data_36299 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36299 _Entry.Title ; Solution structure of SPA-2 SHD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-12 _Entry.Accession_date 2019-04-15 _Entry.Last_release_date 2020-04-15 _Entry.Original_release_date 2020-04-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36299 stop_ 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 J. Fan J. S. . . 36299 2 J. Wong J. Y. . . 36299 3 P. Zheng P. . . . 36299 4 D. Yang D. . . . 36299 5 G. Jedd G. . . . 36299 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GIT-PIX . 36299 SHD . 36299 'SIGNALING PROTEIN' . 36299 SPA-2 . 36299 polarity . 36299 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36299 spectral_peak_list 1 36299 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 36299 '15N chemical shifts' 134 36299 '1H chemical shifts' 779 36299 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 . . 2020-05-05 . original BMRB . 36299 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6LAG . 36299 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36299 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Spitzenkorper assembly mechanisms reveal conserved features of fungal and metazoan polarity scaffolds ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 J. Fan J. S. . . 36299 1 2 J. Wong J. Y. . . 36299 1 3 P. Zheng P. . . . 36299 1 4 D. Yang D. . . . 36299 1 5 G. Jedd G. . . . 36299 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36299 _Assembly.ID 1 _Assembly.Name 'Spa2-like 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 . . . . . . 36299 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36299 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MGENQELVLSDHYISLKRYL SATSRDGNPKPPPNKARDKL QRLTEVQFLELSTDVYDELK RREQVARRGPNAPPETAPPD FLLPQDNFHPKRNQARQKLS SLGPPRFRDLATDVFCELER RYPNFANLEMPLNAS ; _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 155 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17781.943 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SPA-2 common 36299 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 36299 1 2 . GLY . 36299 1 3 . SER . 36299 1 4 . SER . 36299 1 5 . HIS . 36299 1 6 . HIS . 36299 1 7 . HIS . 36299 1 8 . HIS . 36299 1 9 . HIS . 36299 1 10 . HIS . 36299 1 11 . SER . 36299 1 12 . SER . 36299 1 13 . GLY . 36299 1 14 . LEU . 36299 1 15 . VAL . 36299 1 16 . PRO . 36299 1 17 . ARG . 36299 1 18 . GLY . 36299 1 19 . SER . 36299 1 20 . HIS . 36299 1 21 . MET . 36299 1 22 . GLY . 36299 1 23 . GLU . 36299 1 24 . ASN . 36299 1 25 . GLN . 36299 1 26 . GLU . 36299 1 27 . LEU . 36299 1 28 . VAL . 36299 1 29 . LEU . 36299 1 30 . SER . 36299 1 31 . ASP . 36299 1 32 . HIS . 36299 1 33 . TYR . 36299 1 34 . ILE . 36299 1 35 . SER . 36299 1 36 . LEU . 36299 1 37 . LYS . 36299 1 38 . ARG . 36299 1 39 . TYR . 36299 1 40 . LEU . 36299 1 41 . SER . 36299 1 42 . ALA . 36299 1 43 . THR . 36299 1 44 . SER . 36299 1 45 . ARG . 36299 1 46 . ASP . 36299 1 47 . GLY . 36299 1 48 . ASN . 36299 1 49 . PRO . 36299 1 50 . LYS . 36299 1 51 . PRO . 36299 1 52 . PRO . 36299 1 53 . PRO . 36299 1 54 . ASN . 36299 1 55 . LYS . 36299 1 56 . ALA . 36299 1 57 . ARG . 36299 1 58 . ASP . 36299 1 59 . LYS . 36299 1 60 . LEU . 36299 1 61 . GLN . 36299 1 62 . ARG . 36299 1 63 . LEU . 36299 1 64 . THR . 36299 1 65 . GLU . 36299 1 66 . VAL . 36299 1 67 . GLN . 36299 1 68 . PHE . 36299 1 69 . LEU . 36299 1 70 . GLU . 36299 1 71 . LEU . 36299 1 72 . SER . 36299 1 73 . THR . 36299 1 74 . ASP . 36299 1 75 . VAL . 36299 1 76 . TYR . 36299 1 77 . ASP . 36299 1 78 . GLU . 36299 1 79 . LEU . 36299 1 80 . LYS . 36299 1 81 . ARG . 36299 1 82 . ARG . 36299 1 83 . GLU . 36299 1 84 . GLN . 36299 1 85 . VAL . 36299 1 86 . ALA . 36299 1 87 . ARG . 36299 1 88 . ARG . 36299 1 89 . GLY . 36299 1 90 . PRO . 36299 1 91 . ASN . 36299 1 92 . ALA . 36299 1 93 . PRO . 36299 1 94 . PRO . 36299 1 95 . GLU . 36299 1 96 . THR . 36299 1 97 . ALA . 36299 1 98 . PRO . 36299 1 99 . PRO . 36299 1 100 . ASP . 36299 1 101 . PHE . 36299 1 102 . LEU . 36299 1 103 . LEU . 36299 1 104 . PRO . 36299 1 105 . GLN . 36299 1 106 . ASP . 36299 1 107 . ASN . 36299 1 108 . PHE . 36299 1 109 . HIS . 36299 1 110 . PRO . 36299 1 111 . LYS . 36299 1 112 . ARG . 36299 1 113 . ASN . 36299 1 114 . GLN . 36299 1 115 . ALA . 36299 1 116 . ARG . 36299 1 117 . GLN . 36299 1 118 . LYS . 36299 1 119 . LEU . 36299 1 120 . SER . 36299 1 121 . SER . 36299 1 122 . LEU . 36299 1 123 . GLY . 36299 1 124 . PRO . 36299 1 125 . PRO . 36299 1 126 . ARG . 36299 1 127 . PHE . 