data_30325 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30325 _Entry.Title ; NMR solution structure of KanY protein (ms6282) using two 4D-spectra ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-03 _Entry.Accession_date 2017-08-03 _Entry.Last_release_date 2017-08-30 _Entry.Original_release_date 2017-08-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.10 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 T. Evangelidis T. . . . 30325 2 S. Nerli S. . . . 30325 3 N. Sgourakis N. G. . . 30325 4 K. Tripsianes K. . . . 30325 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'UNKNOWN FUNCTION' . 30325 'predicted polyketide cyclase/dehydratase' . 30325 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30325 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 30325 '15N chemical shifts' 152 30325 '1H chemical shifts' 959 30325 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 1 . . 2018-01-29 . original BMRB . 30325 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5WOX 'BMRB Entry Tracking System' 30325 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30325 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29374165 _Citation.Full_citation . _Citation.Title ; Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 384 _Citation.Page_last 384 _Citation.Year 2018 _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 T. Evangelidis T. . . . 30325 1 2 S. Nerli S. . . . 30325 1 3 J. Novacek J. . . . 30325 1 4 A. Brereton A. E. . . 30325 1 5 P. Karplus P. A. . . 30325 1 6 R. Dotas R. R. . . 30325 1 7 V. Venditti V. . . . 30325 1 8 N. Sgourakis N. G. . . 30325 1 9 K. Tripsianes K. . . . 30325 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30325 _Assembly.ID 1 _Assembly.Name 'Uncharacterized protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30325 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30325 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Uncharacterized protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGQVSAVSTVLINAEPAAVL AAISDYQTVRPKILSSHYSG YQVLEGGQGAGTVATWKLQA TKSRVRDVKATVDVAGHTVI EKDANSSLVSNWTVAPAGTG SSVNLKTTWTGAGGVKGFFE KTFAPLGLRRIQDEVLENLK KHVEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15285.261 _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 . 30325 1 2 . GLY . 30325 1 3 . GLN . 30325 1 4 . VAL . 30325 1 5 . SER . 30325 1 6 . ALA . 30325 1 7 . VAL . 30325 1 8 . SER . 30325 1 9 . THR . 30325 1 10 . VAL . 30325 1 11 . LEU . 30325 1 12 . ILE . 30325 1 13 . ASN . 30325 1 14 . ALA . 30325 1 15 . GLU . 30325 1 16 . PRO . 30325 1 17 . ALA . 30325 1 18 . ALA . 30325 1 19 . VAL . 30325 1 20 . LEU . 30325 1 21 . ALA . 30325 1 22 . ALA . 30325 1 23 . ILE . 30325 1 24 . SER . 30325 1 25 . ASP . 30325 1 26 . TYR . 30325 1 27 . GLN . 30325 1 28 . THR . 30325 1 29 . VAL . 30325 1 30 . ARG . 30325 1 31 . PRO . 30325 1 32 . LYS . 30325 1 33 . ILE . 30325 1 34 . LEU . 30325 1 35 . SER . 30325 1 36 . SER . 30325 1 37 . HIS . 30325 1 38 . TYR . 30325 1 39 . SER . 30325 1 40 . GLY . 30325 1 41 . TYR . 30325 1 42 . GLN . 30325 1 43 . VAL . 30325 1 44 . LEU . 30325 1 45 . GLU . 30325 1 46 . GLY . 30325 1 47 . GLY . 30325 1 48 . GLN . 30325 1 49 . GLY . 30325 1 50 . ALA . 30325 1 51 . GLY . 30325 1 52 . THR . 30325 1 53 . VAL . 30325 1 54 . ALA . 30325 1 55 . THR . 30325 1 56 . TRP . 30325 1 57 . LYS . 30325 1 58 . LEU . 30325 1 59 . GLN . 30325 1 60 . ALA . 30325 1 61 . THR . 30325 1 62 . LYS . 30325 1 63 . SER . 30325 1 64 . ARG . 30325 1 65 . VAL . 30325 1 66 . ARG . 30325 1 67 . ASP . 30325 1 68 . VAL . 30325 1 69 . LYS . 30325 1 70 . ALA . 30325 1 71 . THR . 30325 1 72 . VAL . 30325 1 73 . ASP . 30325 1 74 . VAL . 30325 1 75 . ALA . 30325 1 76 . GLY . 30325 1 77 . HIS . 30325 1 78 . THR . 30325 1 79 . VAL . 30325 1 80 . ILE . 30325 1 81 . GLU . 30325 1 82 . LYS . 30325 1 83 . ASP . 30325 1 84 . ALA . 30325 1 85 . ASN . 30325 1 86 . SER . 30325 1 87 . SER . 30325 1 88 . LEU . 30325 1 89 . VAL . 30325 1 90 . SER . 30325 1 91 . ASN . 30325 1 92 . TRP . 30325 1 93 . THR . 30325 1 94 . VAL . 30325 1 95 . ALA . 30325 1 96 . PRO . 30325 1 97 . ALA . 30325 1 98 . GLY . 30325 1 99 . THR . 30325 1 100 . GLY . 30325 1 101 . SER . 30325 1 102 . SER . 30325 1 103 . VAL . 30325 1 104 . ASN . 30325 1 105 . LEU . 30325 1 106 . LYS . 30325 1 107 . THR . 30325 1 108 . THR . 30325 1 109 . TRP . 30325 1 110 . THR . 30325 1 111 . GLY . 30325 1 112 . ALA . 30325 1 113 . GLY . 30325 1 114 . GLY . 30325 1 115 . VAL . 30325 1 116 . LYS . 30325 1 117 . GLY . 30325 1 118 . PHE . 30325 1 119 . PHE . 30325 1 120 . GLU . 30325 1 121 . LYS . 30325 1 122 . THR . 30325 1 123 . PHE . 30325 1 124 . ALA . 30325 1 125 . PRO . 30325 1 126 . LEU . 30325 1 127 . GLY . 30325 1 128 . LEU . 30325 1 129 . ARG . 30325 1 130 . ARG . 30325 1 131 . ILE . 30325 1 132 . GLN . 30325 1 133 . ASP . 30325 1 134 . GLU . 30325 1 135 . VAL . 30325 1 136 . LEU . 30325 1 137 . GLU . 30325 1 138 . ASN . 30325 1 139 . LEU . 30325 1 140 . LYS . 30325 1 141 . LYS . 30325 1 142 . HIS . 30325 1 143 . VAL . 30325 1 144 . GLU . 30325 1 145 . GLY . 30325 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 30325 1 . GLY 2 2 30325 1 . GLN 3 3 30325 1 . VAL 4 4 30325 1 . SER 5 5 30325 1 . ALA 6 6 30325 1 . VAL 7 7 30325 1 . SER 8 8 30325 1 . THR 9 9 30325 1 . VAL 10 10 30325 1 . LEU 11 11 30325 1 . ILE 12 12 30325 1 . ASN 13 13 30325 1 . ALA 14 14 30325 1 . GLU 15 15 30325 1 . PRO 16 16 30325 1 . ALA 17 17 30325 1 . ALA 18 18 30325 1 . VAL 19 19 30325 1 . LEU 20 20 30325 1 . ALA 21 21 30325 1 . ALA 22 22 30325 1 . ILE 23 23 30325 1 . SER 24 24 30325 1 . ASP 25 25 30325 1 . TYR 26 26 30325 1 . GLN 27 27 30325 1 . THR 28 28 30325 1 . VAL 29 29 30325 1 . ARG 30 30 30325 1 . PRO 31 31 30325 1 . LYS 32 32 30325 1 . ILE 33 33 30325 1 . LEU 34 34 30325 1 . SER 35 35 30325 1 . SER 36 36 30325 1 . HIS 37 37 30325 1 . TYR 38 38 30325 1 . SER 39 39 30325 1 . GLY 40 40 30325 1 . TYR 41 41 30325 1 . GLN 42 42 30325 1 . VAL 43 43 30325 1 . LEU 44 44 30325 1 . GLU 45 45 30325 1 . GLY 46 46 30325 1 . GLY 47 47 30325 1 . GLN 48 48 30325 1 . GLY 49 49 30325 1 . ALA 50 50 30325 1 . GLY 51 51 30325 1 . THR 52 52 30325 1 . VAL 53 53 30325 1 . ALA 54 54 30325 1 . THR 55 55 30325 1 . TRP 56 56 30325 1 . LYS 57 57 30325 1 . LEU 58 58 30325 1 . GLN 59 59 30325 1 . ALA 60 60 30325 1 . THR 61 61 30325 1 . LYS 62 62 30325 1 . SER 63 63 30325 1 . ARG 64 64 30325 1 . VAL 65 65 30325 1 . ARG 66 66 30325 1 . ASP 67 67 30325 1 . VAL 68 68 30325 1 . LYS 69 69 30325 1 . ALA 70 70 30325 1 . THR 71 71 30325 1 . VAL 72 72 30325 1 . ASP 73 73 30325 1 . VAL 74 74 30325 1 . ALA 75 75 30325 1 . GLY 76 76 30325 1 . HIS 77 77 30325 1 . THR 78 78 30325 1 . VAL 79 79 30325 1 . ILE 80 80 30325 1 . GLU 81 81 30325 1 . LYS 82 82 30325 1 . ASP 83 83 30325 1 . ALA 84 84 30325 1 . ASN 85 85 30325 1 . SER 86 86 30325 1 . SER 87 87 30325 1 . LEU 88 88 30325 1 . VAL 89 89 30325 1 . SER 90 90 30325 1 . ASN 91 91 30325 1 . TRP 92 92 30325 1 . THR 93 93 30325 1 . VAL 94 94 30325 1 . ALA 95 95 30325 1 . PRO 96 96 30325 1 . ALA 97 97 30325 1 . GLY 98 98 30325 1 . THR 99 99 30325 1 . GLY 100 100 30325 1 . SER 101 101 30325 1 . SER 102 102 30325 1 . VAL 103 103 30325 1 . ASN 104 104 30325 1 . LEU 105 105 30325 1 . LYS 106 106 30325 1 . THR 107 107 30325 1 . THR 108 108 30325 1 . TRP 109 109 30325 1 . THR 110 110 30325 1 . GLY 111 111 30325 1 . ALA 112 112 30325 1 . GLY 113 113 30325 1 . GLY 114 114 30325 1 . VAL 115 115 30325 1 . LYS 116 116 30325 1 . GLY 117 117 30325 1 . PHE 118 118 30325 1 . PHE 119 119 30325 1 . GLU 120 120 30325 1 . LYS 121 121 30325 1 . THR 122 122 30325 1 . PHE 123 123 30325 1 . ALA 124 124 30325 1 . PRO 125 125 30325 1 . LEU 126 126 30325 1 . GLY 127 127 30325 1 . LEU 128 128 30325 1 . ARG 129 129 30325 1 . ARG 130 130 30325 1 . ILE 131 131 30325 1 . GLN 132 132 30325 1 . ASP 133 133 30325 1 . GLU 134 134 30325 1 . VAL 135 135 30325 1 . LEU 136 136 30325 1 . GLU 137 137 30325 1 . ASN 138 138 30325 1 . LEU 139 139 30325 1 . LYS 140 140 30325 1 . LYS 141 141 30325 1 . HIS 142 142 30325 1 . VAL 143 143 30325 1 . GLU 144 144 30325 1 . GLY 145 145 30325 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30325 _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 . 246196 organism . 'Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)' 'Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)' . . Bacteria . Mycobacterium smegmatis 'ATCC 700084 / mc(2)155' . . . . . . . . . . MSMEI_6117 . 30325 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30325 _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' . . 562 Escherichia coli . . . . . . . . . . 30325 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30325 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [U-13C; U-15N] KanY protein ms6282, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'KanY protein ms6282' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 30325 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30325 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30325 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 30325 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 30325 1 pH 6.5 . pH 30325 1 pressure 1 . atm 30325 1 temperature 298 . K 30325 1 stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30325 _Software.ID 2 _Software.Type . _Software.Name CS-Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 30325 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30325 2 refinement 30325 2 'structure calculation' 30325 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30325 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30325 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30325 3 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30325 _Software.ID 1 _Software.Type . _Software.Name 4D-CHAINS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Evangelidis and Tripsianes' . . 30325 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30325 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 30325 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30325 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 850 . . . 30325 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30325 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '4D HC(CC TOCSY(CO))NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30325 1 2 '4D 13C,15N edited HMQC-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30325 1 3 '4D 13C,13C edited HMQC-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30325 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 30325 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 30325 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 30325 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132912 . . . . . 30325 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 30325 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '4D HC(CC TOCSY(CO))NH' . . . 30325 1 2 '4D 13C,15N edited HMQC-NOESY-HSQC' . . . 30325 1 3 '4D 13C,13C edited HMQC-NOESY-HSQC' . . . 30325 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 MET HA H 1 4.38 0.02 . 1 . . . . A 1 MET HA . 30325 1 2 . 1 1 1 1 MET HB2 H 1 1.976 0.02 . 1 . . . . A 1 MET HB2 . 30325 1 3 . 1 1 1 1 MET HB3 H 1 1.976 0.02 . 1 . . . . A 1 MET HB3 . 30325 1 4 . 1 1 1 1 MET HG2 H 1 2.539 0.02 . 1 . . . . A 1 MET HG2 . 30325 1 5 . 1 1 1 1 MET HG3 H 1 2.48 0.02 . 1 . . . . A 1 MET HG3 . 30325 1 6 . 1 1 1 1 MET HE1 H 1 2.009 0.02 . 1 . . . . A 1 MET HE1 . 30325 1 7 . 1 1 1 1 MET HE2 H 1 2.009 0.02 . 1 . . . . A 1 MET HE2 . 30325 1 8 . 1 1 1 1 MET HE3 H 1 2.009 0.02 . 1 . . . . A 1 MET HE3 . 30325 1 9 . 1 1 1 1 MET CA C 13 55.67 0.2 . 1 . . . . A 1 MET CA . 30325 1 10 . 1 1 1 1 MET CB C 13 32.797 0.2 . 1 . . . . A 1 MET CB . 30325 1 11 . 1 1 1 1 MET CG C 13 32.036 0.012 . 1 . . . . A 1 MET CG . 30325 1 12 . 1 1 1 1 MET CE C 13 16.965 0.2 . 1 . . . . A 1 MET CE . 30325 1 13 . 1 1 2 2 GLY H H 1 8.401 0.001 . 1 . . . . A 2 GLY H . 30325 1 14 . 1 1 2 2 GLY HA2 H 1 3.856 0.003 . 1 . . . . A 2 GLY HA2 . 30325 1 15 . 1 1 2 2 GLY HA3 H 1 3.856 0.003 . 1 . . . . A 2 GLY HA3 . 30325 1 16 . 1 1 2 2 GLY CA C 13 45.426 0.005 . 1 . . . . A 2 GLY CA . 30325 1 17 . 1 1 2 2 GLY N N 15 110.309 0.003 . 1 . . . . A 2 GLY N . 30325 1 18 . 1 1 3 3 GLN H H 1 7.998 0.001 . 1 . . . . A 3 GLN H . 30325 1 19 . 1 1 3 3 GLN HA H 1 4.521 0.02 . 1 . . . . A 3 GLN HA . 30325 1 20 . 1 1 3 3 GLN HB2 H 1 1.837 0.001 . 1 . . . . A 3 GLN HB2 . 30325 1 21 . 1 1 3 3 GLN HB3 H 1 1.837 0.001 . 1 . . . . A 3 GLN HB3 . 30325 1 22 . 1 1 3 3 GLN HG2 H 1 2.188 0.02 . 1 . . . . A 3 GLN HG2 . 30325 1 23 . 1 1 3 3 GLN HG3 H 1 2.069 0.004 . 1 . . . . A 3 GLN HG3 . 30325 1 24 . 1 1 3 3 GLN HE21 H 1 7.398 0.001 . 1 . . . . A 3 GLN HE21 . 30325 1 25 . 1 1 3 3 GLN HE22 H 1 6.785 0.02 . 1 . . . . A 3 GLN HE22 . 30325 1 26 . 1 1 3 3 GLN CA C 13 55.805 0.03 . 1 . . . . A 3 GLN CA . 30325 1 27 . 1 1 3 3 GLN CB C 13 30.714 0.016 . 1 . . . . A 3 GLN CB . 30325 1 28 . 1 1 3 3 GLN CG C 13 34.462 0.002 . 1 . . . . A 3 GLN CG . 30325 1 29 . 1 1 3 3 GLN N N 15 119.983 0.004 . 1 . . . . A 3 GLN N . 30325 1 30 . 1 1 3 3 GLN NE2 N 15 112.121 0.012 . 1 . . . . A 3 GLN NE2 . 30325 1 31 . 1 1 4 4 VAL H H 1 8.466 0.001 . 1 . . . . A 4 VAL H . 30325 1 32 . 1 1 4 4 VAL HA H 1 3.959 0.02 . 1 . . . . A 4 VAL HA . 30325 1 33 . 1 1 4 4 VAL HB H 1 0.883 0.006 . 1 . . . . A 4 VAL HB . 30325 1 34 . 1 1 4 4 VAL HG11 H 1 0.538 0.02 . 1 . . . . A 4 VAL HG11 . 30325 1 35 . 1 1 4 4 VAL HG12 H 1 0.538 0.02 . 1 . . . . A 4 VAL HG12 . 30325 1 36 . 1 1 4 4 VAL HG13 H 1 0.538 0.02 . 1 . . . . A 4 VAL HG13 . 30325 1 37 . 1 1 4 4 VAL HG21 H 1 0.31 0.001 . 1 . . . . A 4 VAL HG21 . 30325 1 38 . 1 1 4 4 VAL HG22 H 1 0.31 0.001 . 1 . . . . A 4 VAL HG22 . 30325 1 39 . 1 1 4 4 VAL HG23 H 1 0.31 0.001 . 1 . . . . A 4 VAL HG23 . 30325 1 40 . 1 1 4 4 VAL CA C 13 60.859 0.003 . 1 . . . . A 4 VAL CA . 30325 1 41 . 1 1 4 4 VAL CB C 13 33.188 0.031 . 1 . . . . A 4 VAL CB . 30325 1 42 . 1 1 4 4 VAL CG1 C 13 22.274 0.2 . 1 . . . . A 4 VAL CG1 . 30325 1 43 . 1 1 4 4 VAL CG2 C 13 19.88 0.008 . 1 . . . . A 4 VAL CG2 . 30325 1 44 . 1 1 4 4 VAL N N 15 124.245 0.007 . 1 . . . . A 4 VAL N . 30325 1 45 . 1 1 5 5 SER H H 1 7.592 0.002 . 1 . . . . A 5 SER H . 30325 1 46 . 1 1 5 5 SER HA H 1 5.295 0.004 . 1 . . . . A 5 SER HA . 30325 1 47 . 1 1 5 5 SER HB2 H 1 3.491 0.002 . 1 . . . . A 5 SER HB2 . 30325 1 48 . 1 1 5 5 SER HB3 H 1 3.369 0.003 . 1 . . . . A 5 SER HB3 . 30325 1 49 . 1 1 5 5 SER CA C 13 56.469 0.015 . 1 . . . . A 5 SER CA . 30325 1 50 . 1 1 5 5 SER CB C 13 67.136 0.008 . 1 . . . . A 5 SER CB . 30325 1 51 . 1 1 5 5 SER N N 15 113.814 0.008 . 1 . . . . A 5 SER N . 30325 1 52 . 1 1 6 6 ALA H H 1 8.897 0.001 . 1 . . . . A 6 ALA H . 30325 1 53 . 1 1 6 6 ALA HA H 1 4.675 0.004 . 1 . . . . A 6 ALA HA . 30325 1 54 . 1 1 6 6 ALA HB1 H 1 1.273 0.02 . 1 . . . . A 6 ALA HB1 . 30325 1 55 . 1 1 6 6 ALA HB2 H 1 1.273 0.02 . 1 . . . . A 6 ALA HB2 . 30325 1 56 . 1 1 6 6 ALA HB3 H 1 1.273 0.02 . 1 . . . . A 6 ALA HB3 . 30325 1 57 . 1 1 6 6 ALA CA C 13 51.056 0.003 . 1 . . . . A 6 ALA CA . 30325 1 58 . 1 1 6 6 ALA CB C 13 21.741 0.001 . 1 . . . . A 6 ALA CB . 30325 1 59 . 1 1 6 6 ALA N N 15 123.015 0.006 . 1 . . . . A 6 ALA N . 30325 1 60 . 1 1 7 7 VAL H H 1 8.708 0.001 . 1 . . . . A 7 VAL H . 30325 1 61 . 1 1 7 7 VAL HA H 1 5.027 0.004 . 1 . . . . A 7 VAL HA . 30325 1 62 . 1 1 7 7 VAL HB H 1 1.841 0.003 . 1 . . . . A 7 VAL HB . 30325 1 63 . 1 1 7 7 VAL HG11 H 1 0.782 0.028 . 1 . . . . A 7 VAL HG11 . 30325 1 64 . 1 1 7 7 VAL HG12 H 1 0.782 0.028 . 1 . . . . A 7 VAL HG12 . 30325 1 65 . 1 1 7 7 VAL HG13 H 1 0.782 0.028 . 1 . . . . A 7 VAL HG13 . 30325 1 66 . 1 1 7 7 VAL CA C 13 61.414 0.016 . 1 . . . . A 7 VAL CA . 30325 1 67 . 1 1 7 7 VAL CB C 13 34.115 0.014 . 1 . . . . A 7 VAL CB . 30325 1 68 . 1 1 7 7 VAL CG1 C 13 21.197 0.005 . 1 . . . . A 7 VAL CG1 . 30325 1 69 . 1 1 7 7 VAL N N 15 125.776 0.005 . 1 . . . . A 7 VAL N . 30325 1 70 . 1 1 8 8 SER H H 1 8.851 0.003 . 1 . . . . A 8 SER H . 30325 1 71 . 1 1 8 8 SER HA H 1 4.887 0.001 . 1 . . . . A 8 SER HA . 30325 1 72 . 1 1 8 8 SER HB2 H 1 4.117 0.001 . 