . 27 VAL HA . 51521 1 212 . 1 . 1 27 27 VAL HB H 1 1.934 0.012 . 1 . . 1439 . . 27 VAL HB . 51521 1 213 . 1 . 1 27 27 VAL C C 13 175.251 . . 1 . . 380 . . 27 VAL C . 51521 1 214 . 1 . 1 27 27 VAL CA C 13 61.940 0.027 . 1 . . 381 . . 27 VAL CA . 51521 1 215 . 1 . 1 27 27 VAL CB C 13 35.053 0.049 . 1 . . 382 . . 27 VAL CB . 51521 1 216 . 1 . 1 27 27 VAL CG1 C 13 21.457 . . 1 . . 1114 . . 27 VAL CG1 . 51521 1 217 . 1 . 1 27 27 VAL N N 15 120.560 0.0 . 1 . . 26 . . 27 VAL N . 51521 1 218 . 1 . 1 28 28 GLU H H 1 8.819 0.025 . 1 . . 69 . . 28 GLU H . 51521 1 219 . 1 . 1 28 28 GLU HA H 1 4.689 0.002 . 1 . . 1440 . . 28 GLU HA . 51521 1 220 . 1 . 1 28 28 GLU HB2 H 1 1.835 0.011 . 1 . . 1442 . . 28 GLU HB2 . 51521 1 221 . 1 . 1 28 28 GLU C C 13 173.437 0.006 . 1 . . 980 . . 28 GLU C . 51521 1 222 . 1 . 1 28 28 GLU CA C 13 54.864 0.014 . 1 . . 430 . . 28 GLU CA . 51521 1 223 . 1 . 1 28 28 GLU CB C 13 34.534 0.013 . 1 . . 429 . . 28 GLU CB . 51521 1 224 . 1 . 1 28 28 GLU CG C 13 36.877 . . 1 . . 1109 . . 28 GLU CG . 51521 1 225 . 1 . 1 28 28 GLU N N 15 126.247 0.002 . 1 . . 70 . . 28 GLU N . 51521 1 226 . 1 . 1 29 29 TYR H H 1 8.613 0.027 . 1 . . 111 . . 29 TYR H . 51521 1 227 . 1 . 1 29 29 TYR HA H 1 5.665 0.006 . 1 . . 1441 . . 29 TYR HA . 51521 1 228 . 1 . 1 29 29 TYR HB2 H 1 2.825 0.007 . 2 . . 1443 . . 29 TYR HB2 . 51521 1 229 . 1 . 1 29 29 TYR HB3 H 1 2.386 0.007 . 2 . . 1444 . . 29 TYR HB3 . 51521 1 230 . 1 . 1 29 29 TYR C C 13 174.561 0.011 . 1 . . 963 . . 29 TYR C . 51521 1 231 . 1 . 1 29 29 TYR CA C 13 56.417 0.031 . 1 . . 476 . . 29 TYR CA . 51521 1 232 . 1 . 1 29 29 TYR CB C 13 40.179 0.057 . 1 . . 475 . . 29 TYR CB . 51521 1 233 . 1 . 1 29 29 TYR N N 15 127.240 0.003 . 1 . . 112 . . 29 TYR N . 51521 1 234 . 1 . 1 30 30 VAL H H 1 8.732 0.018 . 1 . . 225 . . 30 VAL H . 51521 1 235 . 1 . 1 30 30 VAL HA H 1 4.400 0.006 . 1 . . 1448 . . 30 VAL HA . 51521 1 236 . 1 . 1 30 30 VAL HB H 1 1.898 0.007 . 1 . . 1449 . . 30 VAL HB . 51521 1 237 . 1 . 1 30 30 VAL C C 13 172.894 0.017 . 1 . . 600 . . 30 VAL C . 51521 1 238 . 1 . 1 30 30 VAL CA C 13 59.904 0.015 . 1 . . 599 . . 30 VAL CA . 51521 1 239 . 1 . 1 30 30 VAL CB C 13 35.987 0.053 . 1 . . 598 . . 30 VAL CB . 51521 1 240 . 1 . 1 30 30 VAL CG1 C 13 20.102 0.077 . 1 . . 1110 . . 30 VAL CG1 . 51521 1 241 . 1 . 1 30 30 VAL N N 15 124.823 0.002 . 1 . . 226 . . 30 VAL N . 51521 1 242 . 1 . 1 31 31 LYS H H 1 8.236 0.032 . 1 . . 103 . . 31 LYS H . 51521 1 243 . 1 . 1 31 31 LYS HA H 1 4.541 0.014 . 1 . . 1447 . . 31 LYS HA . 51521 1 244 . 1 . 1 31 31 LYS HB2 H 1 1.600 0.0 . 1 . . 1445 . . 31 LYS HB2 . 51521 1 245 . 1 . 1 31 31 LYS HG2 H 1 1.224 0.0 . 1 . . 1446 . . 31 LYS HG2 . 51521 1 246 . 1 . 1 31 31 LYS C C 13 176.049 0.008 . 1 . . 471 . . 31 LYS C . 51521 1 247 . 1 . 1 31 31 LYS CA C 13 54.840 0.005 . 1 . . 469 . . 31 LYS CA . 51521 1 248 . 1 . 1 31 31 LYS CB C 13 33.999 0.025 . 1 . . 470 . . 31 LYS CB . 51521 1 249 . 1 . 1 31 31 LYS CG C 13 24.469 . . 1 . . 1111 . . 31 LYS CG . 51521 1 250 . 1 . 1 31 31 LYS N N 15 126.058 0.061 . 1 . . 104 . . 31 LYS N . 51521 1 251 . 1 . 1 32 32 GLU H H 1 8.632 0.034 . 1 . . 71 . . 32 GLU H . 51521 1 252 . 1 . 1 32 32 GLU HA H 1 4.440 0.006 . 1 . . 1451 . . 32 GLU HA . 51521 1 253 . 1 . 1 32 32 GLU HB2 H 1 1.807 0.008 . 1 . . 1450 . . 32 GLU HB2 . 51521 1 254 . 1 . 1 32 32 GLU C C 13 175.928 . . 1 . . 1139 . . 32 GLU C . 51521 1 255 . 1 . 1 32 32 GLU CA C 13 55.277 0.083 . 1 . . 432 . . 32 GLU CA . 51521 1 256 . 1 . 1 32 32 GLU CB C 13 31.191 0.053 . 1 . . 433 . . 32 GLU CB . 51521 1 257 . 1 . 1 32 32 GLU N N 15 128.959 0.001 . 1 . . 72 . . 32 GLU N . 51521 1 258 . 1 . 1 35 35 ASP H H 1 7.601 0.022 . 1 . . 285 . . 35 ASP H . 51521 1 259 . 1 . 1 35 35 ASP HA H 1 4.836 0.011 . 1 . . 1523 . . 35 ASP HA . 51521 1 260 . 1 . 1 35 35 ASP HB2 H 1 2.284 0.005 . 2 . . 1524 . . 35 ASP HB2 . 51521 1 261 . 1 . 1 35 35 ASP HB3 H 1 2.607 0.008 . 2 . . 1525 . . 35 ASP HB3 . 51521 1 262 . 1 . 1 35 35 ASP C C 13 173.493 . . 1 . . 674 . . 35 ASP C . 51521 1 263 . 1 . 1 35 35 ASP CA C 13 53.896 0.003 . 1 . . 676 . . 35 ASP CA . 51521 1 264 . 1 . 1 35 35 ASP CB C 13 45.065 0.003 . 1 . . 675 . . 35 ASP CB . 51521 1 265 . 1 . 1 35 35 ASP N N 15 119.422 0.0 . 1 . . 286 . . 35 ASP N . 51521 1 266 . 1 . 1 36 36 HIS H H 1 8.335 0.025 . 1 . . 295 . . 36 HIS H . 51521 1 267 . 1 . 1 36 36 HIS HA H 1 5.064 0.003 . 1 . . 1526 . . 36 HIS HA . 51521 1 268 . 1 . 1 36 36 HIS HB2 H 1 3.073 0.008 . 1 . . 1527 . . 36 HIS HB2 . 51521 1 269 . 1 . 1 36 36 HIS C C 13 174.261 . . 1 . . 687 . . 36 HIS C . 51521 1 270 . 1 . 1 36 36 HIS CA C 13 55.892 0.001 . 1 . . 688 . . 36 HIS CA . 51521 1 271 . 1 . 1 36 36 HIS CB C 13 31.581 0.001 . 1 . . 689 . . 36 HIS CB . 51521 1 272 . 1 . 1 36 36 HIS N N 15 118.555 0.0 . 1 . . 296 . . 36 HIS N . 51521 1 273 . 1 . 1 37 37 PHE H H 1 9.086 0.029 . 1 . . 61 . . 37 PHE H . 51521 1 274 . 1 . 1 37 37 PHE HA H 1 5.334 0.005 . 1 . . 1529 . . 37 PHE HA . 51521 1 275 . 1 . 1 37 37 PHE HB2 H 1 2.681 0.021 . 1 . . 1530 . . 37 PHE HB2 . 51521 1 276 . 1 . 1 37 37 PHE C C 13 173.617 . . 1 . . 424 . . 37 PHE C . 51521 1 277 . 1 . 1 37 37 PHE CA C 13 56.801 0.054 . 1 . . 425 . . 37 PHE CA . 51521 1 278 . 1 . 1 37 37 PHE CB C 13 42.075 0.065 . 1 . . 426 . . 37 PHE CB . 51521 1 279 . 1 . 1 37 37 PHE N N 15 120.038 0.0 . 1 . . 62 . . 37 PHE N . 51521 1 280 . 1 . 1 38 38 LEU H H 1 9.204 0.042 . 1 . . 128 . . 38 LEU H . 51521 1 281 . 1 . 1 38 38 LEU HA H 1 5.262 0.006 . 1 . . 1531 . . 38 LEU HA . 51521 1 282 . 1 . 1 38 38 LEU C C 13 173.856 . . 1 . . 1491 . . 38 LEU C . 51521 1 283 . 1 . 1 38 38 LEU CA C 13 53.538 0.005 . 1 . . 496 . . 38 LEU CA . 51521 1 284 . 1 . 1 38 38 LEU N N 15 125.823 0.053 . 1 . . 129 . . 38 LEU N . 51521 1 285 . 1 . 1 39 39 ARG H H 1 9.277 0.026 . 1 . . 327 . . 39 ARG H . 51521 1 286 . 1 . 1 39 39 ARG HA H 1 5.246 0.003 . 1 . . 1533 . . 39 ARG HA . 51521 1 287 . 1 . 1 39 39 ARG HB2 H 1 1.735 0.013 . 1 . . 1532 . . 39 ARG HB2 . 51521 1 288 . 1 . 1 39 39 ARG C C 13 175.735 0.033 . 1 . . 721 . . 39 ARG C . 51521 1 289 . 1 . 1 39 39 ARG CA C 13 55.252 0.028 . 1 . . 722 . . 39 ARG CA . 51521 1 290 . 1 . 1 39 39 ARG CB C 13 30.828 0.068 . 1 . . 723 . . 39 ARG CB . 51521 1 291 . 1 . 1 39 39 ARG CG C 13 28.227 . . 1 . . 1597 . . 39 ARG CG . 51521 1 292 . 1 . 1 39 39 ARG N N 15 127.511 0.0 . 1 . . 328 . . 39 ARG N . 51521 1 293 . 1 . 1 40 40 ILE H H 1 9.101 0.029 . 1 . . 39 . . 40 ILE H . 51521 1 294 . 1 . 1 40 40 ILE HA H 1 4.636 0.008 . 1 . . 1452 . . 40 ILE HA . 51521 1 295 . 1 . 1 40 40 ILE HB H 1 1.894 0.006 . 1 . . 1453 . . 40 ILE HB . 51521 1 296 . 1 . 1 40 40 ILE HG12 H 1 0.790 0.001 . 1 . . 1600 . . 40 ILE HG12 . 51521 1 297 . 1 . 1 40 40 ILE HG21 H 1 0.800 0.009 . 1 . . 1599 . . 40 ILE HG21 . 51521 1 298 . 1 . 1 40 40 ILE HG22 H 1 0.800 0.009 . 1 . . 1599 . . 40 ILE HG22 . 51521 1 299 . 1 . 1 40 40 ILE HG23 H 1 0.800 0.009 . 1 . . 1599 . . 40 ILE HG23 . 51521 1 300 . 1 . 1 40 40 ILE C C 13 174.551 0.032 . 1 . . 401 . . 40 ILE C . 51521 1 301 . 1 . 1 40 40 ILE CA C 13 59.247 0.038 . 1 . . 403 . . 40 ILE CA . 51521 1 302 . 1 . 1 40 40 ILE CB C 13 39.697 0.064 . 1 . . 402 . . 40 ILE CB . 51521 1 303 . 1 . 1 40 40 ILE CG2 C 13 17.071 . . 1 . . 1106 . . 40 ILE CG2 . 51521 1 304 . 1 . 1 40 40 ILE N N 15 130.190 0.004 . 1 . . 40 . . 40 ILE N . 51521 1 305 . 1 . 1 41 41 SER H H 1 8.752 0.029 . 1 . . 223 . . 41 SER H . 51521 1 306 . 1 . 1 41 41 SER HA H 1 5.623 0.009 . 1 . . 1454 . . 41 SER HA . 51521 1 307 . 1 . 1 41 41 SER HB2 H 1 3.331 0.005 . 2 . . 1455 . . 41 SER HB2 . 51521 1 308 . 1 . 1 41 41 SER HB3 H 1 3.542 0.016 . 2 . . 1456 . . 41 SER HB3 . 51521 1 309 . 1 . 1 41 41 SER C C 13 174.159 . . 1 . . 595 . . 41 SER C . 51521 1 310 . 1 . 1 41 41 SER CA C 13 56.324 0.023 . 1 . . 596 . . 41 SER CA . 51521 1 311 . 1 . 1 41 41 SER CB C 13 64.562 0.022 . 1 . . 597 . . 41 SER CB . 51521 1 312 . 1 . 1 41 41 SER N N 15 124.101 0.007 . 1 . . 224 . . 41 SER N . 51521 1 313 . 1 . 1 42 42 ILE H H 1 8.451 0.022 . 1 . . 29 . . 42 ILE H . 51521 1 314 . 1 . 1 42 42 ILE HA H 1 5.381 0.01 . 1 . . 1457 . . 42 ILE HA . 51521 1 315 . 1 . 1 42 42 ILE HB H 1 1.554 0.011 . 1 . . 1458 . . 42 ILE HB . 51521 1 316 . 1 . 1 42 42 ILE C C 13 172.386 . . 1 . . 386 . . 42 ILE C . 51521 1 317 . 1 . 1 42 42 ILE CA C 13 58.712 0.05 . 1 . . 387 . . 42 ILE CA . 51521 1 318 . 1 . 1 42 42 ILE CB C 13 43.412 0.049 . 1 . . 388 . . 42 ILE CB . 51521 1 319 . 1 . 1 42 42 ILE CG1 C 13 18.431 . . 1 . . 1107 . . 42 ILE CG1 . 51521 1 320 . 1 . 1 42 42 ILE CG2 C 13 18.415 0.174 . 1 . . 1598 . . 42 ILE CG2 . 51521 1 321 . 1 . 1 42 42 ILE N N 15 119.872 0.02 . 1 . . 30 . . 42 ILE N . 51521 1 322 . 1 . 1 43 43 ASP H H 1 8.388 0.03 . 1 . . 198 . . 43 ASP H . 51521 1 323 . 1 . 1 43 43 ASP HA H 1 4.928 0.005 . 1 . . 1459 . . 43 ASP HA . 51521 1 324 . 1 . 1 43 43 ASP HB2 H 1 2.425 0.01 . 2 . . 1460 . . 43 ASP HB2 . 51521 1 325 . 1 . 1 43 43 ASP HB3 H 1 2.189 0.008 . 2 . . 1461 . . 43 ASP HB3 . 51521 1 326 . 1 . 1 43 43 ASP C C 13 173.837 . . 1 . . 573 . . 43 ASP C . 51521 1 327 . 1 . 1 43 43 ASP CA C 13 52.168 0.018 . 1 . . 571 . . 43 ASP CA . 51521 1 328 . 1 . 1 43 43 ASP CB C 13 45.488 0.001 . 1 . . 572 . . 43 ASP CB . 51521 1 329 . 1 . 1 43 43 ASP N N 15 116.311 0.001 . 1 . . 199 . . 43 ASP N . 51521 1 330 . 1 . 1 44 44 LYS H H 1 8.464 0.024 . 1 . . 194 . . 44 LYS H . 51521 1 331 . 1 . 1 44 44 LYS HA H 1 4.596 . . 1 . . 1462 . . 44 LYS HA . 51521 1 332 . 1 . 1 44 44 LYS HB2 H 1 1.840 0.023 . 1 . . 1463 . . 44 LYS HB2 . 51521 1 333 . 1 . 1 44 44 LYS C C 13 175.550 . . 1 . . 565 . . 44 LYS C . 51521 1 334 . 1 . 1 44 44 LYS CA C 13 55.656 0.021 . 1 . . 566 . . 44 LYS CA . 51521 1 335 . 1 . 1 44 44 LYS CB C 13 35.648 0.048 . 1 . . 567 . . 44 LYS CB . 51521 1 336 . 1 . 1 44 44 LYS N N 15 116.771 0.001 . 1 . . 195 . . 44 LYS N . 51521 1 337 . 1 . 1 47 47 GLY H H 1 8.211 0.026 . 1 . . 346 . . 47 GLY H . 51521 1 338 . 1 . 1 47 47 GLY HA2 H 1 4.037 0.011 . 2 . . 1464 . . 47 GLY HA2 . 51521 1 339 . 1 . 1 47 47 GLY HA3 H 1 4.311 0.003 . 