36299 1 128 . ARG . 36299 1 129 . ASP . 36299 1 130 . LEU . 36299 1 131 . ALA . 36299 1 132 . THR . 36299 1 133 . ASP . 36299 1 134 . VAL . 36299 1 135 . PHE . 36299 1 136 . CYS . 36299 1 137 . GLU . 36299 1 138 . LEU . 36299 1 139 . GLU . 36299 1 140 . ARG . 36299 1 141 . ARG . 36299 1 142 . TYR . 36299 1 143 . PRO . 36299 1 144 . ASN . 36299 1 145 . PHE . 36299 1 146 . ALA . 36299 1 147 . ASN . 36299 1 148 . LEU . 36299 1 149 . GLU . 36299 1 150 . MET . 36299 1 151 . PRO . 36299 1 152 . LEU . 36299 1 153 . ASN . 36299 1 154 . ALA . 36299 1 155 . SER . 36299 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 36299 1 . GLY 2 2 36299 1 . SER 3 3 36299 1 . SER 4 4 36299 1 . HIS 5 5 36299 1 . HIS 6 6 36299 1 . HIS 7 7 36299 1 . HIS 8 8 36299 1 . HIS 9 9 36299 1 . HIS 10 10 36299 1 . SER 11 11 36299 1 . SER 12 12 36299 1 . GLY 13 13 36299 1 . LEU 14 14 36299 1 . VAL 15 15 36299 1 . PRO 16 16 36299 1 . ARG 17 17 36299 1 . GLY 18 18 36299 1 . SER 19 19 36299 1 . HIS 20 20 36299 1 . MET 21 21 36299 1 . GLY 22 22 36299 1 . GLU 23 23 36299 1 . ASN 24 24 36299 1 . GLN 25 25 36299 1 . GLU 26 26 36299 1 . LEU 27 27 36299 1 . VAL 28 28 36299 1 . LEU 29 29 36299 1 . SER 30 30 36299 1 . ASP 31 31 36299 1 . HIS 32 32 36299 1 . TYR 33 33 36299 1 . ILE 34 34 36299 1 . SER 35 35 36299 1 . LEU 36 36 36299 1 . LYS 37 37 36299 1 . ARG 38 38 36299 1 . TYR 39 39 36299 1 . LEU 40 40 36299 1 . SER 41 41 36299 1 . ALA 42 42 36299 1 . THR 43 43 36299 1 . SER 44 44 36299 1 . ARG 45 45 36299 1 . ASP 46 46 36299 1 . GLY 47 47 36299 1 . ASN 48 48 36299 1 . PRO 49 49 36299 1 . LYS 50 50 36299 1 . PRO 51 51 36299 1 . PRO 52 52 36299 1 . PRO 53 53 36299 1 . ASN 54 54 36299 1 . LYS 55 55 36299 1 . ALA 56 56 36299 1 . ARG 57 57 36299 1 . ASP 58 58 36299 1 . LYS 59 59 36299 1 . LEU 60 60 36299 1 . GLN 61 61 36299 1 . ARG 62 62 36299 1 . LEU 63 63 36299 1 . THR 64 64 36299 1 . GLU 65 65 36299 1 . VAL 66 66 36299 1 . GLN 67 67 36299 1 . PHE 68 68 36299 1 . LEU 69 69 36299 1 . GLU 70 70 36299 1 . LEU 71 71 36299 1 . SER 72 72 36299 1 . THR 73 73 36299 1 . ASP 74 74 36299 1 . VAL 75 75 36299 1 . TYR 76 76 36299 1 . ASP 77 77 36299 1 . GLU 78 78 36299 1 . LEU 79 79 36299 1 . LYS 80 80 36299 1 . ARG 81 81 36299 1 . ARG 82 82 36299 1 . GLU 83 83 36299 1 . GLN 84 84 36299 1 . VAL 85 85 36299 1 . ALA 86 86 36299 1 . ARG 87 87 36299 1 . ARG 88 88 36299 1 . GLY 89 89 36299 1 . PRO 90 90 36299 1 . ASN 91 91 36299 1 . ALA 92 92 36299 1 . PRO 93 93 36299 1 . PRO 94 94 36299 1 . GLU 95 95 36299 1 . THR 96 96 36299 1 . ALA 97 97 36299 1 . PRO 98 98 36299 1 . PRO 99 99 36299 1 . ASP 100 100 36299 1 . PHE 101 101 36299 1 . LEU 102 102 36299 1 . LEU 103 103 36299 1 . PRO 104 104 36299 1 . GLN 105 105 36299 1 . ASP 106 106 36299 1 . ASN 107 107 36299 1 . PHE 108 108 36299 1 . HIS 109 109 36299 1 . PRO 110 110 36299 1 . LYS 111 111 36299 1 . ARG 112 112 36299 1 . ASN 113 113 36299 1 . GLN 114 114 36299 1 . ALA 115 115 36299 1 . ARG 116 116 36299 1 . GLN 117 117 36299 1 . LYS 118 118 36299 1 . LEU 119 119 36299 1 . SER 120 120 36299 1 . SER 121 121 36299 1 . LEU 122 122 36299 1 . GLY 123 123 36299 1 . PRO 124 124 36299 1 . PRO 125 125 36299 1 . ARG 126 126 36299 1 . PHE 127 127 36299 1 . ARG 128 128 36299 1 . ASP 129 129 36299 1 . LEU 130 130 36299 1 . ALA 131 131 36299 1 . THR 132 132 36299 1 . ASP 133 133 36299 1 . VAL 134 134 36299 1 . PHE 135 135 36299 1 . CYS 136 136 36299 1 . GLU 137 137 36299 1 . LEU 138 138 36299 1 . GLU 139 139 36299 1 . ARG 140 140 36299 1 . ARG 141 141 36299 1 . TYR 142 142 36299 1 . PRO 143 143 36299 1 . ASN 144 144 36299 1 . PHE 145 145 36299 1 . ALA 146 146 36299 1 . ASN 147 147 36299 1 . LEU 148 148 36299 1 . GLU 149 149 36299 1 . MET 150 150 36299 1 . PRO 151 151 36299 1 . LEU 152 152 36299 1 . ASN 153 153 36299 1 . ALA 154 154 36299 1 . SER 155 155 36299 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 36299 _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 . 5141 organism . 'Neurospora crassa' 'Neurospora crassa' . . Eukaryota Fungi Neurospora crassa . . . . . . . . . . . 'spa2, NCU03115' . 36299 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 36299 _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 . . . . . . . . . . 36299 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36299 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM [U-13C; U-15N] SHD, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SHD '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 2 . . mM 0.1 . . . 