1 . . . . A 8 SER HB2 . 30325 1 73 . 1 1 8 8 SER HB3 H 1 3.04 0.001 . 1 . . . . A 8 SER HB3 . 30325 1 74 . 1 1 8 8 SER CA C 13 57.928 0.014 . 1 . . . . A 8 SER CA . 30325 1 75 . 1 1 8 8 SER CB C 13 66.465 0.029 . 1 . . . . A 8 SER CB . 30325 1 76 . 1 1 8 8 SER N N 15 123.996 0.016 . 1 . . . . A 8 SER N . 30325 1 77 . 1 1 9 9 THR H H 1 8.659 0.001 . 1 . . . . A 9 THR H . 30325 1 78 . 1 1 9 9 THR HA H 1 5.578 0.001 . 1 . . . . A 9 THR HA . 30325 1 79 . 1 1 9 9 THR HB H 1 3.822 0.001 . 1 . . . . A 9 THR HB . 30325 1 80 . 1 1 9 9 THR HG21 H 1 1 0.001 . 1 . . . . A 9 THR HG21 . 30325 1 81 . 1 1 9 9 THR HG22 H 1 1 0.001 . 1 . . . . A 9 THR HG22 . 30325 1 82 . 1 1 9 9 THR HG23 H 1 1 0.001 . 1 . . . . A 9 THR HG23 . 30325 1 83 . 1 1 9 9 THR CA C 13 60.151 0.012 . 1 . . . . A 9 THR CA . 30325 1 84 . 1 1 9 9 THR CB C 13 72.246 0.002 . 1 . . . . A 9 THR CB . 30325 1 85 . 1 1 9 9 THR CG2 C 13 20.953 0.003 . 1 . . . . A 9 THR CG2 . 30325 1 86 . 1 1 9 9 THR N N 15 116.867 0.008 . 1 . . . . A 9 THR N . 30325 1 87 . 1 1 10 10 VAL H H 1 8.577 0.003 . 1 . . . . A 10 VAL H . 30325 1 88 . 1 1 10 10 VAL HA H 1 4.476 0.001 . 1 . . . . A 10 VAL HA . 30325 1 89 . 1 1 10 10 VAL HB H 1 1.978 0.001 . 1 . . . . A 10 VAL HB . 30325 1 90 . 1 1 10 10 VAL HG11 H 1 0.979 0.02 . 1 . . . . A 10 VAL HG11 . 30325 1 91 . 1 1 10 10 VAL HG12 H 1 0.979 0.02 . 1 . . . . A 10 VAL HG12 . 30325 1 92 . 1 1 10 10 VAL HG13 H 1 0.979 0.02 . 1 . . . . A 10 VAL HG13 . 30325 1 93 . 1 1 10 10 VAL HG21 H 1 0.792 0.001 . 1 . . . . A 10 VAL HG21 . 30325 1 94 . 1 1 10 10 VAL HG22 H 1 0.792 0.001 . 1 . . . . A 10 VAL HG22 . 30325 1 95 . 1 1 10 10 VAL HG23 H 1 0.792 0.001 . 1 . . . . A 10 VAL HG23 . 30325 1 96 . 1 1 10 10 VAL CA C 13 60.83 0.009 . 1 . . . . A 10 VAL CA . 30325 1 97 . 1 1 10 10 VAL CB C 13 35.692 0.011 . 1 . . . . A 10 VAL CB . 30325 1 98 . 1 1 10 10 VAL CG1 C 13 22.142 0.004 . 1 . . . . A 10 VAL CG1 . 30325 1 99 . 1 1 10 10 VAL CG2 C 13 20.853 0.005 . 1 . . . . A 10 VAL CG2 . 30325 1 100 . 1 1 10 10 VAL N N 15 122.479 0.008 . 1 . . . . A 10 VAL N . 30325 1 101 . 1 1 11 11 LEU H H 1 8.068 0.002 . 1 . . . . A 11 LEU H . 30325 1 102 . 1 1 11 11 LEU HA H 1 5.113 0.002 . 1 . . . . A 11 LEU HA . 30325 1 103 . 1 1 11 11 LEU HB2 H 1 1.57 0.003 . 1 . . . . A 11 LEU HB2 . 30325 1 104 . 1 1 11 11 LEU HB3 H 1 1.432 0.02 . 1 . . . . A 11 LEU HB3 . 30325 1 105 . 1 1 11 11 LEU HG H 1 1.501 0.02 . 1 . . . . A 11 LEU HG . 30325 1 106 . 1 1 11 11 LEU HD11 H 1 0.775 0.02 . 1 . . . . A 11 LEU HD11 . 30325 1 107 . 1 1 11 11 LEU HD12 H 1 0.775 0.02 . 1 . . . . A 11 LEU HD12 . 30325 1 108 . 1 1 11 11 LEU HD13 H 1 0.775 0.02 . 1 . . . . A 11 LEU HD13 . 30325 1 109 . 1 1 11 11 LEU HD21 H 1 0.728 0.02 . 1 . . . . A 11 LEU HD21 . 30325 1 110 . 1 1 11 11 LEU HD22 H 1 0.728 0.02 . 1 . . . . A 11 LEU HD22 . 30325 1 111 . 1 1 11 11 LEU HD23 H 1 0.728 0.02 . 1 . . . . A 11 LEU HD23 . 30325 1 112 . 1 1 11 11 LEU CA C 13 53.859 0.013 . 1 . . . . A 11 LEU CA . 30325 1 113 . 1 1 11 11 LEU CB C 13 43.013 0.023 . 1 . . . . A 11 LEU CB . 30325 1 114 . 1 1 11 11 LEU CG C 13 27.122 0.2 . 1 . . . . A 11 LEU CG . 30325 1 115 . 1 1 11 11 LEU CD1 C 13 24.85 0.2 . 1 . . . . A 11 LEU CD1 . 30325 1 116 . 1 1 11 11 LEU CD2 C 13 23.642 0.008 . 1 . . . . A 11 LEU CD2 . 30325 1 117 . 1 1 11 11 LEU N N 15 126.24 0.005 . 1 . . . . A 11 LEU N . 30325 1 118 . 1 1 12 12 ILE H H 1 8.988 0.002 . 1 . . . . A 12 ILE H . 30325 1 119 . 1 1 12 12 ILE HA H 1 4.222 0.02 . 1 . . . . A 12 ILE HA . 30325 1 120 . 1 1 12 12 ILE HB H 1 1.377 0.02 . 1 . . . . A 12 ILE HB . 30325 1 121 . 1 1 12 12 ILE HG12 H 1 1.594 0.02 . 1 . . . . A 12 ILE HG12 . 30325 1 122 . 1 1 12 12 ILE HG13 H 1 0.621 0.02 . 1 . . . . A 12 ILE HG13 . 30325 1 123 . 1 1 12 12 ILE HG21 H 1 0.82 0.02 . 1 . . . . A 12 ILE HG21 . 30325 1 124 . 1 1 12 12 ILE HG22 H 1 0.82 0.02 . 1 . . . . A 12 ILE HG22 . 30325 1 125 . 1 1 12 12 ILE HG23 H 1 0.82 0.02 . 1 . . . . A 12 ILE HG23 . 30325 1 126 . 1 1 12 12 ILE HD11 H 1 0.646 0.02 . 1 . . . . A 12 ILE HD11 . 30325 1 127 . 1 1 12 12 ILE HD12 H 1 0.646 0.02 . 1 . . . . A 12 ILE HD12 . 30325 1 128 . 1 1 12 12 ILE HD13 H 1 0.646 0.02 . 1 . . . . A 12 ILE HD13 . 30325 1 129 . 1 1 12 12 ILE CA C 13 60.297 0.024 . 1 . . . . A 12 ILE CA . 30325 1 130 . 1 1 12 12 ILE CB C 13 41.876 0.07 . 1 . . . . A 12 ILE CB . 30325 1 131 . 1 1 12 12 ILE CG1 C 13 28.137 0.092 . 1 . . . . A 12 ILE CG1 . 30325 1 132 . 1 1 12 12 ILE CG2 C 13 18.093 0.004 . 1 . . . . A 12 ILE CG2 . 30325 1 133 . 1 1 12 12 ILE CD1 C 13 13.589 0.008 . 1 . . . . A 12 ILE CD1 . 30325 1 134 . 1 1 12 12 ILE N N 15 120.92 0.01 . 1 . . . . A 12 ILE N . 30325 1 135 . 1 1 13 13 ASN H H 1 10.585 0.002 . 1 . . . . A 13 ASN H . 30325 1 136 . 1 1 13 13 ASN HA H 1 4.851 0.004 . 1 . . . . A 13 ASN HA . 30325 1 137 . 1 1 13 13 ASN HB2 H 1 2.748 0.001 . 1 . . . . A 13 ASN HB2 . 30325 1 138 . 1 1 13 13 ASN HB3 H 1 2.505 0.001 . 1 . . . . A 13 ASN HB3 . 30325 1 139 . 1 1 13 13 ASN HD21 H 1 7.582 0.001 . 1 . . . . A 13 ASN HD21 . 30325 1 140 . 1 1 13 13 ASN HD22 H 1 6.73 0.02 . 1 . . . . A 13 ASN HD22 . 30325 1 141 . 1 1 13 13 ASN CA C 13 52.456 0.2 . 1 . . . . A 13 ASN CA . 30325 1 142 . 1 1 13 13 ASN CB C 13 36.305 0.005 . 1 . . . . A 13 ASN CB . 30325 1 143 . 1 1 13 13 ASN N N 15 131.797 0.011 . 1 . . . . A 13 ASN N . 30325 1 144 . 1 1 13 13 ASN ND2 N 15 112.936 0.007 . 1 . . . . A 13 ASN ND2 . 30325 1 145 . 1 1 14 14 ALA H H 1 8.17 0.02 . 1 . . . . A 14 ALA H . 30325 1 146 . 1 1 14 14 ALA HA H 1 4.422 0.001 . 1 . . . . A 14 ALA HA . 30325 1 147 . 1 1 14 14 ALA HB1 H 1 1.067 0.02 . 1 . . . . A 14 ALA HB1 . 30325 1 148 . 1 1 14 14 ALA HB2 H 1 1.067 0.02 . 1 . . . . A 14 ALA HB2 . 30325 1 149 . 1 1 14 14 ALA HB3 H 1 1.067 0.02 . 1 . . . . A 14 ALA HB3 . 30325 1 150 . 1 1 14 14 ALA CA C 13 51.353 0.005 . 1 . . . . A 14 ALA CA . 30325 1 151 . 1 1 14 14 ALA CB C 13 22.806 0.003 . 1 . . . . A 14 ALA CB . 30325 1 152 . 1 1 14 14 ALA N N 15 122.797 0.009 . 1 . . . . A 14 ALA N . 30325 1 153 . 1 1 15 15 GLU H H 1 8.815 0.001 . 1 . . . . A 15 GLU H . 30325 1 154 . 1 1 15 15 GLU HA H 1 4.316 0.02 . 1 . . . . A 15 GLU HA . 30325 1 155 . 1 1 15 15 GLU HB2 H 1 2.137 0.02 . 1 . . . . A 15 GLU HB2 . 30325 1 156 . 1 1 15 15 GLU HB3 H 1 1.973 0.02 . 1 . . . . A 15 GLU HB3 . 30325 1 157 . 1 1 15 15 GLU HG2 H 1 2.327 0.02 . 1 . . . . A 15 GLU HG2 . 30325 1 158 . 1 1 15 15 GLU HG3 H 1 2.327 0.02 . 1 . . . . A 15 GLU HG3 . 30325 1 159 . 1 1 15 15 GLU CA C 13 55.032 0.2 . 1 . . . . A 15 GLU CA . 30325 1 160 . 1 1 15 15 GLU CB C 13 29.065 0.007 . 1 . . . . A 15 GLU CB . 30325 1 161 . 1 1 15 15 GLU CG C 13 36.575 0.2 . 1 . . . . A 15 GLU CG . 30325 1 162 . 1 1 15 15 GLU N N 15 121.179 0.004 . 1 . . . . A 15 GLU N . 30325 1 163 . 1 1 16 16 PRO HA H 1 4.097 0.02 . 1 . . . . A 16 PRO HA . 30325 1 164 . 1 1 16 16 PRO HB2 H 1 1.865 0.02 . 1 . . . . A 16 PRO HB2 . 30325 1 165 . 1 1 16 16 PRO HB3 H 1 1.797 0.02 . 1 . . . . A 16 PRO HB3 . 30325 1 166 . 1 1 16 16 PRO HG2 H 1 1.961 0.02 . 1 . . . . A 16 PRO HG2 . 30325 1 167 . 1 1 16 16 PRO HG3 H 1 1.8 0.02 . 1 . . . . A 16 PRO HG3 . 30325 1 168 . 1 1 16 16 PRO HD2 H 1 3.7 0.02 . 1 . . . . A 16 PRO HD2 . 30325 1 169 . 1 1 16 16 PRO HD3 H 1 3.618 0.02 . 1 . . . . A 16 PRO HD3 . 30325 1 170 . 1 1 16 16 PRO CA C 13 66.058 0.2 . 1 . . . . A 16 PRO CA . 30325 1 171 . 1 1 16 16 PRO CB C 13 32.165 0.121 . 1 . . . . A 16 PRO CB . 30325 1 172 . 1 1 16 16 PRO CG C 13 26.914 0.11 . 1 . . . . A 16 PRO CG . 30325 1 173 . 1 1 16 16 PRO CD C 13 50.486 0.044 . 1 . . . . A 16 PRO CD . 30325 1 174 . 1 1 17 17 ALA H H 1 8.713 0.004 . 1 . . . . A 17 ALA H . 30325 1 175 . 1 1 17 17 ALA HA H 1 3.886 0.02 . 1 . . . . A 17 ALA HA . 30325 1 176 . 1 1 17 17 ALA HB1 H 1 1.341 0.02 . 1 . . . . A 17 ALA HB1 . 30325 1 177 . 1 1 17 17 ALA HB2 H 1 1.341 0.02 . 1 . . . . A 17 ALA HB2 . 30325 1 178 . 1 1 17 17 ALA HB3 H 1 1.341 0.02 . 1 . . . . A 17 ALA HB3 . 30325 1 179 . 1 1 17 17 ALA CA C 13 55.563 0.2 . 1 . . . . A 17 ALA CA . 30325 1 180 . 1 1 17 17 ALA CB C 13 18.288 0.2 . 1 . . . . A 17 ALA CB . 30325 1 181 . 1 1 17 17 ALA N N 15 117.766 0.032 . 1 . . . . A 17 ALA N . 30325 1 182 . 1 1 18 18 ALA H H 1 7.183 0.001 . 1 . . . . A 18 ALA H . 30325 1 183 . 1 1 18 18 ALA HA H 1 4.112 0.02 . 1 . . . . A 18 ALA HA . 30325 1 184 . 1 1 18 18 ALA HB1 H 1 1.43 0.02 . 1 . . . . A 18 ALA HB1 . 30325 1 185 . 1 1 18 18 ALA HB2 H 1 1.43 0.02 . 1 . . . . A 18 ALA HB2 . 30325 1 186 . 1 1 18 18 ALA HB3 H 1 1.43 0.02 . 1 . . . . A 18 ALA HB3 . 30325 1 187 . 1 1 18 18 ALA CA C 13 54.355 0.2 . 1 . . . . A 18 ALA CA . 30325 1 188 . 1 1 18 18 ALA CB C 13 18.077 0.2 . 1 . . . . A 18 ALA CB . 30325 1 189 . 1 1 18 18 ALA N N 15 120.713 0.003 . 1 . . . . A 18 ALA N . 30325 1 190 . 1 1 19 19 VAL H H 1 7.595 0.001 . 1 . . . . A 19 VAL H . 30325 1 191 . 1 1 19 19 VAL HA H 1 3.311 0.004 . 1 . . . . A 19 VAL HA . 30325 1 192 . 1 1 19 19 VAL HB H 1 2.019 0.003 . 1 . . . . A 19 VAL HB . 30325 1 193 . 1 1 19 19 VAL HG11 H 1 0.76 0.001 . 1 . . . . A 19 VAL HG11 . 30325 1 194 . 1 1 19 19 VAL HG12 H 1 0.76 0.001 . 1 . . . . A 19 VAL HG12 . 30325 1 195 . 1 1 19 19 VAL HG13 H 1 0.76 0.001 . 1 . . . . A 19 VAL HG13 . 30325 1 196 . 1 1 19 19 VAL HG21 H 1 0.762 0.001 . 1 . . . . A 19 VAL HG21 . 30325 1 197 . 1 1 19 19 VAL HG22 H 1 0.762 0.001 . 1 . . . . A 19 VAL HG22 . 30325 1 198 . 1 1 19 19 VAL HG23 H 1 0.762 0.001 . 1 . . . . A 19 VAL HG23 . 30325 1 199 . 1 1 19 19 VAL CA C 13 66.845 0.007 . 1 . . . . A 19 VAL CA . 30325 1 200 . 1 1 19 19 VAL CB C 13 31.375 0.003 . 1 . . . . A 19 VAL CB . 30325 1 201 . 1 1 19 19 VAL CG1 C 13 24.097 0.005 . 1 . . . . A 19 VAL CG1 . 30325 1 202 . 1 1 19 19 VAL CG2 C 13 23.436 0.001 . 1 . . . . A 19 VAL CG2 . 30325 1 203 . 1 1 19 19 VAL N N 15 120.154 0.006 . 1 . . . . A 19 VAL N . 30325 1 204 . 1 1 20 20 LEU H H 1 8.719 0.002 . 1 . . . . A 20 LEU H . 30325 1 205 . 1 1 20 20 LEU HA H 1 3.737 0.001 . 1 . . . . A 20 LEU HA . 30325 1 206 . 1 1 20 20 LEU HB2 H 1 1.655 0.003 . 1 . . . . A 20 LEU HB2 . 30325 1 207 . 1 1 20 20 LEU HB3 H 1 1.313 0.001 . 1 . . . . A 20 LEU HB3 . 30325 1 208 . 1 1 20 20 LEU HG H 1 1.341 0.001 . 1 . . . . A 20 LEU HG . 30325 1 209 . 1 1 20 20 LEU HD11 H 1 0.71 0.003 . 1 . . . . A 20 LEU HD11 . 30325 1 210 . 1 1 20 20 LEU HD12 H 1 0.71 0.003 . 1 . . . . A 20 LEU HD12 . 30325 1 211 . 1 1 20 20 LEU HD13 H 1 0.71 0.003 . 1 . . . . A 20 LEU HD13 . 30325 1 212 . 1 1 20 20 LEU HD21 H 1 0.641 0.001 . 1 . . . . A 20 LEU HD21 . 30325 1 213 . 1 1 20 20 LEU HD22 H 1 0.641 0.001 . 1 . . . . A 20 LEU HD22 . 30325 1 214 . 1 1 20 20 LEU HD23 H 1 0.641 0.001 . 1 . . . . A 20 LEU HD23 . 30325 1 215 . 1 1 20 20 LEU CA C 13 58.141 0.007 . 1 . . . . A 20 LEU CA . 30325 1 216 . 1 1 20 20 LEU CB C 13 42.026 0.006 . 1 . . . . A 20 LEU CB . 30325 1 217 . 1 1 20 20 LEU CG C 13 27.163 0.017 . 1 . . . . A 20 LEU CG . 30325 1 218 . 1 1 20 20 LEU CD1 C 13 25.122 0.001 . 1 . . . . A 20 LEU CD1 . 30325 1 219 . 1 1 20 20 LEU CD2 C 13 23.613 0.01 . 1 . . . . A 20 LEU CD2 . 30325 1 220 . 1 1 20 20 LEU N N 15 120.481 0.009 . 1 . . . . A 20 LEU N . 30325 1 221 . 1 1 21 21 ALA H H 1 7.638 0.002 . 1 . . . . A 21 ALA H . 30325 1 222 . 1 1 21 21 ALA HA H 1 3.848 0.02 . 1 . . . . A 21 ALA HA . 30325 1 223 . 1 1 21 21 ALA HB1 H 1 1.363 0.02 . 1 . . . . A 21 ALA HB1 . 30325 1 224 . 1 1 21 21 ALA HB2 H 1 1.363 0.02 . 1 . . . . A 21 ALA HB2 . 30325 1 225 . 1 1 21 21 ALA HB3 H 1 1.363 0.02 . 1 . . . . A 21 ALA HB3 . 30325 1 226 . 1 1 21 21 ALA CA C 13 55.028 0.2 . 1 . . . . A 21 ALA CA . 30325 1 227 . 1 1 21 21 ALA CB C 13 17.72 0.2 . 1 . . . . A 21 ALA CB . 30325 1 228 . 1 1 21 21 ALA N N 15 121.424 0.008 . 1 . . . . A 21 ALA N . 30325 1 229 . 1 1 22 22 ALA H H 1 7.203 0.001 . 1 . . . . A 22 ALA H . 30325 1 230 . 1 1 22 22 ALA HA H 1 4.064 0.02 . 1 . . . . A 22 ALA HA . 30325 1 231 . 1 1 22 22 ALA HB1 H 1 1.313 0.02 . 1 . . . . A 22 ALA HB1 . 30325 1 232 . 1 1 22 22 ALA HB2 H 1 1.313 0.02 . 1 . . . . A 22 ALA HB2 . 30325 1 233 . 1 1 22 22 ALA HB3 H 1 1.313 0.02 . 1 . . . . A 22 ALA HB3 . 30325 1 234 . 1 1 22 22 ALA CA C 13 54.737 0.2 . 1 . . . . A 22 ALA CA . 30325 1 235 . 1 1 22 22 ALA CB C 13 18.401 0.2 . 1 . . . . A 22 ALA CB . 30325 1 236 . 1 1 22 22 ALA N N 15 119.136 0.002 . 1 . . . . A 22 ALA N . 30325 1 237 . 1 1 23 23 ILE H H 1 7.916 0.003 . 1 . . . . A 23 ILE H . 30325 1 238 . 1 1 23 23 ILE HA H 1 2.532 0.02 . 1 . . . . A 23 ILE HA . 30325 1 239 . 1 1 23 23 ILE HB H 1 1.207 0.02 . 1 . . . . A 23 ILE HB . 30325 1 240 . 1 1 23 23 ILE HG12 H 1 1.482 0.02 . 1 . . . . A 23 ILE HG12 . 30325 1 241 . 1 1 23 23 ILE HG13 H 1 0.195 0.02 . 1 . . . . A 23 ILE HG13 . 30325 1 242 . 1 1 23 23 ILE HG21 H 1 -0.427 0.02 . 1 . . . . A 23 ILE HG21 . 30325 1 243 . 1 1 23 23 ILE HG22 H 1 -0.427 0.02 . 1 . . . . A 23 ILE HG22 . 30325 1 244 . 1 1 23 23 ILE HG23 H 1 -0.427 0.02 . 1 . . . . A 23 ILE HG23 . 30325 1 245 . 1 1 23 23 ILE HD11 H 1 0.595 0.02 . 1 . . . . A 23 ILE HD11 . 30325 1 246 . 1 1 23 23 ILE HD12 H 1 0.595 0.02 . 1 . . . . A 23 ILE HD12 . 30325 1 247 . 1 1 23 23 ILE HD13 H 1 0.595 0.02 . 1 . . . . A 23 ILE HD13 . 30325 1 248 . 1 1 23 23 ILE CA C 13 65.366 0.2 . 1 . . . . A 23 ILE CA . 30325 1 249 . 1 1 23 23 ILE CB C 13 38.356 0.2 . 1 . . . . A 23 ILE CB . 30325 1 250 . 1 1 23 23 ILE CG1 C 13 29.477 0.021 . 1 . . . . A 23 ILE CG1 . 30325 1 251 . 1 1 23 23 ILE CG2 C 13 16.51 0.2 . 1 . . . . A 23 ILE CG2 . 30325 1 252 . 1 1 23 23 ILE CD1 C 13 15.811 0.2 . 1 . . . . A 23 ILE CD1 . 30325 1 253 . 1 1 23 23 ILE N N 15 117.759 0.006 . 1 . . . . A 23 ILE N . 30325 1 254 . 1 1 24 24 SER H H 1 7.302 0.001 . 1 . . . . A 24 SER H . 30325 1 255 . 1 1 24 24 SER HA H 1 3.958 0.002 . 1 . . . . A 24 SER HA . 30325 1 256 . 1 1 24 24 SER HB2 H 1 3.817 0.001 . 1 . . . . A 24 SER HB2 . 30325 1 257 . 1 1 24 24 SER HB3 H 1 3.57 0.003 . 1 . . . . A 24 SER HB3 . 30325 1 258 . 1 1 24 24 SER CA C 13 59.537 0.005 . 1 . . . . A 24 SER CA . 30325 1 259 . 1 1 24 24 SER CB C 13 63.956 0.036 . 1 . . . . A 24 SER CB . 30325 1 260 . 1 1 24 24 SER N N 15 107.677 0.01 . 1 . . . . A 24 SER N . 30325 1 261 . 1 1 25 25 ASP H H 1 6.639 0.001 . 1 . . . . A 25 ASP H . 30325 1 262 . 1 1 25 25 ASP HA H 1 4.921 0.02 . 1 . . . . A 25 ASP HA . 30325 1 263 . 1 1 25 25 ASP HB2 H 1 2.862 0.02 . 1 . . . . A 25 ASP HB2 . 30325 1 264 . 1 1 25 25 ASP HB3 H 1 2.573 0.02 . 1 . . . . A 25 ASP HB3 . 30325 1 265 . 1 1 25 25 ASP CA C 13 53.292 0.2 . 1 . . . . A 25 ASP CA . 30325 1 266 . 1 1 25 25 ASP CB C 13 40.555 0.005 . 1 . . . . A 25 ASP CB . 30325 1 267 . 1 1 25 25 ASP N N 15 119.815 0.018 . 1 . . . . A 25 ASP N . 30325 1 268 . 1 1 26 26 TYR H H 1 8.608 0.009 . 1 . . . . A 26 TYR H . 30325 1 269 . 1 1 26 26 TYR HA H 1 4.03 0.002 . 1 . . . . A 26 TYR HA . 30325 1 270 . 1 1 26 26 TYR HB2 H 1 3.07 0.02 . 1 . . . . A 26 TYR HB2 . 30325 1 271 . 1 1 26 26 TYR HB3 H 1 2.889 0.016 . 1 . . . . A 26 TYR HB3 . 30325 1 272 . 1 1 26 26 TYR HD1 H 1 7.163 0.02 . 1 . . . . A 26 TYR HD1 . 30325 1 273 . 1 1 26 26 TYR HD2 H 1 7.163 0.02 . 1 . . . . A 26 TYR HD2 . 30325 1 274 . 1 1 26 26 TYR CA C 13 60.169 0.007 . 1 . . . . A 26 TYR CA . 30325 1 275 . 1 1 26 26 TYR CB C 13 37.886 0.043 . 1 . . . . A 26 TYR CB . 30325 1 276 . 1 1 26 26 TYR CD1 C 13 132.736 0.2 . 1 . . . . A 26 TYR CD1 . 30325 1 277 . 1 1 26 26 TYR CD2 C 13 132.736 0.2 . 1 . . . . A 26 TYR CD2 . 30325 1 278 . 1 1 26 26 TYR N N 15 125.642 0.049 . 1 . . . . A 26 TYR N . 30325 1 279 . 1 1 27 27 GLN H H 1 8.047 0.003 . 1 . . . . A 27 GLN H . 30325 1 280 . 1 1 27 27 GLN HA H 1 4.45 0.005 . 1 . . . . A 27 GLN HA . 30325 1 281 . 1 1 27 27 GLN HB2 H 1 2.113 0.002 . 1 . . . . A 27 GLN HB2 . 30325 1 282 . 1 1 27 27 GLN HB3 H 1 2.04 0.006 . 1 . . . . A 27 GLN HB3 . 30325 1 283 . 1 1 27 27 GLN HG2 H 1 2.41 0.003 . 1 . . . . A 27 GLN HG2 . 30325 1 284 . 1 1 27 27 GLN HG3 H 1 2.357 0.011 . 1 . . . . A 27 GLN HG3 . 30325 1 285 . 1 1 27 27 GLN HE21 H 1 7.539 0.002 . 1 . . . . A 27 GLN HE21 . 30325 1 286 . 1 1 27 27 GLN HE22 H 1 6.841 0.002 . 1 . . . . A 27 GLN HE22 . 30325 1 287 . 1 1 27 27 GLN CA C 13 57.859 0.2 . 1 . . . . A 27 GLN CA . 30325 1 288 . 1 1 27 27 GLN CB C 13 30.54 0.014 . 1 . . . . A 27 GLN CB . 30325 1 289 . 1 1 27 27 GLN CG C 13 33.833 0.024 . 