2 . . 1654 . . 47 GLY HA3 . 51521 1 340 . 1 . 1 47 47 GLY C C 13 173.567 . . 1 . . 740 . . 47 GLY C . 51521 1 341 . 1 . 1 47 47 GLY CA C 13 44.239 0.011 . 1 . . 739 . . 47 GLY CA . 51521 1 342 . 1 . 1 47 47 GLY N N 15 111.525 0.076 . 1 . . 347 . . 47 GLY N . 51521 1 343 . 1 . 1 48 48 VAL H H 1 8.220 0.038 . 1 . . 77 . . 48 VAL H . 51521 1 344 . 1 . 1 48 48 VAL HA H 1 4.461 0.005 . 1 . . 1466 . . 48 VAL HA . 51521 1 345 . 1 . 1 48 48 VAL HB H 1 1.973 0.011 . 1 . . 1465 . . 48 VAL HB . 51521 1 346 . 1 . 1 48 48 VAL HG11 H 1 0.639 0.002 . 2 . . 1601 . . 48 VAL HG11 . 51521 1 347 . 1 . 1 48 48 VAL HG12 H 1 0.639 0.002 . 2 . . 1601 . . 48 VAL HG12 . 51521 1 348 . 1 . 1 48 48 VAL HG13 H 1 0.639 0.002 . 2 . . 1601 . . 48 VAL HG13 . 51521 1 349 . 1 . 1 48 48 VAL HG21 H 1 0.689 0.014 . 2 . . 1602 . . 48 VAL HG21 . 51521 1 350 . 1 . 1 48 48 VAL HG22 H 1 0.689 0.014 . 2 . . 1602 . . 48 VAL HG22 . 51521 1 351 . 1 . 1 48 48 VAL HG23 H 1 0.689 0.014 . 2 . . 1602 . . 48 VAL HG23 . 51521 1 352 . 1 . 1 48 48 VAL C C 13 176.181 . . 1 . . 439 . . 48 VAL C . 51521 1 353 . 1 . 1 48 48 VAL CA C 13 60.447 0.104 . 1 . . 440 . . 48 VAL CA . 51521 1 354 . 1 . 1 48 48 VAL CB C 13 33.878 0.012 . 1 . . 441 . . 48 VAL CB . 51521 1 355 . 1 . 1 48 48 VAL CG1 C 13 21.432 0.059 . 2 . . 1103 . . 48 VAL CG1 . 51521 1 356 . 1 . 1 48 48 VAL CG2 C 13 19.673 0.037 . 2 . . 1101 . . 48 VAL CG2 . 51521 1 357 . 1 . 1 48 48 VAL N N 15 117.521 0.018 . 1 . . 78 . . 48 VAL N . 51521 1 358 . 1 . 1 49 49 ASP H H 1 9.140 0.021 . 1 . . 51 . . 49 ASP H . 51521 1 359 . 1 . 1 49 49 ASP HA H 1 4.894 0.012 . 1 . . 1467 . . 49 ASP HA . 51521 1 360 . 1 . 1 49 49 ASP HB2 H 1 3.116 0.008 . 2 . . 1468 . . 49 ASP HB2 . 51521 1 361 . 1 . 1 49 49 ASP HB3 H 1 2.592 0.009 . 2 . . 1469 . . 49 ASP HB3 . 51521 1 362 . 1 . 1 49 49 ASP C C 13 177.117 . . 1 . . 413 . . 49 ASP C . 51521 1 363 . 1 . 1 49 49 ASP CA C 13 51.493 0.006 . 1 . . 414 . . 49 ASP CA . 51521 1 364 . 1 . 1 49 49 ASP CB C 13 42.748 0.037 . 1 . . 415 . . 49 ASP CB . 51521 1 365 . 1 . 1 49 49 ASP N N 15 126.350 0.0 . 1 . . 52 . . 49 ASP N . 51521 1 366 . 1 . 1 50 50 LEU H H 1 8.128 0.033 . 1 . . 87 . . 50 LEU H . 51521 1 367 . 1 . 1 50 50 LEU HA H 1 4.055 0.012 . 1 . . 1470 . . 50 LEU HA . 51521 1 368 . 1 . 1 50 50 LEU HB2 H 1 1.578 0.02 . 2 . . 1730 . . 50 LEU HB2 . 51521 1 369 . 1 . 1 50 50 LEU HB3 H 1 1.642 0.008 . 2 . . 1731 . . 50 LEU HB3 . 51521 1 370 . 1 . 1 50 50 LEU C C 13 180.021 . . 1 . . 451 . . 50 LEU C . 51521 1 371 . 1 . 1 50 50 LEU CA C 13 58.518 0.027 . 1 . . 455 . . 50 LEU CA . 51521 1 372 . 1 . 1 50 50 LEU CB C 13 41.603 0.006 . 1 . . 1732 . . 50 LEU CB . 51521 1 373 . 1 . 1 50 50 LEU N N 15 119.400 0.025 . 1 . . 88 . . 50 LEU N . 51521 1 374 . 1 . 1 51 51 ASN H H 1 8.090 0.02 . 1 . . 271 . . 51 ASN H . 51521 1 375 . 1 . 1 51 51 ASN HA H 1 4.387 0.024 . 1 . . 1472 . . 51 ASN HA . 51521 1 376 . 1 . 1 51 51 ASN HB2 H 1 2.808 0.012 . 2 . . 1471 . . 51 ASN HB2 . 51521 1 377 . 1 . 1 51 51 ASN HB3 H 1 2.956 0.008 . 2 . . 1566 . . 51 ASN HB3 . 51521 1 378 . 1 . 1 51 51 ASN C C 13 180.427 . . 1 . . 662 . . 51 ASN C . 51521 1 379 . 1 . 1 51 51 ASN CA C 13 56.464 0.058 . 1 . . 656 . . 51 ASN CA . 51521 1 380 . 1 . 1 51 51 ASN CB C 13 37.751 0.027 . 1 . . 657 . . 51 ASN CB . 51521 1 381 . 1 . 1 51 51 ASN N N 15 119.941 0.0 . 1 . . 272 . . 51 ASN N . 51521 1 382 . 1 . 1 52 52 ASP H H 1 8.353 0.028 . 1 . . 85 . . 52 ASP H . 51521 1 383 . 1 . 1 52 52 ASP HA H 1 4.454 0.009 . 1 . . 1475 . . 52 ASP HA . 51521 1 384 . 1 . 1 52 52 ASP HB2 H 1 2.957 0.01 . 2 . . 1473 . . 52 ASP HB2 . 51521 1 385 . 1 . 1 52 52 ASP HB3 H 1 2.295 0.002 . 2 . . 1474 . . 52 ASP HB3 . 51521 1 386 . 1 . 1 52 52 ASP C C 13 177.912 . . 1 . . 450 . . 52 ASP C . 51521 1 387 . 1 . 1 52 52 ASP CA C 13 57.997 0.027 . 1 . . 448 . . 52 ASP CA . 51521 1 388 . 1 . 1 52 52 ASP CB C 13 41.171 0.028 . 1 . . 449 . . 52 ASP CB . 51521 1 389 . 1 . 1 52 52 ASP N N 15 123.247 0.019 . 1 . . 86 . . 52 ASP N . 51521 1 390 . 1 . 1 53 53 CYS H H 1 7.680 0.033 . 1 . . 204 . . 53 CYS H . 51521 1 391 . 1 . 1 53 53 CYS HA H 1 3.795 0.008 . 1 . . 1479 . . 53 CYS HA . 51521 1 392 . 1 . 1 53 53 CYS HB2 H 1 2.693 0.011 . 2 . . 1477 . . 53 CYS HB2 . 51521 1 393 . 1 . 1 53 53 CYS HB3 H 1 3.069 0.01 . 2 . . 1478 . . 53 CYS HB3 . 51521 1 394 . 1 . 1 53 53 CYS C C 13 177.192 . . 1 . . 577 . . 53 CYS C . 51521 1 395 . 1 . 1 53 53 CYS CA C 13 63.843 0.016 . 1 . . 578 . . 53 CYS CA . 51521 1 396 . 1 . 1 53 53 CYS CB C 13 26.682 0.031 . 1 . . 579 . . 53 CYS CB . 51521 1 397 . 1 . 1 53 53 CYS N N 15 116.782 0.079 . 1 . . 205 . . 53 CYS N . 51521 1 398 . 1 . 1 54 54 THR H H 1 8.349 0.034 . 1 . . 33 . . 54 THR H . 51521 1 399 . 1 . 1 54 54 THR HA H 1 3.918 0.017 . 1 . . 1480 . . 54 THR HA . 51521 1 400 . 1 . 1 54 54 THR HB H 1 4.284 0.005 . 1 . . 1481 . . 54 THR HB . 51521 1 401 . 1 . 1 54 54 THR C C 13 176.005 . . 1 . . 392 . . 54 THR C . 51521 1 402 . 1 . 1 54 54 THR CA C 13 66.826 0.059 . 1 . . 393 . . 54 THR CA . 51521 1 403 . 1 . 1 54 54 THR CB C 13 68.779 0.076 . 1 . . 394 . . 54 THR CB . 51521 1 404 . 1 . 1 54 54 THR CG2 C 13 21.549 0.06 . 1 . . 1100 . . 54 THR CG2 . 51521 1 405 . 1 . 1 54 54 THR N N 15 119.483 0.069 . 1 . . 34 . . 54 THR N . 51521 1 406 . 1 . 1 55 55 LEU H H 1 7.981 0.028 . 1 . . 231 . . 55 LEU H . 51521 1 407 . 1 . 1 55 55 LEU HA H 1 4.222 0.014 . 1 . . 1482 . . 55 LEU HA . 51521 1 408 . 1 . 1 55 55 LEU HB2 H 1 2.022 0.004 . 2 . . 1483 . . 55 LEU HB2 . 51521 1 409 . 1 . 1 55 55 LEU HB3 H 1 1.750 0.005 . 2 . . 1484 . . 55 LEU HB3 . 51521 1 410 . 1 . 1 55 55 LEU C C 13 178.809 . . 1 . . 610 . . 55 LEU C . 51521 1 411 . 1 . 1 55 55 LEU CA C 13 58.313 0.009 . 1 . . 608 . . 55 LEU CA . 51521 1 412 . 1 . 1 55 55 LEU CB C 13 41.813 0.004 . 1 . . 609 . . 55 LEU CB . 51521 1 413 . 1 . 1 55 55 LEU CG C 13 26.447 . . 1 . . 1099 . . 55 LEU CG . 51521 1 414 . 1 . 1 55 55 LEU N N 15 125.457 0.003 . 1 . . 232 . . 55 LEU N . 51521 1 415 . 1 . 1 56 56 ALA H H 1 8.451 0.026 . 1 . . 27 . . 56 ALA H . 51521 1 416 . 1 . 1 56 56 ALA HA H 1 3.811 0.008 . 1 . . 1486 . . 56 ALA HA . 51521 1 417 . 1 . 1 56 56 ALA HB1 H 1 1.434 0.006 . 1 . . 1485 . . 56 ALA HB1 . 51521 1 418 . 1 . 1 56 56 ALA HB2 H 1 1.434 0.006 . 1 . . 1485 . . 56 ALA HB2 . 51521 1 419 . 1 . 1 56 56 ALA HB3 H 1 1.434 0.006 . 1 . . 1485 . . 56 ALA HB3 . 51521 1 420 . 1 . 1 56 56 ALA C C 13 179.201 . . 1 . . 385 . . 56 ALA C . 51521 1 421 . 1 . 1 56 56 ALA CA C 13 55.607 0.059 . 1 . . 383 . . 56 ALA CA . 51521 1 422 . 1 . 1 56 56 ALA CB C 13 18.751 0.038 . 1 . . 384 . . 56 ALA CB . 51521 1 423 . 1 . 1 56 56 ALA N N 15 119.174 0.037 . 1 . . 28 . . 56 ALA N . 51521 1 424 . 1 . 1 57 57 SER H H 1 8.378 0.032 . 1 . . 277 . . 57 SER H . 51521 1 425 . 1 . 1 57 57 SER HA H 1 4.024 0.016 . 1 . . 1559 . . 57 SER HA . 51521 1 426 . 1 . 1 57 57 SER HB2 H 1 3.784 0.003 . 1 . . 1722 . . 57 SER HB2 . 51521 1 427 . 1 . 1 57 57 SER C C 13 176.630 . . 1 . . 667 . . 57 SER C . 51521 1 428 . 1 . 1 57 57 SER CA C 13 62.330 0.012 . 1 . . 666 . . 57 SER CA . 51521 1 429 . 1 . 1 57 57 SER CB C 13 63.561 0.007 . 1 . . 1140 . . 57 SER CB . 51521 1 430 . 1 . 1 57 57 SER N N 15 112.879 0.0 . 1 . . 278 . . 57 SER N . 51521 1 431 . 1 . 1 58 58 GLU H H 1 8.138 0.03 . 1 . . 177 . . 58 GLU H . 51521 1 432 . 1 . 1 58 58 GLU HA H 1 4.000 0.005 . 1 . . 1562 . . 58 GLU HA . 51521 1 433 . 1 . 1 58 58 GLU HB2 H 1 2.277 0.006 . 2 . . 1563 . . 58 GLU HB2 . 51521 1 434 . 1 . 1 58 58 GLU HB3 H 1 2.116 0.016 . 2 . . 1565 . . 58 GLU HB3 . 51521 1 435 . 1 . 1 58 58 GLU HG2 H 1 2.447 0.013 . 1 . . 1603 . . 58 GLU HG2 . 51521 1 436 . 1 . 1 58 58 GLU C C 13 179.589 . . 1 . . 1487 . . 58 GLU C . 51521 1 437 . 1 . 1 58 58 GLU CA C 13 59.797 0.027 . 1 . . 541 . . 58 GLU CA . 51521 1 438 . 1 . 1 58 58 GLU CB C 13 29.599 0.01 . 1 . . 542 . . 58 GLU CB . 51521 1 439 . 1 . 1 58 58 GLU CG C 13 36.218 0.021 . 1 . . 1097 . . 58 GLU CG . 51521 1 440 . 1 . 1 58 58 GLU N N 15 123.091 0.016 . 1 . . 178 . . 58 GLU N . 51521 1 441 . 1 . 1 59 59 LYS H H 1 7.959 0.033 . 1 . . 370 . . 59 LYS H . 51521 1 442 . 1 . 1 59 59 LYS HA H 1 4.119 0.006 . 1 . . 1723 . . 59 LYS HA . 51521 1 443 . 1 . 1 59 59 LYS HB2 H 1 1.754 0.013 . 1 . . 1560 . . 59 LYS HB2 . 51521 1 444 . 1 . 1 59 59 LYS C C 13 180.521 0.053 . 1 . . 372 . . 59 LYS C . 51521 1 445 . 1 . 1 59 59 LYS CA C 13 57.676 0.042 . 1 . . 373 . . 59 LYS CA . 51521 1 446 . 1 . 1 59 59 LYS CB C 13 31.929 0.025 . 1 . . 1096 . . 59 LYS CB . 51521 1 447 . 1 . 1 59 59 LYS CG C 13 24.448 . . 1 . . 1095 . . 59 LYS CG . 51521 1 448 . 1 . 1 59 59 LYS N N 15 118.009 0.032 . 1 . . 371 . . 59 LYS N . 51521 1 449 . 1 . 1 60 60 ILE H H 1 8.914 0.035 . 1 . . 331 . . 60 ILE H . 51521 1 450 . 1 . 1 60 60 ILE HA H 1 3.519 0.007 . 1 . . 1386 . . 60 ILE HA . 51521 1 451 . 1 . 1 60 60 ILE HB H 1 1.844 0.01 . 1 . . 1387 . . 60 ILE HB . 51521 1 452 . 1 . 1 60 60 ILE HG12 H 1 0.796 0.017 . 1 . . 1604 . . 60 ILE HG12 . 51521 1 453 . 1 . 1 60 60 ILE C C 13 177.346 0.017 . 1 . . 935 . . 60 ILE C . 51521 1 454 . 1 . 1 60 60 ILE CA C 13 66.205 0.016 . 1 . . 726 . . 60 ILE CA . 51521 1 455 . 1 . 1 60 60 ILE CB C 13 38.500 0.113 . 1 . . 727 . . 60 ILE CB . 51521 1 456 . 1 . 1 60 60 ILE CG2 C 13 18.060 0.048 . 1 . . 1094 . . 60 ILE CG2 . 51521 1 457 . 1 . 1 60 60 ILE N N 15 121.677 0.081 . 1 . . 332 . . 60 ILE N . 51521 1 458 . 1 . 1 61 61 SER H H 1 8.570 0.031 . 1 . . 235 . . 61 SER H . 51521 1 459 . 1 . 1 61 61 SER HA H 1 3.976 0.004 . 1 . . 1488 . . 61 SER HA . 51521 1 460 . 1 . 1 61 61 SER C C 13 176.708 0.018 . 1 . . 616 . . 61 SER C . 51521 1 461 . 1 . 1 61 61 SER CA C 13 62.560 0.007 . 1 . . 615 . . 61 SER CA . 51521 1 462 . 1 . 1 61 61 SER N N 15 116.674 0.063 . 1 . . 236 . . 61 SER N . 51521 1 463 . 1 . 1 62 62 GLU H H 1 7.490 0.028 . 1 . . 45 . . 62 GLU H . 51521 1 464 . 1 . 1 62 62 GLU HA H 1 4.051 0.004 . 1 . . 1384 . . 62 GLU HA . 51521 1 465 . 1 . 1 62 62 GLU HB2 H 1 2.043 0.014 . 2 . . 1385 . . 62 GLU HB2 . 51521 1 466 . 1 . 1 62 62 GLU HB3 H 1 2.118 0.002 . 2 . . 1558 . . 62 GLU HB3 . 51521 1 467 . 