36299 1 2 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36299 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36299 1 4 'disodium hydrogen phosphate' 'natural abundance' . . . . . buffer 10 . . mM 0.1 . . . 36299 1 5 'sodium dihydrogen phospahte' 'natural abundance' . . . . . buffer 10 . . mM 0.1 . . . 36299 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 36299 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 10 0.1 mM 36299 1 pH 6.5 0.05 pH 36299 1 pressure 1 0.01 atm 36299 1 temperature 298 0.1 K 36299 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36299 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36299 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 36299 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36299 _Software.ID 2 _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 . . 36299 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 36299 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36299 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36299 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 36299 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36299 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36299 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 36299 4 . 'structure calculation' 36299 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36299 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 36299 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 AVANCE . 800 . . . 36299 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 36299 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36299 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36299 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36299 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36299 1 5 '4D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36299 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 36299 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 external indirect 0.251449530 . . . . . 36299 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 36299 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.1013291188 . . . . . 36299 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 36299 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36299 1 2 '3D HNCA' 1 $sample_1 isotropic 36299 1 3 '3D HN(CO)CA' 1 $sample_1 isotropic 36299 1 4 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36299 1 5 '4D NOESY' 1 $sample_1 isotropic 36299 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 21 21 MET HA H 1 4.404 0.00 . 1 . . . . A 1 MET HA . 36299 1 2 . 1 . 1 21 21 MET CA C 13 55.818 0.00 . 1 . . . . A 1 MET CA . 36299 1 3 . 1 . 1 22 22 GLY H H 1 8.363 0.01 . 1 . . . . A 2 GLY H . 36299 1 4 . 1 . 1 22 22 GLY HA2 H 1 3.929 0.00 . 2 . . . . A 2 GLY HA2 . 36299 1 5 . 1 . 1 22 22 GLY CA C 13 45.402 0.03 . 1 . . . . A 2 GLY CA . 36299 1 6 . 1 . 1 22 22 GLY N N 15 109.765 0.03 . 1 . . . . A 2 GLY N . 36299 1 7 . 1 . 1 23 23 GLU H H 1 8.310 0.00 . 1 . . . . A 3 GLU H . 36299 1 8 . 1 . 1 23 23 GLU HA H 1 4.253 0.00 . 1 . . . . A 3 GLU HA . 36299 1 9 . 1 . 1 23 23 GLU HB2 H 1 1.999 0.00 . 2 . . . . A 3 GLU HB2 . 36299 1 10 . 1 . 1 23 23 GLU HB3 H 1 1.940 0.01 . 2 . . . . A 3 GLU HB3 . 36299 1 11 . 1 . 1 23 23 GLU HG2 H 1 2.220 0.00 . 2 . . . . A 3 GLU HG2 . 36299 1 12 . 1 . 1 23 23 GLU C C 13 181.433 0.00 . 1 . . . . A 3 GLU C . 36299 1 13 . 1 . 1 23 23 GLU CA C 13 56.927 0.01 . 1 . . . . A 3 GLU CA . 36299 1 14 . 1 . 1 23 23 GLU CB C 13 30.380 0.03 . 1 . . . . A 3 GLU CB . 36299 1 15 . 1 . 1 23 23 GLU CG C 13 36.362 0.02 . 1 . . . . A 3 GLU CG . 36299 1 16 . 1 . 1 23 23 GLU N N 15 120.589 0.02 . 1 . . . . A 3 GLU N . 36299 1 17 . 1 . 1 24 24 ASN H H 1 8.506 0.00 . 1 . . . . A 4 ASN H . 36299 1 18 . 1 . 1 24 24 ASN HA H 1 4.630 0.00 . 1 . . . . A 4 ASN HA . 36299 1 19 . 1 . 1 24 24 ASN HB2 H 1 2.825 0.01 . 2 . . . . A 4 ASN HB2 . 36299 1 20 . 1 . 1 24 24 ASN HD21 H 1 6.976 0.00 . 2 . . . . A 4 ASN HD21 . 36299 1 21 . 1 . 1 24 24 ASN HD22 H 1 7.623 0.00 . 2 . . . . A 4 ASN HD22 . 36299 1 22 . 1 . 1 24 24 ASN C C 13 174.061 0.00 . 1 . . . . A 4 ASN C . 36299 1 23 . 1 . 1 24 24 ASN CA C 13 53.842 0.01 . 1 . . . . A 4 ASN CA . 36299 1 24 . 1 . 1 24 24 ASN CB C 13 38.586 0.02 . 1 . . . . A 4 ASN CB . 36299 1 25 . 1 . 1 24 24 ASN N N 15 119.498 0.02 . 1 . . . . A 4 ASN N . 36299 1 26 . 1 . 1 24 24 ASN ND2 N 15 112.602 0.00 . 1 . . . . A 4 ASN ND2 . 36299 1 27 . 1 . 1 25 25 GLN H H 1 8.579 0.00 . 1 . . . . A 5 GLN H . 36299 1 28 . 1 . 1 25 25 GLN HA H 1 4.051 0.01 . 1 . . . . A 5 GLN HA . 