1 . . . . A 27 GLN CG . 30325 1 290 . 1 1 27 27 GLN N N 15 119.75 0.013 . 1 . . . . A 27 GLN N . 30325 1 291 . 1 1 27 27 GLN NE2 N 15 111.859 0.006 . 1 . . . . A 27 GLN NE2 . 30325 1 292 . 1 1 28 28 THR H H 1 9.021 0.002 . 1 . . . . A 28 THR H . 30325 1 293 . 1 1 28 28 THR HA H 1 4.308 0.02 . 1 . . . . A 28 THR HA . 30325 1 294 . 1 1 28 28 THR HB H 1 4.214 0.02 . 1 . . . . A 28 THR HB . 30325 1 295 . 1 1 28 28 THR HG21 H 1 1.044 0.02 . 1 . . . . A 28 THR HG21 . 30325 1 296 . 1 1 28 28 THR HG22 H 1 1.044 0.02 . 1 . . . . A 28 THR HG22 . 30325 1 297 . 1 1 28 28 THR HG23 H 1 1.044 0.02 . 1 . . . . A 28 THR HG23 . 30325 1 298 . 1 1 28 28 THR CA C 13 63.712 0.2 . 1 . . . . A 28 THR CA . 30325 1 299 . 1 1 28 28 THR CB C 13 69.251 0.2 . 1 . . . . A 28 THR CB . 30325 1 300 . 1 1 28 28 THR CG2 C 13 21.81 0.2 . 1 . . . . A 28 THR CG2 . 30325 1 301 . 1 1 28 28 THR N N 15 112.917 0.007 . 1 . . . . A 28 THR N . 30325 1 302 . 1 1 29 29 VAL H H 1 7.248 0.002 . 1 . . . . A 29 VAL H . 30325 1 303 . 1 1 29 29 VAL HA H 1 3.137 0.02 . 1 . . . . A 29 VAL HA . 30325 1 304 . 1 1 29 29 VAL HB H 1 2.152 0.001 . 1 . . . . A 29 VAL HB . 30325 1 305 . 1 1 29 29 VAL HG11 H 1 0.778 0.001 . 1 . . . . A 29 VAL HG11 . 30325 1 306 . 1 1 29 29 VAL HG12 H 1 0.778 0.001 . 1 . . . . A 29 VAL HG12 . 30325 1 307 . 1 1 29 29 VAL HG13 H 1 0.778 0.001 . 1 . . . . A 29 VAL HG13 . 30325 1 308 . 1 1 29 29 VAL HG21 H 1 0.085 0.001 . 1 . . . . A 29 VAL HG21 . 30325 1 309 . 1 1 29 29 VAL HG22 H 1 0.085 0.001 . 1 . . . . A 29 VAL HG22 . 30325 1 310 . 1 1 29 29 VAL HG23 H 1 0.085 0.001 . 1 . . . . A 29 VAL HG23 . 30325 1 311 . 1 1 29 29 VAL CA C 13 66.27 0.026 . 1 . . . . A 29 VAL CA . 30325 1 312 . 1 1 29 29 VAL CB C 13 30.86 0.001 . 1 . . . . A 29 VAL CB . 30325 1 313 . 1 1 29 29 VAL CG1 C 13 22.682 0.011 . 1 . . . . A 29 VAL CG1 . 30325 1 314 . 1 1 29 29 VAL CG2 C 13 21.331 0.013 . 1 . . . . A 29 VAL CG2 . 30325 1 315 . 1 1 29 29 VAL N N 15 121.487 0.002 . 1 . . . . A 29 VAL N . 30325 1 316 . 1 1 30 30 ARG H H 1 7.079 0.004 . 1 . . . . A 30 ARG H . 30325 1 317 . 1 1 30 30 ARG HA H 1 3.671 0.02 . 1 . . . . A 30 ARG HA . 30325 1 318 . 1 1 30 30 ARG HB2 H 1 1.656 0.02 . 1 . . . . A 30 ARG HB2 . 30325 1 319 . 1 1 30 30 ARG HB3 H 1 1.656 0.02 . 1 . . . . A 30 ARG HB3 . 30325 1 320 . 1 1 30 30 ARG HG2 H 1 1.617 0.02 . 1 . . . . A 30 ARG HG2 . 30325 1 321 . 1 1 30 30 ARG HG3 H 1 1.28 0.02 . 1 . . . . A 30 ARG HG3 . 30325 1 322 . 1 1 30 30 ARG CA C 13 57.656 0.2 . 1 . . . . A 30 ARG CA . 30325 1 323 . 1 1 30 30 ARG CB C 13 27.54 0.2 . 1 . . . . A 30 ARG CB . 30325 1 324 . 1 1 30 30 ARG CG C 13 24.614 0.053 . 1 . . . . A 30 ARG CG . 30325 1 325 . 1 1 30 30 ARG N N 15 116.257 0.026 . 1 . . . . A 30 ARG N . 30325 1 326 . 1 1 31 31 PRO HA H 1 3.321 0.02 . 1 . . . . A 31 PRO HA . 30325 1 327 . 1 1 31 31 PRO HB2 H 1 1.759 0.02 . 1 . . . . A 31 PRO HB2 . 30325 1 328 . 1 1 31 31 PRO HB3 H 1 1.546 0.02 . 1 . . . . A 31 PRO HB3 . 30325 1 329 . 1 1 31 31 PRO HG2 H 1 1.757 0.02 . 1 . . . . A 31 PRO HG2 . 30325 1 330 . 1 1 31 31 PRO HG3 H 1 1.653 0.02 . 1 . . . . A 31 PRO HG3 . 30325 1 331 . 1 1 31 31 PRO HD2 H 1 3.016 0.003 . 1 . . . . A 31 PRO HD2 . 30325 1 332 . 1 1 31 31 PRO HD3 H 1 2.845 0.005 . 1 . . . . A 31 PRO HD3 . 30325 1 333 . 1 1 31 31 PRO CA C 13 65.115 0.2 . 1 . . . . A 31 PRO CA . 30325 1 334 . 1 1 31 31 PRO CB C 13 29.866 0.019 . 1 . . . . A 31 PRO CB . 30325 1 335 . 1 1 31 31 PRO CG C 13 27.616 0.04 . 1 . . . . A 31 PRO CG . 30325 1 336 . 1 1 31 31 PRO CD C 13 48.647 0.08 . 1 . . . . A 31 PRO CD . 30325 1 337 . 1 1 32 32 LYS H H 1 6.774 0.002 . 1 . . . . A 32 LYS H . 30325 1 338 . 1 1 32 32 LYS HA H 1 3.978 0.02 . 1 . . . . A 32 LYS HA . 30325 1 339 . 1 1 32 32 LYS HB2 H 1 1.698 0.005 . 1 . . . . A 32 LYS HB2 . 30325 1 340 . 1 1 32 32 LYS HB3 H 1 1.698 0.005 . 1 . . . . A 32 LYS HB3 . 30325 1 341 . 1 1 32 32 LYS HG2 H 1 1.382 0.02 . 1 . . . . A 32 LYS HG2 . 30325 1 342 . 1 1 32 32 LYS HG3 H 1 1.239 0.004 . 1 . . . . A 32 LYS HG3 . 30325 1 343 . 1 1 32 32 LYS HD2 H 1 1.502 0.002 . 1 . . . . A 32 LYS HD2 . 30325 1 344 . 1 1 32 32 LYS HD3 H 1 1.502 0.002 . 1 . . . . A 32 LYS HD3 . 30325 1 345 . 1 1 32 32 LYS HE2 H 1 2.909 0.02 . 1 . . . . A 32 LYS HE2 . 30325 1 346 . 1 1 32 32 LYS HE3 H 1 2.909 0.02 . 1 . . . . A 32 LYS HE3 . 30325 1 347 . 1 1 32 32 LYS CA C 13 57.591 0.017 . 1 . . . . A 32 LYS CA . 30325 1 348 . 1 1 32 32 LYS CB C 13 32.764 0.004 . 1 . . . . A 32 LYS CB . 30325 1 349 . 1 1 32 32 LYS CG C 13 25.146 0.068 . 1 . . . . A 32 LYS CG . 30325 1 350 . 1 1 32 32 LYS CD C 13 29.322 0.037 . 1 . . . . A 32 LYS CD . 30325 1 351 . 1 1 32 32 LYS CE C 13 41.953 0.2 . 1 . . . . A 32 LYS CE . 30325 1 352 . 1 1 32 32 LYS N N 15 113.785 0.026 . 1 . . . . A 32 LYS N . 30325 1 353 . 1 1 33 33 ILE H H 1 7.139 0.002 . 1 . . . . A 33 ILE H . 30325 1 354 . 1 1 33 33 ILE HA H 1 4.288 0.001 . 1 . . . . A 33 ILE HA . 30325 1 355 . 1 1 33 33 ILE HB H 1 2.037 0.01 . 1 . . . . A 33 ILE HB . 30325 1 356 . 1 1 33 33 ILE HG12 H 1 1.199 0.02 . 1 . . . . A 33 ILE HG12 . 30325 1 357 . 1 1 33 33 ILE HG13 H 1 0.905 0.02 . 1 . . . . A 33 ILE HG13 . 30325 1 358 . 1 1 33 33 ILE HG21 H 1 0.373 0.001 . 1 . . . . A 33 ILE HG21 . 30325 1 359 . 1 1 33 33 ILE HG22 H 1 0.373 0.001 . 1 . . . . A 33 ILE HG22 . 30325 1 360 . 1 1 33 33 ILE HG23 H 1 0.373 0.001 . 1 . . . . A 33 ILE HG23 . 30325 1 361 . 1 1 33 33 ILE HD11 H 1 0.423 0.02 . 1 . . . . A 33 ILE HD11 . 30325 1 362 . 1 1 33 33 ILE HD12 H 1 0.423 0.02 . 1 . . . . A 33 ILE HD12 . 30325 1 363 . 1 1 33 33 ILE HD13 H 1 0.423 0.02 . 1 . . . . A 33 ILE HD13 . 30325 1 364 . 1 1 33 33 ILE CA C 13 60.914 0.054 . 1 . . . . A 33 ILE CA . 30325 1 365 . 1 1 33 33 ILE CB C 13 38.936 0.006 . 1 . . . . A 33 ILE CB . 30325 1 366 . 1 1 33 33 ILE CG1 C 13 25.79 0.069 . 1 . . . . A 33 ILE CG1 . 30325 1 367 . 1 1 33 33 ILE CG2 C 13 16.131 0.009 . 1 . . . . A 33 ILE CG2 . 30325 1 368 . 1 1 33 33 ILE CD1 C 13 14.264 0.018 . 1 . . . . A 33 ILE CD1 . 30325 1 369 . 1 1 33 33 ILE N N 15 109.209 0.016 . 1 . . . . A 33 ILE N . 30325 1 370 . 1 1 34 34 LEU H H 1 6.364 0.003 . 1 . . . . A 34 LEU H . 30325 1 371 . 1 1 34 34 LEU HA H 1 3.5 0.02 . 1 . . . . A 34 LEU HA . 30325 1 372 . 1 1 34 34 LEU HB2 H 1 1.263 0.012 . 1 . . . . A 34 LEU HB2 . 30325 1 373 . 1 1 34 34 LEU HB3 H 1 0.865 0.003 . 1 . . . . A 34 LEU HB3 . 30325 1 374 . 1 1 34 34 LEU HD11 H 1 0.026 0.001 . 1 . . . . A 34 LEU HD11 . 30325 1 375 . 1 1 34 34 LEU HD12 H 1 0.026 0.001 . 1 . . . . A 34 LEU HD12 . 30325 1 376 . 1 1 34 34 LEU HD13 H 1 0.026 0.001 . 1 . . . . A 34 LEU HD13 . 30325 1 377 . 1 1 34 34 LEU HD21 H 1 -0.71 0.001 . 1 . . . . A 34 LEU HD21 . 30325 1 378 . 1 1 34 34 LEU HD22 H 1 -0.71 0.001 . 1 . . . . A 34 LEU HD22 . 30325 1 379 . 1 1 34 34 LEU HD23 H 1 -0.71 0.001 . 1 . . . . A 34 LEU HD23 . 30325 1 380 . 1 1 34 34 LEU CA C 13 55.463 0.005 . 1 . . . . A 34 LEU CA . 30325 1 381 . 1 1 34 34 LEU CB C 13 40.332 0.11 . 1 . . . . A 34 LEU CB . 30325 1 382 . 1 1 34 34 LEU CD1 C 13 23.869 0.103 . 1 . . . . A 34 LEU CD1 . 30325 1 383 . 1 1 34 34 LEU CD2 C 13 18.87 0.004 . 1 . . . . A 34 LEU CD2 . 30325 1 384 . 1 1 34 34 LEU N N 15 119.507 0.024 . 1 . . . . A 34 LEU N . 30325 1 385 . 1 1 35 35 SER H H 1 6.224 0.005 . 1 . . . . A 35 SER H . 30325 1 386 . 1 1 35 35 SER HA H 1 4.667 0.02 . 1 . . . . A 35 SER HA . 30325 1 387 . 1 1 35 35 SER HB2 H 1 4.633 0.02 . 1 . . . . A 35 SER HB2 . 30325 1 388 . 1 1 35 35 SER HB3 H 1 3.622 0.02 . 1 . . . . A 35 SER HB3 . 30325 1 389 . 1 1 35 35 SER CA C 13 58.02 0.2 . 1 . . . . A 35 SER CA . 30325 1 390 . 1 1 35 35 SER CB C 13 65.122 0.03 . 1 . . . . A 35 SER CB . 30325 1 391 . 1 1 35 35 SER N N 15 114.608 0.046 . 1 . . . . A 35 SER N . 30325 1 392 . 1 1 36 36 SER H H 1 8.979 0.002 . 1 . . . . A 36 SER H . 30325 1 393 . 1 1 36 36 SER HA H 1 4.173 0.003 . 1 . . . . A 36 SER HA . 30325 1 394 . 1 1 36 36 SER HB2 H 1 3.793 0.006 . 1 . . . . A 36 SER HB2 . 30325 1 395 . 1 1 36 36 SER HB3 H 1 3.793 0.006 . 1 . . . . A 36 SER HB3 . 30325 1 396 . 1 1 36 36 SER CA C 13 60.812 0.02 . 1 . . . . A 36 SER CA . 30325 1 397 . 1 1 36 36 SER CB C 13 62.715 0.2 . 1 . . . . A 36 SER CB . 30325 1 398 . 1 1 36 36 SER N N 15 114.707 0.003 . 1 . . . . A 36 SER N . 30325 1 399 . 1 1 37 37 HIS H H 1 7.824 0.005 . 1 . . . . A 37 HIS H . 30325 1 400 . 1 1 37 37 HIS HA H 1 4.113 0.002 . 1 . . . . A 37 HIS HA . 30325 1 401 . 1 1 37 37 HIS HB2 H 1 3.154 0.009 . 1 . . . . A 37 HIS HB2 . 30325 1 402 . 1 1 37 37 HIS HB3 H 1 2.216 0.014 . 1 . . . . A 37 HIS HB3 . 30325 1 403 . 1 1 37 37 HIS CA C 13 58.107 0.005 . 1 . . . . A 37 HIS CA . 30325 1 404 . 1 1 37 37 HIS CB C 13 30.229 0.18 . 1 . . . . A 37 HIS CB . 30325 1 405 . 1 1 37 37 HIS N N 15 118.504 0.019 . 1 . . . . A 37 HIS N . 30325 1 406 . 1 1 38 38 TYR H H 1 7.794 0.004 . 1 . . . . A 38 TYR H . 30325 1 407 . 1 1 38 38 TYR HA H 1 5.447 0.02 . 1 . . . . A 38 TYR HA . 30325 1 408 . 1 1 38 38 TYR HB2 H 1 3.018 0.02 . 1 . . . . A 38 TYR HB2 . 30325 1 409 . 1 1 38 38 TYR HB3 H 1 2.513 0.02 . 1 . . . . A 38 TYR HB3 . 30325 1 410 . 1 1 38 38 TYR HD1 H 1 6.799 0.02 . 1 . . . . A 38 TYR HD1 . 30325 1 411 . 1 1 38 38 TYR HD2 H 1 6.799 0.02 . 1 . . . . A 38 TYR HD2 . 30325 1 412 . 1 1 38 38 TYR HE1 H 1 6.246 0.02 . 1 . . . . A 38 TYR HE1 . 30325 1 413 . 1 1 38 38 TYR HE2 H 1 6.246 0.02 . 1 . . . . A 38 TYR HE2 . 30325 1 414 . 1 1 38 38 TYR CA C 13 56.667 0.005 . 1 . . . . A 38 TYR CA . 30325 1 415 . 1 1 38 38 TYR CB C 13 41.741 0.091 . 1 . . . . A 38 TYR CB . 30325 1 416 . 1 1 38 38 TYR CD1 C 13 134.015 0.042 . 1 . . . . A 38 TYR CD1 . 30325 1 417 . 1 1 38 38 TYR CD2 C 13 134.015 0.042 . 1 . . . . A 38 TYR CD2 . 30325 1 418 . 1 1 38 38 TYR CE1 C 13 118.231 0.2 . 1 . . . . A 38 TYR CE1 . 30325 1 419 . 1 1 38 38 TYR CE2 C 13 118.231 0.2 . 1 . . . . A 38 TYR CE2 . 30325 1 420 . 1 1 38 38 TYR N N 15 117.851 0.021 . 1 . . . . A 38 TYR N . 30325 1 421 . 1 1 39 39 SER H H 1 9.182 0.004 . 1 . . . . A 39 SER H . 30325 1 422 . 1 1 39 39 SER HA H 1 4.837 0.02 . 1 . . . . A 39 SER HA . 30325 1 423 . 1 1 39 39 SER HB2 H 1 3.878 0.02 . 1 . . . . A 39 SER HB2 . 30325 1 424 . 1 1 39 39 SER HB3 H 1 3.878 0.02 . 1 . . . . A 39 SER HB3 . 30325 1 425 . 1 1 39 39 SER CA C 13 57.581 0.008 . 1 . . . . A 39 SER CA . 30325 1 426 . 1 1 39 39 SER CB C 13 65.933 0.019 . 1 . . . . A 39 SER CB . 30325 1 427 . 1 1 39 39 SER N N 15 114.795 0.017 . 1 . . . . A 39 SER N . 30325 1 428 . 1 1 40 40 GLY H H 1 8.792 0.02 . 1 . . . . A 40 GLY H . 30325 1 429 . 1 1 40 40 GLY HA2 H 1 3.861 0.02 . 1 . . . . A 40 GLY HA2 . 30325 1 430 . 1 1 40 40 GLY HA3 H 1 3.736 0.006 . 1 . . . . A 40 GLY HA3 . 30325 1 431 . 1 1 40 40 GLY CA C 13 47.153 0.021 . 1 . . . . A 40 GLY CA . 30325 1 432 . 1 1 40 40 GLY N N 15 107.72 0.002 . 1 . . . . A 40 GLY N . 30325 1 433 . 1 1 41 41 TYR H H 1 8.212 0.003 . 1 . . . . A 41 TYR H . 30325 1 434 . 1 1 41 41 TYR HA H 1 5.223 0.001 . 1 . . . . A 41 TYR HA . 30325 1 435 . 1 1 41 41 TYR HB2 H 1 2.87 0.014 . 1 . . . . A 41 TYR HB2 . 30325 1 436 . 1 1 41 41 TYR HB3 H 1 2.678 0.001 . 1 . . . . A 41 TYR HB3 . 30325 1 437 . 1 1 41 41 TYR HD1 H 1 6.957 0.004 . 1 . . . . A 41 TYR HD1 . 30325 1 438 . 1 1 41 41 TYR HD2 H 1 6.957 0.004 . 1 . . . . A 41 TYR HD2 . 30325 1 439 . 1 1 41 41 TYR HE1 H 1 6.725 0.02 . 1 . . . . A 41 TYR HE1 . 30325 1 440 . 1 1 41 41 TYR HE2 H 1 6.725 0.02 . 1 . . . . A 41 TYR HE2 . 30325 1 441 . 1 1 41 41 TYR CA C 13 59.504 0.006 . 1 . . . . A 41 TYR CA . 30325 1 442 . 1 1 41 41 TYR CB C 13 39.158 0.025 . 1 . . . . A 41 TYR CB . 30325 1 443 . 1 1 41 41 TYR CD1 C 13 133.022 0.009 . 1 . . . . A 41 TYR CD1 . 30325 1 444 . 1 1 41 41 TYR CD2 C 13 133.022 0.009 . 1 . . . . A 41 TYR CD2 . 30325 1 445 . 1 1 41 41 TYR CE1 C 13 117.458 0.2 . 1 . . . . A 41 TYR CE1 . 30325 1 446 . 1 1 41 41 TYR CE2 C 13 117.458 0.2 . 1 . . . . A 41 TYR CE2 . 30325 1 447 . 1 1 41 41 TYR N N 15 119.463 0.013 . 1 . . . . A 41 TYR N . 30325 1 448 . 1 1 42 42 GLN H H 1 8.534 0.006 . 1 . . . . A 42 GLN H . 30325 1 449 . 1 1 42 42 GLN HA H 1 4.289 0.02 . 1 . . . . A 42 GLN HA . 30325 1 450 . 1 1 42 42 GLN HB2 H 1 1.769 0.001 . 1 . . . . A 42 GLN HB2 . 30325 1 451 . 1 1 42 42 GLN HB3 H 1 1.769 0.001 . 1 . . . . A 42 GLN HB3 . 30325 1 452 . 1 1 42 42 GLN HG2 H 1 2.104 0.02 . 1 . . . . A 42 GLN HG2 . 30325 1 453 . 1 1 42 42 GLN HG3 H 1 2.104 0.02 . 1 . . . . A 42 GLN HG3 . 30325 1 454 . 1 1 42 42 GLN HE21 H 1 7.291 0.02 . 1 . . . . A 42 GLN HE21 . 30325 1 455 . 1 1 42 42 GLN HE22 H 1 6.684 0.002 . 1 . . . . A 42 GLN HE22 . 30325 1 456 . 1 1 42 42 GLN CA C 13 55.479 0.092 . 1 . . . . A 42 GLN CA . 30325 1 457 . 1 1 42 42 GLN CB C 13 32.826 0.006 . 1 . . . . A 42 GLN CB . 30325 1 458 . 1 1 42 42 GLN CG C 13 33.567 0.004 . 1 . . . . A 42 GLN CG . 30325 1 459 . 1 1 42 42 GLN N N 15 126.643 0.019 . 1 . . . . A 42 GLN N . 30325 1 460 . 1 1 42 42 GLN NE2 N 15 111.194 0.009 . 1 . . . . A 42 GLN NE2 . 30325 1 461 . 1 1 43 43 VAL H H 1 8.767 0.002 . 1 . . . . A 43 VAL H . 30325 1 462 . 1 1 43 43 VAL HA H 1 3.859 0.001 . 1 . . . . A 43 VAL HA . 30325 1 463 . 1 1 43 43 VAL HB H 1 1.97 0.004 . 1 . . . . A 43 VAL HB . 30325 1 464 . 1 1 43 43 VAL HG11 H 1 0.95 0.003 . 1 . . . . A 43 VAL HG11 . 30325 1 465 . 1 1 43 43 VAL HG12 H 1 0.95 0.003 . 1 . . . . A 43 VAL HG12 . 30325 1 466 . 1 1 43 43 VAL HG13 H 1 0.95 0.003 . 1 . . . . A 43 VAL HG13 . 30325 1 467 . 1 1 43 43 VAL HG21 H 1 0.67 0.02 . 1 . . . . A 43 VAL HG21 . 30325 1 468 . 1 1 43 43 VAL HG22 H 1 0.67 0.02 . 1 . . . . A 43 VAL HG22 . 30325 1 469 . 1 1 43 43 VAL HG23 H 1 0.67 0.02 . 1 . . . . A 43 VAL HG23 . 30325 1 470 . 1 1 43 43 VAL CA C 13 63.41 0.007 . 1 . . . . A 43 VAL CA . 30325 1 471 . 1 1 43 43 VAL CB C 13 32.041 0.043 . 1 . . . . A 43 VAL CB . 30325 1 472 . 1 1 43 43 VAL CG1 C 13 23.509 0.011 . 1 . . . . A 43 VAL CG1 . 30325 1 473 . 1 1 43 43 VAL CG2 C 13 22.677 0.002 . 1 . . . . A 43 VAL CG2 . 30325 1 474 . 1 1 43 43 VAL N N 15 124.1 0.005 . 1 . . . . A 43 VAL N . 30325 1 475 . 1 1 44 44 LEU H H 1 9.04 0.004 . 1 . . . . A 44 LEU H . 30325 1 476 . 1 1 44 44 LEU HA H 1 4.316 0.02 . 1 . . . . A 44 LEU HA . 30325 1 477 . 1 1 44 44 LEU HB2 H 1 1.482 0.004 . 1 . . . . A 44 LEU HB2 . 30325 1 478 . 1 1 44 44 LEU HB3 H 1 1.359 0.02 . 1 . . . . A 44 LEU HB3 . 30325 1 479 . 1 1 44 44 LEU HG H 1 1.338 0.003 . 1 . . . . A 44 LEU HG . 30325 1 480 . 1 1 44 44 LEU HD11 H 1 0.675 0.02 . 1 . . . . A 44 LEU HD11 . 30325 1 481 . 1 1 44 44 LEU HD12 H 1 0.675 0.02 . 1 . . . . A 44 LEU HD12 . 30325 1 482 . 1 1 44 44 LEU HD13 H 1 0.675 0.02 . 1 . . . . A 44 LEU HD13 . 30325 1 483 . 1 1 44 44 LEU HD21 H 1 0.638 0.003 . 1 . . . . A 44 LEU HD21 . 30325 1 484 . 1 1 44 44 LEU HD22 H 1 0.638 0.003 . 1 . . . . A 44 LEU HD22 . 30325 1 485 . 1 1 44 44 LEU HD23 H 1 0.638 0.003 . 1 . . . . A 44 LEU HD23 . 30325 1 486 . 1 1 44 44 LEU CA C 13 55.818 0.2 . 1 . . . . A 44 LEU CA . 30325 1 487 . 1 1 44 44 LEU CB C 13 42.55 0.073 . 1 . . . . A 44 LEU CB . 30325 1 488 . 1 1 44 44 LEU CG C 13 27.374 0.027 . 1 . . . . A 44 LEU CG . 30325 1 489 . 1 1 44 44 LEU CD1 C 13 25.279 0.02 . 1 . . . . A 44 LEU CD1 . 30325 1 490 . 1 1 44 44 LEU CD2 C 13 22.069 0.01 . 1 . . . . A 44 LEU CD2 . 30325 1 491 . 1 1 44 44 LEU N N 15 128.733 0.009 . 1 . . . . A 44 LEU N . 30325 1 492 . 1 1 45 45 GLU H H 1 7.937 0.002 . 1 . . . . A 45 GLU H . 30325 1 493 . 1 1 45 45 GLU HA H 1 4.499 0.02 . 1 . . . . A 45 GLU HA . 30325 1 494 . 1 1 45 45 GLU HB2 H 1 1.989 0.001 . 1 . . . . A 45 GLU HB2 . 30325 1 495 . 1 1 45 45 GLU HB3 H 1 1.724 0.001 . 1 . . . . A 45 GLU HB3 . 30325 1 496 . 1 1 45 45 GLU HG2 H 1 2.17 0.001 . 1 . . . . A 45 GLU HG2 . 30325 1 497 . 1 1 45 45 GLU HG3 H 1 2.028 0.02 . 1 . . . . A 45 GLU HG3 . 30325 1 498 . 1 1 45 45 GLU CA C 13 55.006 0.2 . 1 . . . . A 45 GLU CA . 30325 1 499 . 1 1 45 45 GLU CB C 13 33.87 0.011 . 1 . . . . A 45 GLU CB . 30325 1 500 . 1 1 45 45 GLU CG C 13 35.793 0.016 . 1 . . . . A 45 GLU CG . 30325 1 501 . 1 1 45 45 GLU N N 15 116.975 0.008 . 1 . . . . A 45 GLU N . 30325 1 502 . 1 1 46 46 GLY H H 1 8.829 0.001 . 1 . . . . A 46 GLY H . 30325 1 503 . 1 1 46 46 GLY HA2 H 1 3.702 0.001 . 1 . . . . A 46 GLY HA2 . 30325 1 504 . 1 1 46 46 GLY HA3 H 1 3.582 0.02 . 1 . . . . A 46 GLY HA3 . 30325 1 505 . 