1 . 1 62 62 GLU C C 13 178.651 0.0 . 1 . . 404 . . 62 GLU C . 51521 1 468 . 1 . 1 62 62 GLU CA C 13 59.258 0.01 . 1 . . 406 . . 62 GLU CA . 51521 1 469 . 1 . 1 62 62 GLU CB C 13 30.018 0.033 . 1 . . 405 . . 62 GLU CB . 51521 1 470 . 1 . 1 62 62 GLU CG C 13 36.277 . . 1 . . 1141 . . 62 GLU CG . 51521 1 471 . 1 . 1 62 62 GLU N N 15 120.623 0.012 . 1 . . 46 . . 62 GLU N . 51521 1 472 . 1 . 1 63 63 ALA H H 1 7.400 0.032 . 1 . . 218 . . 63 ALA H . 51521 1 473 . 1 . 1 63 63 ALA HA H 1 4.222 0.014 . 1 . . 1382 . . 63 ALA HA . 51521 1 474 . 1 . 1 63 63 ALA HB1 H 1 1.390 0.01 . 1 . . 1383 . . 63 ALA HB1 . 51521 1 475 . 1 . 1 63 63 ALA HB2 H 1 1.390 0.01 . 1 . . 1383 . . 63 ALA HB2 . 51521 1 476 . 1 . 1 63 63 ALA HB3 H 1 1.390 0.01 . 1 . . 1383 . . 63 ALA HB3 . 51521 1 477 . 1 . 1 63 63 ALA C C 13 180.817 0.005 . 1 . . 594 . . 63 ALA C . 51521 1 478 . 1 . 1 63 63 ALA CA C 13 54.587 0.031 . 1 . . 592 . . 63 ALA CA . 51521 1 479 . 1 . 1 63 63 ALA CB C 13 19.288 0.055 . 1 . . 593 . . 63 ALA CB . 51521 1 480 . 1 . 1 63 63 ALA N N 15 122.477 0.016 . 1 . . 219 . . 63 ALA N . 51521 1 481 . 1 . 1 64 64 MET H H 1 8.629 0.032 . 1 . . 151 . . 64 MET H . 51521 1 482 . 1 . 1 64 64 MET HA H 1 4.233 0.01 . 1 . . 1381 . . 64 MET HA . 51521 1 483 . 1 . 1 64 64 MET HB2 H 1 2.145 0.005 . 1 . . 1380 . . 64 MET HB2 . 51521 1 484 . 1 . 1 64 64 MET C C 13 178.198 0.012 . 1 . . 512 . . 64 MET C . 51521 1 485 . 1 . 1 64 64 MET CA C 13 56.888 0.092 . 1 . . 513 . . 64 MET CA . 51521 1 486 . 1 . 1 64 64 MET CB C 13 31.591 0.188 . 1 . . 514 . . 64 MET CB . 51521 1 487 . 1 . 1 64 64 MET CG C 13 33.124 . . 1 . . 1605 . . 64 MET CG . 51521 1 488 . 1 . 1 64 64 MET N N 15 118.878 0.001 . 1 . . 152 . . 64 MET N . 51521 1 489 . 1 . 1 65 65 ASP H H 1 7.871 0.033 . 1 . . 157 . . 65 ASP H . 51521 1 490 . 1 . 1 65 65 ASP HA H 1 4.372 0.009 . 1 . . 1379 . . 65 ASP HA . 51521 1 491 . 1 . 1 65 65 ASP HB2 H 1 2.753 0.017 . 2 . . 1377 . . 65 ASP HB2 . 51521 1 492 . 1 . 1 65 65 ASP HB3 H 1 2.575 0.027 . 2 . . 1378 . . 65 ASP HB3 . 51521 1 493 . 1 . 1 65 65 ASP C C 13 177.709 0.015 . 1 . . 523 . . 65 ASP C . 51521 1 494 . 1 . 1 65 65 ASP CA C 13 56.860 0.033 . 1 . . 936 . . 65 ASP CA . 51521 1 495 . 1 . 1 65 65 ASP CB C 13 41.037 0.052 . 1 . . 521 . . 65 ASP CB . 51521 1 496 . 1 . 1 65 65 ASP N N 15 119.782 0.008 . 1 . . 158 . . 65 ASP N . 51521 1 497 . 1 . 1 66 66 ALA H H 1 7.399 0.027 . 1 . . 173 . . 66 ALA H . 51521 1 498 . 1 . 1 66 66 ALA HA H 1 4.179 0.007 . 1 . . 1375 . . 66 ALA HA . 51521 1 499 . 1 . 1 66 66 ALA HB1 H 1 1.402 0.009 . 1 . . 1376 . . 66 ALA HB1 . 51521 1 500 . 1 . 1 66 66 ALA HB2 H 1 1.402 0.009 . 1 . . 1376 . . 66 ALA HB2 . 51521 1 501 . 1 . 1 66 66 ALA HB3 H 1 1.402 0.009 . 1 . . 1376 . . 66 ALA HB3 . 51521 1 502 . 1 . 1 66 66 ALA C C 13 178.193 0.006 . 1 . . 937 . . 66 ALA C . 51521 1 503 . 1 . 1 66 66 ALA CA C 13 53.670 0.019 . 1 . . 530 . . 66 ALA CA . 51521 1 504 . 1 . 1 66 66 ALA CB C 13 18.927 0.03 . 1 . . 531 . . 66 ALA CB . 51521 1 505 . 1 . 1 66 66 ALA N N 15 119.769 0.008 . 1 . . 174 . . 66 ALA N . 51521 1 506 . 1 . 1 67 67 ASN H H 1 7.478 0.037 . 1 . . 261 . . 67 ASN H . 51521 1 507 . 1 . 1 67 67 ASN HA H 1 4.570 0.006 . 1 . . 1373 . . 67 ASN HA . 51521 1 508 . 1 . 1 67 67 ASN HB2 H 1 2.563 0.011 . 2 . . 1374 . . 67 ASN HB2 . 51521 1 509 . 1 . 1 67 67 ASN HB3 H 1 2.630 0.009 . 2 . . 1556 . . 67 ASN HB3 . 51521 1 510 . 1 . 1 67 67 ASN C C 13 173.091 0.02 . 1 . . 649 . . 67 ASN C . 51521 1 511 . 1 . 1 67 67 ASN CA C 13 53.779 0.028 . 1 . . 938 . . 67 ASN CA . 51521 1 512 . 1 . 1 67 67 ASN CB C 13 40.331 0.003 . 1 . . 650 . . 67 ASN CB . 51521 1 513 . 1 . 1 67 67 ASN N N 15 115.789 0.007 . 1 . . 262 . . 67 ASN N . 51521 1 514 . 1 . 1 68 68 ASP H H 1 8.270 0.028 . 1 . . 181 . . 68 ASP H . 51521 1 515 . 1 . 1 68 68 ASP HB2 H 1 2.815 0.021 . 1 . . 1554 . . 68 ASP HB2 . 51521 1 516 . 1 . 1 68 68 ASP C C 13 174.968 . . 1 . . 556 . . 68 ASP C . 51521 1 517 . 1 . 1 68 68 ASP CA C 13 53.060 . . 1 . . 554 . . 68 ASP CA . 51521 1 518 . 1 . 1 68 68 ASP CB C 13 41.744 0.026 . 1 . . 555 . . 68 ASP CB . 51521 1 519 . 1 . 1 68 68 ASP N N 15 122.957 0.033 . 1 . . 182 . . 68 ASP N . 51521 1 520 . 1 . 1 71 71 PRO CA C 13 63.896 0.0 . 1 . . 840 . . 71 PRO CA . 51521 1 521 . 1 . 1 71 71 PRO CB C 13 31.273 . . 1 . . 1502 . . 71 PRO CB . 51521 1 522 . 1 . 1 71 71 PRO CG C 13 26.888 . . 1 . . 1501 . . 71 PRO CG . 51521 1 523 . 1 . 1 72 72 GLU H H 1 7.148 0.028 . 1 . . 167 . . 72 GLU H . 51521 1 524 . 1 . 1 72 72 GLU HA H 1 4.396 0.005 . 1 . . 1518 . . 72 GLU HA . 51521 1 525 . 1 . 1 72 72 GLU HB2 H 1 1.901 0.015 . 2 . . 1516 . . 72 GLU HB2 . 51521 1 526 . 1 . 1 72 72 GLU HB3 H 1 1.707 0.007 . 2 . . 1517 . . 72 GLU HB3 . 51521 1 527 . 1 . 1 72 72 GLU CA C 13 54.911 . . 1 . . 527 . . 72 GLU CA . 51521 1 528 . 1 . 1 72 72 GLU CB C 13 30.825 0.01 . 1 . . 1553 . . 72 GLU CB . 51521 1 529 . 1 . 1 72 72 GLU CG C 13 34.935 . . 1 . . 1606 . . 72 GLU CG . 51521 1 530 . 1 . 1 72 72 GLU N N 15 118.327 0.002 . 1 . . 168 . . 72 GLU N . 51521 1 531 . 1 . 1 73 73 MET H H 1 8.161 0.034 . 1 . . 79 . . 73 MET H . 51521 1 532 . 1 . 1 73 73 MET HA H 1 4.193 0.004 . 1 . . 1552 . . 73 MET HA . 51521 1 533 . 1 . 1 73 73 MET HB2 H 1 1.854 0.003 . 2 . . 1519 . . 73 MET HB2 . 51521 1 534 . 1 . 1 73 73 MET HB3 H 1 2.362 0.009 . 2 . . 1520 . . 73 MET HB3 . 51521 1 535 . 1 . 1 73 73 MET C C 13 175.118 . . 1 . . 444 . . 73 MET C . 51521 1 536 . 1 . 1 73 73 MET CA C 13 56.384 0.022 . 1 . . 443 . . 73 MET CA . 51521 1 537 . 1 . 1 73 73 MET CB C 13 32.212 0.04 . 1 . . 442 . . 73 MET CB . 51521 1 538 . 1 . 1 73 73 MET N N 15 119.993 0.002 . 1 . . 80 . . 73 MET N . 51521 1 539 . 1 . 1 74 74 TYR H H 1 7.461 0.032 . 1 . . 321 . . 74 TYR H . 51521 1 540 . 1 . 1 74 74 TYR HA H 1 4.896 0.006 . 1 . . 1512 . . 74 TYR HA . 51521 1 541 . 1 . 1 74 74 TYR HB2 H 1 3.044 0.01 . 2 . . 1513 . . 74 TYR HB2 . 51521 1 542 . 1 . 1 74 74 TYR HB3 H 1 2.460 0.003 . 2 . . 1514 . . 74 TYR HB3 . 51521 1 543 . 1 . 1 74 74 TYR C C 13 173.156 . . 1 . . 715 . . 74 TYR C . 51521 1 544 . 1 . 1 74 74 TYR CA C 13 55.609 0.027 . 1 . . 716 . . 74 TYR CA . 51521 1 545 . 1 . 1 74 74 TYR CB C 13 41.281 0.004 . 1 . . 717 . . 74 TYR CB . 51521 1 546 . 1 . 1 74 74 TYR N N 15 120.671 0.001 . 1 . . 322 . . 74 TYR N . 51521 1 547 . 1 . 1 75 75 TYR H H 1 8.327 0.028 . 1 . . 144 . . 75 TYR H . 51521 1 548 . 1 . 1 75 75 TYR HA H 1 4.512 0.011 . 1 . . 1515 . . 75 TYR HA . 51521 1 549 . 1 . 1 75 75 TYR HB2 H 1 2.897 0.01 . 2 . . 1658 . . 75 TYR HB2 . 51521 1 550 . 1 . 1 75 75 TYR HB3 H 1 2.448 0.015 . 2 . . 1659 . . 75 TYR HB3 . 51521 1 551 . 1 . 1 75 75 TYR C C 13 174.659 . . 1 . . 508 . . 75 TYR C . 51521 1 552 . 1 . 1 75 75 TYR CA C 13 56.627 0.016 . 1 . . 507 . . 75 TYR CA . 51521 1 553 . 1 . 1 75 75 TYR CB C 13 40.121 0.01 . 1 . . 1500 . . 75 TYR CB . 51521 1 554 . 1 . 1 75 75 TYR N N 15 119.818 0.002 . 1 . . 145 . . 75 TYR N . 51521 1 555 . 1 . 1 76 76 LEU H H 1 8.674 0.034 . 1 . . 1496 . . 76 LEU H . 51521 1 556 . 1 . 1 76 76 LEU HA H 1 5.144 0.005 . 1 . . 1657 . . 76 LEU HA . 51521 1 557 . 1 . 1 76 76 LEU HB2 H 1 1.913 0.004 . 2 . . 1655 . . 76 LEU HB2 . 51521 1 558 . 1 . 1 76 76 LEU HB3 H 1 1.501 0.003 . 2 . . 1656 . . 76 LEU HB3 . 51521 1 559 . 1 . 1 76 76 LEU CA C 13 54.618 0.008 . 1 . . 1498 . . 76 LEU CA . 51521 1 560 . 1 . 1 76 76 LEU CB C 13 43.893 0.003 . 1 . . 1499 . . 76 LEU CB . 51521 1 561 . 1 . 1 76 76 LEU CG C 13 26.924 . . 1 . . 1503 . . 76 LEU CG . 51521 1 562 . 1 . 1 76 76 LEU N N 15 127.251 0.034 . 1 . . 1497 . . 76 LEU N . 51521 1 563 . 1 . 1 77 77 ASP H H 1 9.175 0.033 . 1 . . 53 . . 77 ASP H . 51521 1 564 . 1 . 1 77 77 ASP HA H 1 5.011 0.004 . 1 . . 1509 . . 77 ASP HA . 51521 1 565 . 1 . 1 77 77 ASP HB2 H 1 2.675 0.005 . 2 . . 1510 . . 77 ASP HB2 . 51521 1 566 . 1 . 1 77 77 ASP HB3 H 1 2.493 0.006 . 2 . . 1511 . . 77 ASP HB3 . 51521 1 567 . 1 . 1 77 77 ASP C C 13 173.933 . . 1 . . 418 . . 77 ASP C . 51521 1 568 . 1 . 1 77 77 ASP CA C 13 53.546 0.011 . 1 . . 417 . . 77 ASP CA . 51521 1 569 . 1 . 1 77 77 ASP CB C 13 44.723 0.006 . 1 . . 416 . . 77 ASP CB . 51521 1 570 . 1 . 1 77 77 ASP N N 15 129.738 0.001 . 1 . . 54 . . 77 ASP N . 51521 1 571 . 1 . 1 78 78 VAL H H 1 8.186 0.022 . 1 . . 183 . . 78 VAL H . 51521 1 572 . 1 . 1 78 78 VAL HA H 1 5.018 0.003 . 1 . . 1490 . . 78 VAL HA . 51521 1 573 . 1 . 1 78 78 VAL HB H 1 1.922 0.008 . 1 . . 1489 . . 78 VAL HB . 51521 1 574 . 1 . 1 78 78 VAL HG11 H 1 0.799 0.004 . 1 . . 1607 . . 78 VAL HG11 . 51521 1 575 . 1 . 1 78 78 VAL HG12 H 1 0.799 0.004 . 1 . . 1607 . . 78 VAL HG12 . 51521 1 576 . 1 . 1 78 78 VAL HG13 H 1 0.799 0.004 . 1 . . 1607 . . 78 VAL HG13 . 51521 1 577 . 1 . 1 78 78 VAL C C 13 174.175 . . 1 . . 557 . . 78 VAL C . 51521 1 578 . 1 . 1 78 78 VAL CA C 13 61.277 0.025 . 1 . . 932 . . 78 VAL CA . 51521 1 579 . 1 . 1 78 78 VAL CB C 13 32.659 0.06 . 1 . . 973 . . 78 VAL CB . 51521 1 580 . 1 . 1 78 78 VAL CG1 C 13 21.748 0.057 . 1 . . 1093 . . 78 VAL CG1 . 51521 1 581 . 1 . 1 78 78 VAL N N 15 126.756 0.071 . 1 . . 184 . . 78 VAL N . 51521 1 582 . 1 . 1 79 79 ALA H H 1 8.594 0.031 . 1 . . 3 . . 79 ALA H . 51521 1 583 . 1 . 1 79 79 ALA HA H 1 4.810 0.007 . 1 . . 1371 . . 79 ALA HA . 51521 1 584 . 1 . 1 79 79 ALA HB1 H 1 1.307 0.008 . 1 . . 1372 . . 79 ALA HB1 . 51521 1 585 . 1 . 1 79 79 ALA HB2 H 1 1.307 0.008 . 1 . . 1372 . . 79 ALA HB2 . 51521 1 586 . 1 . 1 79 79 ALA HB3 H 1 1.307 0.008 . 1 . . 1372 . . 79 ALA HB3 . 51521 1 587 . 1 . 1 79 79 ALA C C 13 174.112 . . 1 . . 355 . . 79 ALA C . 51521 1 588 . 1 . 1 79 79 ALA CA C 13 51.010 0.067 . 1 . . 353 . . 79 ALA CA . 51521 1 589 . 1 . 1 79 79 ALA CB C 13 23.364 0.033 . 1 . . 354 . . 79 ALA CB . 51521 1 590 . 1 . 1 79 79 ALA N N 15 130.168 0.117 . 1 . . 4 . . 79 ALA N . 51521 1 591 . 1 . 1 80 80 SER H H 1 7.898 0.025 . 1 . . 105 . . 80 SER H . 51521 1 592 . 1 . 1 80 80 SER HA H 1 5.303 0.005 . 1 . . 1549 . . 80 SER HA . 51521 1 593 . 1 . 1 80 80 SER HB2 H 1 3.587 0.012 . 2 . . 1550 . . 80 SER HB2 . 51521 1 594 . 1 . 1 80 80 SER HB3 H 1 3.954 0.012 . 