36299 1 29 . 1 . 1 25 25 GLN HB3 H 1 2.071 0.00 . 2 . . . . A 5 GLN HB3 . 36299 1 30 . 1 . 1 25 25 GLN HG3 H 1 2.337 0.00 . 1 . . . . A 5 GLN HG3 . 36299 1 31 . 1 . 1 25 25 GLN HE21 H 1 6.736 0.00 . 2 . . . . A 5 GLN HE21 . 36299 1 32 . 1 . 1 25 25 GLN HE22 H 1 7.330 0.00 . 2 . . . . A 5 GLN HE22 . 36299 1 33 . 1 . 1 25 25 GLN C C 13 176.725 0.00 . 1 . . . . A 5 GLN C . 36299 1 34 . 1 . 1 25 25 GLN CA C 13 58.563 0.06 . 1 . . . . A 5 GLN CA . 36299 1 35 . 1 . 1 25 25 GLN CB C 13 28.369 0.07 . 1 . . . . A 5 GLN CB . 36299 1 36 . 1 . 1 25 25 GLN CG C 13 33.886 0.02 . 1 . . . . A 5 GLN CG . 36299 1 37 . 1 . 1 25 25 GLN N N 15 121.824 0.02 . 1 . . . . A 5 GLN N . 36299 1 38 . 1 . 1 25 25 GLN NE2 N 15 110.791 0.00 . 1 . . . . A 5 GLN NE2 . 36299 1 39 . 1 . 1 26 26 GLU H H 1 8.309 0.00 . 1 . . . . A 6 GLU H . 36299 1 40 . 1 . 1 26 26 GLU HA H 1 3.620 0.01 . 1 . . . . A 6 GLU HA . 36299 1 41 . 1 . 1 26 26 GLU HB3 H 1 1.989 0.00 . 2 . . . . A 6 GLU HB3 . 36299 1 42 . 1 . 1 26 26 GLU HG2 H 1 2.131 0.01 . 2 . . . . A 6 GLU HG2 . 36299 1 43 . 1 . 1 26 26 GLU C C 13 180.280 0.00 . 1 . . . . A 6 GLU C . 36299 1 44 . 1 . 1 26 26 GLU CA C 13 59.828 0.03 . 1 . . . . A 6 GLU CA . 36299 1 45 . 1 . 1 26 26 GLU CB C 13 29.539 0.02 . 1 . . . . A 6 GLU CB . 36299 1 46 . 1 . 1 26 26 GLU CG C 13 36.969 0.03 . 1 . . . . A 6 GLU CG . 36299 1 47 . 1 . 1 26 26 GLU N N 15 119.228 0.04 . 1 . . . . A 6 GLU N . 36299 1 48 . 1 . 1 27 27 LEU H H 1 7.583 0.00 . 1 . . . . A 7 LEU H . 36299 1 49 . 1 . 1 27 27 LEU HA H 1 3.915 0.01 . 1 . . . . A 7 LEU HA . 36299 1 50 . 1 . 1 27 27 LEU HB2 H 1 1.531 0.01 . 2 . . . . A 7 LEU HB2 . 36299 1 51 . 1 . 1 27 27 LEU HB3 H 1 1.645 0.02 . 2 . . . . A 7 LEU HB3 . 36299 1 52 . 1 . 1 27 27 LEU HG H 1 1.543 0.01 . 1 . . . . A 7 LEU HG . 36299 1 53 . 1 . 1 27 27 LEU HD11 H 1 0.766 0.01 . 2 . . . . A 7 LEU HD11 . 36299 1 54 . 1 . 1 27 27 LEU HD12 H 1 0.766 0.01 . 2 . . . . A 7 LEU HD12 . 36299 1 55 . 1 . 1 27 27 LEU HD13 H 1 0.766 0.01 . 2 . . . . A 7 LEU HD13 . 36299 1 56 . 1 . 1 27 27 LEU HD21 H 1 0.834 0.01 . 2 . . . . A 7 LEU HD21 . 36299 1 57 . 1 . 1 27 27 LEU HD22 H 1 0.834 0.01 . 2 . . . . A 7 LEU HD22 . 36299 1 58 . 1 . 1 27 27 LEU HD23 H 1 0.834 0.01 . 2 . . . . A 7 LEU HD23 . 36299 1 59 . 1 . 1 27 27 LEU CA C 13 57.679 0.03 . 1 . . . . A 7 LEU CA . 36299 1 60 . 1 . 1 27 27 LEU CB C 13 41.463 0.04 . 1 . . . . A 7 LEU CB . 36299 1 61 . 1 . 1 27 27 LEU CG C 13 27.018 0.03 . 1 . . . . A 7 LEU CG . 36299 1 62 . 1 . 1 27 27 LEU CD1 C 13 23.822 0.12 . 2 . . . . A 7 LEU CD1 . 36299 1 63 . 1 . 1 27 27 LEU CD2 C 13 24.826 0.08 . 2 . . . . A 7 LEU CD2 . 36299 1 64 . 1 . 1 27 27 LEU N N 15 119.068 0.01 . 1 . . . . A 7 LEU N . 36299 1 65 . 1 . 1 28 28 VAL H H 1 7.410 0.00 . 1 . . . . A 8 VAL H . 36299 1 66 . 1 . 1 28 28 VAL HA H 1 3.522 0.01 . 1 . . . . A 8 VAL HA . 36299 1 67 . 1 . 1 28 28 VAL HB H 1 1.861 0.00 . 1 . . . . A 8 VAL HB . 36299 1 68 . 1 . 1 28 28 VAL HG11 H 1 0.578 0.01 . 2 . . . . A 8 VAL HG11 . 36299 1 69 . 1 . 1 28 28 VAL HG12 H 1 0.578 0.01 . 2 . . . . A 8 VAL HG12 . 36299 1 70 . 1 . 1 28 28 VAL HG13 H 1 0.578 0.01 . 2 . . . . A 8 VAL HG13 . 36299 1 71 . 1 . 1 28 28 VAL HG21 H 1 0.862 0.00 . 2 . . . . A 8 VAL HG21 . 36299 1 72 . 1 . 1 28 28 VAL HG22 H 1 0.862 0.00 . 2 . . . . A 8 VAL HG22 . 36299 1 73 . 1 . 1 28 28 VAL HG23 H 1 0.862 0.00 . 2 . . . . A 8 VAL HG23 . 36299 1 74 . 1 . 1 28 28 VAL CA C 13 65.495 0.06 . 1 . . . . A 8 VAL CA . 36299 1 75 . 1 . 1 28 28 VAL CB C 13 31.710 0.04 . 1 . . . . A 8 VAL CB . 36299 1 76 . 1 . 1 28 28 VAL CG1 C 13 21.013 0.07 . 2 . . . . A 8 VAL CG1 . 36299 1 77 . 1 . 1 28 28 VAL CG2 C 13 21.940 0.09 . 2 . . . . A 8 VAL CG2 . 36299 1 78 . 1 . 1 28 28 VAL N N 15 120.313 0.04 . 1 . . . . A 8 VAL N . 36299 1 79 . 1 . 1 29 29 LEU H H 1 7.754 0.01 . 1 . . . . A 9 LEU H . 36299 1 80 . 1 . 1 29 29 LEU HA H 1 3.455 0.01 . 1 . . . . A 9 LEU HA . 36299 1 81 . 1 . 1 29 29 LEU HB2 H 1 1.375 0.00 . 2 . . . . A 9 LEU HB2 . 36299 1 82 . 1 . 1 29 29 LEU HB3 H 1 1.589 0.00 . 2 . . . . A 9 LEU HB3 . 36299 1 83 . 1 . 1 29 29 LEU HG H 1 1.555 0.00 . 1 . . . . A 9 LEU HG . 36299 1 84 . 1 . 1 29 29 LEU HD11 H 1 0.884 0.01 . 2 . . . . A 9 LEU HD11 . 36299 1 85 . 1 . 1 29 29 LEU HD12 H 1 0.884 0.01 . 2 . . . . A 9 LEU HD12 . 36299 1 86 . 1 . 1 29 29 LEU HD13 H 1 0.884 0.01 . 2 . . . . A 9 LEU HD13 . 36299 1 87 . 1 . 1 29 29 LEU HD21 H 1 0.799 0.01 . 2 . . . . A 9 LEU HD21 . 36299 1 88 . 1 . 1 29 29 LEU HD22 H 1 0.799 0.01 . 2 . . . . A 9 LEU HD22 . 36299 1 89 . 1 . 1 29 29 LEU HD23 H 1 0.799 0.01 . 