1 1 46 46 GLY CA C 13 47.339 0.034 . 1 . . . . A 46 GLY CA . 30325 1 506 . 1 1 46 46 GLY N N 15 110.907 0.006 . 1 . . . . A 46 GLY N . 30325 1 507 . 1 1 47 47 GLY H H 1 8.233 0.002 . 1 . . . . A 47 GLY H . 30325 1 508 . 1 1 47 47 GLY HA2 H 1 4.673 0.004 . 1 . . . . A 47 GLY HA2 . 30325 1 509 . 1 1 47 47 GLY HA3 H 1 3.342 0.002 . 1 . . . . A 47 GLY HA3 . 30325 1 510 . 1 1 47 47 GLY CA C 13 46.756 0.024 . 1 . . . . A 47 GLY CA . 30325 1 511 . 1 1 47 47 GLY N N 15 114.374 0.008 . 1 . . . . A 47 GLY N . 30325 1 512 . 1 1 48 48 GLN H H 1 7.94 0.02 . 1 . . . . A 48 GLN H . 30325 1 513 . 1 1 48 48 GLN HA H 1 5.242 0.006 . 1 . . . . A 48 GLN HA . 30325 1 514 . 1 1 48 48 GLN HB2 H 1 1.939 0.02 . 1 . . . . A 48 GLN HB2 . 30325 1 515 . 1 1 48 48 GLN HB3 H 1 1.855 0.02 . 1 . . . . A 48 GLN HB3 . 30325 1 516 . 1 1 48 48 GLN HG2 H 1 2.238 0.02 . 1 . . . . A 48 GLN HG2 . 30325 1 517 . 1 1 48 48 GLN HG3 H 1 2.238 0.02 . 1 . . . . A 48 GLN HG3 . 30325 1 518 . 1 1 48 48 GLN HE21 H 1 7.463 0.001 . 1 . . . . A 48 GLN HE21 . 30325 1 519 . 1 1 48 48 GLN HE22 H 1 6.731 0.005 . 1 . . . . A 48 GLN HE22 . 30325 1 520 . 1 1 48 48 GLN CA C 13 53.365 0.058 . 1 . . . . A 48 GLN CA . 30325 1 521 . 1 1 48 48 GLN CB C 13 29.229 0.039 . 1 . . . . A 48 GLN CB . 30325 1 522 . 1 1 48 48 GLN CG C 13 33.023 0.2 . 1 . . . . A 48 GLN CG . 30325 1 523 . 1 1 48 48 GLN N N 15 119.954 0.014 . 1 . . . . A 48 GLN N . 30325 1 524 . 1 1 48 48 GLN NE2 N 15 111.916 0.015 . 1 . . . . A 48 GLN NE2 . 30325 1 525 . 1 1 49 49 GLY H H 1 9.22 0.001 . 1 . . . . A 49 GLY H . 30325 1 526 . 1 1 49 49 GLY HA2 H 1 4.093 0.02 . 1 . . . . A 49 GLY HA2 . 30325 1 527 . 1 1 49 49 GLY HA3 H 1 3.268 0.02 . 1 . . . . A 49 GLY HA3 . 30325 1 528 . 1 1 49 49 GLY CA C 13 45.838 0.019 . 1 . . . . A 49 GLY CA . 30325 1 529 . 1 1 49 49 GLY N N 15 109.322 0.009 . 1 . . . . A 49 GLY N . 30325 1 530 . 1 1 50 50 ALA H H 1 8.76 0.02 . 1 . . . . A 50 ALA H . 30325 1 531 . 1 1 50 50 ALA HA H 1 3.872 0.02 . 1 . . . . A 50 ALA HA . 30325 1 532 . 1 1 50 50 ALA HB1 H 1 1.579 0.02 . 1 . . . . A 50 ALA HB1 . 30325 1 533 . 1 1 50 50 ALA HB2 H 1 1.579 0.02 . 1 . . . . A 50 ALA HB2 . 30325 1 534 . 1 1 50 50 ALA HB3 H 1 1.579 0.02 . 1 . . . . A 50 ALA HB3 . 30325 1 535 . 1 1 50 50 ALA CA C 13 53.65 0.002 . 1 . . . . A 50 ALA CA . 30325 1 536 . 1 1 50 50 ALA CB C 13 19.127 0.004 . 1 . . . . A 50 ALA CB . 30325 1 537 . 1 1 50 50 ALA N N 15 125.452 0.005 . 1 . . . . A 50 ALA N . 30325 1 538 . 1 1 51 51 GLY H H 1 8.568 0.001 . 1 . . . . A 51 GLY H . 30325 1 539 . 1 1 51 51 GLY HA2 H 1 4.334 0.002 . 1 . . . . A 51 GLY HA2 . 30325 1 540 . 1 1 51 51 GLY HA3 H 1 3.53 0.006 . 1 . . . . A 51 GLY HA3 . 30325 1 541 . 1 1 51 51 GLY CA C 13 44.47 0.055 . 1 . . . . A 51 GLY CA . 30325 1 542 . 1 1 51 51 GLY N N 15 110.541 0.003 . 1 . . . . A 51 GLY N . 30325 1 543 . 1 1 52 52 THR H H 1 7.506 0.001 . 1 . . . . A 52 THR H . 30325 1 544 . 1 1 52 52 THR HA H 1 4.364 0.001 . 1 . . . . A 52 THR HA . 30325 1 545 . 1 1 52 52 THR HB H 1 3.426 0.014 . 1 . . . . A 52 THR HB . 30325 1 546 . 1 1 52 52 THR HG21 H 1 0.77 0.001 . 1 . . . . A 52 THR HG21 . 30325 1 547 . 1 1 52 52 THR HG22 H 1 0.77 0.001 . 1 . . . . A 52 THR HG22 . 30325 1 548 . 1 1 52 52 THR HG23 H 1 0.77 0.001 . 1 . . . . A 52 THR HG23 . 30325 1 549 . 1 1 52 52 THR CA C 13 64.572 0.014 . 1 . . . . A 52 THR CA . 30325 1 550 . 1 1 52 52 THR CB C 13 69.11 0.007 . 1 . . . . A 52 THR CB . 30325 1 551 . 1 1 52 52 THR CG2 C 13 20.13 0.002 . 1 . . . . A 52 THR CG2 . 30325 1 552 . 1 1 52 52 THR N N 15 118.291 0.011 . 1 . . . . A 52 THR N . 30325 1 553 . 1 1 53 53 VAL H H 1 8.192 0.003 . 1 . . . . A 53 VAL H . 30325 1 554 . 1 1 53 53 VAL HA H 1 5.078 0.002 . 1 . . . . A 53 VAL HA . 30325 1 555 . 1 1 53 53 VAL HB H 1 1.609 0.01 . 1 . . . . A 53 VAL HB . 30325 1 556 . 1 1 53 53 VAL HG11 H 1 0.639 0.003 . 1 . . . . A 53 VAL HG11 . 30325 1 557 . 1 1 53 53 VAL HG12 H 1 0.639 0.003 . 1 . . . . A 53 VAL HG12 . 30325 1 558 . 1 1 53 53 VAL HG13 H 1 0.639 0.003 . 1 . . . . A 53 VAL HG13 . 30325 1 559 . 1 1 53 53 VAL HG21 H 1 0.833 0.01 . 1 . . . . A 53 VAL HG21 . 30325 1 560 . 1 1 53 53 VAL HG22 H 1 0.833 0.01 . 1 . . . . A 53 VAL HG22 . 30325 1 561 . 1 1 53 53 VAL HG23 H 1 0.833 0.01 . 1 . . . . A 53 VAL HG23 . 30325 1 562 . 1 1 53 53 VAL CA C 13 60.964 0.008 . 1 . . . . A 53 VAL CA . 30325 1 563 . 1 1 53 53 VAL CB C 13 34.176 0.013 . 1 . . . . A 53 VAL CB . 30325 1 564 . 1 1 53 53 VAL CG1 C 13 20.787 0.014 . 1 . . . . A 53 VAL CG1 . 30325 1 565 . 1 1 53 53 VAL CG2 C 13 20.514 0.065 . 1 . . . . A 53 VAL CG2 . 30325 1 566 . 1 1 53 53 VAL N N 15 125.736 0.016 . 1 . . . . A 53 VAL N . 30325 1 567 . 1 1 54 54 ALA H H 1 9.005 0.003 . 1 . . . . A 54 ALA H . 30325 1 568 . 1 1 54 54 ALA HA H 1 5.026 0.02 . 1 . . . . A 54 ALA HA . 30325 1 569 . 1 1 54 54 ALA HB1 H 1 1.318 0.02 . 1 . . . . A 54 ALA HB1 . 30325 1 570 . 1 1 54 54 ALA HB2 H 1 1.318 0.02 . 1 . . . . A 54 ALA HB2 . 30325 1 571 . 1 1 54 54 ALA HB3 H 1 1.318 0.02 . 1 . . . . A 54 ALA HB3 . 30325 1 572 . 1 1 54 54 ALA CA C 13 50.312 0.001 . 1 . . . . A 54 ALA CA . 30325 1 573 . 1 1 54 54 ALA CB C 13 22.75 0.001 . 1 . . . . A 54 ALA CB . 30325 1 574 . 1 1 54 54 ALA N N 15 130.446 0.034 . 1 . . . . A 54 ALA N . 30325 1 575 . 1 1 55 55 THR H H 1 8.878 0.001 . 1 . . . . A 55 THR H . 30325 1 576 . 1 1 55 55 THR HA H 1 5.132 0.002 . 1 . . . . A 55 THR HA . 30325 1 577 . 1 1 55 55 THR HB H 1 3.74 0.003 . 1 . . . . A 55 THR HB . 30325 1 578 . 1 1 55 55 THR HG21 H 1 1.048 0.001 . 1 . . . . A 55 THR HG21 . 30325 1 579 . 1 1 55 55 THR HG22 H 1 1.048 0.001 . 1 . . . . A 55 THR HG22 . 30325 1 580 . 1 1 55 55 THR HG23 H 1 1.048 0.001 . 1 . . . . A 55 THR HG23 . 30325 1 581 . 1 1 55 55 THR CA C 13 57.2 0.004 . 1 . . . . A 55 THR CA . 30325 1 582 . 1 1 55 55 THR CB C 13 71.874 0.006 . 1 . . . . A 55 THR CB . 30325 1 583 . 1 1 55 55 THR CG2 C 13 19.544 0.003 . 1 . . . . A 55 THR CG2 . 30325 1 584 . 1 1 55 55 THR N N 15 112.999 0.006 . 1 . . . . A 55 THR N . 30325 1 585 . 1 1 56 56 TRP H H 1 7.943 0.012 . 1 . . . . A 56 TRP H . 30325 1 586 . 1 1 56 56 TRP HA H 1 4.808 0.02 . 1 . . . . A 56 TRP HA . 30325 1 587 . 1 1 56 56 TRP HB2 H 1 4.157 0.02 . 1 . . . . A 56 TRP HB2 . 30325 1 588 . 1 1 56 56 TRP HB3 H 1 3.229 0.02 . 1 . . . . A 56 TRP HB3 . 30325 1 589 . 1 1 56 56 TRP CA C 13 57.157 0.016 . 1 . . . . A 56 TRP CA . 30325 1 590 . 1 1 56 56 TRP CB C 13 30.131 0.068 . 1 . . . . A 56 TRP CB . 30325 1 591 . 1 1 56 56 TRP N N 15 117.749 0.029 . 1 . . . . A 56 TRP N . 30325 1 592 . 1 1 57 57 LYS H H 1 9.271 0.004 . 1 . . . . A 57 LYS H . 30325 1 593 . 1 1 57 57 LYS HA H 1 5.212 0.02 . 1 . . . . A 57 LYS HA . 30325 1 594 . 1 1 57 57 LYS HB2 H 1 1.778 0.02 . 1 . . . . A 57 LYS HB2 . 30325 1 595 . 1 1 57 57 LYS HB3 H 1 1.389 0.02 . 1 . . . . A 57 LYS HB3 . 30325 1 596 . 1 1 57 57 LYS HG2 H 1 1.345 0.02 . 1 . . . . A 57 LYS HG2 . 30325 1 597 . 1 1 57 57 LYS HG3 H 1 1.286 0.02 . 1 . . . . A 57 LYS HG3 . 30325 1 598 . 1 1 57 57 LYS HD2 H 1 1.475 0.02 . 1 . . . . A 57 LYS HD2 . 30325 1 599 . 1 1 57 57 LYS HD3 H 1 1.475 0.02 . 1 . . . . A 57 LYS HD3 . 30325 1 600 . 1 1 57 57 LYS HE2 H 1 2.833 0.02 . 1 . . . . A 57 LYS HE2 . 30325 1 601 . 1 1 57 57 LYS HE3 H 1 2.833 0.02 . 1 . . . . A 57 LYS HE3 . 30325 1 602 . 1 1 57 57 LYS CA C 13 54.892 0.033 . 1 . . . . A 57 LYS CA . 30325 1 603 . 1 1 57 57 LYS CB C 13 33.259 0.08 . 1 . . . . A 57 LYS CB . 30325 1 604 . 1 1 57 57 LYS CG C 13 25.326 0.057 . 1 . . . . A 57 LYS CG . 30325 1 605 . 1 1 57 57 LYS CD C 13 29.285 0.052 . 1 . . . . A 57 LYS CD . 30325 1 606 . 1 1 57 57 LYS CE C 13 42.121 0.2 . 1 . . . . A 57 LYS CE . 30325 1 607 . 1 1 57 57 LYS N N 15 118.584 0.024 . 1 . . . . A 57 LYS N . 30325 1 608 . 1 1 58 58 LEU H H 1 9.092 0.005 . 1 . . . . A 58 LEU H . 30325 1 609 . 1 1 58 58 LEU HA H 1 4.773 0.002 . 1 . . . . A 58 LEU HA . 30325 1 610 . 1 1 58 58 LEU HB2 H 1 1.73 0.02 . 1 . . . . A 58 LEU HB2 . 30325 1 611 . 1 1 58 58 LEU HB3 H 1 1.139 0.02 . 1 . . . . A 58 LEU HB3 . 30325 1 612 . 1 1 58 58 LEU HG H 1 1.099 0.02 . 1 . . . . A 58 LEU HG . 30325 1 613 . 1 1 58 58 LEU HD11 H 1 0.555 0.02 . 1 . . . . A 58 LEU HD11 . 30325 1 614 . 1 1 58 58 LEU HD12 H 1 0.555 0.02 . 1 . . . . A 58 LEU HD12 . 30325 1 615 . 1 1 58 58 LEU HD13 H 1 0.555 0.02 . 1 . . . . A 58 LEU HD13 . 30325 1 616 . 1 1 58 58 LEU HD21 H 1 0.094 0.02 . 1 . . . . A 58 LEU HD21 . 30325 1 617 . 1 1 58 58 LEU HD22 H 1 0.094 0.02 . 1 . . . . A 58 LEU HD22 . 30325 1 618 . 1 1 58 58 LEU HD23 H 1 0.094 0.02 . 1 . . . . A 58 LEU HD23 . 30325 1 619 . 1 1 58 58 LEU CA C 13 53.123 0.032 . 1 . . . . A 58 LEU CA . 30325 1 620 . 1 1 58 58 LEU CB C 13 45.99 0.003 . 1 . . . . A 58 LEU CB . 30325 1 621 . 1 1 58 58 LEU CG C 13 27.23 0.2 . 1 . . . . A 58 LEU CG . 30325 1 622 . 1 1 58 58 LEU CD1 C 13 25.179 0.2 . 1 . . . . A 58 LEU CD1 . 30325 1 623 . 1 1 58 58 LEU CD2 C 13 22.323 0.2 . 1 . . . . A 58 LEU CD2 . 30325 1 624 . 1 1 58 58 LEU N N 15 125.049 0.024 . 1 . . . . A 58 LEU N . 30325 1 625 . 1 1 59 59 GLN H H 1 9.004 0.002 . 1 . . . . A 59 GLN H . 30325 1 626 . 1 1 59 59 GLN HA H 1 4.635 0.001 . 1 . . . . A 59 GLN HA . 30325 1 627 . 1 1 59 59 GLN HB2 H 1 2.16 0.004 . 1 . . . . A 59 GLN HB2 . 30325 1 628 . 1 1 59 59 GLN HB3 H 1 1.806 0.005 . 1 . . . . A 59 GLN HB3 . 30325 1 629 . 1 1 59 59 GLN HG2 H 1 2.147 0.001 . 1 . . . . A 59 GLN HG2 . 30325 1 630 . 1 1 59 59 GLN HG3 H 1 2.147 0.001 . 1 . . . . A 59 GLN HG3 . 30325 1 631 . 1 1 59 59 GLN HE21 H 1 7.341 0.02 . 1 . . . . A 59 GLN HE21 . 30325 1 632 . 1 1 59 59 GLN HE22 H 1 6.706 0.002 . 1 . . . . A 59 GLN HE22 . 30325 1 633 . 1 1 59 59 GLN CA C 13 54.626 0.009 . 1 . . . . A 59 GLN CA . 30325 1 634 . 1 1 59 59 GLN CB C 13 28.786 0.044 . 1 . . . . A 59 GLN CB . 30325 1 635 . 1 1 59 59 GLN CG C 13 33.902 0.002 . 1 . . . . A 59 GLN CG . 30325 1 636 . 1 1 59 59 GLN N N 15 129.186 0.011 . 1 . . . . A 59 GLN N . 30325 1 637 . 1 1 59 59 GLN NE2 N 15 112.204 0.006 . 1 . . . . A 59 GLN NE2 . 30325 1 638 . 1 1 60 60 ALA H H 1 8.369 0.003 . 1 . . . . A 60 ALA H . 30325 1 639 . 1 1 60 60 ALA HA H 1 4.099 0.001 . 1 . . . . A 60 ALA HA . 30325 1 640 . 1 1 60 60 ALA HB1 H 1 1.092 0.02 . 1 . . . . A 60 ALA HB1 . 30325 1 641 . 1 1 60 60 ALA HB2 H 1 1.092 0.02 . 1 . . . . A 60 ALA HB2 . 30325 1 642 . 1 1 60 60 ALA HB3 H 1 1.092 0.02 . 1 . . . . A 60 ALA HB3 . 30325 1 643 . 1 1 60 60 ALA CA C 13 53.437 0.019 . 1 . . . . A 60 ALA CA . 30325 1 644 . 1 1 60 60 ALA CB C 13 19.619 0.009 . 1 . . . . A 60 ALA CB . 30325 1 645 . 1 1 60 60 ALA N N 15 128.834 0.016 . 1 . . . . A 60 ALA N . 30325 1 646 . 1 1 61 61 THR H H 1 7.903 0.001 . 1 . . . . A 61 THR H . 30325 1 647 . 1 1 61 61 THR HA H 1 4.379 0.02 . 1 . . . . A 61 THR HA . 30325 1 648 . 1 1 61 61 THR HB H 1 4.355 0.02 . 1 . . . . A 61 THR HB . 30325 1 649 . 1 1 61 61 THR HG21 H 1 1.143 0.001 . 1 . . . . A 61 THR HG21 . 30325 1 650 . 1 1 61 61 THR HG22 H 1 1.143 0.001 . 1 . . . . A 61 THR HG22 . 30325 1 651 . 1 1 61 61 THR HG23 H 1 1.143 0.001 . 1 . . . . A 61 THR HG23 . 30325 1 652 . 1 1 61 61 THR CA C 13 60.343 0.004 . 1 . . . . A 61 THR CA . 30325 1 653 . 1 1 61 61 THR CB C 13 71.266 0.008 . 1 . . . . A 61 THR CB . 30325 1 654 . 1 1 61 61 THR CG2 C 13 22.204 0.004 . 1 . . . . A 61 THR CG2 . 30325 1 655 . 1 1 61 61 THR N N 15 108.828 0.007 . 1 . . . . A 61 THR N . 30325 1 656 . 1 1 62 62 LYS H H 1 8.618 0.001 . 1 . . . . A 62 LYS H . 30325 1 657 . 1 1 62 62 LYS HA H 1 3.914 0.02 . 1 . . . . A 62 LYS HA . 30325 1 658 . 1 1 62 62 LYS HB2 H 1 1.796 0.02 . 1 . . . . A 62 LYS HB2 . 30325 1 659 . 1 1 62 62 LYS HB3 H 1 1.796 0.02 . 1 . . . . A 62 LYS HB3 . 30325 1 660 . 1 1 62 62 LYS HG2 H 1 1.388 0.008 . 1 . . . . A 62 LYS HG2 . 30325 1 661 . 1 1 62 62 LYS HG3 H 1 1.388 0.008 . 1 . . . . A 62 LYS HG3 . 30325 1 662 . 1 1 62 62 LYS HD2 H 1 1.595 0.004 . 1 . . . . A 62 LYS HD2 . 30325 1 663 . 1 1 62 62 LYS HD3 H 1 1.595 0.004 . 1 . . . . A 62 LYS HD3 . 30325 1 664 . 1 1 62 62 LYS HE2 H 1 2.907 0.02 . 1 . . . . A 62 LYS HE2 . 30325 1 665 . 1 1 62 62 LYS HE3 H 1 2.907 0.02 . 1 . . . . A 62 LYS HE3 . 30325 1 666 . 1 1 62 62 LYS CA C 13 58.644 0.004 . 1 . . . . A 62 LYS CA . 30325 1 667 . 1 1 62 62 LYS CB C 13 31.812 0.01 . 1 . . . . A 62 LYS CB . 30325 1 668 . 1 1 62 62 LYS CG C 13 24.995 0.01 . 1 . . . . A 62 LYS CG . 30325 1 669 . 1 1 62 62 LYS CD C 13 29.069 0.028 . 1 . . . . A 62 LYS CD . 30325 1 670 . 1 1 62 62 LYS CE C 13 42.182 0.2 . 1 . . . . A 62 LYS CE . 30325 1 671 . 1 1 62 62 LYS N N 15 119.355 0.013 . 1 . . . . A 62 LYS N . 30325 1 672 . 1 1 63 63 SER H H 1 7.934 0.002 . 1 . . . . A 63 SER H . 30325 1 673 . 1 1 63 63 SER HA H 1 4.422 0.02 . 1 . . . . A 63 SER HA . 30325 1 674 . 1 1 63 63 SER HB2 H 1 3.813 0.02 . 1 . . . . A 63 SER HB2 . 30325 1 675 . 1 1 63 63 SER HB3 H 1 3.746 0.002 . 1 . . . . A 63 SER HB3 . 30325 1 676 . 1 1 63 63 SER CA C 13 58.342 0.01 . 1 . . . . A 63 SER CA . 30325 1 677 . 1 1 63 63 SER CB C 13 64.305 0.007 . 1 . . . . A 63 SER CB . 30325 1 678 . 1 1 63 63 SER N N 15 110.827 0.025 . 1 . . . . A 63 SER N . 30325 1 679 . 1 1 64 64 ARG H H 1 7.59 0.001 . 1 . . . . A 64 ARG H . 30325 1 680 . 1 1 64 64 ARG HA H 1 4.492 0.001 . 1 . . . . A 64 ARG HA . 30325 1 681 . 1 1 64 64 ARG HB2 H 1 1.624 0.02 . 1 . . . . A 64 ARG HB2 . 30325 1 682 . 1 1 64 64 ARG HB3 H 1 1.583 0.008 . 1 . . . . A 64 ARG HB3 . 30325 1 683 . 1 1 64 64 ARG HG2 H 1 1.4 0.02 . 1 . . . . A 64 ARG HG2 . 30325 1 684 . 1 1 64 64 ARG HG3 H 1 1.4 0.02 . 1 . . . . A 64 ARG HG3 . 30325 1 685 . 1 1 64 64 ARG HD2 H 1 2.991 0.022 . 1 . . . . A 64 ARG HD2 . 30325 1 686 . 1 1 64 64 ARG HD3 H 1 2.991 0.022 . 1 . . . . A 64 ARG HD3 . 30325 1 687 . 1 1 64 64 ARG CA C 13 55.494 0.007 . 1 . . . . A 64 ARG CA . 30325 1 688 . 1 1 64 64 ARG CB C 13 31.585 0.008 . 1 . . . . A 64 ARG CB . 30325 1 689 . 1 1 64 64 ARG CG C 13 27.044 0.007 . 1 . . . . A 64 ARG CG . 30325 1 690 . 1 1 64 64 ARG CD C 13 43.328 0.022 . 1 . . . . A 64 ARG CD . 30325 1 691 . 1 1 64 64 ARG N N 15 122.545 0.009 . 1 . . . . A 64 ARG N . 30325 1 692 . 1 1 65 65 VAL H H 1 8.268 0.002 . 1 . . . . A 65 VAL H . 30325 1 693 . 1 1 65 65 VAL HA H 1 4.561 0.004 . 1 . . . . A 65 VAL HA . 30325 1 694 . 1 1 65 65 VAL HB H 1 1.829 0.001 . 1 . . . . A 65 VAL HB . 30325 1 695 . 1 1 65 65 VAL HG11 H 1 0.763 0.003 . 1 . . . . A 65 VAL HG11 . 30325 1 696 . 1 1 65 65 VAL HG12 H 1 0.763 0.003 . 1 . . . . A 65 VAL HG12 . 30325 1 697 . 1 1 65 65 VAL HG13 H 1 0.763 0.003 . 1 . . . . A 65 VAL HG13 . 30325 1 698 . 1 1 65 65 VAL HG21 H 1 0.724 0.001 . 1 . . . . A 65 VAL HG21 . 30325 1 699 . 1 1 65 65 VAL HG22 H 1 0.724 0.001 . 1 . . . . A 65 VAL HG22 . 30325 1 700 . 1 1 65 65 VAL HG23 H 1 0.724 0.001 . 1 . . . . A 65 VAL HG23 . 30325 1 701 . 1 1 65 65 VAL CA C 13 60.856 0.011 . 1 . . . . A 65 VAL CA . 30325 1 702 . 1 1 65 65 VAL CB C 13 33.724 0.006 . 1 . . . . A 65 VAL CB . 30325 1 703 . 1 1 65 65 VAL CG1 C 13 21.407 0.017 . 1 . . . . A 65 VAL CG1 . 30325 1 704 . 1 1 65 65 VAL CG2 C 13 21.023 0.011 . 1 . . . . A 65 VAL CG2 . 30325 1 705 . 1 1 65 65 VAL N N 15 123.51 0.021 . 1 . . . . A 65 VAL N . 30325 1 706 . 1 1 66 66 ARG H H 1 8.521 0.004 . 1 . . . . A 66 ARG H . 30325 1 707 . 1 1 66 66 ARG HA H 1 4.524 0.004 . 1 . . . . A 66 ARG HA . 30325 1 708 . 1 1 66 66 ARG HB2 H 1 1.607 0.001 . 1 . . . . A 66 ARG HB2 . 30325 1 709 . 1 1 66 66 ARG HB3 H 1 1.446 0.004 . 1 . . . . A 66 ARG HB3 . 30325 1 710 . 1 1 66 66 ARG HG2 H 1 1.22 0.011 . 1 . . . . A 66 ARG HG2 . 30325 1 711 . 1 1 66 66 ARG HG3 H 1 1.123 0.011 . 1 . . . . A 66 ARG HG3 . 30325 1 712 . 1 1 66 66 ARG HD2 H 1 2.701 0.02 . 1 . . . . A 66 ARG HD2 . 30325 1 713 . 1 1 66 66 ARG HD3 H 1 2.701 0.02 . 1 . . . . A 66 ARG HD3 . 30325 1 714 . 1 1 66 66 ARG CA C 13 53.886 0.039 . 1 . . . . A 66 ARG CA . 30325 1 715 . 1 1 66 66 ARG CB C 13 32.755 0.086 . 1 . . . . A 66 ARG CB . 30325 1 716 . 1 1 66 66 ARG CG C 13 26.464 0.056 . 1 . . . . A 66 ARG CG . 30325 1 717 . 1 1 66 66 ARG CD C 13 42.574 0.2 . 1 . . . . A 66 ARG CD . 30325 1 718 . 1 1 66 66 ARG N N 15 125.21 0.024 . 1 . . . . A 66 ARG N . 30325 1 719 . 1 1 67 67 ASP H H 1 8.614 0.003 . 1 . . . . A 67 ASP H . 30325 1 720 . 1 1 67 67 ASP HA H 1 4.812 0.001 . 1 . . . . A 67 ASP HA . 30325 1 721 . 