2 . . 1551 . . 80 SER HB3 . 51521 1 595 . 1 . 1 80 80 SER C C 13 173.823 . . 1 . . 472 . . 80 SER C . 51521 1 596 . 1 . 1 80 80 SER CA C 13 55.856 0.053 . 1 . . 473 . . 80 SER CA . 51521 1 597 . 1 . 1 80 80 SER CB C 13 63.698 0.111 . 1 . . 474 . . 80 SER CB . 51521 1 598 . 1 . 1 80 80 SER N N 15 113.648 0.001 . 1 . . 106 . . 80 SER N . 51521 1 599 . 1 . 1 81 81 PRO C C 13 177.340 . . 1 . . 1145 . . 81 PRO C . 51521 1 600 . 1 . 1 81 81 PRO CA C 13 63.273 . . 1 . . 1144 . . 81 PRO CA . 51521 1 601 . 1 . 1 81 81 PRO CB C 13 32.081 . . 1 . . 1143 . . 81 PRO CB . 51521 1 602 . 1 . 1 82 82 GLY H H 1 8.332 0.026 . 1 . . 5 . . 82 GLY H . 51521 1 603 . 1 . 1 82 82 GLY HA2 H 1 3.762 0.015 . 2 . . 1370 . . 82 GLY HA2 . 51521 1 604 . 1 . 1 82 82 GLY HA3 H 1 3.905 0.009 . 2 . . 1653 . . 82 GLY HA3 . 51521 1 605 . 1 . 1 82 82 GLY C C 13 174.427 . . 1 . . 357 . . 82 GLY C . 51521 1 606 . 1 . 1 82 82 GLY CA C 13 45.255 0.089 . 1 . . 356 . . 82 GLY CA . 51521 1 607 . 1 . 1 82 82 GLY N N 15 109.860 0.0 . 1 . . 6 . . 82 GLY N . 51521 1 608 . 1 . 1 83 83 ALA H H 1 8.327 0.035 . 1 . . 957 . . 83 ALA H . 51521 1 609 . 1 . 1 83 83 ALA HA H 1 3.981 0.026 . 1 . . 1368 . . 83 ALA HA . 51521 1 610 . 1 . 1 83 83 ALA HB1 H 1 1.263 0.007 . 1 . . 1369 . . 83 ALA HB1 . 51521 1 611 . 1 . 1 83 83 ALA HB2 H 1 1.263 0.007 . 1 . . 1369 . . 83 ALA HB2 . 51521 1 612 . 1 . 1 83 83 ALA HB3 H 1 1.263 0.007 . 1 . . 1369 . . 83 ALA HB3 . 51521 1 613 . 1 . 1 83 83 ALA C C 13 177.913 0.023 . 1 . . 962 . . 83 ALA C . 51521 1 614 . 1 . 1 83 83 ALA CA C 13 53.521 0.019 . 1 . . 959 . . 83 ALA CA . 51521 1 615 . 1 . 1 83 83 ALA CB C 13 19.279 0.019 . 1 . . 961 . . 83 ALA CB . 51521 1 616 . 1 . 1 83 83 ALA N N 15 125.133 0.025 . 1 . . 958 . . 83 ALA N . 51521 1 617 . 1 . 1 84 84 GLU H H 1 7.955 0.035 . 1 . . 951 . . 84 GLU H . 51521 1 618 . 1 . 1 84 84 GLU HB2 H 1 1.732 0.028 . 1 . . 1548 . . 84 GLU HB2 . 51521 1 619 . 1 . 1 84 84 GLU C C 13 175.718 . . 1 . . 955 . . 84 GLU C . 51521 1 620 . 1 . 1 84 84 GLU CA C 13 54.689 . . 1 . . 953 . . 84 GLU CA . 51521 1 621 . 1 . 1 84 84 GLU CB C 13 29.119 0.049 . 1 . . 954 . . 84 GLU CB . 51521 1 622 . 1 . 1 84 84 GLU N N 15 116.977 0.022 . 1 . . 952 . . 84 GLU N . 51521 1 623 . 1 . 1 87 87 ILE H H 1 8.129 0.03 . 1 . . 342 . . 87 ILE H . 51521 1 624 . 1 . 1 87 87 ILE HA H 1 3.687 0.012 . 1 . . 1492 . . 87 ILE HA . 51521 1 625 . 1 . 1 87 87 ILE HB H 1 1.626 . . 1 . . 1796 . . 87 ILE HB . 51521 1 626 . 1 . 1 87 87 ILE HG12 H 1 1.186 0.008 . 1 . . 1608 . . 87 ILE HG12 . 51521 1 627 . 1 . 1 87 87 ILE C C 13 174.122 0.017 . 1 . . 734 . . 87 ILE C . 51521 1 628 . 1 . 1 87 87 ILE CA C 13 61.291 0.03 . 1 . . 732 . . 87 ILE CA . 51521 1 629 . 1 . 1 87 87 ILE CB C 13 39.119 0.04 . 1 . . 733 . . 87 ILE CB . 51521 1 630 . 1 . 1 87 87 ILE CG1 C 13 21.746 0.016 . 1 . . 1091 . . 87 ILE CG1 . 51521 1 631 . 1 . 1 87 87 ILE N N 15 124.548 0.001 . 1 . . 343 . . 87 ILE N . 51521 1 632 . 1 . 1 88 88 LYS H H 1 8.934 0.023 . 1 . . 163 . . 88 LYS H . 51521 1 633 . 1 . 1 88 88 LYS HA H 1 4.561 0.016 . 1 . . 1545 . . 88 LYS HA . 51521 1 634 . 1 . 1 88 88 LYS HB2 H 1 1.683 0.03 . 1 . . 1546 . . 88 LYS HB2 . 51521 1 635 . 1 . 1 88 88 LYS C C 13 176.026 0.012 . 1 . . 524 . . 88 LYS C . 51521 1 636 . 1 . 1 88 88 LYS CA C 13 57.450 0.047 . 1 . . 525 . . 88 LYS CA . 51521 1 637 . 1 . 1 88 88 LYS CB C 13 36.544 0.03 . 1 . . 526 . . 88 LYS CB . 51521 1 638 . 1 . 1 88 88 LYS CG C 13 25.125 . . 1 . . 1089 . . 88 LYS CG . 51521 1 639 . 1 . 1 88 88 LYS CD C 13 29.284 . . 1 . . 1090 . . 88 LYS CD . 51521 1 640 . 1 . 1 88 88 LYS N N 15 125.699 0.002 . 1 . . 164 . . 88 LYS N . 51521 1 641 . 1 . 1 89 89 LYS H H 1 8.254 0.022 . 1 . . 179 . . 89 LYS H . 51521 1 642 . 1 . 1 89 89 LYS C C 13 177.564 . . 1 . . 1137 . . 89 LYS C . 51521 1 643 . 1 . 1 89 89 LYS CA C 13 54.840 . . 1 . . 552 . . 89 LYS CA . 51521 1 644 . 1 . 1 89 89 LYS CB C 13 34.700 . . 1 . . 553 . . 89 LYS CB . 51521 1 645 . 1 . 1 89 89 LYS N N 15 119.905 0.0 . 1 . . 180 . . 89 LYS N . 51521 1 646 . 1 . 1 90 90 GLU CA C 13 60.268 . . 1 . . 1142 . . 90 GLU CA . 51521 1 647 . 1 . 1 90 90 GLU CG C 13 34.398 . . 1 . . 1088 . . 90 GLU CG . 51521 1 648 . 1 . 1 91 91 GLN H H 1 9.035 0.027 . 1 . . 126 . . 91 GLN H . 51521 1 649 . 1 . 1 91 91 GLN HA H 1 3.939 0.008 . 1 . . 1366 . . 91 GLN HA . 51521 1 650 . 1 . 1 91 91 GLN HB2 H 1 1.897 0.001 . 2 . . 1660 . . 91 GLN HB2 . 51521 1 651 . 1 . 1 91 91 GLN HB3 H 1 2.047 0.001 . 2 . . 1661 . . 91 GLN HB3 . 51521 1 652 . 1 . 1 91 91 GLN C C 13 177.580 0.006 . 1 . . 491 . . 91 GLN C . 51521 1 653 . 1 . 1 91 91 GLN CA C 13 58.575 0.028 . 1 . . 490 . . 91 GLN CA . 51521 1 654 . 1 . 1 91 91 GLN CB C 13 28.522 0.086 . 1 . . 964 . . 91 GLN CB . 51521 1 655 . 1 . 1 91 91 GLN CG C 13 33.817 . . 1 . . 1087 . . 91 GLN CG . 51521 1 656 . 1 . 1 91 91 GLN N N 15 116.584 0.001 . 1 . . 127 . . 91 GLN N . 51521 1 657 . 1 . 1 92 92 ASP H H 1 7.185 0.032 . 1 . . 293 . . 92 ASP H . 51521 1 658 . 1 . 1 92 92 ASP HA H 1 4.377 0.008 . 1 . . 1362 . . 92 ASP HA . 51521 1 659 . 1 . 1 92 92 ASP HB2 H 1 2.967 0.0 . 2 . . 1364 . . 92 ASP HB2 . 51521 1 660 . 1 . 1 92 92 ASP HB3 H 1 2.707 0.006 . 2 . . 1365 . . 92 ASP HB3 . 51521 1 661 . 1 . 1 92 92 ASP C C 13 179.174 0.014 . 1 . . 679 . . 92 ASP C . 51521 1 662 . 1 . 1 92 92 ASP CA C 13 56.466 0.05 . 1 . . 683 . . 92 ASP CA . 51521 1 663 . 1 . 1 92 92 ASP CB C 13 41.321 0.0 . 1 . . 685 . . 92 ASP CB . 51521 1 664 . 1 . 1 92 92 ASP N N 15 118.119 0.018 . 1 . . 294 . . 92 ASP N . 51521 1 665 . 1 . 1 93 93 PHE H H 1 7.510 0.024 . 1 . . 35 . . 93 PHE H . 51521 1 666 . 1 . 1 93 93 PHE HA H 1 3.668 0.012 . 1 . . 1363 . . 93 PHE HA . 51521 1 667 . 1 . 1 93 93 PHE HB2 H 1 2.821 0.016 . 2 . . 1361 . . 93 PHE HB2 . 51521 1 668 . 1 . 1 93 93 PHE HB3 H 1 3.024 0.009 . 2 . . 1662 . . 93 PHE HB3 . 51521 1 669 . 1 . 1 93 93 PHE C C 13 177.703 0.001 . 1 . . 397 . . 93 PHE C . 51521 1 670 . 1 . 1 93 93 PHE CA C 13 62.925 0.16 . 1 . . 396 . . 93 PHE CA . 51521 1 671 . 1 . 1 93 93 PHE CB C 13 39.035 0.031 . 1 . . 395 . . 93 PHE CB . 51521 1 672 . 1 . 1 93 93 PHE N N 15 119.479 0.016 . 1 . . 36 . . 93 PHE N . 51521 1 673 . 1 . 1 94 94 GLN H H 1 7.950 0.04 . 1 . . 153 . . 94 GLN H . 51521 1 674 . 1 . 1 94 94 GLN HA H 1 3.821 0.01 . 1 . . 1358 . . 94 GLN HA . 51521 1 675 . 1 . 1 94 94 GLN HB2 H 1 1.947 0.005 . 1 . . 1359 . . 94 GLN HB2 . 51521 1 676 . 1 . 1 94 94 GLN HG2 H 1 2.202 0.008 . 1 . . 1360 . . 94 GLN HG2 . 51521 1 677 . 1 . 1 94 94 GLN C C 13 179.352 0.003 . 1 . . 517 . . 94 GLN C . 51521 1 678 . 1 . 1 94 94 GLN CA C 13 58.438 0.019 . 1 . . 515 . . 94 GLN CA . 51521 1 679 . 1 . 1 94 94 GLN CB C 13 27.359 0.046 . 1 . . 516 . . 94 GLN CB . 51521 1 680 . 1 . 1 94 94 GLN CG C 13 32.656 . . 1 . . 1086 . . 94 GLN CG . 51521 1 681 . 1 . 1 94 94 GLN N N 15 115.651 0.047 . 1 . . 154 . . 94 GLN N . 51521 1 682 . 1 . 1 95 95 ASN H H 1 8.002 0.025 . 1 . . 9 . . 95 ASN H . 51521 1 683 . 1 . 1 95 95 ASN HA H 1 4.561 0.007 . 1 . . 1356 . . 95 ASN HA . 51521 1 684 . 1 . 1 95 95 ASN HB2 H 1 2.883 0.027 . 1 . . 1357 . . 95 ASN HB2 . 51521 1 685 . 1 . 1 95 95 ASN C C 13 175.371 . . 1 . . 363 . . 95 ASN C . 51521 1 686 . 1 . 1 95 95 ASN CA C 13 54.307 0.03 . 1 . . 361 . . 95 ASN CA . 51521 1 687 . 1 . 1 95 95 ASN CB C 13 38.476 0.038 . 1 . . 362 . . 95 ASN CB . 51521 1 688 . 1 . 1 95 95 ASN N N 15 115.776 0.009 . 1 . . 10 . . 95 ASN N . 51521 1 689 . 1 . 1 96 96 ALA H H 1 7.388 0.033 . 1 . . 283 . . 96 ALA H . 51521 1 690 . 1 . 1 96 96 ALA HA H 1 4.289 0.011 . 1 . . 1354 . . 96 ALA HA . 51521 1 691 . 1 . 1 96 96 ALA HB1 H 1 1.122 0.012 . 1 . . 1355 . . 96 ALA HB1 . 51521 1 692 . 1 . 1 96 96 ALA HB2 H 1 1.122 0.012 . 1 . . 1355 . . 96 ALA HB2 . 51521 1 693 . 1 . 1 96 96 ALA HB3 H 1 1.122 0.012 . 1 . . 1355 . . 96 ALA HB3 . 51521 1 694 . 1 . 1 96 96 ALA C C 13 180.809 . . 1 . . 672 . . 96 ALA C . 51521 1 695 . 1 . 1 96 96 ALA CA C 13 51.502 0.023 . 1 . . 670 . . 96 ALA CA . 51521 1 696 . 1 . 1 96 96 ALA CB C 13 19.221 0.053 . 1 . . 671 . . 96 ALA CB . 51521 1 697 . 1 . 1 96 96 ALA N N 15 122.152 0.169 . 1 . . 284 . . 96 ALA N . 51521 1 698 . 1 . 1 97 97 ILE H H 1 6.968 0.023 . 1 . . 187 . . 97 ILE H . 51521 1 699 . 1 . 1 97 97 ILE HA H 1 3.510 0.01 . 1 . . 1352 . . 97 ILE HA . 51521 1 700 . 1 . 1 97 97 ILE HB H 1 1.714 0.009 . 1 . . 1353 . . 97 ILE HB . 51521 1 701 . 1 . 1 97 97 ILE HG12 H 1 0.893 0.02 . 1 . . 1609 . . 97 ILE HG12 . 51521 1 702 . 1 . 1 97 97 ILE C C 13 178.321 . . 1 . . 561 . . 97 ILE C . 51521 1 703 . 1 . 1 97 97 ILE CA C 13 64.688 0.015 . 1 . . 559 . . 97 ILE CA . 51521 1 704 . 1 . 1 97 97 ILE CB C 13 37.847 0.067 . 1 . . 560 . . 97 ILE CB . 51521 1 705 . 1 . 1 97 97 ILE CG2 C 13 17.134 0.115 . 1 . . 1085 . . 97 ILE CG2 . 51521 1 706 . 1 . 1 97 97 ILE N N 15 121.304 0.008 . 1 . . 188 . . 97 ILE N . 51521 1 707 . 1 . 1 98 98 THR H H 1 9.531 0.037 . 1 . . 290 . . 98 THR H . 51521 1 708 . 1 . 1 98 98 THR HA H 1 3.926 0.014 . 1 . . 1347 . . 98 THR HA . 51521 1 709 . 1 . 1 98 98 THR HB H 1 4.488 0.01 . 1 . . 1348 . . 98 THR HB . 51521 1 710 . 1 . 1 98 98 THR C C 13 173.003 0.01 . 1 . . 1135 . . 98 THR C . 51521 1 711 . 1 . 1 98 98 THR CA C 13 66.479 0.076 . 1 . . 677 . . 98 THR CA . 51521 1 712 . 1 . 1 98 98 THR CB C 13 69.417 0.057 . 1 . . 678 . . 98 THR CB . 51521 1 713 . 1 . 1 98 98 THR CG2 C 13 22.530 . . 1 . . 1792 . . 98 THR CG2 . 51521 1 714 . 1 . 1 98 98 THR N N 15 120.895 0.025 . 1 . . 291 . . 98 THR N . 51521 1 715 . 1 . 1 99 99 LYS H H 1 8.655 0.024 . 1 . . 329 . . 99 LYS H . 51521 1 716 . 1 . 1 99 99 LYS HA H 1 4.900 0.012 . 1 . . 1351 . . 99 LYS HA . 51521 1 717 . 1 . 1 99 99 LYS HB2 H 1 2.230 0.004 . 1 . . 1350 . . 99 LYS HB2 . 51521 1 718 . 1 . 1 99 99 LYS HD2 H 1 2.012 0.0 . 1 . . 1349 . . 99 LYS HD2 . 51521 1 719 . 1 . 1 99 99 LYS C C 13 173.919 . . 1 . . 1136 . . 99 LYS C . 51521 1 720 . 1 . 1 99 99 LYS CA C 13 53.739 0.0 . 1 . . 725 . . 99 LYS CA . 51521 1 721 . 1 . 1 99 99 LYS CB C 13 31.470 0.005 . 1 . . 724 . . 99 LYS CB . 51521 1 722 . 1 . 1 99 99 LYS N N 15 123.433 0.006 . 1 . . 