2 . . . . A 9 LEU HD23 . 36299 1 90 . 1 . 1 29 29 LEU CA C 13 57.116 0.04 . 1 . . . . A 9 LEU CA . 36299 1 91 . 1 . 1 29 29 LEU CB C 13 41.137 0.04 . 1 . . . . A 9 LEU CB . 36299 1 92 . 1 . 1 29 29 LEU CG C 13 27.023 0.02 . 1 . . . . A 9 LEU CG . 36299 1 93 . 1 . 1 29 29 LEU CD1 C 13 23.425 0.14 . 2 . . . . A 9 LEU CD1 . 36299 1 94 . 1 . 1 29 29 LEU CD2 C 13 26.712 0.07 . 2 . . . . A 9 LEU CD2 . 36299 1 95 . 1 . 1 29 29 LEU N N 15 117.521 0.02 . 1 . . . . A 9 LEU N . 36299 1 96 . 1 . 1 30 30 SER H H 1 7.899 0.00 . 1 . . . . A 10 SER H . 36299 1 97 . 1 . 1 30 30 SER HA H 1 2.932 0.01 . 1 . . . . A 10 SER HA . 36299 1 98 . 1 . 1 30 30 SER HB2 H 1 3.520 0.01 . 2 . . . . A 10 SER HB2 . 36299 1 99 . 1 . 1 30 30 SER HB3 H 1 3.396 0.00 . 2 . . . . A 10 SER HB3 . 36299 1 100 . 1 . 1 30 30 SER CA C 13 61.588 0.07 . 1 . . . . A 10 SER CA . 36299 1 101 . 1 . 1 30 30 SER CB C 13 62.192 0.02 . 1 . . . . A 10 SER CB . 36299 1 102 . 1 . 1 30 30 SER N N 15 115.302 0.02 . 1 . . . . A 10 SER N . 36299 1 103 . 1 . 1 31 31 ASP H H 1 7.009 0.00 . 1 . . . . A 11 ASP H . 36299 1 104 . 1 . 1 31 31 ASP HA H 1 4.491 0.00 . 1 . . . . A 11 ASP HA . 36299 1 105 . 1 . 1 31 31 ASP HB2 H 1 2.720 0.00 . 2 . . . . A 11 ASP HB2 . 36299 1 106 . 1 . 1 31 31 ASP HB3 H 1 2.627 0.01 . 2 . . . . A 11 ASP HB3 . 36299 1 107 . 1 . 1 31 31 ASP C C 13 176.234 0.00 . 1 . . . . A 11 ASP C . 36299 1 108 . 1 . 1 31 31 ASP CA C 13 57.117 0.01 . 1 . . . . A 11 ASP CA . 36299 1 109 . 1 . 1 31 31 ASP CB C 13 40.442 0.02 . 1 . . . . A 11 ASP CB . 36299 1 110 . 1 . 1 31 31 ASP N N 15 122.764 0.01 . 1 . . . . A 11 ASP N . 36299 1 111 . 1 . 1 32 32 HIS H H 1 7.664 0.00 . 1 . . . . A 12 HIS H . 36299 1 112 . 1 . 1 32 32 HIS HA H 1 4.295 0.01 . 1 . . . . A 12 HIS HA . 36299 1 113 . 1 . 1 32 32 HIS HB2 H 1 3.050 0.01 . 2 . . . . A 12 HIS HB2 . 36299 1 114 . 1 . 1 32 32 HIS HB3 H 1 3.401 0.00 . 2 . . . . A 12 HIS HB3 . 36299 1 115 . 1 . 1 32 32 HIS HD2 H 1 5.031 0.00 . 1 . . . . A 12 HIS HD2 . 36299 1 116 . 1 . 1 32 32 HIS HE1 H 1 7.463 0.00 . 1 . . . . A 12 HIS HE1 . 36299 1 117 . 1 . 1 32 32 HIS CA C 13 58.083 0.02 . 1 . . . . A 12 HIS CA . 36299 1 118 . 1 . 1 32 32 HIS CB C 13 30.835 0.05 . 1 . . . . A 12 HIS CB . 36299 1 119 . 1 . 1 32 32 HIS CD2 C 13 114.898 0.02 . 1 . . . . A 12 HIS CD2 . 36299 1 120 . 1 . 1 32 32 HIS CE1 C 13 137.449 0.03 . 1 . . . . A 12 HIS CE1 . 36299 1 121 . 1 . 1 32 32 HIS N N 15 121.405 0.04 . 1 . . . . A 12 HIS N . 36299 1 122 . 1 . 1 33 33 TYR H H 1 8.605 0.00 . 1 . . . . A 13 TYR H . 36299 1 123 . 1 . 1 33 33 TYR HA H 1 3.978 0.00 . 1 . . . . A 13 TYR HA . 36299 1 124 . 1 . 1 33 33 TYR HB2 H 1 2.941 0.00 . 2 . . . . A 13 TYR HB2 . 36299 1 125 . 1 . 1 33 33 TYR HD1 H 1 6.874 0.01 . 3 . . . . A 13 TYR HD1 . 36299 1 126 . 1 . 1 33 33 TYR HE1 H 1 6.559 0.00 . 3 . . . . A 13 TYR HE1 . 36299 1 127 . 1 . 1 33 33 TYR CA C 13 63.246 0.05 . 1 . . . . A 13 TYR CA . 36299 1 128 . 1 . 1 33 33 TYR CB C 13 38.873 0.01 . 1 . . . . A 13 TYR CB . 36299 1 129 . 1 . 1 33 33 TYR CD1 C 13 132.212 0.06 . 1 . . . . A 13 TYR CD1 . 36299 1 130 . 1 . 1 33 33 TYR CE1 C 13 119.893 0.04 . 1 . . . . A 13 TYR CE1 . 36299 1 131 . 1 . 1 33 33 TYR N N 15 118.751 0.02 . 1 . . . . A 13 TYR N . 36299 1 132 . 1 . 1 34 34 ILE H H 1 8.335 0.00 . 1 . . . . A 14 ILE H . 36299 1 133 . 1 . 1 34 34 ILE HA H 1 3.668 0.01 . 1 . . . . A 14 ILE HA . 36299 1 134 . 1 . 1 34 34 ILE HB H 1 2.082 0.00 . 1 . . . . A 14 ILE HB . 36299 1 135 . 1 . 1 34 34 ILE HG12 H 1 1.718 0.00 . 2 . . . . A 14 ILE HG12 . 36299 1 136 . 1 . 1 34 34 ILE HG13 H 1 1.502 0.01 . 2 . . . . A 14 ILE HG13 . 36299 1 137 . 1 . 1 34 34 ILE HG21 H 1 0.997 0.00 . 1 . . . . A 14 ILE HG21 . 36299 1 138 . 1 . 1 34 34 ILE HG22 H 1 0.997 0.00 . 1 . . . . A 14 ILE HG22 . 36299 1 139 . 1 . 1 34 34 ILE HG23 H 1 0.997 0.00 . 1 . . . . A 14 ILE HG23 . 36299 1 140 . 1 . 1 34 34 ILE HD11 H 1 0.882 0.01 . 1 . . . . A 14 ILE HD11 . 36299 1 141 . 1 . 1 34 34 ILE HD12 H 1 0.882 0.01 . 1 . . . . A 14 ILE HD12 . 36299 1 142 . 1 . 1 34 34 ILE HD13 H 1 0.882 0.01 . 1 . . . . A 14 ILE HD13 . 36299 1 143 . 1 . 1 34 34 ILE CA C 13 63.873 0.01 . 1 . . . . A 14 ILE CA . 36299 1 144 . 1 . 1 34 34 ILE CB C 13 37.641 0.01 . 1 . . . . A 14 ILE CB . 36299 1 145 . 1 . 1 34 34 ILE CG1 C 13 28.673 0.02 . 1 . . . . A 14 ILE CG1 . 36299 1 146 . 1 . 1 34 34 ILE CG2 C 13 17.795 0.07 . 1 . . . . A 14 ILE CG2 . 36299 1 147 . 1 . 1 34 34 ILE CD1 C 13 12.057 0.09 . 1 . . . . A 14 ILE CD1 . 36299 1 148 . 1 . 1 34 34 ILE N N 15 118.867 0.03 . 1 . . . . A 14 ILE N . 36299 1 149 . 1 . 