1 1 67 67 ASP HB2 H 1 2.422 0.006 . 1 . . . . A 67 ASP HB2 . 30325 1 722 . 1 1 67 67 ASP HB3 H 1 2.339 0.005 . 1 . . . . A 67 ASP HB3 . 30325 1 723 . 1 1 67 67 ASP CA C 13 54.039 0.017 . 1 . . . . A 67 ASP CA . 30325 1 724 . 1 1 67 67 ASP CB C 13 41.495 0.007 . 1 . . . . A 67 ASP CB . 30325 1 725 . 1 1 67 67 ASP N N 15 124.257 0.031 . 1 . . . . A 67 ASP N . 30325 1 726 . 1 1 68 68 VAL H H 1 9.051 0.002 . 1 . . . . A 68 VAL H . 30325 1 727 . 1 1 68 68 VAL HA H 1 4.01 0.02 . 1 . . . . A 68 VAL HA . 30325 1 728 . 1 1 68 68 VAL HB H 1 0.744 0.009 . 1 . . . . A 68 VAL HB . 30325 1 729 . 1 1 68 68 VAL HG11 H 1 0.734 0.001 . 1 . . . . A 68 VAL HG11 . 30325 1 730 . 1 1 68 68 VAL HG12 H 1 0.734 0.001 . 1 . . . . A 68 VAL HG12 . 30325 1 731 . 1 1 68 68 VAL HG13 H 1 0.734 0.001 . 1 . . . . A 68 VAL HG13 . 30325 1 732 . 1 1 68 68 VAL HG21 H 1 0.217 0.02 . 1 . . . . A 68 VAL HG21 . 30325 1 733 . 1 1 68 68 VAL HG22 H 1 0.217 0.02 . 1 . . . . A 68 VAL HG22 . 30325 1 734 . 1 1 68 68 VAL HG23 H 1 0.217 0.02 . 1 . . . . A 68 VAL HG23 . 30325 1 735 . 1 1 68 68 VAL CA C 13 61.428 0.019 . 1 . . . . A 68 VAL CA . 30325 1 736 . 1 1 68 68 VAL CB C 13 33.246 0.025 . 1 . . . . A 68 VAL CB . 30325 1 737 . 1 1 68 68 VAL CG1 C 13 20.758 0.013 . 1 . . . . A 68 VAL CG1 . 30325 1 738 . 1 1 68 68 VAL CG2 C 13 20.468 0.022 . 1 . . . . A 68 VAL CG2 . 30325 1 739 . 1 1 68 68 VAL N N 15 129.359 0.018 . 1 . . . . A 68 VAL N . 30325 1 740 . 1 1 69 69 LYS H H 1 8.707 0.003 . 1 . . . . A 69 LYS H . 30325 1 741 . 1 1 69 69 LYS HA H 1 4.354 0.006 . 1 . . . . A 69 LYS HA . 30325 1 742 . 1 1 69 69 LYS HB2 H 1 1.629 0.009 . 1 . . . . A 69 LYS HB2 . 30325 1 743 . 1 1 69 69 LYS HB3 H 1 1.349 0.003 . 1 . . . . A 69 LYS HB3 . 30325 1 744 . 1 1 69 69 LYS HG2 H 1 0.9 0.02 . 1 . . . . A 69 LYS HG2 . 30325 1 745 . 1 1 69 69 LYS HG3 H 1 0.775 0.02 . 1 . . . . A 69 LYS HG3 . 30325 1 746 . 1 1 69 69 LYS HD2 H 1 1.4 0.02 . 1 . . . . A 69 LYS HD2 . 30325 1 747 . 1 1 69 69 LYS HD3 H 1 1.4 0.02 . 1 . . . . A 69 LYS HD3 . 30325 1 748 . 1 1 69 69 LYS HE2 H 1 2.612 0.02 . 1 . . . . A 69 LYS HE2 . 30325 1 749 . 1 1 69 69 LYS HE3 H 1 2.612 0.02 . 1 . . . . A 69 LYS HE3 . 30325 1 750 . 1 1 69 69 LYS CA C 13 55.657 0.013 . 1 . . . . A 69 LYS CA . 30325 1 751 . 1 1 69 69 LYS CB C 13 33.426 0.067 . 1 . . . . A 69 LYS CB . 30325 1 752 . 1 1 69 69 LYS CG C 13 25.077 0.046 . 1 . . . . A 69 LYS CG . 30325 1 753 . 1 1 69 69 LYS CD C 13 29.417 0.2 . 1 . . . . A 69 LYS CD . 30325 1 754 . 1 1 69 69 LYS CE C 13 41.841 0.2 . 1 . . . . A 69 LYS CE . 30325 1 755 . 1 1 69 69 LYS N N 15 132.423 0.01 . 1 . . . . A 69 LYS N . 30325 1 756 . 1 1 70 70 ALA H H 1 8.78 0.002 . 1 . . . . A 70 ALA H . 30325 1 757 . 1 1 70 70 ALA HA H 1 4.847 0.02 . 1 . . . . A 70 ALA HA . 30325 1 758 . 1 1 70 70 ALA HB1 H 1 0.855 0.001 . 1 . . . . A 70 ALA HB1 . 30325 1 759 . 1 1 70 70 ALA HB2 H 1 0.855 0.001 . 1 . . . . A 70 ALA HB2 . 30325 1 760 . 1 1 70 70 ALA HB3 H 1 0.855 0.001 . 1 . . . . A 70 ALA HB3 . 30325 1 761 . 1 1 70 70 ALA CA C 13 51.02 0.012 . 1 . . . . A 70 ALA CA . 30325 1 762 . 1 1 70 70 ALA CB C 13 20.686 0.008 . 1 . . . . A 70 ALA CB . 30325 1 763 . 1 1 70 70 ALA N N 15 130.796 0.013 . 1 . . . . A 70 ALA N . 30325 1 764 . 1 1 71 71 THR H H 1 8.338 0.001 . 1 . . . . A 71 THR H . 30325 1 765 . 1 1 71 71 THR HA H 1 4.845 0.02 . 1 . . . . A 71 THR HA . 30325 1 766 . 1 1 71 71 THR HB H 1 3.974 0.02 . 1 . . . . A 71 THR HB . 30325 1 767 . 1 1 71 71 THR HG21 H 1 1.103 0.02 . 1 . . . . A 71 THR HG21 . 30325 1 768 . 1 1 71 71 THR HG22 H 1 1.103 0.02 . 1 . . . . A 71 THR HG22 . 30325 1 769 . 1 1 71 71 THR HG23 H 1 1.103 0.02 . 1 . . . . A 71 THR HG23 . 30325 1 770 . 1 1 71 71 THR CA C 13 61.87 0.2 . 1 . . . . A 71 THR CA . 30325 1 771 . 1 1 71 71 THR CB C 13 69.843 0.027 . 1 . . . . A 71 THR CB . 30325 1 772 . 1 1 71 71 THR CG2 C 13 21.564 0.2 . 1 . . . . A 71 THR CG2 . 30325 1 773 . 1 1 71 71 THR N N 15 116.382 0.006 . 1 . . . . A 71 THR N . 30325 1 774 . 1 1 72 72 VAL H H 1 8.483 0.003 . 1 . . . . A 72 VAL H . 30325 1 775 . 1 1 72 72 VAL HA H 1 4.984 0.02 . 1 . . . . A 72 VAL HA . 30325 1 776 . 1 1 72 72 VAL HB H 1 1.72 0.02 . 1 . . . . A 72 VAL HB . 30325 1 777 . 1 1 72 72 VAL HG11 H 1 0.713 0.02 . 1 . . . . A 72 VAL HG11 . 30325 1 778 . 1 1 72 72 VAL HG12 H 1 0.713 0.02 . 1 . . . . A 72 VAL HG12 . 30325 1 779 . 1 1 72 72 VAL HG13 H 1 0.713 0.02 . 1 . . . . A 72 VAL HG13 . 30325 1 780 . 1 1 72 72 VAL HG21 H 1 0.327 0.02 . 1 . . . . A 72 VAL HG21 . 30325 1 781 . 1 1 72 72 VAL HG22 H 1 0.327 0.02 . 1 . . . . A 72 VAL HG22 . 30325 1 782 . 1 1 72 72 VAL HG23 H 1 0.327 0.02 . 1 . . . . A 72 VAL HG23 . 30325 1 783 . 1 1 72 72 VAL CA C 13 62.093 0.042 . 1 . . . . A 72 VAL CA . 30325 1 784 . 1 1 72 72 VAL CB C 13 34.097 0.011 . 1 . . . . A 72 VAL CB . 30325 1 785 . 1 1 72 72 VAL CG1 C 13 20.976 0.004 . 1 . . . . A 72 VAL CG1 . 30325 1 786 . 1 1 72 72 VAL CG2 C 13 19.642 0.004 . 1 . . . . A 72 VAL CG2 . 30325 1 787 . 1 1 72 72 VAL N N 15 128.139 0.008 . 1 . . . . A 72 VAL N . 30325 1 788 . 1 1 73 73 ASP H H 1 9.508 0.004 . 1 . . . . A 73 ASP H . 30325 1 789 . 1 1 73 73 ASP HA H 1 5.074 0.02 . 1 . . . . A 73 ASP HA . 30325 1 790 . 1 1 73 73 ASP HB2 H 1 2.537 0.02 . 1 . . . . A 73 ASP HB2 . 30325 1 791 . 1 1 73 73 ASP HB3 H 1 2.537 0.02 . 1 . . . . A 73 ASP HB3 . 30325 1 792 . 1 1 73 73 ASP CA C 13 52.38 0.018 . 1 . . . . A 73 ASP CA . 30325 1 793 . 1 1 73 73 ASP CB C 13 44.758 0.001 . 1 . . . . A 73 ASP CB . 30325 1 794 . 1 1 73 73 ASP N N 15 129.426 0.03 . 1 . . . . A 73 ASP N . 30325 1 795 . 1 1 74 74 VAL H H 1 8.25 0.001 . 1 . . . . A 74 VAL H . 30325 1 796 . 1 1 74 74 VAL HA H 1 4.787 0.001 . 1 . . . . A 74 VAL HA . 30325 1 797 . 1 1 74 74 VAL HB H 1 1.906 0.02 . 1 . . . . A 74 VAL HB . 30325 1 798 . 1 1 74 74 VAL HG11 H 1 0.869 0.02 . 1 . . . . A 74 VAL HG11 . 30325 1 799 . 1 1 74 74 VAL HG12 H 1 0.869 0.02 . 1 . . . . A 74 VAL HG12 . 30325 1 800 . 1 1 74 74 VAL HG13 H 1 0.869 0.02 . 1 . . . . A 74 VAL HG13 . 30325 1 801 . 1 1 74 74 VAL HG21 H 1 0.822 0.02 . 1 . . . . A 74 VAL HG21 . 30325 1 802 . 1 1 74 74 VAL HG22 H 1 0.822 0.02 . 1 . . . . A 74 VAL HG22 . 30325 1 803 . 1 1 74 74 VAL HG23 H 1 0.822 0.02 . 1 . . . . A 74 VAL HG23 . 30325 1 804 . 1 1 74 74 VAL CA C 13 61.671 0.004 . 1 . . . . A 74 VAL CA . 30325 1 805 . 1 1 74 74 VAL CB C 13 35.111 0.2 . 1 . . . . A 74 VAL CB . 30325 1 806 . 1 1 74 74 VAL CG1 C 13 21.536 0.2 . 1 . . . . A 74 VAL CG1 . 30325 1 807 . 1 1 74 74 VAL CG2 C 13 20.671 0.2 . 1 . . . . A 74 VAL CG2 . 30325 1 808 . 1 1 74 74 VAL N N 15 120.621 0.001 . 1 . . . . A 74 VAL N . 30325 1 809 . 1 1 75 75 ALA H H 1 8.821 0.001 . 1 . . . . A 75 ALA H . 30325 1 810 . 1 1 75 75 ALA HA H 1 4.62 0.02 . 1 . . . . A 75 ALA HA . 30325 1 811 . 1 1 75 75 ALA HB1 H 1 1.195 0.02 . 1 . . . . A 75 ALA HB1 . 30325 1 812 . 1 1 75 75 ALA HB2 H 1 1.195 0.02 . 1 . . . . A 75 ALA HB2 . 30325 1 813 . 1 1 75 75 ALA HB3 H 1 1.195 0.02 . 1 . . . . A 75 ALA HB3 . 30325 1 814 . 1 1 75 75 ALA CA C 13 50.696 0.002 . 1 . . . . A 75 ALA CA . 30325 1 815 . 1 1 75 75 ALA CB C 13 19.956 0.003 . 1 . . . . A 75 ALA CB . 30325 1 816 . 1 1 75 75 ALA N N 15 131.993 0.003 . 1 . . . . A 75 ALA N . 30325 1 817 . 1 1 76 76 GLY H H 1 8.94 0.001 . 1 . . . . A 76 GLY H . 30325 1 818 . 1 1 76 76 GLY HA2 H 1 3.878 0.001 . 1 . . . . A 76 GLY HA2 . 30325 1 819 . 1 1 76 76 GLY HA3 H 1 3.502 0.001 . 1 . . . . A 76 GLY HA3 . 30325 1 820 . 1 1 76 76 GLY CA C 13 47.665 0.023 . 1 . . . . A 76 GLY CA . 30325 1 821 . 1 1 76 76 GLY N N 15 115.22 0.003 . 1 . . . . A 76 GLY N . 30325 1 822 . 1 1 77 77 HIS H H 1 8.665 0.001 . 1 . . . . A 77 HIS H . 30325 1 823 . 1 1 77 77 HIS HA H 1 4.739 0.001 . 1 . . . . A 77 HIS HA . 30325 1 824 . 1 1 77 77 HIS HB2 H 1 3.918 0.003 . 1 . . . . A 77 HIS HB2 . 30325 1 825 . 1 1 77 77 HIS HB3 H 1 3.144 0.001 . 1 . . . . A 77 HIS HB3 . 30325 1 826 . 1 1 77 77 HIS CA C 13 55.177 0.005 . 1 . . . . A 77 HIS CA . 30325 1 827 . 1 1 77 77 HIS CB C 13 28.978 0.025 . 1 . . . . A 77 HIS CB . 30325 1 828 . 1 1 77 77 HIS N N 15 126.716 0.008 . 1 . . . . A 77 HIS N . 30325 1 829 . 1 1 78 78 THR H H 1 7.783 0.001 . 1 . . . . A 78 THR H . 30325 1 830 . 1 1 78 78 THR HA H 1 5.679 0.02 . 1 . . . . A 78 THR HA . 30325 1 831 . 1 1 78 78 THR HB H 1 4.116 0.02 . 1 . . . . A 78 THR HB . 30325 1 832 . 1 1 78 78 THR HG21 H 1 1.149 0.02 . 1 . . . . A 78 THR HG21 . 30325 1 833 . 1 1 78 78 THR HG22 H 1 1.149 0.02 . 1 . . . . A 78 THR HG22 . 30325 1 834 . 1 1 78 78 THR HG23 H 1 1.149 0.02 . 1 . . . . A 78 THR HG23 . 30325 1 835 . 1 1 78 78 THR CA C 13 61.354 0.005 . 1 . . . . A 78 THR CA . 30325 1 836 . 1 1 78 78 THR CB C 13 72.043 0.004 . 1 . . . . A 78 THR CB . 30325 1 837 . 1 1 78 78 THR CG2 C 13 21.657 0.005 . 1 . . . . A 78 THR CG2 . 30325 1 838 . 1 1 78 78 THR N N 15 115.017 0.012 . 1 . . . . A 78 THR N . 30325 1 839 . 1 1 79 79 VAL H H 1 9.263 0.002 . 1 . . . . A 79 VAL H . 30325 1 840 . 1 1 79 79 VAL HA H 1 4.49 0.001 . 1 . . . . A 79 VAL HA . 30325 1 841 . 1 1 79 79 VAL HB H 1 1.786 0.009 . 1 . . . . A 79 VAL HB . 30325 1 842 . 1 1 79 79 VAL HG11 H 1 0.808 0.003 . 1 . . . . A 79 VAL HG11 . 30325 1 843 . 1 1 79 79 VAL HG12 H 1 0.808 0.003 . 1 . . . . A 79 VAL HG12 . 30325 1 844 . 1 1 79 79 VAL HG13 H 1 0.808 0.003 . 1 . . . . A 79 VAL HG13 . 30325 1 845 . 1 1 79 79 VAL HG21 H 1 0.695 0.008 . 1 . . . . A 79 VAL HG21 . 30325 1 846 . 1 1 79 79 VAL HG22 H 1 0.695 0.008 . 1 . . . . A 79 VAL HG22 . 30325 1 847 . 1 1 79 79 VAL HG23 H 1 0.695 0.008 . 1 . . . . A 79 VAL HG23 . 30325 1 848 . 1 1 79 79 VAL CA C 13 61.969 0.043 . 1 . . . . A 79 VAL CA . 30325 1 849 . 1 1 79 79 VAL CB C 13 33.767 0.118 . 1 . . . . A 79 VAL CB . 30325 1 850 . 1 1 79 79 VAL CG1 C 13 21.831 0.002 . 1 . . . . A 79 VAL CG1 . 30325 1 851 . 1 1 79 79 VAL CG2 C 13 21.204 0.09 . 1 . . . . A 79 VAL CG2 . 30325 1 852 . 1 1 79 79 VAL N N 15 127.242 0.008 . 1 . . . . A 79 VAL N . 30325 1 853 . 1 1 80 80 ILE H H 1 9.306 0.005 . 1 . . . . A 80 ILE H . 30325 1 854 . 1 1 80 80 ILE HA H 1 4.968 0.004 . 1 . . . . A 80 ILE HA . 30325 1 855 . 1 1 80 80 ILE HB H 1 1.591 0.02 . 1 . . . . A 80 ILE HB . 30325 1 856 . 1 1 80 80 ILE HG12 H 1 1.434 0.002 . 1 . . . . A 80 ILE HG12 . 30325 1 857 . 1 1 80 80 ILE HG13 H 1 1.071 0.001 . 1 . . . . A 80 ILE HG13 . 30325 1 858 . 1 1 80 80 ILE HG21 H 1 0.843 0.001 . 1 . . . . A 80 ILE HG21 . 30325 1 859 . 1 1 80 80 ILE HG22 H 1 0.843 0.001 . 1 . . . . A 80 ILE HG22 . 30325 1 860 . 1 1 80 80 ILE HG23 H 1 0.843 0.001 . 1 . . . . A 80 ILE HG23 . 30325 1 861 . 1 1 80 80 ILE HD11 H 1 0.783 0.001 . 1 . . . . A 80 ILE HD11 . 30325 1 862 . 1 1 80 80 ILE HD12 H 1 0.783 0.001 . 1 . . . . A 80 ILE HD12 . 30325 1 863 . 1 1 80 80 ILE HD13 H 1 0.783 0.001 . 1 . . . . A 80 ILE HD13 . 30325 1 864 . 1 1 80 80 ILE CA C 13 60.901 0.005 . 1 . . . . A 80 ILE CA . 30325 1 865 . 1 1 80 80 ILE CB C 13 41.218 0.2 . 1 . . . . A 80 ILE CB . 30325 1 866 . 1 1 80 80 ILE CG1 C 13 28.315 0.013 . 1 . . . . A 80 ILE CG1 . 30325 1 867 . 1 1 80 80 ILE CG2 C 13 18.642 0.005 . 1 . . . . A 80 ILE CG2 . 30325 1 868 . 1 1 80 80 ILE CD1 C 13 14.656 0.031 . 1 . . . . A 80 ILE CD1 . 30325 1 869 . 1 1 80 80 ILE N N 15 128.796 0.016 . 1 . . . . A 80 ILE N . 30325 1 870 . 1 1 81 81 GLU H H 1 9.315 0.007 . 1 . . . . A 81 GLU H . 30325 1 871 . 1 1 81 81 GLU HA H 1 4.889 0.02 . 1 . . . . A 81 GLU HA . 30325 1 872 . 1 1 81 81 GLU HB2 H 1 2.496 0.02 . 1 . . . . A 81 GLU HB2 . 30325 1 873 . 1 1 81 81 GLU HB3 H 1 1.783 0.02 . 1 . . . . A 81 GLU HB3 . 30325 1 874 . 1 1 81 81 GLU HG2 H 1 2.361 0.02 . 1 . . . . A 81 GLU HG2 . 30325 1 875 . 1 1 81 81 GLU HG3 H 1 2.3 0.02 . 1 . . . . A 81 GLU HG3 . 30325 1 876 . 1 1 81 81 GLU CA C 13 53.742 0.021 . 1 . . . . A 81 GLU CA . 30325 1 877 . 1 1 81 81 GLU CB C 13 31.65 0.007 . 1 . . . . A 81 GLU CB . 30325 1 878 . 1 1 81 81 GLU CG C 13 35.41 0.012 . 1 . . . . A 81 GLU CG . 30325 1 879 . 1 1 81 81 GLU N N 15 125.107 0.014 . 1 . . . . A 81 GLU N . 30325 1 880 . 1 1 82 82 LYS H H 1 8.637 0.005 . 1 . . . . A 82 LYS H . 30325 1 881 . 1 1 82 82 LYS HA H 1 4.828 0.001 . 1 . . . . A 82 LYS HA . 30325 1 882 . 1 1 82 82 LYS HB2 H 1 1.859 0.001 . 1 . . . . A 82 LYS HB2 . 30325 1 883 . 1 1 82 82 LYS HB3 H 1 1.694 0.004 . 1 . . . . A 82 LYS HB3 . 30325 1 884 . 1 1 82 82 LYS HG2 H 1 1.486 0.003 . 1 . . . . A 82 LYS HG2 . 30325 1 885 . 1 1 82 82 LYS HG3 H 1 1.309 0.013 . 1 . . . . A 82 LYS HG3 . 30325 1 886 . 1 1 82 82 LYS HD2 H 1 1.628 0.001 . 1 . . . . A 82 LYS HD2 . 30325 1 887 . 1 1 82 82 LYS HD3 H 1 1.628 0.001 . 1 . . . . A 82 LYS HD3 . 30325 1 888 . 1 1 82 82 LYS HE2 H 1 2.864 0.02 . 1 . . . . A 82 LYS HE2 . 30325 1 889 . 1 1 82 82 LYS HE3 H 1 2.864 0.02 . 1 . . . . A 82 LYS HE3 . 30325 1 890 . 1 1 82 82 LYS CA C 13 55.639 0.004 . 1 . . . . A 82 LYS CA . 30325 1 891 . 1 1 82 82 LYS CB C 13 34.411 0.013 . 1 . . . . A 82 LYS CB . 30325 1 892 . 1 1 82 82 LYS CG C 13 25.497 0.061 . 1 . . . . A 82 LYS CG . 30325 1 893 . 1 1 82 82 LYS CD C 13 29.343 0.019 . 1 . . . . A 82 LYS CD . 30325 1 894 . 1 1 82 82 LYS CE C 13 42.156 0.2 . 1 . . . . A 82 LYS CE . 30325 1 895 . 1 1 82 82 LYS N N 15 124.401 0.022 . 1 . . . . A 82 LYS N . 30325 1 896 . 1 1 83 83 ASP H H 1 8.078 0.003 . 1 . . . . A 83 ASP H . 30325 1 897 . 1 1 83 83 ASP HA H 1 4.61 0.02 . 1 . . . . A 83 ASP HA . 30325 1 898 . 1 1 83 83 ASP HB2 H 1 2.942 0.02 . 1 . . . . A 83 ASP HB2 . 30325 1 899 . 1 1 83 83 ASP HB3 H 1 2.504 0.02 . 1 . . . . A 83 ASP HB3 . 30325 1 900 . 1 1 83 83 ASP CA C 13 53.933 0.025 . 1 . . . . A 83 ASP CA . 30325 1 901 . 1 1 83 83 ASP CB C 13 43.258 0.031 . 1 . . . . A 83 ASP CB . 30325 1 902 . 1 1 83 83 ASP N N 15 126.353 0.02 . 1 . . . . A 83 ASP N . 30325 1 903 . 1 1 84 84 ALA H H 1 9.264 0.001 . 1 . . . . A 84 ALA H . 30325 1 904 . 1 1 84 84 ALA HA H 1 4.258 0.02 . 1 . . . . A 84 ALA HA . 30325 1 905 . 1 1 84 84 ALA HB1 H 1 1.396 0.02 . 1 . . . . A 84 ALA HB1 . 30325 1 906 . 1 1 84 84 ALA HB2 H 1 1.396 0.02 . 1 . . . . A 84 ALA HB2 . 30325 1 907 . 1 1 84 84 ALA HB3 H 1 1.396 0.02 . 1 . . . . A 84 ALA HB3 . 30325 1 908 . 1 1 84 84 ALA CA C 13 53.534 0.002 . 1 . . . . A 84 ALA CA . 30325 1 909 . 1 1 84 84 ALA CB C 13 19.285 0.007 . 1 . . . . A 84 ALA CB . 30325 1 910 . 1 1 84 84 ALA N N 15 129.027 0.038 . 1 . . . . A 84 ALA N . 30325 1 911 . 1 1 85 85 ASN H H 1 8.192 0.001 . 1 . . . . A 85 ASN H . 30325 1 912 . 1 1 85 85 ASN HA H 1 4.65 0.002 . 1 . . . . A 85 ASN HA . 30325 1 913 . 1 1 85 85 ASN HB2 H 1 3.276 0.009 . 1 . . . . A 85 ASN HB2 . 30325 1 914 . 1 1 85 85 ASN HB3 H 1 3.013 0.001 . 1 . . . . A 85 ASN HB3 . 30325 1 915 . 1 1 85 85 ASN HD21 H 1 7.063 0.002 . 1 . . . . A 85 ASN HD21 . 30325 1 916 . 1 1 85 85 ASN HD22 H 1 6.762 0.003 . 1 . . . . A 85 ASN HD22 . 30325 1 917 . 1 1 85 85 ASN CA C 13 52.981 0.073 . 1 . . . . A 85 ASN CA . 30325 1 918 . 1 1 85 85 ASN CB C 13 39.358 0.068 . 1 . . . . A 85 ASN CB . 30325 1 919 . 1 1 85 85 ASN N N 15 114.316 0.008 . 1 . . . . A 85 ASN N . 30325 1 920 . 1 1 85 85 ASN ND2 N 15 111.105 0.012 . 1 . . . . A 85 ASN ND2 . 30325 1 921 . 1 1 86 86 SER H H 1 7.526 0.002 . 1 . . . . A 86 SER H . 30325 1 922 . 1 1 86 86 SER HA H 1 4.629 0.002 . 1 . . . . A 86 SER HA . 30325 1 923 . 1 1 86 86 SER HB2 H 1 4.018 0.024 . 1 . . . . A 86 SER HB2 . 30325 1 924 . 1 1 86 86 SER HB3 H 1 3.917 0.011 . 1 . . . . A 86 SER HB3 . 30325 1 925 . 1 1 86 86 SER CA C 13 58.72 0.007 . 1 . . . . A 86 SER CA . 30325 1 926 . 1 1 86 86 SER CB C 13 65.438 0.077 . 1 . . . . A 86 SER CB . 30325 1 927 . 1 1 86 86 SER N N 15 115.008 0.007 . 1 . . . . A 86 SER N . 30325 1 928 . 1 1 87 87 SER H H 1 8.141 0.012 . 1 . . . . A 87 SER H . 30325 1 929 . 1 1 87 87 SER HA H 1 4.498 0.005 . 1 . . . . A 87 SER HA . 30325 1 930 . 1 1 87 87 SER HB2 H 1 3.914 0.02 . 1 . . . . A 87 SER HB2 . 30325 1 931 . 1 1 87 87 SER HB3 H 1 3.914 0.02 . 1 . . . . A 87 SER HB3 . 30325 1 932 . 1 1 87 87 SER CA C 13 58.581 0.065 . 1 . . . . A 87 SER CA . 30325 1 933 . 1 1 87 87 SER CB C 13 64.39 0.2 . 1 . . . . A 87 SER CB . 30325 1 934 . 1 1 87 87 SER N N 15 111.006 0.053 . 1 . . . . A 87 SER N . 30325 1 935 . 1 1 88 88 LEU H H 1 8.539 0.004 . 1 . . . . A 88 LEU H . 30325 1 936 . 1 1 88 88 LEU HA H 1 4.917 0.001 . 1 . . . . A 88 LEU HA . 30325 1 937 . 