330 . . 99 LYS N . 51521 1 723 . 1 . 1 100 100 PRO HA H 1 4.983 0.0 . 1 . . 1346 . . 100 PRO HA . 51521 1 724 . 1 . 1 100 100 PRO HB2 H 1 1.910 . . 1 . . 1345 . . 100 PRO HB2 . 51521 1 725 . 1 . 1 100 100 PRO CA C 13 62.200 . . 1 . . 1079 . . 100 PRO CA . 51521 1 726 . 1 . 1 100 100 PRO CB C 13 31.362 . . 1 . . 1080 . . 100 PRO CB . 51521 1 727 . 1 . 1 101 101 VAL H H 1 9.463 0.031 . 1 . . 301 . . 101 VAL H . 51521 1 728 . 1 . 1 101 101 VAL HA H 1 4.892 0.008 . 1 . . 1344 . . 101 VAL HA . 51521 1 729 . 1 . 1 101 101 VAL HB H 1 1.812 0.026 . 1 . . 1343 . . 101 VAL HB . 51521 1 730 . 1 . 1 101 101 VAL HG11 H 1 0.600 0.01 . 2 . . 1610 . . 101 VAL HG11 . 51521 1 731 . 1 . 1 101 101 VAL HG12 H 1 0.600 0.01 . 2 . . 1610 . . 101 VAL HG12 . 51521 1 732 . 1 . 1 101 101 VAL HG13 H 1 0.600 0.01 . 2 . . 1610 . . 101 VAL HG13 . 51521 1 733 . 1 . 1 101 101 VAL HG21 H 1 0.622 0.014 . 2 . . 1611 . . 101 VAL HG21 . 51521 1 734 . 1 . 1 101 101 VAL HG22 H 1 0.622 0.014 . 2 . . 1611 . . 101 VAL HG22 . 51521 1 735 . 1 . 1 101 101 VAL HG23 H 1 0.622 0.014 . 2 . . 1611 . . 101 VAL HG23 . 51521 1 736 . 1 . 1 101 101 VAL C C 13 172.415 . . 1 . . 699 . . 101 VAL C . 51521 1 737 . 1 . 1 101 101 VAL CA C 13 59.053 0.024 . 1 . . 696 . . 101 VAL CA . 51521 1 738 . 1 . 1 101 101 VAL CB C 13 36.789 0.159 . 1 . . 697 . . 101 VAL CB . 51521 1 739 . 1 . 1 101 101 VAL CG1 C 13 22.504 0.069 . 2 . . 1081 . . 101 VAL CG1 . 51521 1 740 . 1 . 1 101 101 VAL CG2 C 13 18.826 0.033 . 2 . . 1612 . . 101 VAL CG2 . 51521 1 741 . 1 . 1 101 101 VAL N N 15 117.888 0.001 . 1 . . 302 . . 101 VAL N . 51521 1 742 . 1 . 1 102 102 PHE H H 1 8.840 0.026 . 1 . . 311 . . 102 PHE H . 51521 1 743 . 1 . 1 102 102 PHE HA H 1 5.486 0.006 . 1 . . 1341 . . 102 PHE HA . 51521 1 744 . 1 . 1 102 102 PHE HB2 H 1 2.703 0.005 . 1 . . 1342 . . 102 PHE HB2 . 51521 1 745 . 1 . 1 102 102 PHE C C 13 175.141 . . 1 . . 706 . . 102 PHE C . 51521 1 746 . 1 . 1 102 102 PHE CA C 13 55.964 0.041 . 1 . . 707 . . 102 PHE CA . 51521 1 747 . 1 . 1 102 102 PHE CB C 13 42.626 0.019 . 1 . . 708 . . 102 PHE CB . 51521 1 748 . 1 . 1 102 102 PHE N N 15 121.759 0.006 . 1 . . 312 . . 102 PHE N . 51521 1 749 . 1 . 1 103 103 VAL H H 1 8.634 0.03 . 1 . . 210 . . 103 VAL H . 51521 1 750 . 1 . 1 103 103 VAL HA H 1 4.682 0.014 . 1 . . 1339 . . 103 VAL HA . 51521 1 751 . 1 . 1 103 103 VAL HB H 1 1.815 0.009 . 1 . . 1340 . . 103 VAL HB . 51521 1 752 . 1 . 1 103 103 VAL HG11 H 1 0.820 0.005 . 1 . . 1618 . . 103 VAL HG11 . 51521 1 753 . 1 . 1 103 103 VAL HG12 H 1 0.820 0.005 . 1 . . 1618 . . 103 VAL HG12 . 51521 1 754 . 1 . 1 103 103 VAL HG13 H 1 0.820 0.005 . 1 . . 1618 . . 103 VAL HG13 . 51521 1 755 . 1 . 1 103 103 VAL C C 13 172.758 0.003 . 1 . . 583 . . 103 VAL C . 51521 1 756 . 1 . 1 103 103 VAL CA C 13 59.647 0.02 . 1 . . 584 . . 103 VAL CA . 51521 1 757 . 1 . 1 103 103 VAL CB C 13 34.888 0.012 . 1 . . 585 . . 103 VAL CB . 51521 1 758 . 1 . 1 103 103 VAL CG1 C 13 22.299 0.061 . 2 . . 1616 . . 103 VAL CG1 . 51521 1 759 . 1 . 1 103 103 VAL CG2 C 13 20.039 . . 2 . . 1617 . . 103 VAL CG2 . 51521 1 760 . 1 . 1 103 103 VAL N N 15 124.010 0.006 . 1 . . 211 . . 103 VAL N . 51521 1 761 . 1 . 1 104 104 SER H H 1 8.702 0.029 . 1 . . 155 . . 104 SER H . 51521 1 762 . 1 . 1 104 104 SER HA H 1 4.980 0.008 . 1 . . 1336 . . 104 SER HA . 51521 1 763 . 1 . 1 104 104 SER HB2 H 1 3.770 0.006 . 2 . . 1337 . . 104 SER HB2 . 51521 1 764 . 1 . 1 104 104 SER HB3 H 1 3.644 0.006 . 2 . . 1338 . . 104 SER HB3 . 51521 1 765 . 1 . 1 104 104 SER C C 13 174.645 0.018 . 1 . . 518 . . 104 SER C . 51521 1 766 . 1 . 1 104 104 SER CA C 13 56.506 0.029 . 1 . . 519 . . 104 SER CA . 51521 1 767 . 1 . 1 104 104 SER CB C 13 64.305 0.012 . 1 . . 520 . . 104 SER CB . 51521 1 768 . 1 . 1 104 104 SER N N 15 119.315 0.023 . 1 . . 156 . . 104 SER N . 51521 1 769 . 1 . 1 105 105 LEU H H 1 9.134 0.028 . 1 . . 148 . . 105 LEU H . 51521 1 770 . 1 . 1 105 105 LEU HA H 1 5.096 0.004 . 1 . . 1335 . . 105 LEU HA . 51521 1 771 . 1 . 1 105 105 LEU HB2 H 1 1.924 0.011 . 2 . . 1333 . . 105 LEU HB2 . 51521 1 772 . 1 . 1 105 105 LEU HB3 H 1 1.764 0.004 . 2 . . 1334 . . 105 LEU HB3 . 51521 1 773 . 1 . 1 105 105 LEU C C 13 178.222 0.0 . 1 . . 511 . . 105 LEU C . 51521 1 774 . 1 . 1 105 105 LEU CA C 13 53.794 0.0 . 1 . . 509 . . 105 LEU CA . 51521 1 775 . 1 . 1 105 105 LEU CB C 13 46.175 0.029 . 1 . . 510 . . 105 LEU CB . 51521 1 776 . 1 . 1 105 105 LEU CG C 13 26.290 . . 1 . . 1083 . . 105 LEU CG . 51521 1 777 . 1 . 1 105 105 LEU N N 15 125.723 0.002 . 1 . . 149 . . 105 LEU N . 51521 1 778 . 1 . 1 106 106 TYR H H 1 8.642 0.027 . 1 . . 259 . . 106 TYR H . 51521 1 779 . 1 . 1 106 106 TYR HA H 1 4.418 0.011 . 1 . . 1328 . . 106 TYR HA . 51521 1 780 . 1 . 1 106 106 TYR HB2 H 1 2.525 0.005 . 2 . . 1329 . . 106 TYR HB2 . 51521 1 781 . 1 . 1 106 106 TYR HB3 H 1 3.347 0.004 . 2 . . 1330 . . 106 TYR HB3 . 51521 1 782 . 1 . 1 106 106 TYR C C 13 176.410 0.006 . 1 . . 648 . . 106 TYR C . 51521 1 783 . 1 . 1 106 106 TYR CA C 13 60.586 0.03 . 1 . . 646 . . 106 TYR CA . 51521 1 784 . 1 . 1 106 106 TYR CB C 13 40.735 0.002 . 1 . . 647 . . 106 TYR CB . 51521 1 785 . 1 . 1 106 106 TYR N N 15 116.947 0.074 . 1 . . 260 . . 106 TYR N . 51521 1 786 . 1 . 1 107 107 VAL H H 1 7.163 0.038 . 1 . . 214 . . 107 VAL H . 51521 1 787 . 1 . 1 107 107 VAL HA H 1 4.699 0.012 . 1 . . 1331 . . 107 VAL HA . 51521 1 788 . 1 . 1 107 107 VAL HB H 1 2.164 0.006 . 1 . . 1332 . . 107 VAL HB . 51521 1 789 . 1 . 1 107 107 VAL C C 13 171.108 . . 1 . . 589 . . 107 VAL C . 51521 1 790 . 1 . 1 107 107 VAL CA C 13 56.882 . . 1 . . 590 . . 107 VAL CA . 51521 1 791 . 1 . 1 107 107 VAL CB C 13 33.979 0.03 . 1 . . 591 . . 107 VAL CB . 51521 1 792 . 1 . 1 107 107 VAL N N 15 110.255 0.019 . 1 . . 215 . . 107 VAL N . 51521 1 793 . 1 . 1 108 108 PRO C C 13 176.836 . . 1 . . 1078 . . 108 PRO C . 51521 1 794 . 1 . 1 108 108 PRO CA C 13 62.515 . . 1 . . 1077 . . 108 PRO CA . 51521 1 795 . 1 . 1 108 108 PRO CB C 13 31.459 . . 1 . . 1076 . . 108 PRO CB . 51521 1 796 . 1 . 1 108 108 PRO CG C 13 27.555 . . 1 . . 1075 . . 108 PRO CG . 51521 1 797 . 1 . 1 109 109 ILE H H 1 8.397 0.031 . 1 . . 273 . . 109 ILE H . 51521 1 798 . 1 . 1 109 109 ILE HA H 1 4.293 0.009 . 1 . . 1543 . . 109 ILE HA . 51521 1 799 . 1 . 1 109 109 ILE HB H 1 1.683 0.005 . 1 . . 1544 . . 109 ILE HB . 51521 1 800 . 1 . 1 109 109 ILE C C 13 175.753 0.013 . 1 . . 660 . . 109 ILE C . 51521 1 801 . 1 . 1 109 109 ILE CA C 13 59.736 0.021 . 1 . . 659 . . 109 ILE CA . 51521 1 802 . 1 . 1 109 109 ILE CB C 13 39.710 0.018 . 1 . . 658 . . 109 ILE CB . 51521 1 803 . 1 . 1 109 109 ILE CG1 C 13 27.443 . . 1 . . 1074 . . 109 ILE CG1 . 51521 1 804 . 1 . 1 109 109 ILE CG2 C 13 17.015 . . 1 . . 1073 . . 109 ILE CG2 . 51521 1 805 . 1 . 1 109 109 ILE N N 15 123.750 0.03 . 1 . . 274 . . 109 ILE N . 51521 1 806 . 1 . 1 110 110 GLU H H 1 9.389 0.023 . 1 . . 212 . . 110 GLU H . 51521 1 807 . 1 . 1 110 110 GLU HA H 1 3.842 0.006 . 1 . . 1541 . . 110 GLU HA . 51521 1 808 . 1 . 1 110 110 GLU HB2 H 1 2.453 0.008 . 1 . . 1542 . . 110 GLU HB2 . 51521 1 809 . 1 . 1 110 110 GLU HG2 H 1 2.100 0.009 . 1 . . 1619 . . 110 GLU HG2 . 51521 1 810 . 1 . 1 110 110 GLU C C 13 176.111 0.017 . 1 . . 588 . . 110 GLU C . 51521 1 811 . 1 . 1 110 110 GLU CA C 13 57.409 0.024 . 1 . . 586 . . 110 GLU CA . 51521 1 812 . 1 . 1 110 110 GLU CB C 13 26.523 0.065 . 1 . . 587 . . 110 GLU CB . 51521 1 813 . 1 . 1 110 110 GLU CG C 13 35.682 0.068 . 1 . . 1072 . . 110 GLU CG . 51521 1 814 . 1 . 1 110 110 GLU N N 15 125.507 0.068 . 1 . . 213 . . 110 GLU N . 51521 1 815 . 1 . 1 111 111 GLY H H 1 8.385 0.029 . 1 . . 132 . . 111 GLY H . 51521 1 816 . 1 . 1 111 111 GLY HA2 H 1 4.329 0.006 . 2 . . 1650 . . 111 GLY HA2 . 51521 1 817 . 1 . 1 111 111 GLY HA3 H 1 3.516 0.005 . 2 . . 1652 . . 111 GLY HA3 . 51521 1 818 . 1 . 1 111 111 GLY C C 13 174.346 0.002 . 1 . . 500 . . 111 GLY C . 51521 1 819 . 1 . 1 111 111 GLY CA C 13 45.281 0.016 . 1 . . 501 . . 111 GLY CA . 51521 1 820 . 1 . 1 111 111 GLY N N 15 102.036 0.069 . 1 . . 133 . . 111 GLY N . 51521 1 821 . 1 . 1 112 112 GLU H H 1 7.393 0.028 . 1 . . 49 . . 112 GLU H . 51521 1 822 . 1 . 1 112 112 GLU HA H 1 4.743 0.007 . 1 . . 1321 . . 112 GLU HA . 51521 1 823 . 1 . 1 112 112 GLU HB2 H 1 1.425 0.0 . 2 . . 1322 . . 112 GLU HB2 . 51521 1 824 . 1 . 1 112 112 GLU HB3 H 1 1.485 0.0 . 2 . . 1323 . . 112 GLU HB3 . 51521 1 825 . 1 . 1 112 112 GLU C C 13 175.577 . . 1 . . 410 . . 112 GLU C . 51521 1 826 . 1 . 1 112 112 GLU CA C 13 54.146 0.02 . 1 . . 411 . . 112 GLU CA . 51521 1 827 . 1 . 1 112 112 GLU CB C 13 32.338 . . 1 . . 412 . . 112 GLU CB . 51521 1 828 . 1 . 1 112 112 GLU CG C 13 34.412 0.005 . 1 . . 1071 . . 112 GLU CG . 51521 1 829 . 1 . 1 112 112 GLU N N 15 117.077 0.008 . 1 . . 50 . . 112 GLU N . 51521 1 830 . 1 . 1 113 113 LYS H H 1 8.635 0.024 . 1 . . 309 . . 113 LYS H . 51521 1 831 . 1 . 1 113 113 LYS HA H 1 4.304 0.004 . 1 . . 1320 . . 113 LYS HA . 51521 1 832 . 1 . 1 113 113 LYS HB2 H 1 1.548 0.003 . 1 . . 1318 . . 113 LYS HB2 . 51521 1 833 . 1 . 1 113 113 LYS HG2 H 1 1.942 0.01 . 1 . . 1319 . . 113 LYS HG2 . 51521 1 834 . 1 . 1 113 113 LYS C C 13 173.950 . . 1 . . 705 . . 113 LYS C . 51521 1 835 . 1 . 1 113 113 LYS CA C 13 56.286 0.049 . 1 . . 703 . . 113 LYS CA . 51521 1 836 . 1 . 1 113 113 LYS CB C 13 32.979 0.003 . 1 . . 704 . . 113 LYS CB . 51521 1 837 . 1 . 1 113 113 LYS CG C 13 25.874 . . 1 . . 1069 . . 113 LYS CG . 51521 1 838 . 1 . 1 113 113 LYS CD C 13 29.220 . . 1 . . 1070 . . 113 LYS CD . 51521 1 839 . 1 . 1 113 113 LYS N N 15 119.179 0.0 . 1 . . 310 . . 113 LYS N . 51521 1 840 . 1 . 1 114 114 GLU H H 1 6.904 0.037 . 1 . . 101 . . 114 GLU H . 51521 1 841 . 1 . 1 114 114 GLU HA H 1 5.027 0.007 . 1 . . 1315 . . 114 GLU HA . 51521 1 842 . 1 . 1 114 114 GLU HB2 H 1 1.615 0.012 . 1 . . 1316 . . 114 GLU HB2 . 51521 1 843 . 1 . 1 114 114 GLU HG2 H 1 1.842 0.003 . 1 . . 1317 . . 114 GLU HG2 . 51521 1 844 . 1 . 1 114 114 GLU C C 13 173.974 0.023 . 1 . . 965 . . 114 GLU C . 51521 1 845 . 1 . 1 114 114 GLU CA C 13 54.632 0.032 . 