1 35 35 SER H H 1 8.131 0.00 . 1 . . . . A 15 SER H . 36299 1 150 . 1 . 1 35 35 SER HA H 1 4.265 0.01 . 1 . . . . A 15 SER HA . 36299 1 151 . 1 . 1 35 35 SER HB2 H 1 4.282 0.01 . 2 . . . . A 15 SER HB2 . 36299 1 152 . 1 . 1 35 35 SER HB3 H 1 3.917 0.01 . 2 . . . . A 15 SER HB3 . 36299 1 153 . 1 . 1 35 35 SER CA C 13 63.475 0.03 . 1 . . . . A 15 SER CA . 36299 1 154 . 1 . 1 35 35 SER CB C 13 63.027 0.05 . 1 . . . . A 15 SER CB . 36299 1 155 . 1 . 1 35 35 SER N N 15 116.057 0.02 . 1 . . . . A 15 SER N . 36299 1 156 . 1 . 1 36 36 LEU H H 1 8.740 0.00 . 1 . . . . A 16 LEU H . 36299 1 157 . 1 . 1 36 36 LEU HA H 1 4.013 0.00 . 1 . . . . A 16 LEU HA . 36299 1 158 . 1 . 1 36 36 LEU HB2 H 1 1.230 0.00 . 2 . . . . A 16 LEU HB2 . 36299 1 159 . 1 . 1 36 36 LEU HB3 H 1 2.204 0.00 . 2 . . . . A 16 LEU HB3 . 36299 1 160 . 1 . 1 36 36 LEU HG H 1 1.916 0.00 . 1 . . . . A 16 LEU HG . 36299 1 161 . 1 . 1 36 36 LEU HD11 H 1 0.907 0.02 . 2 . . . . A 16 LEU HD11 . 36299 1 162 . 1 . 1 36 36 LEU HD12 H 1 0.907 0.02 . 2 . . . . A 16 LEU HD12 . 36299 1 163 . 1 . 1 36 36 LEU HD13 H 1 0.907 0.02 . 2 . . . . A 16 LEU HD13 . 36299 1 164 . 1 . 1 36 36 LEU HD21 H 1 1.042 0.01 . 2 . . . . A 16 LEU HD21 . 36299 1 165 . 1 . 1 36 36 LEU HD22 H 1 1.042 0.01 . 2 . . . . A 16 LEU HD22 . 36299 1 166 . 1 . 1 36 36 LEU HD23 H 1 1.042 0.01 . 2 . . . . A 16 LEU HD23 . 36299 1 167 . 1 . 1 36 36 LEU CA C 13 58.490 0.07 . 1 . . . . A 16 LEU CA . 36299 1 168 . 1 . 1 36 36 LEU CB C 13 42.915 0.02 . 1 . . . . A 16 LEU CB . 36299 1 169 . 1 . 1 36 36 LEU CG C 13 27.648 0.00 . 1 . . . . A 16 LEU CG . 36299 1 170 . 1 . 1 36 36 LEU CD1 C 13 23.885 0.03 . 2 . . . . A 16 LEU CD1 . 36299 1 171 . 1 . 1 36 36 LEU CD2 C 13 26.058 0.07 . 2 . . . . A 16 LEU CD2 . 36299 1 172 . 1 . 1 36 36 LEU N N 15 123.601 0.01 . 1 . . . . A 16 LEU N . 36299 1 173 . 1 . 1 37 37 LYS H H 1 8.864 0.00 . 1 . . . . A 17 LYS H . 36299 1 174 . 1 . 1 37 37 LYS HA H 1 3.072 0.00 . 1 . . . . A 17 LYS HA . 36299 1 175 . 1 . 1 37 37 LYS HB2 H 1 1.907 0.00 . 2 . . . . A 17 LYS HB2 . 36299 1 176 . 1 . 1 37 37 LYS HB3 H 1 1.592 0.01 . 2 . . . . A 17 LYS HB3 . 36299 1 177 . 1 . 1 37 37 LYS HG3 H 1 1.310 0.00 . 2 . . . . A 17 LYS HG3 . 36299 1 178 . 1 . 1 37 37 LYS CA C 13 60.573 0.02 . 1 . . . . A 17 LYS CA . 36299 1 179 . 1 . 1 37 37 LYS CB C 13 32.968 0.04 . 1 . . . . A 17 LYS CB . 36299 1 180 . 1 . 1 37 37 LYS CG C 13 25.713 0.00 . 1 . . . . A 17 LYS CG . 36299 1 181 . 1 . 1 37 37 LYS N N 15 121.134 0.03 . 1 . . . . A 17 LYS N . 36299 1 182 . 1 . 1 38 38 ARG H H 1 8.174 0.00 . 1 . . . . A 18 ARG H . 36299 1 183 . 1 . 1 38 38 ARG HA H 1 3.932 0.01 . 1 . . . . A 18 ARG HA . 36299 1 184 . 1 . 1 38 38 ARG HB3 H 1 1.948 0.01 . 2 . . . . A 18 ARG HB3 . 36299 1 185 . 1 . 1 38 38 ARG HG2 H 1 1.645 0.01 . 2 . . . . A 18 ARG HG2 . 36299 1 186 . 1 . 1 38 38 ARG HG3 H 1 1.841 0.00 . 2 . . . . A 18 ARG HG3 . 36299 1 187 . 1 . 1 38 38 ARG HD2 H 1 3.206 0.00 . 2 . . . . A 18 ARG HD2 . 36299 1 188 . 1 . 1 38 38 ARG CA C 13 59.652 0.05 . 1 . . . . A 18 ARG CA . 36299 1 189 . 1 . 1 38 38 ARG CB C 13 30.338 0.00 . 1 . . . . A 18 ARG CB . 36299 1 190 . 1 . 1 38 38 ARG CG C 13 27.467 0.10 . 1 . . . . A 18 ARG CG . 36299 1 191 . 1 . 1 38 38 ARG CD C 13 43.617 0.03 . 1 . . . . A 18 ARG CD . 36299 1 192 . 1 . 1 38 38 ARG N N 15 118.996 0.03 . 1 . . . . A 18 ARG N . 36299 1 193 . 1 . 1 39 39 TYR H H 1 7.732 0.01 . 1 . . . . A 19 TYR H . 36299 1 194 . 1 . 1 39 39 TYR HA H 1 4.426 0.01 . 1 . . . . A 19 TYR HA . 36299 1 195 . 1 . 1 39 39 TYR HB2 H 1 2.910 0.00 . 2 . . . . A 19 TYR HB2 . 36299 1 196 . 1 . 1 39 39 TYR HB3 H 1 3.371 0.00 . 2 . . . . A 19 TYR HB3 . 36299 1 197 . 1 . 1 39 39 TYR HD1 H 1 6.928 0.01 . 3 . . . . A 19 TYR HD1 . 36299 1 198 . 1 . 1 39 39 TYR HE1 H 1 6.584 0.00 . 3 . . . . A 19 TYR HE1 . 36299 1 199 . 1 . 1 39 39 TYR CA C 13 60.184 0.03 . 1 . . . . A 19 TYR CA . 36299 1 200 . 1 . 1 39 39 TYR CB C 13 39.531 0.03 . 1 . . . . A 19 TYR CB . 36299 1 201 . 1 . 1 39 39 TYR CD1 C 13 133.425 0.08 . 1 . . . . A 19 TYR CD1 . 36299 1 202 . 1 . 1 39 39 TYR CE1 C 13 117.740 0.03 . 1 . . . . A 19 TYR CE1 . 36299 1 203 . 1 . 1 39 39 TYR N N 15 121.544 0.02 . 1 . . . . A 19 TYR N . 36299 1 204 . 1 . 1 40 40 LEU H H 1 8.954 0.00 . 1 . . . . A 20 LEU H . 36299 1 205 . 1 . 1 40 40 LEU HA H 1 3.382 0.00 . 1 . . . . A 20 LEU HA . 36299 1 206 . 1 . 1 40 40 LEU HB2 H 1 1.089 0.01 . 2 . . . . A 20 LEU HB2 . 36299 1 207 . 1 . 1 40 40 LEU HB3 H 1 1.358 0.01 . 2 . . . . A 20 LEU HB3 . 36299 1 208 . 1 . 1 40 40 LEU HG H 1 1.680 0.01 . 1 . . . . A 20 LEU HG . 36299 1 209 . 