1 1 88 88 LEU HB2 H 1 1.576 0.02 . 1 . . . . A 88 LEU HB2 . 30325 1 938 . 1 1 88 88 LEU HB3 H 1 1.45 0.02 . 1 . . . . A 88 LEU HB3 . 30325 1 939 . 1 1 88 88 LEU HG H 1 1.483 0.01 . 1 . . . . A 88 LEU HG . 30325 1 940 . 1 1 88 88 LEU HD11 H 1 0.475 0.003 . 1 . . . . A 88 LEU HD11 . 30325 1 941 . 1 1 88 88 LEU HD12 H 1 0.475 0.003 . 1 . . . . A 88 LEU HD12 . 30325 1 942 . 1 1 88 88 LEU HD13 H 1 0.475 0.003 . 1 . . . . A 88 LEU HD13 . 30325 1 943 . 1 1 88 88 LEU HD21 H 1 0.579 0.009 . 1 . . . . A 88 LEU HD21 . 30325 1 944 . 1 1 88 88 LEU HD22 H 1 0.579 0.009 . 1 . . . . A 88 LEU HD22 . 30325 1 945 . 1 1 88 88 LEU HD23 H 1 0.579 0.009 . 1 . . . . A 88 LEU HD23 . 30325 1 946 . 1 1 88 88 LEU CA C 13 57.156 0.026 . 1 . . . . A 88 LEU CA . 30325 1 947 . 1 1 88 88 LEU CB C 13 43.276 0.029 . 1 . . . . A 88 LEU CB . 30325 1 948 . 1 1 88 88 LEU CG C 13 27.133 0.005 . 1 . . . . A 88 LEU CG . 30325 1 949 . 1 1 88 88 LEU CD1 C 13 25.512 0.004 . 1 . . . . A 88 LEU CD1 . 30325 1 950 . 1 1 88 88 LEU CD2 C 13 25.326 0.014 . 1 . . . . A 88 LEU CD2 . 30325 1 951 . 1 1 88 88 LEU N N 15 125.457 0.007 . 1 . . . . A 88 LEU N . 30325 1 952 . 1 1 89 89 VAL H H 1 8.98 0.002 . 1 . . . . A 89 VAL H . 30325 1 953 . 1 1 89 89 VAL HA H 1 5.017 0.02 . 1 . . . . A 89 VAL HA . 30325 1 954 . 1 1 89 89 VAL HB H 1 1.985 0.02 . 1 . . . . A 89 VAL HB . 30325 1 955 . 1 1 89 89 VAL HG11 H 1 1.005 0.02 . 1 . . . . A 89 VAL HG11 . 30325 1 956 . 1 1 89 89 VAL HG12 H 1 1.005 0.02 . 1 . . . . A 89 VAL HG12 . 30325 1 957 . 1 1 89 89 VAL HG13 H 1 1.005 0.02 . 1 . . . . A 89 VAL HG13 . 30325 1 958 . 1 1 89 89 VAL HG21 H 1 0.902 0.02 . 1 . . . . A 89 VAL HG21 . 30325 1 959 . 1 1 89 89 VAL HG22 H 1 0.902 0.02 . 1 . . . . A 89 VAL HG22 . 30325 1 960 . 1 1 89 89 VAL HG23 H 1 0.902 0.02 . 1 . . . . A 89 VAL HG23 . 30325 1 961 . 1 1 89 89 VAL CA C 13 61.602 0.052 . 1 . . . . A 89 VAL CA . 30325 1 962 . 1 1 89 89 VAL CB C 13 36.148 0.026 . 1 . . . . A 89 VAL CB . 30325 1 963 . 1 1 89 89 VAL CG1 C 13 22.516 0.005 . 1 . . . . A 89 VAL CG1 . 30325 1 964 . 1 1 89 89 VAL CG2 C 13 21.559 0.004 . 1 . . . . A 89 VAL CG2 . 30325 1 965 . 1 1 89 89 VAL N N 15 127.63 0.018 . 1 . . . . A 89 VAL N . 30325 1 966 . 1 1 90 90 SER H H 1 9.186 0.001 . 1 . . . . A 90 SER H . 30325 1 967 . 1 1 90 90 SER HA H 1 5.479 0.02 . 1 . . . . A 90 SER HA . 30325 1 968 . 1 1 90 90 SER HB2 H 1 3.959 0.02 . 1 . . . . A 90 SER HB2 . 30325 1 969 . 1 1 90 90 SER HB3 H 1 3.595 0.02 . 1 . . . . A 90 SER HB3 . 30325 1 970 . 1 1 90 90 SER CA C 13 58.465 0.004 . 1 . . . . A 90 SER CA . 30325 1 971 . 1 1 90 90 SER CB C 13 65.333 0.024 . 1 . . . . A 90 SER CB . 30325 1 972 . 1 1 90 90 SER N N 15 121.905 0.018 . 1 . . . . A 90 SER N . 30325 1 973 . 1 1 91 91 ASN H H 1 9.076 0.002 . 1 . . . . A 91 ASN H . 30325 1 974 . 1 1 91 91 ASN HA H 1 5.558 0.02 . 1 . . . . A 91 ASN HA . 30325 1 975 . 1 1 91 91 ASN HB2 H 1 2.745 0.02 . 1 . . . . A 91 ASN HB2 . 30325 1 976 . 1 1 91 91 ASN HB3 H 1 2.433 0.02 . 1 . . . . A 91 ASN HB3 . 30325 1 977 . 1 1 91 91 ASN HD21 H 1 7.018 0.02 . 1 . . . . A 91 ASN HD21 . 30325 1 978 . 1 1 91 91 ASN HD22 H 1 6.679 0.001 . 1 . . . . A 91 ASN HD22 . 30325 1 979 . 1 1 91 91 ASN CA C 13 52.043 0.013 . 1 . . . . A 91 ASN CA . 30325 1 980 . 1 1 91 91 ASN CB C 13 41.922 0.01 . 1 . . . . A 91 ASN CB . 30325 1 981 . 1 1 91 91 ASN N N 15 123.274 0.015 . 1 . . . . A 91 ASN N . 30325 1 982 . 1 1 91 91 ASN ND2 N 15 110.578 0.006 . 1 . . . . A 91 ASN ND2 . 30325 1 983 . 1 1 92 92 TRP H H 1 10.254 0.005 . 1 . . . . A 92 TRP H . 30325 1 984 . 1 1 92 92 TRP HA H 1 5.232 0.002 . 1 . . . . A 92 TRP HA . 30325 1 985 . 1 1 92 92 TRP HB2 H 1 3.398 0.02 . 1 . . . . A 92 TRP HB2 . 30325 1 986 . 1 1 92 92 TRP HB3 H 1 2.852 0.003 . 1 . . . . A 92 TRP HB3 . 30325 1 987 . 1 1 92 92 TRP CA C 13 55.09 0.006 . 1 . . . . A 92 TRP CA . 30325 1 988 . 1 1 92 92 TRP CB C 13 29.246 0.039 . 1 . . . . A 92 TRP CB . 30325 1 989 . 1 1 92 92 TRP N N 15 128.521 0.017 . 1 . . . . A 92 TRP N . 30325 1 990 . 1 1 93 93 THR H H 1 9.517 0.001 . 1 . . . . A 93 THR H . 30325 1 991 . 1 1 93 93 THR HA H 1 5.233 0.02 . 1 . . . . A 93 THR HA . 30325 1 992 . 1 1 93 93 THR HB H 1 3.98 0.02 . 1 . . . . A 93 THR HB . 30325 1 993 . 1 1 93 93 THR HG21 H 1 1.129 0.02 . 1 . . . . A 93 THR HG21 . 30325 1 994 . 1 1 93 93 THR HG22 H 1 1.129 0.02 . 1 . . . . A 93 THR HG22 . 30325 1 995 . 1 1 93 93 THR HG23 H 1 1.129 0.02 . 1 . . . . A 93 THR HG23 . 30325 1 996 . 1 1 93 93 THR CA C 13 62.487 0.01 . 1 . . . . A 93 THR CA . 30325 1 997 . 1 1 93 93 THR CB C 13 71.15 0.017 . 1 . . . . A 93 THR CB . 30325 1 998 . 1 1 93 93 THR CG2 C 13 21.912 0.018 . 1 . . . . A 93 THR CG2 . 30325 1 999 . 1 1 93 93 THR N N 15 118.912 0.014 . 1 . . . . A 93 THR N . 30325 1 1000 . 1 1 94 94 VAL H H 1 8.587 0.002 . 1 . . . . A 94 VAL H . 30325 1 1001 . 1 1 94 94 VAL HA H 1 4.956 0.02 . 1 . . . . A 94 VAL HA . 30325 1 1002 . 1 1 94 94 VAL HB H 1 1.983 0.003 . 1 . . . . A 94 VAL HB . 30325 1 1003 . 1 1 94 94 VAL HG11 H 1 0.84 0.02 . 1 . . . . A 94 VAL HG11 . 30325 1 1004 . 1 1 94 94 VAL HG12 H 1 0.84 0.02 . 1 . . . . A 94 VAL HG12 . 30325 1 1005 . 1 1 94 94 VAL HG13 H 1 0.84 0.02 . 1 . . . . A 94 VAL HG13 . 30325 1 1006 . 1 1 94 94 VAL HG21 H 1 0.958 0.02 . 1 . . . . A 94 VAL HG21 . 30325 1 1007 . 1 1 94 94 VAL HG22 H 1 0.958 0.02 . 1 . . . . A 94 VAL HG22 . 30325 1 1008 . 1 1 94 94 VAL HG23 H 1 0.958 0.02 . 1 . . . . A 94 VAL HG23 . 30325 1 1009 . 1 1 94 94 VAL CA C 13 61.024 0.009 . 1 . . . . A 94 VAL CA . 30325 1 1010 . 1 1 94 94 VAL CB C 13 33.688 0.008 . 1 . . . . A 94 VAL CB . 30325 1 1011 . 1 1 94 94 VAL CG1 C 13 23.166 0.039 . 1 . . . . A 94 VAL CG1 . 30325 1 1012 . 1 1 94 94 VAL CG2 C 13 21.797 0.009 . 1 . . . . A 94 VAL CG2 . 30325 1 1013 . 1 1 94 94 VAL N N 15 128.524 0.01 . 1 . . . . A 94 VAL N . 30325 1 1014 . 1 1 95 95 ALA H H 1 8.836 0.002 . 1 . . . . A 95 ALA H . 30325 1 1015 . 1 1 95 95 ALA HA H 1 4.971 0.02 . 1 . . . . A 95 ALA HA . 30325 1 1016 . 1 1 95 95 ALA HB1 H 1 1.283 0.02 . 1 . . . . A 95 ALA HB1 . 30325 1 1017 . 1 1 95 95 ALA HB2 H 1 1.283 0.02 . 1 . . . . A 95 ALA HB2 . 30325 1 1018 . 1 1 95 95 ALA HB3 H 1 1.283 0.02 . 1 . . . . A 95 ALA HB3 . 30325 1 1019 . 1 1 95 95 ALA CA C 13 49.178 0.006 . 1 . . . . A 95 ALA CA . 30325 1 1020 . 1 1 95 95 ALA CB C 13 21.006 0.01 . 1 . . . . A 95 ALA CB . 30325 1 1021 . 1 1 95 95 ALA N N 15 129.879 0.01 . 1 . . . . A 95 ALA N . 30325 1 1022 . 1 1 96 96 PRO HA H 1 4.547 0.02 . 1 . . . . A 96 PRO HA . 30325 1 1023 . 1 1 96 96 PRO HB2 H 1 2.339 0.02 . 1 . . . . A 96 PRO HB2 . 30325 1 1024 . 1 1 96 96 PRO HB3 H 1 1.927 0.02 . 1 . . . . A 96 PRO HB3 . 30325 1 1025 . 1 1 96 96 PRO HG2 H 1 2.117 0.02 . 1 . . . . A 96 PRO HG2 . 30325 1 1026 . 1 1 96 96 PRO HG3 H 1 1.941 0.02 . 1 . . . . A 96 PRO HG3 . 30325 1 1027 . 1 1 96 96 PRO HD2 H 1 3.685 0.02 . 1 . . . . A 96 PRO HD2 . 30325 1 1028 . 1 1 96 96 PRO HD3 H 1 3.617 0.02 . 1 . . . . A 96 PRO HD3 . 30325 1 1029 . 1 1 96 96 PRO CA C 13 63.068 0.2 . 1 . . . . A 96 PRO CA . 30325 1 1030 . 1 1 96 96 PRO CB C 13 32.1 0.007 . 1 . . . . A 96 PRO CB . 30325 1 1031 . 1 1 96 96 PRO CG C 13 27.67 0.081 . 1 . . . . A 96 PRO CG . 30325 1 1032 . 1 1 96 96 PRO CD C 13 50.447 0.092 . 1 . . . . A 96 PRO CD . 30325 1 1033 . 1 1 97 97 ALA H H 1 7.997 0.008 . 1 . . . . A 97 ALA H . 30325 1 1034 . 1 1 97 97 ALA HA H 1 4.426 0.001 . 1 . . . . A 97 ALA HA . 30325 1 1035 . 1 1 97 97 ALA HB1 H 1 1.043 0.001 . 1 . . . . A 97 ALA HB1 . 30325 1 1036 . 1 1 97 97 ALA HB2 H 1 1.043 0.001 . 1 . . . . A 97 ALA HB2 . 30325 1 1037 . 1 1 97 97 ALA HB3 H 1 1.043 0.001 . 1 . . . . A 97 ALA HB3 . 30325 1 1038 . 1 1 97 97 ALA CA C 13 51.38 0.004 . 1 . . . . A 97 ALA CA . 30325 1 1039 . 1 1 97 97 ALA CB C 13 20.128 0.001 . 1 . . . . A 97 ALA CB . 30325 1 1040 . 1 1 97 97 ALA N N 15 127.121 0.015 . 1 . . . . A 97 ALA N . 30325 1 1041 . 1 1 98 98 GLY H H 1 8.87 0.001 . 1 . . . . A 98 GLY H . 30325 1 1042 . 1 1 98 98 GLY HA2 H 1 4.03 0.001 . 1 . . . . A 98 GLY HA2 . 30325 1 1043 . 1 1 98 98 GLY HA3 H 1 3.611 0.001 . 1 . . . . A 98 GLY HA3 . 30325 1 1044 . 1 1 98 98 GLY CA C 13 46.954 0.013 . 1 . . . . A 98 GLY CA . 30325 1 1045 . 1 1 98 98 GLY N N 15 115.314 0.001 . 1 . . . . A 98 GLY N . 30325 1 1046 . 1 1 99 99 THR H H 1 8.59 0.001 . 1 . . . . A 99 THR H . 30325 1 1047 . 1 1 99 99 THR HA H 1 4.312 0.02 . 1 . . . . A 99 THR HA . 30325 1 1048 . 1 1 99 99 THR HB H 1 4.452 0.004 . 1 . . . . A 99 THR HB . 30325 1 1049 . 1 1 99 99 THR HG21 H 1 1.135 0.001 . 1 . . . . A 99 THR HG21 . 30325 1 1050 . 1 1 99 99 THR HG22 H 1 1.135 0.001 . 1 . . . . A 99 THR HG22 . 30325 1 1051 . 1 1 99 99 THR HG23 H 1 1.135 0.001 . 1 . . . . A 99 THR HG23 . 30325 1 1052 . 1 1 99 99 THR CA C 13 62.032 0.007 . 1 . . . . A 99 THR CA . 30325 1 1053 . 1 1 99 99 THR CB C 13 68.837 0.006 . 1 . . . . A 99 THR CB . 30325 1 1054 . 1 1 99 99 THR CG2 C 13 21.735 0.003 . 1 . . . . A 99 THR CG2 . 30325 1 1055 . 1 1 99 99 THR N N 15 117.801 0.007 . 1 . . . . A 99 THR N . 30325 1 1056 . 1 1 100 100 GLY H H 1 8.09 0.02 . 1 . . . . A 100 GLY H . 30325 1 1057 . 1 1 100 100 GLY HA2 H 1 4.546 0.02 . 1 . . . . A 100 GLY HA2 . 30325 1 1058 . 1 1 100 100 GLY HA3 H 1 3.949 0.02 . 1 . . . . A 100 GLY HA3 . 30325 1 1059 . 1 1 100 100 GLY CA C 13 45.155 0.007 . 1 . . . . A 100 GLY CA . 30325 1 1060 . 1 1 100 100 GLY N N 15 112.266 0.004 . 1 . . . . A 100 GLY N . 30325 1 1061 . 1 1 101 101 SER H H 1 9.298 0.002 . 1 . . . . A 101 SER H . 30325 1 1062 . 1 1 101 101 SER HA H 1 5.437 0.02 . 1 . . . . A 101 SER HA . 30325 1 1063 . 1 1 101 101 SER HB2 H 1 3.528 0.002 . 1 . . . . A 101 SER HB2 . 30325 1 1064 . 1 1 101 101 SER HB3 H 1 3.442 0.001 . 1 . . . . A 101 SER HB3 . 30325 1 1065 . 1 1 101 101 SER CA C 13 59.027 0.005 . 1 . . . . A 101 SER CA . 30325 1 1066 . 1 1 101 101 SER CB C 13 67.906 0.054 . 1 . . . . A 101 SER CB . 30325 1 1067 . 1 1 101 101 SER N N 15 120.21 0.005 . 1 . . . . A 101 SER N . 30325 1 1068 . 1 1 102 102 SER H H 1 9.661 0.001 . 1 . . . . A 102 SER H . 30325 1 1069 . 1 1 102 102 SER HA H 1 5.198 0.02 . 1 . . . . A 102 SER HA . 30325 1 1070 . 1 1 102 102 SER HB2 H 1 3.637 0.02 . 1 . . . . A 102 SER HB2 . 30325 1 1071 . 1 1 102 102 SER HB3 H 1 3.551 0.02 . 1 . . . . A 102 SER HB3 . 30325 1 1072 . 1 1 102 102 SER CA C 13 56.133 0.012 . 1 . . . . A 102 SER CA . 30325 1 1073 . 1 1 102 102 SER CB C 13 65.164 0.006 . 1 . . . . A 102 SER CB . 30325 1 1074 . 1 1 102 102 SER N N 15 118.664 0.007 . 1 . . . . A 102 SER N . 30325 1 1075 . 1 1 103 103 VAL H H 1 8.911 0.001 . 1 . . . . A 103 VAL H . 30325 1 1076 . 1 1 103 103 VAL HA H 1 4.822 0.003 . 1 . . . . A 103 VAL HA . 30325 1 1077 . 1 1 103 103 VAL HB H 1 1.989 0.009 . 1 . . . . A 103 VAL HB . 30325 1 1078 . 1 1 103 103 VAL HG11 H 1 0.839 0.001 . 1 . . . . A 103 VAL HG11 . 30325 1 1079 . 1 1 103 103 VAL HG12 H 1 0.839 0.001 . 1 . . . . A 103 VAL HG12 . 30325 1 1080 . 1 1 103 103 VAL HG13 H 1 0.839 0.001 . 1 . . . . A 103 VAL HG13 . 30325 1 1081 . 1 1 103 103 VAL HG21 H 1 0.866 0.003 . 1 . . . . A 103 VAL HG21 . 30325 1 1082 . 1 1 103 103 VAL HG22 H 1 0.866 0.003 . 1 . . . . A 103 VAL HG22 . 30325 1 1083 . 1 1 103 103 VAL HG23 H 1 0.866 0.003 . 1 . . . . A 103 VAL HG23 . 30325 1 1084 . 1 1 103 103 VAL CA C 13 61.002 0.006 . 1 . . . . A 103 VAL CA . 30325 1 1085 . 1 1 103 103 VAL CB C 13 34.24 0.115 . 1 . . . . A 103 VAL CB . 30325 1 1086 . 1 1 103 103 VAL CG1 C 13 23.312 0.034 . 1 . . . . A 103 VAL CG1 . 30325 1 1087 . 1 1 103 103 VAL CG2 C 13 21.748 0.003 . 1 . . . . A 103 VAL CG2 . 30325 1 1088 . 1 1 103 103 VAL N N 15 123.215 0.012 . 1 . . . . A 103 VAL N . 30325 1 1089 . 1 1 104 104 ASN H H 1 8.777 0.003 . 1 . . . . A 104 ASN H . 30325 1 1090 . 1 1 104 104 ASN HA H 1 5.251 0.02 . 1 . . . . A 104 ASN HA . 30325 1 1091 . 1 1 104 104 ASN HB2 H 1 2.538 0.02 . 1 . . . . A 104 ASN HB2 . 30325 1 1092 . 1 1 104 104 ASN HB3 H 1 2.538 0.02 . 1 . . . . A 104 ASN HB3 . 30325 1 1093 . 1 1 104 104 ASN HD21 H 1 7.404 0.02 . 1 . . . . A 104 ASN HD21 . 30325 1 1094 . 1 1 104 104 ASN HD22 H 1 6.311 0.002 . 1 . . . . A 104 ASN HD22 . 30325 1 1095 . 1 1 104 104 ASN CA C 13 51.806 0.036 . 1 . . . . A 104 ASN CA . 30325 1 1096 . 1 1 104 104 ASN CB C 13 42.064 0.004 . 1 . . . . A 104 ASN CB . 30325 1 1097 . 1 1 104 104 ASN N N 15 125.961 0.016 . 1 . . . . A 104 ASN N . 30325 1 1098 . 1 1 104 104 ASN ND2 N 15 112.111 0.006 . 1 . . . . A 104 ASN ND2 . 30325 1 1099 . 1 1 105 105 LEU H H 1 9.172 0.005 . 1 . . . . A 105 LEU H . 30325 1 1100 . 1 1 105 105 LEU HA H 1 4.941 0.02 . 1 . . . . A 105 LEU HA . 30325 1 1101 . 1 1 105 105 LEU HB2 H 1 1.25 0.02 . 1 . . . . A 105 LEU HB2 . 30325 1 1102 . 1 1 105 105 LEU HB3 H 1 0.383 0.02 . 1 . . . . A 105 LEU HB3 . 30325 1 1103 . 1 1 105 105 LEU HG H 1 0.747 0.02 . 1 . . . . A 105 LEU HG . 30325 1 1104 . 1 1 105 105 LEU HD11 H 1 -0.344 0.02 . 1 . . . . A 105 LEU HD11 . 30325 1 1105 . 1 1 105 105 LEU HD12 H 1 -0.344 0.02 . 1 . . . . A 105 LEU HD12 . 30325 1 1106 . 1 1 105 105 LEU HD13 H 1 -0.344 0.02 . 1 . . . . A 105 LEU HD13 . 30325 1 1107 . 1 1 105 105 LEU HD21 H 1 -0.682 0.02 . 1 . . . . A 105 LEU HD21 . 30325 1 1108 . 1 1 105 105 LEU HD22 H 1 -0.682 0.02 . 1 . . . . A 105 LEU HD22 . 30325 1 1109 . 1 1 105 105 LEU HD23 H 1 -0.682 0.02 . 1 . . . . A 105 LEU HD23 . 30325 1 1110 . 1 1 105 105 LEU CA C 13 53.245 0.024 . 1 . . . . A 105 LEU CA . 30325 1 1111 . 1 1 105 105 LEU CB C 13 43.703 0.034 . 1 . . . . A 105 LEU CB . 30325 1 1112 . 1 1 105 105 LEU CG C 13 26.731 0.087 . 1 . . . . A 105 LEU CG . 30325 1 1113 . 1 1 105 105 LEU CD1 C 13 24.24 0.005 . 1 . . . . A 105 LEU CD1 . 30325 1 1114 . 1 1 105 105 LEU CD2 C 13 19.951 0.011 . 1 . . . . A 105 LEU CD2 . 30325 1 1115 . 1 1 105 105 LEU N N 15 129.026 0.024 . 1 . . . . A 105 LEU N . 30325 1 1116 . 1 1 106 106 LYS H H 1 8.726 0.004 . 1 . . . . A 106 LYS H . 30325 1 1117 . 1 1 106 106 LYS HA H 1 5.156 0.009 . 1 . . . . A 106 LYS HA . 30325 1 1118 . 1 1 106 106 LYS HB2 H 1 1.822 0.02 . 1 . . . . A 106 LYS HB2 . 30325 1 1119 . 1 1 106 106 LYS HB3 H 1 1.631 0.006 . 1 . . . . A 106 LYS HB3 . 30325 1 1120 . 1 1 106 106 LYS HG2 H 1 1.108 0.008 . 1 . . . . A 106 LYS HG2 . 30325 1 1121 . 1 1 106 106 LYS HG3 H 1 1.108 0.008 . 1 . . . . A 106 LYS HG3 . 30325 1 1122 . 1 1 106 106 LYS HD2 H 1 1.559 0.006 . 1 . . . . A 106 LYS HD2 . 30325 1 1123 . 1 1 106 106 LYS HD3 H 1 1.559 0.006 . 1 . . . . A 106 LYS HD3 . 30325 1 1124 . 1 1 106 106 LYS HE2 H 1 2.74 0.02 . 1 . . . . A 106 LYS HE2 . 30325 1 1125 . 1 1 106 106 LYS HE3 H 1 2.43 0.02 . 1 . . . . A 106 LYS HE3 . 30325 1 1126 . 1 1 106 106 LYS CA C 13 54.307 0.1 . 1 . . . . A 106 LYS CA . 30325 1 1127 . 1 1 106 106 LYS CB C 13 35.51 0.019 . 1 . . . . A 106 LYS CB . 30325 1 1128 . 1 1 106 106 LYS CG C 13 25.212 0.121 . 1 . . . . A 106 LYS CG . 30325 1 1129 . 1 1 106 106 LYS CD C 13 29.523 0.026 . 1 . . . . A 106 LYS CD . 30325 1 1130 . 1 1 106 106 LYS CE C 13 41.935 0.019 . 1 . . . . A 106 LYS CE . 30325 1 1131 . 1 1 106 106 LYS N N 15 127.25 0.042 . 1 . . . . A 106 LYS N . 30325 1 1132 . 1 1 107 107 THR H H 1 8.986 0.005 . 1 . . . . A 107 THR H . 30325 1 1133 . 1 1 107 107 THR HA H 1 5.748 0.02 . 1 . . . . A 107 THR HA . 30325 1 1134 . 1 1 107 107 THR HB H 1 3.999 0.02 . 1 . . . . A 107 THR HB . 30325 1 1135 . 1 1 107 107 THR HG21 H 1 1.255 0.02 . 1 . . . . A 107 THR HG21 . 30325 1 1136 . 1 1 107 107 THR HG22 H 1 1.255 0.02 . 1 . . . . A 107 THR HG22 . 30325 1 1137 . 1 1 107 107 THR HG23 H 1 1.255 0.02 . 1 . . . . A 107 THR HG23 . 30325 1 1138 . 1 1 107 107 THR CA C 13 61.167 0.2 . 1 . . . . A 107 THR CA . 30325 1 1139 . 1 1 107 107 THR CB C 13 70.254 0.034 . 1 . . . . A 107 THR CB . 30325 1 1140 . 1 1 107 107 THR CG2 C 13 22.982 0.003 . 1 . . . . A 107 THR CG2 . 30325 1 1141 . 1 1 107 107 THR N N 15 128.703 0.031 . 1 . . . . A 107 THR N . 30325 1 1142 . 1 1 108 108 THR H H 1 9.347 0.007 . 1 . . . . A 108 THR H . 30325 1 1143 . 1 1 108 108 THR HA H 1 5.312 0.02 . 1 . . . . A 108 THR HA . 30325 1 1144 . 1 1 108 108 THR HB H 1 3.949 0.02 . 1 . . . . A 108 THR HB . 30325 1 1145 . 1 1 108 108 THR HG21 H 1 0.978 0.02 . 1 . . . . A 108 THR HG21 . 30325 1 1146 . 1 1 108 108 THR HG22 H 1 0.978 0.02 . 1 . . . . A 108 THR HG22 . 30325 1 1147 . 