1 . . 467 . . 114 GLU CA . 51521 1 846 . 1 . 1 114 114 GLU CB C 13 32.321 0.016 . 1 . . 468 . . 114 GLU CB . 51521 1 847 . 1 . 1 114 114 GLU CG C 13 36.009 0.015 . 1 . . 1068 . . 114 GLU CG . 51521 1 848 . 1 . 1 114 114 GLU N N 15 117.442 0.006 . 1 . . 102 . . 114 GLU N . 51521 1 849 . 1 . 1 115 115 TRP H H 1 8.202 0.022 . 1 . . 325 . . 115 TRP H . 51521 1 850 . 1 . 1 115 115 TRP HA H 1 4.673 0.009 . 1 . . 1312 . . 115 TRP HA . 51521 1 851 . 1 . 1 115 115 TRP HB2 H 1 2.842 0.014 . 2 . . 1313 . . 115 TRP HB2 . 51521 1 852 . 1 . 1 115 115 TRP HB3 H 1 2.298 0.002 . 2 . . 1314 . . 115 TRP HB3 . 51521 1 853 . 1 . 1 115 115 TRP C C 13 172.820 0.001 . 1 . . 720 . . 115 TRP C . 51521 1 854 . 1 . 1 115 115 TRP CA C 13 56.310 0.001 . 1 . . 718 . . 115 TRP CA . 51521 1 855 . 1 . 1 115 115 TRP CB C 13 35.055 0.073 . 1 . . 719 . . 115 TRP CB . 51521 1 856 . 1 . 1 115 115 TRP N N 15 119.265 0.101 . 1 . . 326 . . 115 TRP N . 51521 1 857 . 1 . 1 116 116 LEU H H 1 8.365 0.024 . 1 . . 281 . . 116 LEU H . 51521 1 858 . 1 . 1 116 116 LEU HA H 1 5.520 0.009 . 1 . . 1308 . . 116 LEU HA . 51521 1 859 . 1 . 1 116 116 LEU HB2 H 1 1.924 0.008 . 2 . . 1310 . . 116 LEU HB2 . 51521 1 860 . 1 . 1 116 116 LEU HB3 H 1 1.605 0.01 . 2 . . 1649 . . 116 LEU HB3 . 51521 1 861 . 1 . 1 116 116 LEU HG H 1 1.557 0.03 . 1 . . 1311 . . 116 LEU HG . 51521 1 862 . 1 . 1 116 116 LEU C C 13 176.501 0.008 . 1 . . 673 . . 116 LEU C . 51521 1 863 . 1 . 1 116 116 LEU CA C 13 53.274 0.024 . 1 . . 668 . . 116 LEU CA . 51521 1 864 . 1 . 1 116 116 LEU CB C 13 45.272 0.053 . 1 . . 669 . . 116 LEU CB . 51521 1 865 . 1 . 1 116 116 LEU CG C 13 28.285 0.052 . 1 . . 1066 . . 116 LEU CG . 51521 1 866 . 1 . 1 116 116 LEU CD1 C 13 25.300 . . 1 . . 1067 . . 116 LEU CD1 . 51521 1 867 . 1 . 1 116 116 LEU N N 15 125.215 0.01 . 1 . . 282 . . 116 LEU N . 51521 1 868 . 1 . 1 117 117 GLY H H 1 8.728 0.024 . 1 . . 65 . . 117 GLY H . 51521 1 869 . 1 . 1 117 117 GLY HA2 H 1 4.042 0.004 . 2 . . 1306 . . 117 GLY HA2 . 51521 1 870 . 1 . 1 117 117 GLY HA3 H 1 4.203 0.008 . 2 . . 1309 . . 117 GLY HA3 . 51521 1 871 . 1 . 1 117 117 GLY C C 13 170.900 0.005 . 1 . . 428 . . 117 GLY C . 51521 1 872 . 1 . 1 117 117 GLY CA C 13 46.174 0.018 . 1 . . 427 . . 117 GLY CA . 51521 1 873 . 1 . 1 117 117 GLY N N 15 111.827 0.019 . 1 . . 66 . . 117 GLY N . 51521 1 874 . 1 . 1 118 118 ILE H H 1 8.426 0.03 . 1 . . 97 . . 118 ILE H . 51521 1 875 . 1 . 1 118 118 ILE HA H 1 4.323 0.015 . 1 . . 1304 . . 118 ILE HA . 51521 1 876 . 1 . 1 118 118 ILE HB H 1 1.738 0.015 . 1 . . 1303 . . 118 ILE HB . 51521 1 877 . 1 . 1 118 118 ILE HG12 H 1 1.224 0.001 . 1 . . 1305 . . 118 ILE HG12 . 51521 1 878 . 1 . 1 118 118 ILE C C 13 177.128 0.009 . 1 . . 462 . . 118 ILE C . 51521 1 879 . 1 . 1 118 118 ILE CA C 13 58.407 0.05 . 1 . . 463 . . 118 ILE CA . 51521 1 880 . 1 . 1 118 118 ILE CB C 13 38.478 0.038 . 1 . . 464 . . 118 ILE CB . 51521 1 881 . 1 . 1 118 118 ILE CG2 C 13 16.830 0.0 . 1 . . 1059 . . 118 ILE CG2 . 51521 1 882 . 1 . 1 118 118 ILE N N 15 119.689 0.001 . 1 . . 98 . . 118 ILE N . 51521 1 883 . 1 . 1 119 119 LEU H H 1 8.458 0.021 . 1 . . 99 . . 119 LEU H . 51521 1 884 . 1 . 1 119 119 LEU HA H 1 4.254 0.014 . 1 . . 1302 . . 119 LEU HA . 51521 1 885 . 1 . 1 119 119 LEU HB2 H 1 2.429 0.006 . 1 . . 1301 . . 119 LEU HB2 . 51521 1 886 . 1 . 1 119 119 LEU C C 13 174.875 0.009 . 1 . . 933 . . 119 LEU C . 51521 1 887 . 1 . 1 119 119 LEU CA C 13 56.164 0.037 . 1 . . 466 . . 119 LEU CA . 51521 1 888 . 1 . 1 119 119 LEU CB C 13 40.999 0.011 . 1 . . 465 . . 119 LEU CB . 51521 1 889 . 1 . 1 119 119 LEU CG C 13 24.972 . . 1 . . 1060 . . 119 LEU CG . 51521 1 890 . 1 . 1 119 119 LEU N N 15 131.101 0.001 . 1 . . 100 . . 119 LEU N . 51521 1 891 . 1 . 1 120 120 GLN H H 1 9.093 0.029 . 1 . . 91 . . 120 GLN H . 51521 1 892 . 1 . 1 120 120 GLN HA H 1 4.557 0.001 . 1 . . 1296 . . 120 GLN HA . 51521 1 893 . 1 . 1 120 120 GLN HB2 H 1 1.564 0.007 . 2 . . 1297 . . 120 GLN HB2 . 51521 1 894 . 1 . 1 120 120 GLN HB3 H 1 1.572 0.015 . 2 . . 1299 . . 120 GLN HB3 . 51521 1 895 . 1 . 1 120 120 GLN HG2 H 1 2.022 0.004 . 2 . . 1298 . . 120 GLN HG2 . 51521 1 896 . 1 . 1 120 120 GLN HG3 H 1 1.993 0.005 . 2 . . 1300 . . 120 GLN HG3 . 51521 1 897 . 1 . 1 120 120 GLN C C 13 176.426 0.001 . 1 . . 458 . . 120 GLN C . 51521 1 898 . 1 . 1 120 120 GLN CA C 13 56.579 0.044 . 1 . . 457 . . 120 GLN CA . 51521 1 899 . 1 . 1 120 120 GLN CB C 13 32.067 . . 1 . . 456 . . 120 GLN CB . 51521 1 900 . 1 . 1 120 120 GLN CG C 13 33.059 0.054 . 1 . . 1061 . . 120 GLN CG . 51521 1 901 . 1 . 1 120 120 GLN N N 15 128.643 0.064 . 1 . . 92 . . 120 GLN N . 51521 1 902 . 1 . 1 121 121 GLU H H 1 7.312 0.033 . 1 . . 351 . . 121 GLU H . 51521 1 903 . 1 . 1 121 121 GLU HA H 1 4.493 0.003 . 1 . . 1295 . . 121 GLU HA . 51521 1 904 . 1 . 1 121 121 GLU HB2 H 1 1.799 0.01 . 1 . . 1293 . . 121 GLU HB2 . 51521 1 905 . 1 . 1 121 121 GLU HG2 H 1 2.195 0.001 . 1 . . 1620 . . 121 GLU HG2 . 51521 1 906 . 1 . 1 121 121 GLU C C 13 173.993 0.015 . 1 . . 746 . . 121 GLU C . 51521 1 907 . 1 . 1 121 121 GLU CA C 13 55.306 0.005 . 1 . . 745 . . 121 GLU CA . 51521 1 908 . 1 . 1 121 121 GLU CB C 13 34.236 0.04 . 1 . . 744 . . 121 GLU CB . 51521 1 909 . 1 . 1 121 121 GLU CG C 13 35.870 0.011 . 1 . . 1621 . . 121 GLU CG . 51521 1 910 . 1 . 1 121 121 GLU N N 15 115.211 0.031 . 1 . . 352 . . 121 GLU N . 51521 1 911 . 1 . 1 122 122 VAL H H 1 8.672 0.031 . 1 . . 275 . . 122 VAL H . 51521 1 912 . 1 . 1 122 122 VAL HA H 1 4.179 0.011 . 1 . . 1290 . . 122 VAL HA . 51521 1 913 . 1 . 1 122 122 VAL HB H 1 1.778 0.009 . 1 . . 1292 . . 122 VAL HB . 51521 1 914 . 1 . 1 122 122 VAL HG11 H 1 0.606 0.016 . 2 . . 1622 . . 122 VAL HG11 . 51521 1 915 . 1 . 1 122 122 VAL HG12 H 1 0.606 0.016 . 2 . . 1622 . . 122 VAL HG12 . 51521 1 916 . 1 . 1 122 122 VAL HG13 H 1 0.606 0.016 . 2 . . 1622 . . 122 VAL HG13 . 51521 1 917 . 1 . 1 122 122 VAL HG21 H 1 0.877 0.016 . 2 . . 1623 . . 122 VAL HG21 . 51521 1 918 . 1 . 1 122 122 VAL HG22 H 1 0.877 0.016 . 2 . . 1623 . . 122 VAL HG22 . 51521 1 919 . 1 . 1 122 122 VAL HG23 H 1 0.877 0.016 . 2 . . 1623 . . 122 VAL HG23 . 51521 1 920 . 1 . 1 122 122 VAL C C 13 173.489 0.008 . 1 . . 663 . . 122 VAL C . 51521 1 921 . 1 . 1 122 122 VAL CA C 13 62.103 0.019 . 1 . . 664 . . 122 VAL CA . 51521 1 922 . 1 . 1 122 122 VAL CB C 13 35.141 0.022 . 1 . . 665 . . 122 VAL CB . 51521 1 923 . 1 . 1 122 122 VAL CG1 C 13 21.106 0.15 . 2 . . 1064 . . 122 VAL CG1 . 51521 1 924 . 1 . 1 122 122 VAL CG2 C 13 22.439 0.023 . 2 . . 1065 . . 122 VAL CG2 . 51521 1 925 . 1 . 1 122 122 VAL N N 15 122.928 0.001 . 1 . . 276 . . 122 VAL N . 51521 1 926 . 1 . 1 123 123 ASN H H 1 8.485 0.033 . 1 . . 340 . . 123 ASN H . 51521 1 927 . 1 . 1 123 123 ASN HA H 1 4.945 0.008 . 1 . . 1291 . . 123 ASN HA . 51521 1 928 . 1 . 1 123 123 ASN HB2 H 1 2.765 0.016 . 1 . . 1294 . . 123 ASN HB2 . 51521 1 929 . 1 . 1 123 123 ASN C C 13 173.930 . . 1 . . 735 . . 123 ASN C . 51521 1 930 . 1 . 1 123 123 ASN CA C 13 51.923 0.012 . 1 . . 730 . . 123 ASN CA . 51521 1 931 . 1 . 1 123 123 ASN CB C 13 40.573 0.003 . 1 . . 731 . . 123 ASN CB . 51521 1 932 . 1 . 1 123 123 ASN N N 15 124.871 0.0 . 1 . . 341 . . 123 ASN N . 51521 1 933 . 1 . 1 124 124 ASN H H 1 8.582 0.031 . 1 . . 1663 . . 124 ASN H . 51521 1 934 . 1 . 1 124 124 ASN HA H 1 4.182 0.0 . 1 . . 1289 . . 124 ASN HA . 51521 1 935 . 1 . 1 124 124 ASN HB2 H 1 2.729 0.0 . 1 . . 1288 . . 124 ASN HB2 . 51521 1 936 . 1 . 1 124 124 ASN C C 13 173.078 . . 1 . . 1725 . . 124 ASN C . 51521 1 937 . 1 . 1 124 124 ASN N N 15 116.234 0.0 . 1 . . 1664 . . 124 ASN N . 51521 1 938 . 1 . 1 125 125 GLU H H 1 8.673 0.039 . 1 . . 113 . . 125 GLU H . 51521 1 939 . 1 . 1 125 125 GLU HA H 1 4.432 0.004 . 1 . . 1286 . . 125 GLU HA . 51521 1 940 . 1 . 1 125 125 GLU HB2 H 1 2.023 0.0 . 1 . . 1287 . . 125 GLU HB2 . 51521 1 941 . 1 . 1 125 125 GLU CG C 13 36.901 . . 1 . . 1058 . . 125 GLU CG . 51521 1 942 . 1 . 1 125 125 GLU N N 15 115.250 0.025 . 1 . . 114 . . 125 GLU N . 51521 1 943 . 1 . 1 126 126 THR H H 1 8.146 0.025 . 1 . . 303 . . 126 THR H . 51521 1 944 . 1 . 1 126 126 THR HA H 1 5.065 0.007 . 1 . . 1285 . . 126 THR HA . 51521 1 945 . 1 . 1 126 126 THR HB H 1 3.876 0.009 . 1 . . 1284 . . 126 THR HB . 51521 1 946 . 1 . 1 126 126 THR C C 13 172.705 0.021 . 1 . . 700 . . 126 THR C . 51521 1 947 . 1 . 1 126 126 THR CA C 13 60.053 0.03 . 1 . . 701 . . 126 THR CA . 51521 1 948 . 1 . 1 126 126 THR CB C 13 73.091 0.014 . 1 . . 702 . . 126 THR CB . 51521 1 949 . 1 . 1 126 126 THR CG2 C 13 21.947 . . 1 . . 1057 . . 126 THR CG2 . 51521 1 950 . 1 . 1 126 126 THR N N 15 113.825 0.032 . 1 . . 304 . . 126 THR N . 51521 1 951 . 1 . 1 127 127 ILE H H 1 8.305 0.036 . 1 . . 81 . . 127 ILE H . 51521 1 952 . 1 . 1 127 127 ILE HA H 1 4.836 0.004 . 1 . . 1282 . . 127 ILE HA . 51521 1 953 . 1 . 1 127 127 ILE HB H 1 1.850 0.007 . 1 . . 1283 . . 127 ILE HB . 51521 1 954 . 1 . 1 127 127 ILE HG12 H 1 0.919 0.018 . 1 . . 1624 . . 127 ILE HG12 . 51521 1 955 . 1 . 1 127 127 ILE C C 13 173.964 0.044 . 1 . . 445 . . 127 ILE C . 51521 1 956 . 1 . 1 127 127 ILE CA C 13 59.383 0.03 . 1 . . 446 . . 127 ILE CA . 51521 1 957 . 1 . 1 127 127 ILE CB C 13 40.146 0.049 . 1 . . 447 . . 127 ILE CB . 51521 1 958 . 1 . 1 127 127 ILE CG2 C 13 17.804 0.037 . 1 . . 1056 . . 127 ILE CG2 . 51521 1 959 . 1 . 1 127 127 ILE N N 15 110.583 0.001 . 1 . . 82 . . 127 ILE N . 51521 1 960 . 1 . 1 128 128 VAL H H 1 8.104 0.024 . 1 . . 257 . . 128 VAL H . 51521 1 961 . 1 . 1 128 128 VAL HA H 1 4.947 0.013 . 1 . . 1281 . . 128 VAL HA . 51521 1 962 . 1 . 1 128 128 VAL HB H 1 1.590 0.008 . 1 . . 1280 . . 128 VAL HB . 51521 1 963 . 1 . 1 128 128 VAL HG11 H 1 0.877 0.008 . 2 . . 1625 . . 128 VAL HG11 . 51521 1 964 . 1 . 1 128 128 VAL HG12 H 1 0.877 0.008 . 2 . . 1625 . . 128 VAL HG12 . 51521 1 965 . 1 . 1 128 128 VAL HG13 H 1 0.877 0.008 . 2 . . 1625 . . 128 VAL HG13 . 51521 1 966 . 1 . 1 128 128 VAL HG21 H 1 0.612 0.01 . 2 . . 1626 . . 128 VAL HG21 . 51521 1 967 . 1 . 1 128 128 VAL HG22 H 1 0.612 0.01 . 