1 . 1 40 40 LEU HD11 H 1 0.601 0.01 . 2 . . . . A 20 LEU HD11 . 36299 1 210 . 1 . 1 40 40 LEU HD12 H 1 0.601 0.01 . 2 . . . . A 20 LEU HD12 . 36299 1 211 . 1 . 1 40 40 LEU HD13 H 1 0.601 0.01 . 2 . . . . A 20 LEU HD13 . 36299 1 212 . 1 . 1 40 40 LEU HD21 H 1 0.317 0.01 . 2 . . . . A 20 LEU HD21 . 36299 1 213 . 1 . 1 40 40 LEU HD22 H 1 0.317 0.01 . 2 . . . . A 20 LEU HD22 . 36299 1 214 . 1 . 1 40 40 LEU HD23 H 1 0.317 0.01 . 2 . . . . A 20 LEU HD23 . 36299 1 215 . 1 . 1 40 40 LEU CA C 13 56.927 0.02 . 1 . . . . A 20 LEU CA . 36299 1 216 . 1 . 1 40 40 LEU CB C 13 40.979 0.05 . 1 . . . . A 20 LEU CB . 36299 1 217 . 1 . 1 40 40 LEU CG C 13 27.079 0.02 . 1 . . . . A 20 LEU CG . 36299 1 218 . 1 . 1 40 40 LEU CD1 C 13 22.803 0.11 . 1 . . . . A 20 LEU CD1 . 36299 1 219 . 1 . 1 40 40 LEU CD2 C 13 25.569 0.06 . 1 . . . . A 20 LEU CD2 . 36299 1 220 . 1 . 1 40 40 LEU N N 15 120.319 0.02 . 1 . . . . A 20 LEU N . 36299 1 221 . 1 . 1 41 41 SER H H 1 7.887 0.00 . 1 . . . . A 21 SER H . 36299 1 222 . 1 . 1 41 41 SER HA H 1 3.871 0.00 . 1 . . . . A 21 SER HA . 36299 1 223 . 1 . 1 41 41 SER HB2 H 1 3.861 0.01 . 2 . . . . A 21 SER HB2 . 36299 1 224 . 1 . 1 41 41 SER CA C 13 61.438 0.08 . 1 . . . . A 21 SER CA . 36299 1 225 . 1 . 1 41 41 SER CB C 13 63.023 0.03 . 1 . . . . A 21 SER CB . 36299 1 226 . 1 . 1 41 41 SER N N 15 113.779 0.02 . 1 . . . . A 21 SER N . 36299 1 227 . 1 . 1 42 42 ALA H H 1 7.754 0.01 . 1 . . . . A 22 ALA H . 36299 1 228 . 1 . 1 42 42 ALA HA H 1 4.194 0.00 . 1 . . . . A 22 ALA HA . 36299 1 229 . 1 . 1 42 42 ALA HB1 H 1 1.462 0.00 . 1 . . . . A 22 ALA HB1 . 36299 1 230 . 1 . 1 42 42 ALA HB2 H 1 1.462 0.00 . 1 . . . . A 22 ALA HB2 . 36299 1 231 . 1 . 1 42 42 ALA HB3 H 1 1.462 0.00 . 1 . . . . A 22 ALA HB3 . 36299 1 232 . 1 . 1 42 42 ALA CA C 13 54.145 0.01 . 1 . . . . A 22 ALA CA . 36299 1 233 . 1 . 1 42 42 ALA CB C 13 18.867 0.05 . 1 . . . . A 22 ALA CB . 36299 1 234 . 1 . 1 42 42 ALA N N 15 122.833 0.04 . 1 . . . . A 22 ALA N . 36299 1 235 . 1 . 1 43 43 THR H H 1 7.261 0.00 . 1 . . . . A 23 THR H . 36299 1 236 . 1 . 1 43 43 THR HA H 1 4.313 0.00 . 1 . . . . A 23 THR HA . 36299 1 237 . 1 . 1 43 43 THR HB H 1 4.272 0.00 . 1 . . . . A 23 THR HB . 36299 1 238 . 1 . 1 43 43 THR HG21 H 1 1.042 0.00 . 1 . . . . A 23 THR HG21 . 36299 1 239 . 1 . 1 43 43 THR HG22 H 1 1.042 0.00 . 1 . . . . A 23 THR HG22 . 36299 1 240 . 1 . 1 43 43 THR HG23 H 1 1.042 0.00 . 1 . . . . A 23 THR HG23 . 36299 1 241 . 1 . 1 43 43 THR CA C 13 61.007 0.03 . 1 . . . . A 23 THR CA . 36299 1 242 . 1 . 1 43 43 THR CB C 13 70.032 0.00 . 1 . . . . A 23 THR CB . 36299 1 243 . 1 . 1 43 43 THR CG2 C 13 21.545 0.08 . 1 . . . . A 23 THR CG2 . 36299 1 244 . 1 . 1 43 43 THR N N 15 105.671 0.03 . 1 . . . . A 23 THR N . 36299 1 245 . 1 . 1 44 44 SER H H 1 7.338 0.00 . 1 . . . . A 24 SER H . 36299 1 246 . 1 . 1 44 44 SER HA H 1 4.399 0.00 . 1 . . . . A 24 SER HA . 36299 1 247 . 1 . 1 44 44 SER HB2 H 1 3.822 0.01 . 2 . . . . A 24 SER HB2 . 36299 1 248 . 1 . 1 44 44 SER CA C 13 57.992 0.00 . 1 . . . . A 24 SER CA . 36299 1 249 . 1 . 1 44 44 SER CB C 13 64.245 0.01 . 1 . . . . A 24 SER CB . 36299 1 250 . 1 . 1 44 44 SER N N 15 117.303 0.01 . 1 . . . . A 24 SER N . 36299 1 251 . 1 . 1 45 45 ARG HA H 1 4.238 0.00 . 1 . . . . A 25 ARG HA . 36299 1 252 . 1 . 1 45 45 ARG HB3 H 1 1.821 0.00 . 2 . . . . A 25 ARG HB3 . 36299 1 253 . 1 . 1 45 45 ARG HG3 H 1 1.655 0.00 . 2 . . . . A 25 ARG HG3 . 36299 1 254 . 1 . 1 45 45 ARG CA C 13 57.354 0.00 . 1 . . . . A 25 ARG CA . 36299 1 255 . 1 . 1 45 45 ARG CB C 13 30.225 0.00 . 1 . . . . A 25 ARG CB . 36299 1 256 . 1 . 1 45 45 ARG CG C 13 27.136 0.00 . 1 . . . . A 25 ARG CG . 36299 1 257 . 1 . 1 46 46 ASP H H 1 8.012 0.00 . 1 . . . . A 26 ASP H . 36299 1 258 . 1 . 1 46 46 ASP HA H 1 4.609 0.01 . 1 . . . . A 26 ASP HA . 36299 1 259 . 1 . 1 46 46 ASP HB2 H 1 2.590 0.00 . 2 . . . . A 26 ASP HB2 . 36299 1 260 . 1 . 1 46 46 ASP HB3 H 1 2.775 0.00 . 2 . . . . A 26 ASP HB3 . 36299 1 261 . 1 . 1 46 46 ASP C C 13 177.467 0.00 . 1 . . . . A 26 ASP C . 36299 1 262 . 1 . 1 46 46 ASP CA C 13 53.656 0.02 . 1 . . . . A 26 ASP CA . 36299 1 263 . 1 . 1 46 46 ASP CB C 13 41.249 0.03 . 1 . . . . A 26 ASP CB . 36299 1 264 . 1 . 1 46 46 ASP N N 15 117.765 0.02 . 1 . . . . A 26 ASP N . 36299 1 265 . 1 . 1 47 47 GLY H H 1 7.938 0.00 . 1 . . . . A 27 GLY H . 36299 1 266 . 1 . 1 47 47 GLY HA2 H 1 3.825 0.01 . 2 . . . . A 27 GLY HA2 . 36299 1 267 . 1 . 1 47 47 GLY HA3 H 1 4.018 0.00 . 2 . . . . A 27 GLY HA3 . 36299 1 268 . 1 . 1 47 47 GLY CA C 13 45.442 0.04 . 