1 1 108 108 THR HG23 H 1 0.978 0.02 . 1 . . . . A 108 THR HG23 . 30325 1 1148 . 1 1 108 108 THR CA C 13 59.745 0.009 . 1 . . . . A 108 THR CA . 30325 1 1149 . 1 1 108 108 THR CB C 13 72.246 0.013 . 1 . . . . A 108 THR CB . 30325 1 1150 . 1 1 108 108 THR CG2 C 13 21.341 0.2 . 1 . . . . A 108 THR CG2 . 30325 1 1151 . 1 1 108 108 THR N N 15 119.015 0.048 . 1 . . . . A 108 THR N . 30325 1 1152 . 1 1 109 109 TRP H H 1 8.301 0.004 . 1 . . . . A 109 TRP H . 30325 1 1153 . 1 1 109 109 TRP HA H 1 4.523 0.02 . 1 . . . . A 109 TRP HA . 30325 1 1154 . 1 1 109 109 TRP HB2 H 1 2.187 0.02 . 1 . . . . A 109 TRP HB2 . 30325 1 1155 . 1 1 109 109 TRP HB3 H 1 2.06 0.02 . 1 . . . . A 109 TRP HB3 . 30325 1 1156 . 1 1 109 109 TRP CA C 13 55.814 0.2 . 1 . . . . A 109 TRP CA . 30325 1 1157 . 1 1 109 109 TRP CB C 13 34.453 0.031 . 1 . . . . A 109 TRP CB . 30325 1 1158 . 1 1 109 109 TRP N N 15 119.106 0.012 . 1 . . . . A 109 TRP N . 30325 1 1159 . 1 1 110 110 THR H H 1 8.432 0.002 . 1 . . . . A 110 THR H . 30325 1 1160 . 1 1 110 110 THR HA H 1 4.461 0.002 . 1 . . . . A 110 THR HA . 30325 1 1161 . 1 1 110 110 THR HB H 1 4.103 0.002 . 1 . . . . A 110 THR HB . 30325 1 1162 . 1 1 110 110 THR HG21 H 1 1.185 0.001 . 1 . . . . A 110 THR HG21 . 30325 1 1163 . 1 1 110 110 THR HG22 H 1 1.185 0.001 . 1 . . . . A 110 THR HG22 . 30325 1 1164 . 1 1 110 110 THR HG23 H 1 1.185 0.001 . 1 . . . . A 110 THR HG23 . 30325 1 1165 . 1 1 110 110 THR CA C 13 61.87 0.2 . 1 . . . . A 110 THR CA . 30325 1 1166 . 1 1 110 110 THR CB C 13 69.959 0.019 . 1 . . . . A 110 THR CB . 30325 1 1167 . 1 1 110 110 THR CG2 C 13 22.008 0.004 . 1 . . . . A 110 THR CG2 . 30325 1 1168 . 1 1 110 110 THR N N 15 113.924 0.009 . 1 . . . . A 110 THR N . 30325 1 1169 . 1 1 111 111 GLY H H 1 8.272 0.001 . 1 . . . . A 111 GLY H . 30325 1 1170 . 1 1 111 111 GLY HA2 H 1 4.149 0.001 . 1 . . . . A 111 GLY HA2 . 30325 1 1171 . 1 1 111 111 GLY HA3 H 1 3.721 0.002 . 1 . . . . A 111 GLY HA3 . 30325 1 1172 . 1 1 111 111 GLY CA C 13 45.48 0.012 . 1 . . . . A 111 GLY CA . 30325 1 1173 . 1 1 111 111 GLY N N 15 112.517 0.018 . 1 . . . . A 111 GLY N . 30325 1 1174 . 1 1 112 112 ALA H H 1 8.18 0.02 . 1 . . . . A 112 ALA H . 30325 1 1175 . 1 1 112 112 ALA HA H 1 4.3 0.02 . 1 . . . . A 112 ALA HA . 30325 1 1176 . 1 1 112 112 ALA HB1 H 1 1.324 0.02 . 1 . . . . A 112 ALA HB1 . 30325 1 1177 . 1 1 112 112 ALA HB2 H 1 1.324 0.02 . 1 . . . . A 112 ALA HB2 . 30325 1 1178 . 1 1 112 112 ALA HB3 H 1 1.324 0.02 . 1 . . . . A 112 ALA HB3 . 30325 1 1179 . 1 1 112 112 ALA CA C 13 52.461 0.004 . 1 . . . . A 112 ALA CA . 30325 1 1180 . 1 1 112 112 ALA CB C 13 19.817 0.004 . 1 . . . . A 112 ALA CB . 30325 1 1181 . 1 1 112 112 ALA N N 15 123.409 0.005 . 1 . . . . A 112 ALA N . 30325 1 1182 . 1 1 113 113 GLY H H 1 8.418 0.001 . 1 . . . . A 113 GLY H . 30325 1 1183 . 1 1 113 113 GLY HA2 H 1 3.855 0.02 . 1 . . . . A 113 GLY HA2 . 30325 1 1184 . 1 1 113 113 GLY HA3 H 1 3.855 0.02 . 1 . . . . A 113 GLY HA3 . 30325 1 1185 . 1 1 113 113 GLY CA C 13 45.282 0.2 . 1 . . . . A 113 GLY CA . 30325 1 1186 . 1 1 113 113 GLY N N 15 108.025 0.002 . 1 . . . . A 113 GLY N . 30325 1 1187 . 1 1 114 114 GLY H H 1 8.178 0.001 . 1 . . . . A 114 GLY H . 30325 1 1188 . 1 1 114 114 GLY HA2 H 1 3.882 0.022 . 1 . . . . A 114 GLY HA2 . 30325 1 1189 . 1 1 114 114 GLY HA3 H 1 3.882 0.022 . 1 . . . . A 114 GLY HA3 . 30325 1 1190 . 1 1 114 114 GLY CA C 13 45.251 0.011 . 1 . . . . A 114 GLY CA . 30325 1 1191 . 1 1 114 114 GLY N N 15 108.499 0.001 . 1 . . . . A 114 GLY N . 30325 1 1192 . 1 1 115 115 VAL H H 1 8.009 0.001 . 1 . . . . A 115 VAL H . 30325 1 1193 . 1 1 115 115 VAL HA H 1 3.972 0.02 . 1 . . . . A 115 VAL HA . 30325 1 1194 . 1 1 115 115 VAL HB H 1 2.035 0.02 . 1 . . . . A 115 VAL HB . 30325 1 1195 . 1 1 115 115 VAL HG11 H 1 0.877 0.001 . 1 . . . . A 115 VAL HG11 . 30325 1 1196 . 1 1 115 115 VAL HG12 H 1 0.877 0.001 . 1 . . . . A 115 VAL HG12 . 30325 1 1197 . 1 1 115 115 VAL HG13 H 1 0.877 0.001 . 1 . . . . A 115 VAL HG13 . 30325 1 1198 . 1 1 115 115 VAL HG21 H 1 0.87 0.02 . 1 . . . . A 115 VAL HG21 . 30325 1 1199 . 1 1 115 115 VAL HG22 H 1 0.87 0.02 . 1 . . . . A 115 VAL HG22 . 30325 1 1200 . 1 1 115 115 VAL HG23 H 1 0.87 0.02 . 1 . . . . A 115 VAL HG23 . 30325 1 1201 . 1 1 115 115 VAL CA C 13 63.129 0.001 . 1 . . . . A 115 VAL CA . 30325 1 1202 . 1 1 115 115 VAL CB C 13 32.452 0.005 . 1 . . . . A 115 VAL CB . 30325 1 1203 . 1 1 115 115 VAL CG1 C 13 21.201 0.01 . 1 . . . . A 115 VAL CG1 . 30325 1 1204 . 1 1 115 115 VAL CG2 C 13 20.642 0.001 . 1 . . . . A 115 VAL CG2 . 30325 1 1205 . 1 1 115 115 VAL N N 15 119.495 0.004 . 1 . . . . A 115 VAL N . 30325 1 1206 . 1 1 116 116 LYS H H 1 8.385 0.001 . 1 . . . . A 116 LYS H . 30325 1 1207 . 1 1 116 116 LYS HA H 1 4.185 0.02 . 1 . . . . A 116 LYS HA . 30325 1 1208 . 1 1 116 116 LYS HB2 H 1 1.756 0.019 . 1 . . . . A 116 LYS HB2 . 30325 1 1209 . 1 1 116 116 LYS HB3 H 1 1.756 0.019 . 1 . . . . A 116 LYS HB3 . 30325 1 1210 . 1 1 116 116 LYS HG2 H 1 1.415 0.006 . 1 . . . . A 116 LYS HG2 . 30325 1 1211 . 1 1 116 116 LYS HG3 H 1 1.329 0.02 . 1 . . . . A 116 LYS HG3 . 30325 1 1212 . 1 1 116 116 LYS HD2 H 1 1.602 0.001 . 1 . . . . A 116 LYS HD2 . 30325 1 1213 . 1 1 116 116 LYS HD3 H 1 1.602 0.001 . 1 . . . . A 116 LYS HD3 . 30325 1 1214 . 1 1 116 116 LYS HE2 H 1 2.912 0.02 . 1 . . . . A 116 LYS HE2 . 30325 1 1215 . 1 1 116 116 LYS HE3 H 1 2.912 0.02 . 1 . . . . A 116 LYS HE3 . 30325 1 1216 . 1 1 116 116 LYS CA C 13 57.112 0.001 . 1 . . . . A 116 LYS CA . 30325 1 1217 . 1 1 116 116 LYS CB C 13 32.471 0.005 . 1 . . . . A 116 LYS CB . 30325 1 1218 . 1 1 116 116 LYS CG C 13 25.076 0.05 . 1 . . . . A 116 LYS CG . 30325 1 1219 . 1 1 116 116 LYS CD C 13 29.138 0.032 . 1 . . . . A 116 LYS CD . 30325 1 1220 . 1 1 116 116 LYS CE C 13 42.12 0.2 . 1 . . . . A 116 LYS CE . 30325 1 1221 . 1 1 116 116 LYS N N 15 122.479 0.012 . 1 . . . . A 116 LYS N . 30325 1 1222 . 1 1 117 117 GLY H H 1 8.113 0.004 . 1 . . . . A 117 GLY H . 30325 1 1223 . 1 1 117 117 GLY HA2 H 1 3.853 0.001 . 1 . . . . A 117 GLY HA2 . 30325 1 1224 . 1 1 117 117 GLY HA3 H 1 3.853 0.001 . 1 . . . . A 117 GLY HA3 . 30325 1 1225 . 1 1 117 117 GLY CA C 13 45.571 0.019 . 1 . . . . A 117 GLY CA . 30325 1 1226 . 1 1 117 117 GLY N N 15 109.408 0.019 . 1 . . . . A 117 GLY N . 30325 1 1227 . 1 1 118 118 PHE H H 1 7.917 0.001 . 1 . . . . A 118 PHE H . 30325 1 1228 . 1 1 118 118 PHE HA H 1 4.221 0.004 . 1 . . . . A 118 PHE HA . 30325 1 1229 . 1 1 118 118 PHE HB2 H 1 2.841 0.001 . 1 . . . . A 118 PHE HB2 . 30325 1 1230 . 1 1 118 118 PHE HB3 H 1 2.841 0.001 . 1 . . . . A 118 PHE HB3 . 30325 1 1231 . 1 1 118 118 PHE HD1 H 1 6.739 0.02 . 1 . . . . A 118 PHE HD1 . 30325 1 1232 . 1 1 118 118 PHE HD2 H 1 6.739 0.02 . 1 . . . . A 118 PHE HD2 . 30325 1 1233 . 1 1 118 118 PHE CA C 13 59.359 0.035 . 1 . . . . A 118 PHE CA . 30325 1 1234 . 1 1 118 118 PHE CB C 13 39.566 0.034 . 1 . . . . A 118 PHE CB . 30325 1 1235 . 1 1 118 118 PHE CD1 C 13 131.783 0.2 . 1 . . . . A 118 PHE CD1 . 30325 1 1236 . 1 1 118 118 PHE CD2 C 13 131.783 0.2 . 1 . . . . A 118 PHE CD2 . 30325 1 1237 . 1 1 118 118 PHE N N 15 119.985 0.009 . 1 . . . . A 118 PHE N . 30325 1 1238 . 1 1 119 119 PHE H H 1 8.119 0.006 . 1 . . . . A 119 PHE H . 30325 1 1239 . 1 1 119 119 PHE HA H 1 4.351 0.003 . 1 . . . . A 119 PHE HA . 30325 1 1240 . 1 1 119 119 PHE HB2 H 1 2.793 0.02 . 1 . . . . A 119 PHE HB2 . 30325 1 1241 . 1 1 119 119 PHE HB3 H 1 2.793 0.02 . 1 . . . . A 119 PHE HB3 . 30325 1 1242 . 1 1 119 119 PHE CA C 13 58.022 0.002 . 1 . . . . A 119 PHE CA . 30325 1 1243 . 1 1 119 119 PHE CB C 13 39.688 0.2 . 1 . . . . A 119 PHE CB . 30325 1 1244 . 1 1 119 119 PHE N N 15 120.142 0.013 . 1 . . . . A 119 PHE N . 30325 1 1245 . 1 1 120 120 GLU H H 1 8.427 0.007 . 1 . . . . A 120 GLU H . 30325 1 1246 . 1 1 120 120 GLU HA H 1 4.139 0.001 . 1 . . . . A 120 GLU HA . 30325 1 1247 . 1 1 120 120 GLU HB2 H 1 2.02 0.008 . 1 . . . . A 120 GLU HB2 . 30325 1 1248 . 1 1 120 120 GLU HB3 H 1 1.925 0.019 . 1 . . . . A 120 GLU HB3 . 30325 1 1249 . 1 1 120 120 GLU HG2 H 1 2.208 0.011 . 1 . . . . A 120 GLU HG2 . 30325 1 1250 . 1 1 120 120 GLU HG3 H 1 2.208 0.011 . 1 . . . . A 120 GLU HG3 . 30325 1 1251 . 1 1 120 120 GLU CA C 13 57.062 0.027 . 1 . . . . A 120 GLU CA . 30325 1 1252 . 1 1 120 120 GLU CB C 13 30.259 0.088 . 1 . . . . A 120 GLU CB . 30325 1 1253 . 1 1 120 120 GLU CG C 13 36.404 0.08 . 1 . . . . A 120 GLU CG . 30325 1 1254 . 1 1 120 120 GLU N N 15 121.285 0.096 . 1 . . . . A 120 GLU N . 30325 1 1255 . 1 1 121 121 LYS H H 1 8.352 0.008 . 1 . . . . A 121 LYS H . 30325 1 1256 . 1 1 121 121 LYS HA H 1 4.153 0.002 . 1 . . . . A 121 LYS HA . 30325 1 1257 . 1 1 121 121 LYS HB2 H 1 1.761 0.005 . 1 . . . . A 121 LYS HB2 . 30325 1 1258 . 1 1 121 121 LYS HB3 H 1 1.761 0.005 . 1 . . . . A 121 LYS HB3 . 30325 1 1259 . 1 1 121 121 LYS HG2 H 1 1.391 0.01 . 1 . . . . A 121 LYS HG2 . 30325 1 1260 . 1 1 121 121 LYS HG3 H 1 1.391 0.01 . 1 . . . . A 121 LYS HG3 . 30325 1 1261 . 1 1 121 121 LYS HD2 H 1 1.618 0.003 . 1 . . . . A 121 LYS HD2 . 30325 1 1262 . 1 1 121 121 LYS HD3 H 1 1.618 0.003 . 1 . . . . A 121 LYS HD3 . 30325 1 1263 . 1 1 121 121 LYS CA C 13 57.562 0.046 . 1 . . . . A 121 LYS CA . 30325 1 1264 . 1 1 121 121 LYS CB C 13 32.663 0.012 . 1 . . . . A 121 LYS CB . 30325 1 1265 . 1 1 121 121 LYS CG C 13 25.027 0.044 . 1 . . . . A 121 LYS CG . 30325 1 1266 . 1 1 121 121 LYS CD C 13 29.282 0.049 . 1 . . . . A 121 LYS CD . 30325 1 1267 . 1 1 121 121 LYS N N 15 120.483 0.025 . 1 . . . . A 121 LYS N . 30325 1 1268 . 1 1 122 122 THR H H 1 7.676 0.004 . 1 . . . . A 122 THR H . 30325 1 1269 . 1 1 122 122 THR HA H 1 4.046 0.001 . 1 . . . . A 122 THR HA . 30325 1 1270 . 1 1 122 122 THR HB H 1 4.01 0.002 . 1 . . . . A 122 THR HB . 30325 1 1271 . 1 1 122 122 THR HG21 H 1 0.998 0.004 . 1 . . . . A 122 THR HG21 . 30325 1 1272 . 1 1 122 122 THR HG22 H 1 0.998 0.004 . 1 . . . . A 122 THR HG22 . 30325 1 1273 . 1 1 122 122 THR HG23 H 1 0.998 0.004 . 1 . . . . A 122 THR HG23 . 30325 1 1274 . 1 1 122 122 THR CA C 13 62.144 0.015 . 1 . . . . A 122 THR CA . 30325 1 1275 . 1 1 122 122 THR CB C 13 69.487 0.038 . 1 . . . . A 122 THR CB . 30325 1 1276 . 1 1 122 122 THR CG2 C 13 21.669 0.022 . 1 . . . . A 122 THR CG2 . 30325 1 1277 . 1 1 122 122 THR N N 15 111.391 0.044 . 1 . . . . A 122 THR N . 30325 1 1278 . 1 1 123 123 PHE H H 1 7.655 0.004 . 1 . . . . A 123 PHE H . 30325 1 1279 . 1 1 123 123 PHE HA H 1 4.394 0.002 . 1 . . . . A 123 PHE HA . 30325 1 1280 . 1 1 123 123 PHE HB2 H 1 2.784 0.014 . 1 . . . . A 123 PHE HB2 . 30325 1 1281 . 1 1 123 123 PHE HB3 H 1 2.444 0.02 . 1 . . . . A 123 PHE HB3 . 30325 1 1282 . 1 1 123 123 PHE HD1 H 1 6.729 0.005 . 1 . . . . A 123 PHE HD1 . 30325 1 1283 . 1 1 123 123 PHE HD2 H 1 6.729 0.005 . 1 . . . . A 123 PHE HD2 . 30325 1 1284 . 1 1 123 123 PHE CA C 13 57.507 0.01 . 1 . . . . A 123 PHE CA . 30325 1 1285 . 1 1 123 123 PHE CB C 13 39.827 0.037 . 1 . . . . A 123 PHE CB . 30325 1 1286 . 1 1 123 123 PHE CD1 C 13 131.692 0.077 . 1 . . . . A 123 PHE CD1 . 30325 1 1287 . 1 1 123 123 PHE CD2 C 13 131.692 0.077 . 1 . . . . A 123 PHE CD2 . 30325 1 1288 . 1 1 123 123 PHE N N 15 121.222 0.048 . 1 . . . . A 123 PHE N . 30325 1 1289 . 1 1 124 124 ALA H H 1 8.13 0.005 . 1 . . . . A 124 ALA H . 30325 1 1290 . 1 1 124 124 ALA HA H 1 3.742 0.02 . 1 . . . . A 124 ALA HA . 30325 1 1291 . 1 1 124 124 ALA HB1 H 1 1.35 0.02 . 1 . . . . A 124 ALA HB1 . 30325 1 1292 . 1 1 124 124 ALA HB2 H 1 1.35 0.02 . 1 . . . . A 124 ALA HB2 . 30325 1 1293 . 1 1 124 124 ALA HB3 H 1 1.35 0.02 . 1 . . . . A 124 ALA HB3 . 30325 1 1294 . 1 1 124 124 ALA CA C 13 50.65 0.2 . 1 . . . . A 124 ALA CA . 30325 1 1295 . 1 1 124 124 ALA CB C 13 18.637 0.2 . 1 . . . . A 124 ALA CB . 30325 1 1296 . 1 1 124 124 ALA N N 15 127.1 0.05 . 1 . . . . A 124 ALA N . 30325 1 1297 . 1 1 125 125 PRO HA H 1 4.214 0.02 . 1 . . . . A 125 PRO HA . 30325 1 1298 . 1 1 125 125 PRO HB2 H 1 2.286 0.003 . 1 . . . . A 125 PRO HB2 . 30325 1 1299 . 1 1 125 125 PRO HB3 H 1 1.971 0.015 . 1 . . . . A 125 PRO HB3 . 30325 1 1300 . 1 1 125 125 PRO HG2 H 1 2.061 0.007 . 1 . . . . A 125 PRO HG2 . 30325 1 1301 . 1 1 125 125 PRO HG3 H 1 1.844 0.005 . 1 . . . . A 125 PRO HG3 . 30325 1 1302 . 1 1 125 125 PRO HD2 H 1 3.759 0.001 . 1 . . . . A 125 PRO HD2 . 30325 1 1303 . 1 1 125 125 PRO HD3 H 1 3.759 0.001 . 1 . . . . A 125 PRO HD3 . 30325 1 1304 . 1 1 125 125 PRO CA C 13 65.837 0.2 . 1 . . . . A 125 PRO CA . 30325 1 1305 . 1 1 125 125 PRO CB C 13 31.85 0.061 . 1 . . . . A 125 PRO CB . 30325 1 1306 . 1 1 125 125 PRO CG C 13 27.885 0.073 . 1 . . . . A 125 PRO CG . 30325 1 1307 . 1 1 125 125 PRO CD C 13 50.655 0.2 . 1 . . . . A 125 PRO CD . 30325 1 1308 . 1 1 126 126 LEU H H 1 8.098 0.009 . 1 . . . . A 126 LEU H . 30325 1 1309 . 1 1 126 126 LEU HA H 1 4.053 0.003 . 1 . . . . A 126 LEU HA . 30325 1 1310 . 1 1 126 126 LEU HB2 H 1 1.639 0.005 . 1 . . . . A 126 LEU HB2 . 30325 1 1311 . 1 1 126 126 LEU HB3 H 1 1.504 0.004 . 1 . . . . A 126 LEU HB3 . 30325 1 1312 . 1 1 126 126 LEU HG H 1 1.533 0.005 . 1 . . . . A 126 LEU HG . 30325 1 1313 . 1 1 126 126 LEU HD11 H 1 0.825 0.02 . 1 . . . . A 126 LEU HD11 . 30325 1 1314 . 1 1 126 126 LEU HD12 H 1 0.825 0.02 . 1 . . . . A 126 LEU HD12 . 30325 1 1315 . 1 1 126 126 LEU HD13 H 1 0.825 0.02 . 1 . . . . A 126 LEU HD13 . 30325 1 1316 . 1 1 126 126 LEU HD21 H 1 0.871 0.019 . 1 . . . . A 126 LEU HD21 . 30325 1 1317 . 1 1 126 126 LEU HD22 H 1 0.871 0.019 . 1 . . . . A 126 LEU HD22 . 30325 1 1318 . 1 1 126 126 LEU HD23 H 1 0.871 0.019 . 1 . . . . A 126 LEU HD23 . 30325 1 1319 . 1 1 126 126 LEU CA C 13 57.793 0.016 . 1 . . . . A 126 LEU CA . 30325 1 1320 . 1 1 126 126 LEU CB C 13 41.632 0.05 . 1 . . . . A 126 LEU CB . 30325 1 1321 . 1 1 126 126 LEU CG C 13 27.202 0.076 . 1 . . . . A 126 LEU CG . 30325 1 1322 . 1 1 126 126 LEU CD1 C 13 24.491 0.066 . 1 . . . . A 126 LEU CD1 . 30325 1 1323 . 1 1 126 126 LEU CD2 C 13 24.162 0.206 . 1 . . . . A 126 LEU CD2 . 30325 1 1324 . 1 1 126 126 LEU N N 15 118.336 0.054 . 1 . . . . A 126 LEU N . 30325 1 1325 . 1 1 127 127 GLY H H 1 7.556 0.004 . 1 . . . . A 127 GLY H . 30325 1 1326 . 1 1 127 127 GLY HA2 H 1 3.789 0.02 . 1 . . . . A 127 GLY HA2 . 30325 1 1327 . 1 1 127 127 GLY HA3 H 1 3.729 0.02 . 1 . . . . A 127 GLY HA3 . 30325 1 1328 . 1 1 127 127 GLY CA C 13 46.837 0.001 . 1 . . . . A 127 GLY CA . 30325 1 1329 . 1 1 127 127 GLY N N 15 105.537 0.037 . 1 . . . . A 127 GLY N . 30325 1 1330 . 1 1 128 128 LEU H H 1 7.707 0.011 . 1 . . . . A 128 LEU H . 30325 1 1331 . 1 1 128 128 LEU HA H 1 4 0.02 . 1 . . . . A 128 LEU HA . 30325 1 1332 . 1 1 128 128 LEU HB2 H 1 1.46 0.008 . 1 . . . . A 128 LEU HB2 . 30325 1 1333 . 1 1 128 128 LEU HB3 H 1 1.155 0.006 . 1 . . . . A 128 LEU HB3 . 30325 1 1334 . 1 1 128 128 LEU HG H 1 1.241 0.02 . 1 . . . . A 128 LEU HG . 30325 1 1335 . 1 1 128 128 LEU HD11 H 1 0.469 0.02 . 1 . . . . A 128 LEU HD11 . 30325 1 1336 . 1 1 128 128 LEU HD12 H 1 0.469 0.02 . 1 . . . . A 128 LEU HD12 . 30325 1 1337 . 1 1 128 128 LEU HD13 H 1 0.469 0.02 . 1 . . . . A 128 LEU HD13 . 30325 1 1338 . 1 1 128 128 LEU HD21 H 1 0.498 0.02 . 1 . . . . A 128 LEU HD21 . 30325 1 1339 . 1 1 128 128 LEU HD22 H 1 0.498 0.02 . 1 . . . . A 128 LEU HD22 . 30325 1 1340 . 1 1 128 128 LEU HD23 H 1 0.498 0.02 . 1 . . . . A 128 LEU HD23 . 30325 1 1341 . 1 1 128 128 LEU CA C 13 56.683 0.2 . 1 . . . . A 128 LEU CA . 30325 1 1342 . 1 1 128 128 LEU CB C 13 41.481 0.091 . 1 . . . . A 128 LEU CB . 30325 1 1343 . 1 1 128 128 LEU CG C 13 27.247 0.2 . 1 . . . . A 128 LEU CG . 30325 1 1344 . 1 1 128 128 LEU CD1 C 13 25.399 0.2 . 1 . . . . A 128 LEU CD1 . 30325 1 1345 . 1 1 128 128 LEU CD2 C 13 23.064 0.2 . 1 . . . . A 128 LEU CD2 . 30325 1 1346 . 1 1 128 128 LEU N N 15 121.311 0.043 . 1 . . . . A 128 LEU N . 30325 1 1347 . 1 1 129 129 ARG H H 1 8.367 0.007 . 1 . . . . A 129 ARG H . 30325 1 1348 . 1 1 129 129 ARG HA H 1 3.539 0.005 . 1 . . . . A 129 ARG HA . 30325 1 1349 . 1 1 129 129 ARG HB2 H 1 1.969 0.003 . 1 . . . . A 129 ARG HB2 . 30325 1 1350 . 1 1 129 129 ARG HB3 H 1 1.841 0.02 . 1 . . . . A 129 ARG HB3 . 30325 1 1351 . 1 1 129 129 ARG HG2 H 1 1.73 0.02 . 1 . . . . A 129 ARG HG2 . 30325 1 1352 . 