2 . . 1626 . . 128 VAL HG22 . 51521 1 968 . 1 . 1 128 128 VAL HG23 H 1 0.612 0.01 . 2 . . 1626 . . 128 VAL HG23 . 51521 1 969 . 1 . 1 128 128 VAL C C 13 175.475 0.015 . 1 . . 643 . . 128 VAL C . 51521 1 970 . 1 . 1 128 128 VAL CA C 13 60.802 0.086 . 1 . . 644 . . 128 VAL CA . 51521 1 971 . 1 . 1 128 128 VAL CB C 13 34.177 0.051 . 1 . . 645 . . 128 VAL CB . 51521 1 972 . 1 . 1 128 128 VAL CG1 C 13 20.694 0.052 . 2 . . 1055 . . 128 VAL CG1 . 51521 1 973 . 1 . 1 128 128 VAL CG2 C 13 20.550 0.14 . 2 . . 1112 . . 128 VAL CG2 . 51521 1 974 . 1 . 1 128 128 VAL N N 15 121.023 0.059 . 1 . . 258 . . 128 VAL N . 51521 1 975 . 1 . 1 129 129 VAL H H 1 8.691 0.035 . 1 . . 130 . . 129 VAL H . 51521 1 976 . 1 . 1 129 129 VAL HA H 1 4.604 0.009 . 1 . . 1278 . . 129 VAL HA . 51521 1 977 . 1 . 1 129 129 VAL HB H 1 1.397 0.007 . 1 . . 1279 . . 129 VAL HB . 51521 1 978 . 1 . 1 129 129 VAL HG11 H 1 0.537 0.01 . 1 . . 1628 . . 129 VAL HG11 . 51521 1 979 . 1 . 1 129 129 VAL HG12 H 1 0.537 0.01 . 1 . . 1628 . . 129 VAL HG12 . 51521 1 980 . 1 . 1 129 129 VAL HG13 H 1 0.537 0.01 . 1 . . 1628 . . 129 VAL HG13 . 51521 1 981 . 1 . 1 129 129 VAL C C 13 173.164 0.008 . 1 . . 499 . . 129 VAL C . 51521 1 982 . 1 . 1 129 129 VAL CA C 13 59.552 0.02 . 1 . . 498 . . 129 VAL CA . 51521 1 983 . 1 . 1 129 129 VAL CB C 13 34.763 0.059 . 1 . . 497 . . 129 VAL CB . 51521 1 984 . 1 . 1 129 129 VAL CG1 C 13 21.506 0.086 . 1 . . 1627 . . 129 VAL CG1 . 51521 1 985 . 1 . 1 129 129 VAL N N 15 127.237 0.029 . 1 . . 131 . . 129 VAL N . 51521 1 986 . 1 . 1 130 130 GLN H H 1 9.280 0.023 . 1 . . 119 . . 130 GLN H . 51521 1 987 . 1 . 1 130 130 GLN HA H 1 5.035 0.002 . 1 . . 1277 . . 130 GLN HA . 51521 1 988 . 1 . 1 130 130 GLN HB2 H 1 1.840 0.004 . 2 . . 1539 . . 130 GLN HB2 . 51521 1 989 . 1 . 1 130 130 GLN HB3 H 1 1.900 0.002 . 2 . . 1540 . . 130 GLN HB3 . 51521 1 990 . 1 . 1 130 130 GLN HG2 H 1 1.977 0.001 . 2 . . 1630 . . 130 GLN HG2 . 51521 1 991 . 1 . 1 130 130 GLN HG3 H 1 2.029 0.0 . 2 . . 1631 . . 130 GLN HG3 . 51521 1 992 . 1 . 1 130 130 GLN C C 13 175.599 0.002 . 1 . . 481 . . 130 GLN C . 51521 1 993 . 1 . 1 130 130 GLN CA C 13 55.424 0.0 . 1 . . 482 . . 130 GLN CA . 51521 1 994 . 1 . 1 130 130 GLN CB C 13 32.060 0.141 . 1 . . 483 . . 130 GLN CB . 51521 1 995 . 1 . 1 130 130 GLN CG C 13 35.723 0.067 . 1 . . 1629 . . 130 GLN CG . 51521 1 996 . 1 . 1 130 130 GLN N N 15 128.511 0.0 . 1 . . 120 . . 130 GLN N . 51521 1 997 . 1 . 1 131 131 VAL H H 1 9.174 0.031 . 1 . . 317 . . 131 VAL H . 51521 1 998 . 1 . 1 131 131 VAL HA H 1 4.845 0.012 . 1 . . 1275 . . 131 VAL HA . 51521 1 999 . 1 . 1 131 131 VAL HB H 1 2.305 0.004 . 1 . . 1276 . . 131 VAL HB . 51521 1 1000 . 1 . 1 131 131 VAL C C 13 173.906 . . 1 . . 495 . . 131 VAL C . 51521 1 1001 . 1 . 1 131 131 VAL CA C 13 59.490 0.042 . 1 . . 493 . . 131 VAL CA . 51521 1 1002 . 1 . 1 131 131 VAL CB C 13 34.623 0.051 . 1 . . 492 . . 131 VAL CB . 51521 1 1003 . 1 . 1 131 131 VAL CG1 C 13 20.993 . . 2 . . 1052 . . 131 VAL CG1 . 51521 1 1004 . 1 . 1 131 131 VAL CG2 C 13 18.166 . . 2 . . 1053 . . 131 VAL CG2 . 51521 1 1005 . 1 . 1 131 131 VAL N N 15 126.131 0.0 . 1 . . 318 . . 131 VAL N . 51521 1 1006 . 1 . 1 132 132 LYS H H 1 8.450 0.027 . 1 . . 200 . . 132 LYS H . 51521 1 1007 . 1 . 1 132 132 LYS HA H 1 4.910 0.008 . 1 . . 1274 . . 132 LYS HA . 51521 1 1008 . 1 . 1 132 132 LYS HB2 H 1 1.665 0.01 . 1 . . 1273 . . 132 LYS HB2 . 51521 1 1009 . 1 . 1 132 132 LYS C C 13 176.289 0.005 . 1 . . 574 . . 132 LYS C . 51521 1 1010 . 1 . 1 132 132 LYS CA C 13 55.246 0.01 . 1 . . 575 . . 132 LYS CA . 51521 1 1011 . 1 . 1 132 132 LYS CB C 13 33.810 0.022 . 1 . . 576 . . 132 LYS CB . 51521 1 1012 . 1 . 1 132 132 LYS CG C 13 24.768 . . 1 . . 1050 . . 132 LYS CG . 51521 1 1013 . 1 . 1 132 132 LYS N N 15 121.240 0.0 . 1 . . 201 . . 132 LYS N . 51521 1 1014 . 1 . 1 133 133 ILE H H 1 8.638 0.027 . 1 . . 192 . . 133 ILE H . 51521 1 1015 . 1 . 1 133 133 ILE HA H 1 4.304 0.008 . 1 . . 1271 . . 133 ILE HA . 51521 1 1016 . 1 . 1 133 133 ILE HB H 1 1.665 0.011 . 1 . . 1272 . . 133 ILE HB . 51521 1 1017 . 1 . 1 133 133 ILE C C 13 175.734 . . 1 . . 564 . . 133 ILE C . 51521 1 1018 . 1 . 1 133 133 ILE CA C 13 60.498 0.02 . 1 . . 563 . . 133 ILE CA . 51521 1 1019 . 1 . 1 133 133 ILE CB C 13 39.980 0.026 . 1 . . 562 . . 133 ILE CB . 51521 1 1020 . 1 . 1 133 133 ILE N N 15 125.673 0.002 . 1 . . 193 . . 133 ILE N . 51521 1 1021 . 1 . 1 134 134 LYS H H 1 9.254 0.038 . 1 . . 966 . . 134 LYS H . 51521 1 1022 . 1 . 1 134 134 LYS HA H 1 3.725 0.01 . 1 . . 1269 . . 134 LYS HA . 51521 1 1023 . 1 . 1 134 134 LYS HB2 H 1 1.940 0.0 . 1 . . 1270 . . 134 LYS HB2 . 51521 1 1024 . 1 . 1 134 134 LYS C C 13 175.670 0.034 . 1 . . 969 . . 134 LYS C . 51521 1 1025 . 1 . 1 134 134 LYS CA C 13 58.422 0.03 . 1 . . 968 . . 134 LYS CA . 51521 1 1026 . 1 . 1 134 134 LYS N N 15 127.313 0.003 . 1 . . 967 . . 134 LYS N . 51521 1 1027 . 1 . 1 135 135 ALA H H 1 8.240 0.023 . 1 . . 947 . . 135 ALA H . 51521 1 1028 . 1 . 1 135 135 ALA HA H 1 4.153 0.009 . 1 . . 1268 . . 135 ALA HA . 51521 1 1029 . 1 . 1 135 135 ALA HB1 H 1 1.444 0.012 . 1 . . 1267 . . 135 ALA HB1 . 51521 1 1030 . 1 . 1 135 135 ALA HB2 H 1 1.444 0.012 . 1 . . 1267 . . 135 ALA HB2 . 51521 1 1031 . 1 . 1 135 135 ALA HB3 H 1 1.444 0.012 . 1 . . 1267 . . 135 ALA HB3 . 51521 1 1032 . 1 . 1 135 135 ALA C C 13 176.698 0.008 . 1 . . 956 . . 135 ALA C . 51521 1 1033 . 1 . 1 135 135 ALA CA C 13 53.154 0.037 . 1 . . 950 . . 135 ALA CA . 51521 1 1034 . 1 . 1 135 135 ALA CB C 13 18.573 0.077 . 1 . . 949 . . 135 ALA CB . 51521 1 1035 . 1 . 1 135 135 ALA N N 15 119.841 0.002 . 1 . . 948 . . 135 ALA N . 51521 1 1036 . 1 . 1 136 136 ARG H H 1 7.941 0.026 . 1 . . 47 . . 136 ARG H . 51521 1 1037 . 1 . 1 136 136 ARG HA H 1 4.678 0.005 . 1 . . 1265 . . 136 ARG HA . 51521 1 1038 . 1 . 1 136 136 ARG HB2 H 1 1.873 0.002 . 2 . . 1537 . . 136 ARG HB2 . 51521 1 1039 . 1 . 1 136 136 ARG HB3 H 1 1.822 0.001 . 2 . . 1538 . . 136 ARG HB3 . 51521 1 1040 . 1 . 1 136 136 ARG HG2 H 1 1.601 0.004 . 2 . . 1632 . . 136 ARG HG2 . 51521 1 1041 . 1 . 1 136 136 ARG HG3 H 1 1.645 0.001 . 2 . . 1633 . . 136 ARG HG3 . 51521 1 1042 . 1 . 1 136 136 ARG C C 13 175.258 . . 1 . . 409 . . 136 ARG C . 51521 1 1043 . 1 . 1 136 136 ARG CA C 13 54.683 0.007 . 1 . . 407 . . 136 ARG CA . 51521 1 1044 . 1 . 1 136 136 ARG CB C 13 32.591 0.016 . 1 . . 408 . . 136 ARG CB . 51521 1 1045 . 1 . 1 136 136 ARG CG C 13 26.990 0.084 . 1 . . 1049 . . 136 ARG CG . 51521 1 1046 . 1 . 1 136 136 ARG CD C 13 43.287 . . 1 . . 1048 . . 136 ARG CD . 51521 1 1047 . 1 . 1 136 136 ARG N N 15 120.533 0.001 . 1 . . 48 . . 136 ARG N . 51521 1 1048 . 1 . 1 137 137 THR H H 1 8.198 0.03 . 1 . . 255 . . 137 THR H . 51521 1 1049 . 1 . 1 137 137 THR HA H 1 5.084 0.006 . 1 . . 1263 . . 137 THR HA . 51521 1 1050 . 1 . 1 137 137 THR HB H 1 3.853 0.005 . 1 . . 1262 . . 137 THR HB . 51521 1 1051 . 1 . 1 137 137 THR C C 13 174.413 0.029 . 1 . . 642 . . 137 THR C . 51521 1 1052 . 1 . 1 137 137 THR CA C 13 61.330 0.038 . 1 . . 641 . . 137 THR CA . 51521 1 1053 . 1 . 1 137 137 THR CB C 13 70.745 0.161 . 1 . . 640 . . 137 THR CB . 51521 1 1054 . 1 . 1 137 137 THR CG2 C 13 21.877 . . 1 . . 1047 . . 137 THR CG2 . 51521 1 1055 . 1 . 1 137 137 THR N N 15 116.330 0.0 . 1 . . 256 . . 137 THR N . 51521 1 1056 . 1 . 1 138 138 LYS H H 1 8.923 0.026 . 1 . . 249 . . 138 LYS H . 51521 1 1057 . 1 . 1 138 138 LYS HA H 1 4.401 0.005 . 1 . . 1260 . . 138 LYS HA . 51521 1 1058 . 1 . 1 138 138 LYS HB2 H 1 1.442 0.01 . 1 . . 1261 . . 138 LYS HB2 . 51521 1 1059 . 1 . 1 138 138 LYS HG2 H 1 0.986 0.014 . 1 . . 1635 . . 138 LYS HG2 . 51521 1 1060 . 1 . 1 138 138 LYS C C 13 173.217 . . 1 . . 636 . . 138 LYS C . 51521 1 1061 . 1 . 1 138 138 LYS CA C 13 55.437 0.052 . 1 . . 635 . . 138 LYS CA . 51521 1 1062 . 1 . 1 138 138 LYS CB C 13 36.562 0.058 . 1 . . 634 . . 138 LYS CB . 51521 1 1063 . 1 . 1 138 138 LYS CG C 13 24.255 0.077 . 1 . . 1043 . . 138 LYS CG . 51521 1 1064 . 1 . 1 138 138 LYS CD C 13 29.453 . . 1 . . 1045 . . 138 LYS CD . 51521 1 1065 . 1 . 1 138 138 LYS N N 15 125.408 0.001 . 1 . . 250 . . 138 LYS N . 51521 1 1066 . 1 . 1 139 139 ASP H H 1 8.279 0.024 . 1 . . 117 . . 139 ASP H . 51521 1 1067 . 1 . 1 139 139 ASP HA H 1 4.986 0.012 . 1 . . 1257 . . 139 ASP HA . 51521 1 1068 . 1 . 1 139 139 ASP HB2 H 1 2.011 0.007 . 2 . . 1258 . . 139 ASP HB2 . 51521 1 1069 . 1 . 1 139 139 ASP HB3 H 1 2.359 0.008 . 2 . . 1259 . . 139 ASP HB3 . 51521 1 1070 . 1 . 1 139 139 ASP C C 13 175.815 0.025 . 1 . . 480 . . 139 ASP C . 51521 1 1071 . 1 . 1 139 139 ASP CA C 13 53.262 0.128 . 1 . . 477 . . 139 ASP CA . 51521 1 1072 . 1 . 1 139 139 ASP CB C 13 40.566 0.008 . 1 . . 478 . . 139 ASP CB . 51521 1 1073 . 1 . 1 139 139 ASP N N 15 125.899 0.0 . 1 . . 118 . . 139 ASP N . 51521 1 1074 . 1 . 1 140 140 ILE H H 1 8.845 0.024 . 1 . . 237 . . 140 ILE H . 51521 1 1075 . 1 . 1 140 140 ILE HA H 1 4.166 0.007 . 1 . . 1256 . . 140 ILE HA . 51521 1 1076 . 1 . 1 140 140 ILE HB H 1 1.307 0.008 . 1 . . 1255 . . 140 ILE HB . 51521 1 1077 . 1 . 1 140 140 ILE HG12 H 1 0.544 0.013 . 2 . . 1636 . . 140 ILE HG12 . 51521 1 1078 . 1 . 1 140 140 ILE HG13 H 1 0.148 0.01 . 2 . . 1645 . . 140 ILE HG13 . 51521 1 1079 . 1 . 1 140 140 ILE C C 13 173.662 . . 1 . . 617 . . 140 ILE C . 51521 1 1080 . 1 . 1 140 140 ILE CA C 13 59.342 0.012 . 1 . . 618 . . 140 ILE CA . 51521 1 1081 . 1 . 1 140 140 ILE CB C 13 39.187 0.171 . 1 . . 619 . . 140 ILE CB . 51521 1 1082 . 1 . 1 140 140 ILE CG1 C 13 16.720 0.171 . 1 . . 1046 . . 140 ILE CG1 . 51521 1 1083 . 1 . 1 140 140 ILE CG2 C 13 16.927 0.008 . 1 . . 1646 . . 140 ILE CG2 . 51521 1 1084 . 1 . 1 140 140 ILE N N 15 122.832 0.001 . 1 . . 238 . . 140 ILE N . 51521 1 1085 . 1 . 1 141 141 GLU H H 1 8.245 0.022 . 1 . . 313 . . 141 GLU H . 51521 1 1086 . 1 . 1 141 141 GLU HA H 1 4.704 0.002 . 1 . . 1254 . . 141 GLU HA . 51521 1 1087 . 1 . 1 141 141 GLU HB2 H 1 1.756 0.023 . 1 . . 1253 . . 141 GLU HB2 . 51521 1 1088 . 1 . 1 141 141 GLU C C 13 175.045 . . 1 . . 711 . . 141 GLU C . 51521 1 1089 . 1 . 1 141 141 GLU CA C 13 55.076 0.075 . 1 . . 709 . . 141 GLU CA . 51521 1 1090 . 1 . 1 141 141 GLU CB C 13 30.956 0.146 . 1 . . 710 . . 141 GLU CB . 51521 1 1091 . 1 . 1 141 141 GLU N N 15 126.822 0.001 . 1 . . 314 . . 141 GLU N . 51521 1 1092 . 1 . 1 142 142 ILE H H 1 9.028 0.027 . 1 . . 124 . . 142 ILE H . 51521 1 1093 . 1 . 1 142 142 ILE HA H 1 4.434 0.007 . 1 . . 1252 . . 142 ILE HA . 51521 1 1094 . 1 . 1 142 142 ILE HB H 1 1.562 0.006 . 1 . . 1536 . . 142 ILE HB . 51521 1 1095 . 1 . 1 142 142 ILE C C 13 173.533 . . 1 . . 487 . . 142 ILE C . 51521 1 1096 . 1 . 1 142 142 ILE CA C 13 57.561 0.026 . 1 . . 488 . . 142 ILE CA . 51521 1 1097 . 1 . 1 142 142 ILE CB C 13 41.657 0.026 . 1 . . 489 . . 142 ILE CB . 51521 1 1098 . 1 . 1 142 142 ILE CG1 C 13 36.899 . . 1 . . 1041 . . 142 ILE CG1 . 51521 1 1099 . 1 . 1 142 142 ILE N N 15 127.078 0.001 . 1 . . 125 . . 142 ILE N . 51521 1 1100 . 1 . 1 144 144 ARG H H 1 8.713 0.028 . 1 . . 315 . . 144 ARG H . 51521 1 1101 . 1 . 1 144 144 ARG HA H 1 3.648 0.011 . 1 . . 1250 . . 144 ARG HA . 51521 1 1102 . 1 . 1 144 144 ARG HB2 H 1 1.937 0.007 . 2 . . 1249 . . 144 ARG HB2 . 51521 1 1103 . 1 . 1 144 144 ARG HB3 H 1 1.992 0.013 . 2 . . 1637 . . 144 ARG HB3 . 51521 1 1104 . 1 . 1 144 144 ARG C C 13 178.197 0.037 . 1 . . 712 . . 144 ARG C . 51521 1 1105 . 1 . 1 144 144 ARG CA C 13 59.469 0.01 . 1 . . 714 . . 144 ARG CA . 51521 1 1106 . 1 . 1 144 144 ARG CB C 13 29.921 0.05 . 1 . . 713 . . 144 ARG CB . 51521 1 1107 . 1 . 1 144 144 ARG N N 15 125.675 0.0 . 1 . . 316 . . 144 ARG N . 51521 1 1108 . 1 . 1 145 145 ASP H H 1 8.648 0.02 . 1 . . 241 . . 145 ASP H . 51521 1 1109 . 1 . 1 145 145 ASP HA H 1 4.422 0.003 . 1 . . 1247 . . 145 ASP HA . 51521 1 1110 . 1 . 1 145 145 ASP HB2 H 1 2.835 0.009 . 2 . . 1245 . . 145 ASP HB2 . 51521 1 1111 . 1 . 1 145 145 ASP HB3 H 1 2.592 0.006 . 2 . . 1246 . . 145 ASP HB3 . 51521 1 1112 . 1 . 1 145 145 ASP C C 13 177.121 0.045 . 1 . . 622 . . 145 ASP C . 51521 1 1113 . 1 . 1 145 145 ASP CA C 13 55.000 0.071 . 1 . . 621 . . 145 ASP CA . 51521 1 1114 . 1 . 1 145 145 ASP CB C 13 39.307 0.038 . 1 . . 620 . . 145 ASP CB . 51521 1 1115 . 1 . 1 145 145 ASP N N 15 117.429 0.053 . 1 . . 242 . . 145 ASP N . 51521 1 1116 . 1 . 1 146 146 LYS H H 1 7.624 0.028 . 1 . . 13 . . 146 LYS H . 51521 1 1117 . 1 . 1 146 146 LYS HA H 1 4.685 0.004 . 1 . . 1243 . . 146 LYS HA . 51521 1 1118 . 1 . 1 146 146 LYS HB2 H 1 1.865 0.003 . 1 . . 1242 . . 146 LYS HB2 . 51521 1 1119 . 1 . 1 146 146 LYS C C 13 175.327 0.022 . 1 . . 366 . . 146 LYS C . 51521 1 1120 . 1 . 1 146 146 LYS CA C 13 54.428 0.0 . 1 . . 364 . . 146 LYS CA . 51521 1 1121 . 1 . 1 146 146 LYS CB C 13 32.359 0.002 . 1 . . 365 . . 146 LYS CB . 51521 1 1122 . 1 . 1 146 146 LYS N N 15 116.771 0.004 . 1 . . 14 . . 146 LYS N . 51521 1 1123 . 1 . 1 147 147 ILE H H 1 7.275 0.032 . 1 . . 299 . . 147 ILE H . 51521 1 1124 . 1 . 1 147 147 ILE HA H 1 3.708 0.01 . 1 . . 1240 . . 147 ILE HA . 51521 1 1125 . 1 . 1 147 147 ILE HB H 1 1.938 0.009 . 1 . . 1244 . . 147 ILE HB . 51521 1 1126 . 1 . 1 147 147 ILE HG12 H 1 0.746 0.014 . 1 . . 1638 . . 147 ILE HG12 . 51521 1 1127 . 1 . 1 147 147 ILE C C 13 174.293 0.026 . 1 . . 693 . . 147 ILE C . 51521 1 1128 . 1 . 1 147 147 ILE CA C 13 63.085 0.009 . 1 . . 694 . . 147 ILE CA . 51521 1 1129 . 1 . 1 147 147 ILE CB C 13 38.635 0.034 . 1 . . 695 . . 147 ILE CB . 51521 1 1130 . 1 . 1 147 147 ILE CG2 C 13 17.036 0.049 . 1 . . 1639 . . 147 ILE CG2 . 51521 1 1131 . 1 . 1 147 147 ILE N N 15 120.794 0.002 . 1 . . 300 . . 147 ILE N . 51521 1 1132 . 1 . 1 148 148 ALA H H 1 9.010 0.025 . 1 . . 253 . . 148 ALA H . 51521 1 1133 . 1 . 1 148 148 ALA HA H 1 3.917 0.01 . 1 . . 1239 . . 148 ALA HA . 51521 1 1134 . 1 . 1 148 148 ALA HB1 H 1 0.413 0.011 . 1 . . 1238 . . 148 ALA HB1 . 51521 1 1135 . 1 . 1 148 148 ALA HB2 H 1 0.413 0.011 . 1 . . 1238 . . 148 ALA HB2 . 51521 1 1136 . 1 . 1 148 148 ALA HB3 H 1 0.413 0.011 . 1 . . 1238 . . 148 ALA HB3 . 51521 1 1137 . 1 . 1 148 148 ALA C C 13 178.031 0.019 . 1 . . 639 . . 148 ALA C . 51521 1 1138 . 1 . 1 148 148 ALA CA C 13 53.731 0.012 . 1 . . 637 . . 148 ALA CA . 51521 1 1139 . 1 . 1 148 148 ALA CB C 13 18.369 0.104 . 1 . . 638 . . 148 ALA CB . 51521 1 1140 . 1 . 1 148 148 ALA N N 15 133.987 0.097 . 1 . . 254 . . 148 ALA N . 51521 1 1141 . 1 . 1 149 149 LYS H H 1 7.664 0.03 . 1 . . 245 . . 149 LYS H . 51521 1 1142 . 1 . 1 149 149 LYS HA H 1 4.391 0.01 . 1 . . 1236 . . 149 LYS HA . 51521 1 1143 . 1 . 1 149 149 LYS HB2 H 1 1.727 0.019 . 2 . . 1237 . . 149 LYS HB2 . 51521 1 1144 . 1 . 1 149 149 LYS HB3 H 1 1.793 0.016 . 2 . . 1535 . . 149 LYS HB3 . 51521 1 1145 . 1 . 1 149 149 LYS C C 13 173.632 . . 1 . . 632 . . 149 LYS C . 51521 1 1146 . 1 . 1 149 149 LYS CA C 13 55.989 0.056 . 1 . . 970 . . 149 LYS CA . 51521 1 1147 . 1 . 1 149 149 LYS CB C 13 36.115 0.02 . 1 . . 629 . . 149 LYS CB . 51521 1 1148 . 1 . 1 149 149 LYS N N 15 116.261 0.005 . 1 . . 246 . . 149 LYS N . 51521 1 1149 . 1 . 1 150 150 ALA H H 1 8.695 0.036 . 1 . . 175 . . 150 ALA H . 51521 1 1150 . 1 . 1 150 150 ALA HA H 1 5.424 0.005 . 1 . . 1234 . . 150 ALA HA . 51521 1 1151 . 1 . 1 150 150 ALA HB1 H 1 1.217 0.016 . 1 . . 1235 . . 150 ALA HB1 . 51521 1 1152 . 1 . 1 150 150 ALA HB2 H 1 1.217 0.016 . 1 . . 1235 . . 150 ALA HB2 . 51521 1 1153 . 1 . 1 150 150 ALA HB3 H 1 1.217 0.016 . 1 . . 1235 . . 150 ALA HB3 . 51521 1 1154 . 1 . 1 150 150 ALA C C 13 175.829 0.032 . 1 . . 537 . . 150 ALA C . 51521 1 1155 . 1 . 1 150 150 ALA CA C 13 50.417 0.004 . 1 . . 535 . . 150 ALA CA . 51521 1 1156 . 1 . 1 150 150 ALA CB C 13 22.271 0.072 . 1 . . 534 . . 150 ALA CB . 51521 1 1157 . 1 . 1 150 150 ALA N N 15 125.052 0.001 . 1 . . 176 . . 150 ALA N . 51521 1 1158 . 1 . 1 151 151 ARG H H 1 8.828 0.02 . 1 . . 59 . . 151 ARG H . 51521 1 1159 . 1 . 1 151 151 ARG HA H 1 4.836 0.003 . 1 . . 1233 . . 151 ARG HA . 51521 1 1160 . 1 . 1 151 151 ARG HB2 H 1 1.857 0.026 . 1 . . 1232 . . 151 ARG HB2 . 51521 1 1161 . 1 . 1 151 151 ARG HG2 H 1 1.557 0.003 . 1 . . 1640 . . 151 ARG HG2 . 51521 1 1162 . 1 . 1 151 151 ARG C C 13 174.985 . . 1 . . 421 . . 151 ARG C . 51521 1 1163 . 1 . 1 151 151 ARG CA C 13 54.672 0.004 . 1 . . 422 . . 151 ARG CA . 51521 1 1164 . 1 . 1 151 151 ARG CB C 13 33.261 0.079 . 1 . . 423 . . 151 ARG CB . 51521 1 1165 . 1 . 1 151 151 ARG CG C 13 27.149 0.043 . 1 . . 1641 . . 151 ARG CG . 51521 1 1166 . 1 . 1 151 151 ARG N N 15 117.720 0.0 . 1 . . 60 . . 151 ARG N . 51521 1 1167 . 1 . 1 152 152 HIS H H 1 8.388 0.027 . 1 . . 171 . . 152 HIS H . 51521 1 1168 . 1 . 1 152 152 HIS HA H 1 4.281 0.009 . 1 . . 1231 . . 152 HIS HA . 51521 1 1169 . 1 . 1 152 152 HIS HB2 H 1 3.251 0.003 . 2 . . 1727 . . 152 HIS HB2 . 51521 1 1170 . 1 . 1 152 152 HIS HB3 H 1 2.926 0.008 . 2 . . 1729 . . 152 HIS HB3 . 51521 1 1171 . 1 . 1 152 152 HIS C C 13 174.372 0.029 . 1 . . 528 . . 152 HIS C . 51521 1 1172 . 1 . 1 152 152 HIS CA C 13 59.051 0.035 . 1 . . 529 . . 152 HIS CA . 51521 1 1173 . 1 . 1 152 152 HIS CB C 13 31.844 0.005 . 1 . . 1726 . . 152 HIS CB . 51521 1 1174 . 1 . 1 152 152 HIS N N 15 121.158 0.117 . 1 . . 172 . . 152 HIS N . 51521 1 1175 . 1 . 1 153 153 ALA H H 1 7.705 0.024 . 1 . . 140 . . 153 ALA H . 51521 1 1176 . 1 . 1 153 153 ALA HA H 1 4.639 0.015 . 1 . . 1228 . . 153 ALA HA . 51521 1 1177 . 1 . 1 153 153 ALA HB1 H 1 1.090 0.01 . 1 . . 1230 . . 153 ALA HB1 . 51521 1 1178 . 1 . 1 153 153 ALA HB2 H 1 1.090 0.01 . 1 . . 1230 . . 153 ALA HB2 . 51521 1 1179 . 1 . 1 153 153 ALA HB3 H 1 1.090 0.01 . 1 . . 1230 . . 153 ALA HB3 . 51521 1 1180 . 1 . 1 153 153 ALA C C 13 175.274 0.028 . 1 . . 972 . . 153 ALA C . 51521 1 1181 . 1 . 1 153 153 ALA CA C 13 50.153 0.008 . 1 . . 505 . . 153 ALA CA . 51521 1 1182 . 1 . 1 153 153 ALA CB C 13 23.368 0.046 . 1 . . 506 . . 153 ALA CB . 51521 1 1183 . 1 . 1 153 153 ALA N N 15 122.910 0.0 . 1 . . 141 . . 153 ALA N . 51521 1 1184 . 1 . 1 154 154 VAL H H 1 8.135 0.037 . 1 . . 23 . . 154 VAL H . 51521 1 1185 . 1 . 1 154 154 VAL HA H 1 4.097 0.007 . 1 . . 1226 . . 154 VAL HA . 51521 1 1186 . 1 . 1 154 154 VAL HB H 1 1.881 0.009 . 1 . . 1227 . . 154 VAL HB . 51521 1 1187 . 1 . 1 154 154 VAL HG11 H 1 0.815 0.008 . 1 . . 1642 . . 154 VAL HG11 . 51521 1 1188 . 1 . 1 154 154 VAL HG12 H 1 0.815 0.008 . 1 . . 1642 . . 154 VAL HG12 . 51521 1 1189 . 1 . 1 154 154 VAL HG13 H 1 0.815 0.008 . 1 . . 1642 . . 154 VAL HG13 . 51521 1 1190 . 1 . 1 154 154 VAL C C 13 175.635 0.002 . 1 . . 377 . . 154 VAL C . 51521 1 1191 . 1 . 1 154 154 VAL CA C 13 61.747 0.033 . 1 . . 379 . . 154 VAL CA . 51521 1 1192 . 1 . 1 154 154 VAL CB C 13 33.388 0.164 . 1 . . 378 . . 154 VAL CB . 51521 1 1193 . 1 . 1 154 154 VAL CG1 C 13 20.734 0.027 . 1 . . 1643 . . 154 VAL CG1 . 51521 1 1194 . 1 . 1 154 154 VAL N N 15 118.448 0.001 . 1 . . 24 . . 154 VAL N . 51521 1 1195 . 1 . 1 155 155 MET H H 1 8.342 0.025 . 1 . . 136 . . 155 MET H . 51521 1 1196 . 1 . 1 155 155 MET HA H 1 4.494 0.008 . 1 . . 1224 . . 155 MET HA . 51521 1 1197 . 1 . 1 155 155 MET HB2 H 1 2.065 0.009 . 2 . . 1222 . . 155 MET HB2 . 51521 1 1198 . 1 . 1 155 155 MET HB3 H 1 1.811 0.019 . 2 . . 1223 . . 155 MET HB3 . 51521 1 1199 . 1 . 1 155 155 MET C C 13 174.497 . . 1 . . 502 . . 155 MET C . 51521 1 1200 . 1 . 1 155 155 MET CA C 13 55.137 0.026 . 1 . . 504 . . 155 MET CA . 51521 1 1201 . 1 . 1 155 155 MET CB C 13 33.640 0.074 . 1 . . 503 . . 155 MET CB . 51521 1 1202 . 1 . 1 155 155 MET CG C 13 31.947 . . 1 . . 1221 . . 155 MET CG . 51521 1 1203 . 1 . 1 155 155 MET N N 15 124.358 0.001 . 1 . . 137 . . 155 MET N . 51521 1 1204 . 1 . 1 156 156 ILE H H 1 7.549 0.022 . 1 . . 121 . . 156 ILE H . 51521 1 1205 . 1 . 1 156 156 ILE HA H 1 4.045 0.008 . 1 . . 1229 . . 156 ILE HA . 51521 1 1206 . 1 . 1 156 156 ILE C C 13 180.839 . . 1 . . 486 . . 156 ILE C . 51521 1 1207 . 1 . 1 156 156 ILE CA C 13 62.799 0.035 . 1 . . 485 . . 156 ILE CA . 51521 1 1208 . 1 . 1 156 156 ILE CB C 13 39.697 . . 1 . . 484 . . 156 ILE CB . 51521 1 1209 . 1 . 1 156 156 ILE N N 15 127.260 0.01 . 1 . . 122 . . 156 ILE N . 51521 1 stop_ save_