1 1 129 129 ARG HG3 H 1 1.554 0.003 . 1 . . . . A 129 ARG HG3 . 30325 1 1353 . 1 1 129 129 ARG HD2 H 1 3.277 0.02 . 1 . . . . A 129 ARG HD2 . 30325 1 1354 . 1 1 129 129 ARG HD3 H 1 3.148 0.02 . 1 . . . . A 129 ARG HD3 . 30325 1 1355 . 1 1 129 129 ARG HE H 1 7.424 0.002 . 1 . . . . A 129 ARG HE . 30325 1 1356 . 1 1 129 129 ARG CA C 13 60.561 0.035 . 1 . . . . A 129 ARG CA . 30325 1 1357 . 1 1 129 129 ARG CB C 13 29.916 0.01 . 1 . . . . A 129 ARG CB . 30325 1 1358 . 1 1 129 129 ARG CG C 13 27.437 0.051 . 1 . . . . A 129 ARG CG . 30325 1 1359 . 1 1 129 129 ARG CD C 13 43.986 0.009 . 1 . . . . A 129 ARG CD . 30325 1 1360 . 1 1 129 129 ARG N N 15 120.926 0.06 . 1 . . . . A 129 ARG N . 30325 1 1361 . 1 1 129 129 ARG NE N 15 85.791 0.026 . 1 . . . . A 129 ARG NE . 30325 1 1362 . 1 1 130 130 ARG H H 1 7.569 0.005 . 1 . . . . A 130 ARG H . 30325 1 1363 . 1 1 130 130 ARG HA H 1 4.067 0.02 . 1 . . . . A 130 ARG HA . 30325 1 1364 . 1 1 130 130 ARG HB2 H 1 1.85 0.02 . 1 . . . . A 130 ARG HB2 . 30325 1 1365 . 1 1 130 130 ARG HB3 H 1 1.85 0.02 . 1 . . . . A 130 ARG HB3 . 30325 1 1366 . 1 1 130 130 ARG HG2 H 1 1.789 0.02 . 1 . . . . A 130 ARG HG2 . 30325 1 1367 . 1 1 130 130 ARG HG3 H 1 1.682 0.02 . 1 . . . . A 130 ARG HG3 . 30325 1 1368 . 1 1 130 130 ARG HD2 H 1 3.174 0.02 . 1 . . . . A 130 ARG HD2 . 30325 1 1369 . 1 1 130 130 ARG HD3 H 1 3.174 0.02 . 1 . . . . A 130 ARG HD3 . 30325 1 1370 . 1 1 130 130 ARG HE H 1 7.242 0.02 . 1 . . . . A 130 ARG HE . 30325 1 1371 . 1 1 130 130 ARG CA C 13 59.244 0.2 . 1 . . . . A 130 ARG CA . 30325 1 1372 . 1 1 130 130 ARG CB C 13 29.951 0.2 . 1 . . . . A 130 ARG CB . 30325 1 1373 . 1 1 130 130 ARG CG C 13 27.549 0.2 . 1 . . . . A 130 ARG CG . 30325 1 1374 . 1 1 130 130 ARG CD C 13 43.382 0.01 . 1 . . . . A 130 ARG CD . 30325 1 1375 . 1 1 130 130 ARG N N 15 115.972 0.016 . 1 . . . . A 130 ARG N . 30325 1 1376 . 1 1 130 130 ARG NE N 15 84.804 0.2 . 1 . . . . A 130 ARG NE . 30325 1 1377 . 1 1 131 131 ILE H H 1 7.162 0.004 . 1 . . . . A 131 ILE H . 30325 1 1378 . 1 1 131 131 ILE HA H 1 3.389 0.02 . 1 . . . . A 131 ILE HA . 30325 1 1379 . 1 1 131 131 ILE HB H 1 1.621 0.02 . 1 . . . . A 131 ILE HB . 30325 1 1380 . 1 1 131 131 ILE HG12 H 1 1.298 0.02 . 1 . . . . A 131 ILE HG12 . 30325 1 1381 . 1 1 131 131 ILE HG13 H 1 -0.742 0.02 . 1 . . . . A 131 ILE HG13 . 30325 1 1382 . 1 1 131 131 ILE HG21 H 1 0.659 0.02 . 1 . . . . A 131 ILE HG21 . 30325 1 1383 . 1 1 131 131 ILE HG22 H 1 0.659 0.02 . 1 . . . . A 131 ILE HG22 . 30325 1 1384 . 1 1 131 131 ILE HG23 H 1 0.659 0.02 . 1 . . . . A 131 ILE HG23 . 30325 1 1385 . 1 1 131 131 ILE HD11 H 1 0.384 0.02 . 1 . . . . A 131 ILE HD11 . 30325 1 1386 . 1 1 131 131 ILE HD12 H 1 0.384 0.02 . 1 . . . . A 131 ILE HD12 . 30325 1 1387 . 1 1 131 131 ILE HD13 H 1 0.384 0.02 . 1 . . . . A 131 ILE HD13 . 30325 1 1388 . 1 1 131 131 ILE CA C 13 65.838 0.2 . 1 . . . . A 131 ILE CA . 30325 1 1389 . 1 1 131 131 ILE CB C 13 38.584 0.2 . 1 . . . . A 131 ILE CB . 30325 1 1390 . 1 1 131 131 ILE CG1 C 13 27.517 0.028 . 1 . . . . A 131 ILE CG1 . 30325 1 1391 . 1 1 131 131 ILE CG2 C 13 16.54 0.2 . 1 . . . . A 131 ILE CG2 . 30325 1 1392 . 1 1 131 131 ILE CD1 C 13 14.393 0.2 . 1 . . . . A 131 ILE CD1 . 30325 1 1393 . 1 1 131 131 ILE N N 15 121.841 0.02 . 1 . . . . A 131 ILE N . 30325 1 1394 . 1 1 132 132 GLN H H 1 8.212 0.008 . 1 . . . . A 132 GLN H . 30325 1 1395 . 1 1 132 132 GLN HA H 1 3.574 0.004 . 1 . . . . A 132 GLN HA . 30325 1 1396 . 1 1 132 132 GLN HB2 H 1 2.498 0.023 . 1 . . . . A 132 GLN HB2 . 30325 1 1397 . 1 1 132 132 GLN HB3 H 1 1.498 0.004 . 1 . . . . A 132 GLN HB3 . 30325 1 1398 . 1 1 132 132 GLN HG2 H 1 2.538 0.02 . 1 . . . . A 132 GLN HG2 . 30325 1 1399 . 1 1 132 132 GLN HG3 H 1 1.877 0.02 . 1 . . . . A 132 GLN HG3 . 30325 1 1400 . 1 1 132 132 GLN CA C 13 59.09 0.005 . 1 . . . . A 132 GLN CA . 30325 1 1401 . 1 1 132 132 GLN CB C 13 27.875 0.172 . 1 . . . . A 132 GLN CB . 30325 1 1402 . 1 1 132 132 GLN CG C 13 35.661 0.027 . 1 . . . . A 132 GLN CG . 30325 1 1403 . 1 1 132 132 GLN N N 15 116.809 0.058 . 1 . . . . A 132 GLN N . 30325 1 1404 . 1 1 133 133 ASP H H 1 8.59 0.005 . 1 . . . . A 133 ASP H . 30325 1 1405 . 1 1 133 133 ASP HA H 1 4.216 0.02 . 1 . . . . A 133 ASP HA . 30325 1 1406 . 1 1 133 133 ASP HB2 H 1 2.825 0.02 . 1 . . . . A 133 ASP HB2 . 30325 1 1407 . 1 1 133 133 ASP HB3 H 1 2.663 0.02 . 1 . . . . A 133 ASP HB3 . 30325 1 1408 . 1 1 133 133 ASP CA C 13 57.556 0.2 . 1 . . . . A 133 ASP CA . 30325 1 1409 . 1 1 133 133 ASP CB C 13 39.999 0.018 . 1 . . . . A 133 ASP CB . 30325 1 1410 . 1 1 133 133 ASP N N 15 118.66 0.024 . 1 . . . . A 133 ASP N . 30325 1 1411 . 1 1 134 134 GLU H H 1 7.318 0.002 . 1 . . . . A 134 GLU H . 30325 1 1412 . 1 1 134 134 GLU HA H 1 4.018 0.02 . 1 . . . . A 134 GLU HA . 30325 1 1413 . 1 1 134 134 GLU HB2 H 1 2.225 0.02 . 1 . . . . A 134 GLU HB2 . 30325 1 1414 . 1 1 134 134 GLU HB3 H 1 2.225 0.02 . 1 . . . . A 134 GLU HB3 . 30325 1 1415 . 1 1 134 134 GLU HG2 H 1 2.534 0.02 . 1 . . . . A 134 GLU HG2 . 30325 1 1416 . 1 1 134 134 GLU HG3 H 1 2.144 0.02 . 1 . . . . A 134 GLU HG3 . 30325 1 1417 . 1 1 134 134 GLU CA C 13 59.866 0.2 . 1 . . . . A 134 GLU CA . 30325 1 1418 . 1 1 134 134 GLU CB C 13 29.609 0.2 . 1 . . . . A 134 GLU CB . 30325 1 1419 . 1 1 134 134 GLU CG C 13 36.182 0.003 . 1 . . . . A 134 GLU CG . 30325 1 1420 . 1 1 134 134 GLU N N 15 121.085 0.008 . 1 . . . . A 134 GLU N . 30325 1 1421 . 1 1 135 135 VAL H H 1 7.871 0.004 . 1 . . . . A 135 VAL H . 30325 1 1422 . 1 1 135 135 VAL HA H 1 3.776 0.014 . 1 . . . . A 135 VAL HA . 30325 1 1423 . 1 1 135 135 VAL HB H 1 2.058 0.005 . 1 . . . . A 135 VAL HB . 30325 1 1424 . 1 1 135 135 VAL HG11 H 1 1.129 0.001 . 1 . . . . A 135 VAL HG11 . 30325 1 1425 . 1 1 135 135 VAL HG12 H 1 1.129 0.001 . 1 . . . . A 135 VAL HG12 . 30325 1 1426 . 1 1 135 135 VAL HG13 H 1 1.129 0.001 . 1 . . . . A 135 VAL HG13 . 30325 1 1427 . 1 1 135 135 VAL HG21 H 1 0.746 0.001 . 1 . . . . A 135 VAL HG21 . 30325 1 1428 . 1 1 135 135 VAL HG22 H 1 0.746 0.001 . 1 . . . . A 135 VAL HG22 . 30325 1 1429 . 1 1 135 135 VAL HG23 H 1 0.746 0.001 . 1 . . . . A 135 VAL HG23 . 30325 1 1430 . 1 1 135 135 VAL CA C 13 66.531 0.06 . 1 . . . . A 135 VAL CA . 30325 1 1431 . 1 1 135 135 VAL CB C 13 31.733 0.001 . 1 . . . . A 135 VAL CB . 30325 1 1432 . 1 1 135 135 VAL CG1 C 13 23.07 0.017 . 1 . . . . A 135 VAL CG1 . 30325 1 1433 . 1 1 135 135 VAL CG2 C 13 20.765 0.003 . 1 . . . . A 135 VAL CG2 . 30325 1 1434 . 1 1 135 135 VAL N N 15 120.292 0.017 . 1 . . . . A 135 VAL N . 30325 1 1435 . 1 1 136 136 LEU H H 1 8.753 0.004 . 1 . . . . A 136 LEU H . 30325 1 1436 . 1 1 136 136 LEU HA H 1 3.962 0.001 . 1 . . . . A 136 LEU HA . 30325 1 1437 . 1 1 136 136 LEU HB2 H 1 1.928 0.02 . 1 . . . . A 136 LEU HB2 . 30325 1 1438 . 1 1 136 136 LEU HB3 H 1 1.188 0.006 . 1 . . . . A 136 LEU HB3 . 30325 1 1439 . 1 1 136 136 LEU HG H 1 1.671 0.02 . 1 . . . . A 136 LEU HG . 30325 1 1440 . 1 1 136 136 LEU HD11 H 1 0.554 0.001 . 1 . . . . A 136 LEU HD11 . 30325 1 1441 . 1 1 136 136 LEU HD12 H 1 0.554 0.001 . 1 . . . . A 136 LEU HD12 . 30325 1 1442 . 1 1 136 136 LEU HD13 H 1 0.554 0.001 . 1 . . . . A 136 LEU HD13 . 30325 1 1443 . 1 1 136 136 LEU HD21 H 1 0.633 0.02 . 1 . . . . A 136 LEU HD21 . 30325 1 1444 . 1 1 136 136 LEU HD22 H 1 0.633 0.02 . 1 . . . . A 136 LEU HD22 . 30325 1 1445 . 1 1 136 136 LEU HD23 H 1 0.633 0.02 . 1 . . . . A 136 LEU HD23 . 30325 1 1446 . 1 1 136 136 LEU CA C 13 58.016 0.02 . 1 . . . . A 136 LEU CA . 30325 1 1447 . 1 1 136 136 LEU CB C 13 40.047 0.052 . 1 . . . . A 136 LEU CB . 30325 1 1448 . 1 1 136 136 LEU CG C 13 26.7 0.2 . 1 . . . . A 136 LEU CG . 30325 1 1449 . 1 1 136 136 LEU CD1 C 13 26.098 0.038 . 1 . . . . A 136 LEU CD1 . 30325 1 1450 . 1 1 136 136 LEU CD2 C 13 23.79 0.005 . 1 . . . . A 136 LEU CD2 . 30325 1 1451 . 1 1 136 136 LEU N N 15 118.587 0.019 . 1 . . . . A 136 LEU N . 30325 1 1452 . 1 1 137 137 GLU H H 1 8.03 0.002 . 1 . . . . A 137 GLU H . 30325 1 1453 . 1 1 137 137 GLU HA H 1 3.997 0.003 . 1 . . . . A 137 GLU HA . 30325 1 1454 . 1 1 137 137 GLU HB2 H 1 2.114 0.004 . 1 . . . . A 137 GLU HB2 . 30325 1 1455 . 1 1 137 137 GLU HB3 H 1 2.114 0.004 . 1 . . . . A 137 GLU HB3 . 30325 1 1456 . 1 1 137 137 GLU HG2 H 1 2.308 0.001 . 1 . . . . A 137 GLU HG2 . 30325 1 1457 . 1 1 137 137 GLU HG3 H 1 2.308 0.001 . 1 . . . . A 137 GLU HG3 . 30325 1 1458 . 1 1 137 137 GLU CA C 13 59.472 0.025 . 1 . . . . A 137 GLU CA . 30325 1 1459 . 1 1 137 137 GLU CB C 13 28.651 0.004 . 1 . . . . A 137 GLU CB . 30325 1 1460 . 1 1 137 137 GLU CG C 13 35.961 0.004 . 1 . . . . A 137 GLU CG . 30325 1 1461 . 1 1 137 137 GLU N N 15 120.909 0.011 . 1 . . . . A 137 GLU N . 30325 1 1462 . 1 1 138 138 ASN H H 1 8.282 0.001 . 1 . . . . A 138 ASN H . 30325 1 1463 . 1 1 138 138 ASN HA H 1 4.421 0.02 . 1 . . . . A 138 ASN HA . 30325 1 1464 . 1 1 138 138 ASN HB2 H 1 3.54 0.021 . 1 . . . . A 138 ASN HB2 . 30325 1 1465 . 1 1 138 138 ASN HB3 H 1 2.548 0.008 . 1 . . . . A 138 ASN HB3 . 30325 1 1466 . 1 1 138 138 ASN HD21 H 1 7.298 0.003 . 1 . . . . A 138 ASN HD21 . 30325 1 1467 . 1 1 138 138 ASN HD22 H 1 7.096 0.003 . 1 . . . . A 138 ASN HD22 . 30325 1 1468 . 1 1 138 138 ASN CA C 13 55.476 0.005 . 1 . . . . A 138 ASN CA . 30325 1 1469 . 1 1 138 138 ASN CB C 13 37.103 0.112 . 1 . . . . A 138 ASN CB . 30325 1 1470 . 1 1 138 138 ASN N N 15 120.092 0.009 . 1 . . . . A 138 ASN N . 30325 1 1471 . 1 1 138 138 ASN ND2 N 15 110.041 0.039 . 1 . . . . A 138 ASN ND2 . 30325 1 1472 . 1 1 139 139 LEU H H 1 8.862 0.003 . 1 . . . . A 139 LEU H . 30325 1 1473 . 1 1 139 139 LEU HA H 1 3.912 0.001 . 1 . . . . A 139 LEU HA . 30325 1 1474 . 1 1 139 139 LEU HB2 H 1 2.301 0.004 . 1 . . . . A 139 LEU HB2 . 30325 1 1475 . 1 1 139 139 LEU HB3 H 1 1.407 0.004 . 1 . . . . A 139 LEU HB3 . 30325 1 1476 . 1 1 139 139 LEU HG H 1 1.398 0.001 . 1 . . . . A 139 LEU HG . 30325 1 1477 . 1 1 139 139 LEU HD11 H 1 0.794 0.01 . 1 . . . . A 139 LEU HD11 . 30325 1 1478 . 1 1 139 139 LEU HD12 H 1 0.794 0.01 . 1 . . . . A 139 LEU HD12 . 30325 1 1479 . 1 1 139 139 LEU HD13 H 1 0.794 0.01 . 1 . . . . A 139 LEU HD13 . 30325 1 1480 . 1 1 139 139 LEU HD21 H 1 0.593 0.004 . 1 . . . . A 139 LEU HD21 . 30325 1 1481 . 1 1 139 139 LEU HD22 H 1 0.593 0.004 . 1 . . . . A 139 LEU HD22 . 30325 1 1482 . 1 1 139 139 LEU HD23 H 1 0.593 0.004 . 1 . . . . A 139 LEU HD23 . 30325 1 1483 . 1 1 139 139 LEU CA C 13 58.516 0.002 . 1 . . . . A 139 LEU CA . 30325 1 1484 . 1 1 139 139 LEU CB C 13 41.06 0.091 . 1 . . . . A 139 LEU CB . 30325 1 1485 . 1 1 139 139 LEU CG C 13 27.076 0.008 . 1 . . . . A 139 LEU CG . 30325 1 1486 . 1 1 139 139 LEU CD1 C 13 27.3 0.007 . 1 . . . . A 139 LEU CD1 . 30325 1 1487 . 1 1 139 139 LEU CD2 C 13 22.373 0.001 . 1 . . . . A 139 LEU CD2 . 30325 1 1488 . 1 1 139 139 LEU N N 15 124.432 0.025 . 1 . . . . A 139 LEU N . 30325 1 1489 . 1 1 140 140 LYS H H 1 8.412 0.005 . 1 . . . . A 140 LYS H . 30325 1 1490 . 1 1 140 140 LYS HA H 1 3.582 0.02 . 1 . . . . A 140 LYS HA . 30325 1 1491 . 1 1 140 140 LYS HB2 H 1 2.156 0.013 . 1 . . . . A 140 LYS HB2 . 30325 1 1492 . 1 1 140 140 LYS HB3 H 1 1.558 0.011 . 1 . . . . A 140 LYS HB3 . 30325 1 1493 . 1 1 140 140 LYS HG2 H 1 1.45 0.02 . 1 . . . . A 140 LYS HG2 . 30325 1 1494 . 1 1 140 140 LYS HG3 H 1 1.097 0.02 . 1 . . . . A 140 LYS HG3 . 30325 1 1495 . 1 1 140 140 LYS HD2 H 1 1.688 0.013 . 1 . . . . A 140 LYS HD2 . 30325 1 1496 . 1 1 140 140 LYS HD3 H 1 1.688 0.013 . 1 . . . . A 140 LYS HD3 . 30325 1 1497 . 1 1 140 140 LYS HE2 H 1 3.176 0.001 . 1 . . . . A 140 LYS HE2 . 30325 1 1498 . 1 1 140 140 LYS HE3 H 1 2.999 0.02 . 1 . . . . A 140 LYS HE3 . 30325 1 1499 . 1 1 140 140 LYS CA C 13 60.453 0.2 . 1 . . . . A 140 LYS CA . 30325 1 1500 . 1 1 140 140 LYS CB C 13 33.135 0.065 . 1 . . . . A 140 LYS CB . 30325 1 1501 . 1 1 140 140 LYS CG C 13 24.529 0.2 . 1 . . . . A 140 LYS CG . 30325 1 1502 . 1 1 140 140 LYS CD C 13 30.119 0.056 . 1 . . . . A 140 LYS CD . 30325 1 1503 . 1 1 140 140 LYS CE C 13 42.381 0.01 . 1 . . . . A 140 LYS CE . 30325 1 1504 . 1 1 140 140 LYS N N 15 120.631 0.034 . 1 . . . . A 140 LYS N . 30325 1 1505 . 1 1 141 141 LYS H H 1 8.01 0.008 . 1 . . . . A 141 LYS H . 30325 1 1506 . 1 1 141 141 LYS HA H 1 4.041 0.02 . 1 . . . . A 141 LYS HA . 30325 1 1507 . 1 1 141 141 LYS HB2 H 1 1.838 0.02 . 1 . . . . A 141 LYS HB2 . 30325 1 1508 . 1 1 141 141 LYS HB3 H 1 1.838 0.02 . 1 . . . . A 141 LYS HB3 . 30325 1 1509 . 1 1 141 141 LYS HG2 H 1 1.548 0.003 . 1 . . . . A 141 LYS HG2 . 30325 1 1510 . 1 1 141 141 LYS HG3 H 1 1.428 0.003 . 1 . . . . A 141 LYS HG3 . 30325 1 1511 . 1 1 141 141 LYS HD2 H 1 1.665 0.004 . 1 . . . . A 141 LYS HD2 . 30325 1 1512 . 1 1 141 141 LYS HD3 H 1 1.665 0.004 . 1 . . . . A 141 LYS HD3 . 30325 1 1513 . 1 1 141 141 LYS HE2 H 1 2.921 0.005 . 1 . . . . A 141 LYS HE2 . 30325 1 1514 . 1 1 141 141 LYS HE3 H 1 2.921 0.005 . 1 . . . . A 141 LYS HE3 . 30325 1 1515 . 1 1 141 141 LYS CA C 13 58.817 0.2 . 1 . . . . A 141 LYS CA . 30325 1 1516 . 1 1 141 141 LYS CB C 13 32.469 0.014 . 1 . . . . A 141 LYS CB . 30325 1 1517 . 1 1 141 141 LYS CG C 13 25.279 0.039 . 1 . . . . A 141 LYS CG . 30325 1 1518 . 1 1 141 141 LYS CD C 13 29.178 0.004 . 1 . . . . A 141 LYS CD . 30325 1 1519 . 1 1 141 141 LYS CE C 13 42.144 0.072 . 1 . . . . A 141 LYS CE . 30325 1 1520 . 1 1 141 141 LYS N N 15 116.428 0.033 . 1 . . . . A 141 LYS N . 30325 1 1521 . 1 1 142 142 HIS H H 1 8.142 0.002 . 1 . . . . A 142 HIS H . 30325 1 1522 . 1 1 142 142 HIS HA H 1 4 0.02 . 1 . . . . A 142 HIS HA . 30325 1 1523 . 1 1 142 142 HIS HB2 H 1 3.11 0.004 . 1 . . . . A 142 HIS HB2 . 30325 1 1524 . 1 1 142 142 HIS HB3 H 1 2.95 0.004 . 1 . . . . A 142 HIS HB3 . 30325 1 1525 . 1 1 142 142 HIS CA C 13 60.176 0.013 . 1 . . . . A 142 HIS CA . 30325 1 1526 . 1 1 142 142 HIS CB C 13 30.72 0.027 . 1 . . . . A 142 HIS CB . 30325 1 1527 . 1 1 142 142 HIS N N 15 118.647 0.019 . 1 . . . . A 142 HIS N . 30325 1 1528 . 1 1 143 143 VAL H H 1 8.287 0.002 . 1 . . . . A 143 VAL H . 30325 1 1529 . 1 1 143 143 VAL HA H 1 3.436 0.002 . 1 . . . . A 143 VAL HA . 30325 1 1530 . 1 1 143 143 VAL HB H 1 1.836 0.001 . 1 . . . . A 143 VAL HB . 30325 1 1531 . 1 1 143 143 VAL HG11 H 1 0.922 0.02 . 1 . . . . A 143 VAL HG11 . 30325 1 1532 . 1 1 143 143 VAL HG12 H 1 0.922 0.02 . 1 . . . . A 143 VAL HG12 . 30325 1 1533 . 1 1 143 143 VAL HG13 H 1 0.922 0.02 . 1 . . . . A 143 VAL HG13 . 30325 1 1534 . 1 1 143 143 VAL HG21 H 1 0.653 0.001 . 1 . . . . A 143 VAL HG21 . 30325 1 1535 . 1 1 143 143 VAL HG22 H 1 0.653 0.001 . 1 . . . . A 143 VAL HG22 . 30325 1 1536 . 1 1 143 143 VAL HG23 H 1 0.653 0.001 . 1 . . . . A 143 VAL HG23 . 30325 1 1537 . 1 1 143 143 VAL CA C 13 65.026 0.005 . 1 . . . . A 143 VAL CA . 30325 1 1538 . 1 1 143 143 VAL CB C 13 32.283 0.003 . 1 . . . . A 143 VAL CB . 30325 1 1539 . 1 1 143 143 VAL CG1 C 13 23.242 0.008 . 1 . . . . A 143 VAL CG1 . 30325 1 1540 . 1 1 143 143 VAL CG2 C 13 22.496 0.2 . 1 . . . . A 143 VAL CG2 . 30325 1 1541 . 1 1 143 143 VAL N N 15 116.177 0.01 . 1 . . . . A 143 VAL N . 30325 1 1542 . 1 1 144 144 GLU H H 1 8.184 0.002 . 1 . . . . A 144 GLU H . 30325 1 1543 . 1 1 144 144 GLU HA H 1 3.914 0.02 . 1 . . . . A 144 GLU HA . 30325 1 1544 . 1 1 144 144 GLU HB2 H 1 1.998 0.02 . 1 . . . . A 144 GLU HB2 . 30325 1 1545 . 1 1 144 144 GLU HB3 H 1 1.998 0.02 . 1 . . . . A 144 GLU HB3 . 30325 1 1546 . 1 1 144 144 GLU HG2 H 1 2.547 0.02 . 1 . . . . A 144 GLU HG2 . 30325 1 1547 . 1 1 144 144 GLU HG3 H 1 2.022 0.02 . 1 . . . . A 144 GLU HG3 . 30325 1 1548 . 1 1 144 144 GLU CA C 13 58.389 0.2 . 1 . . . . A 144 GLU CA . 30325 1 1549 . 1 1 144 144 GLU CB C 13 29.813 0.2 . 1 . . . . A 144 GLU CB . 30325 1 1550 . 1 1 144 144 GLU CG C 13 37.701 0.016 . 1 . . . . A 144 GLU CG . 30325 1 1551 . 1 1 144 144 GLU N N 15 117.023 0.008 . 1 . . . . A 144 GLU N . 30325 1 1552 . 1 1 145 145 GLY H H 1 7.328 0.003 . 1 . . . . A 145 GLY H . 30325 1 1553 . 1 1 145 145 GLY HA2 H 1 3.659 0.02 . 1 . . . . A 145 GLY HA2 . 30325 1 1554 . 1 1 145 145 GLY HA3 H 1 3.565 0.02 . 1 . . . . A 145 GLY HA3 . 30325 1 1555 . 1 1 145 145 GLY CA C 13 46.459 0.001 . 1 . . . . A 145 GLY CA . 30325 1 1556 . 1 1 145 145 GLY N N 15 112.238 0.014 . 1 . . . . A 145 GLY N . 30325 1 stop_ save_