1 . . . . A 27 GLY CA . 36299 1 269 . 1 . 1 47 47 GLY N N 15 108.732 0.03 . 1 . . . . A 27 GLY N . 36299 1 270 . 1 . 1 48 48 ASN H H 1 8.066 0.01 . 1 . . . . A 28 ASN H . 36299 1 271 . 1 . 1 48 48 ASN HA H 1 4.940 0.01 . 1 . . . . A 28 ASN HA . 36299 1 272 . 1 . 1 48 48 ASN HB2 H 1 2.656 0.00 . 2 . . . . A 28 ASN HB2 . 36299 1 273 . 1 . 1 48 48 ASN HB3 H 1 2.955 0.00 . 2 . . . . A 28 ASN HB3 . 36299 1 274 . 1 . 1 48 48 ASN HD21 H 1 6.857 0.00 . 2 . . . . A 28 ASN HD21 . 36299 1 275 . 1 . 1 48 48 ASN HD22 H 1 7.660 0.00 . 2 . . . . A 28 ASN HD22 . 36299 1 276 . 1 . 1 48 48 ASN C C 13 174.567 0.00 . 1 . . . . A 28 ASN C . 36299 1 277 . 1 . 1 48 48 ASN CA C 13 50.789 0.06 . 1 . . . . A 28 ASN CA . 36299 1 278 . 1 . 1 48 48 ASN CB C 13 39.134 0.01 . 1 . . . . A 28 ASN CB . 36299 1 279 . 1 . 1 48 48 ASN N N 15 119.688 0.06 . 1 . . . . A 28 ASN N . 36299 1 280 . 1 . 1 48 48 ASN ND2 N 15 112.716 0.02 . 1 . . . . A 28 ASN ND2 . 36299 1 281 . 1 . 1 49 49 PRO HA H 1 4.166 0.00 . 1 . . . . A 29 PRO HA . 36299 1 282 . 1 . 1 49 49 PRO HB3 H 1 2.012 0.00 . 2 . . . . A 29 PRO HB3 . 36299 1 283 . 1 . 1 49 49 PRO HG2 H 1 1.937 0.00 . 2 . . . . A 29 PRO HG2 . 36299 1 284 . 1 . 1 49 49 PRO HD3 H 1 3.851 0.00 . 2 . . . . A 29 PRO HD3 . 36299 1 285 . 1 . 1 49 49 PRO CA C 13 63.372 0.00 . 1 . . . . A 29 PRO CA . 36299 1 286 . 1 . 1 49 49 PRO CB C 13 32.486 0.00 . 1 . . . . A 29 PRO CB . 36299 1 287 . 1 . 1 49 49 PRO CG C 13 26.974 0.00 . 1 . . . . A 29 PRO CG . 36299 1 288 . 1 . 1 49 49 PRO CD C 13 50.553 0.00 . 1 . . . . A 29 PRO CD . 36299 1 289 . 1 . 1 50 50 LYS H H 1 7.975 0.00 . 1 . . . . A 30 LYS H . 36299 1 290 . 1 . 1 50 50 LYS HA H 1 4.505 0.00 . 1 . . . . A 30 LYS HA . 36299 1 291 . 1 . 1 50 50 LYS HB2 H 1 1.767 0.00 . 2 . . . . A 30 LYS HB2 . 36299 1 292 . 1 . 1 50 50 LYS HG2 H 1 1.530 0.00 . 2 . . . . A 30 LYS HG2 . 36299 1 293 . 1 . 1 50 50 LYS HD3 H 1 1.732 0.00 . 2 . . . . A 30 LYS HD3 . 36299 1 294 . 1 . 1 50 50 LYS CA C 13 54.118 0.00 . 1 . . . . A 30 LYS CA . 36299 1 295 . 1 . 1 50 50 LYS CB C 13 32.546 0.00 . 1 . . . . A 30 LYS CB . 36299 1 296 . 1 . 1 50 50 LYS CG C 13 25.103 0.00 . 1 . . . . A 30 LYS CG . 36299 1 297 . 1 . 1 50 50 LYS CD C 13 29.291 0.00 . 1 . . . . A 30 LYS CD . 36299 1 298 . 1 . 1 50 50 LYS N N 15 120.999 0.01 . 1 . . . . A 30 LYS N . 36299 1 299 . 1 . 1 54 54 ASN C C 13 174.489 0.00 . 1 . . . . A 34 ASN C . 36299 1 300 . 1 . 1 54 54 ASN CB C 13 38.773 0.00 . 1 . . . . A 34 ASN CB . 36299 1 301 . 1 . 1 55 55 LYS HA H 1 4.255 0.00 . 1 . . . . A 35 LYS HA . 36299 1 302 . 1 . 1 55 55 LYS HB3 H 1 1.787 0.00 . 2 . . . . A 35 LYS HB3 . 36299 1 303 . 1 . 1 55 55 LYS HG3 H 1 1.405 0.00 . 2 . . . . A 35 LYS HG3 . 36299 1 304 . 1 . 1 55 55 LYS CA C 13 56.578 0.00 . 1 . . . . A 35 LYS CA . 36299 1 305 . 1 . 1 55 55 LYS CB C 13 32.929 0.00 . 1 . . . . A 35 LYS CB . 36299 1 306 . 1 . 1 55 55 LYS CG C 13 24.698 0.00 . 1 . . . . A 35 LYS CG . 36299 1 307 . 1 . 1 56 56 ALA H H 1 8.272 0.00 . 1 . . . . A 36 ALA H . 36299 1 308 . 1 . 1 56 56 ALA HA H 1 4.214 0.00 . 1 . . . . A 36 ALA HA . 36299 1 309 . 1 . 1 56 56 ALA HB1 H 1 1.372 0.00 . 1 . . . . A 36 ALA HB1 . 36299 1 310 . 1 . 1 56 56 ALA HB2 H 1 1.372 0.00 . 1 . . . . A 36 ALA HB2 . 36299 1 311 . 1 . 1 56 56 ALA HB3 H 1 1.372 0.00 . 1 . . . . A 36 ALA HB3 . 36299 1 312 . 1 . 1 56 56 ALA CA C 13 53.170 0.04 . 1 . . . . A 36 ALA CA . 36299 1 313 . 1 . 1 56 56 ALA CB C 13 18.873 0.07 . 1 . . . . A 36 ALA CB . 36299 1 314 . 1 . 1 56 56 ALA N N 15 124.866 0.02 . 1 . . . . A 36 ALA N . 36299 1 315 . 1 . 1 57 57 ARG H H 1 8.305 0.00 . 1 . . . . A 37 ARG H . 36299 1 316 . 1 . 1 57 57 ARG HA H 1 4.319 0.01 . 1 . . . . A 37 ARG HA . 36299 1 317 . 1 . 1 57 57 ARG HB2 H 1 1.796 0.00 . 2 . . . . A 37 ARG HB2 . 36299 1 318 . 1 . 1 57 57 ARG HB3 H 1 1.873 0.00 . 2 . . . . A 37 ARG HB3 . 36299 1 319 . 1 . 1 57 57 ARG HG2 H 1 1.644 0.00 . 2 . . . . A 37 ARG HG2 . 36299 1 320 . 1 . 1 57 57 ARG CA C 13 56.537 0.02 . 1 . . . . A 37 ARG CA . 36299 1 321 . 1 . 1 57 57 ARG CB C 13 30.325 0.04 . 1 . . . . A 37 ARG CB . 36299 1 322 . 1 . 1 57 57 ARG CG C 13 27.443 0.04 . 1 . . . . A 37 ARG CG . 36299 1 323 . 1 . 1 57 57 ARG N N 15 120.983 0.02 . 1 . . . . A 37 ARG N . 36299 1 324 . 1 . 1 58 58 ASP H H 1 8.174 0.00 . 1 . . . . A 38 ASP H . 36299 1 325 . 1 . 1 58 58 ASP HA H 1 4.504 0.01 . 1 . . . . A 38 ASP HA . 36299 1 326 . 1 . 1 58 58 ASP HB2 H 1 2.697 0.00 . 2 . . . . A 38 ASP HB2 . 36299 1 327 . 1 . 1 58 58 ASP HB3 H 1 2.513 0.00 . 2 . . . . A 38 ASP HB3 . 36299 1 328 . 1 . 1 58 58 ASP C C 13 176.953 0.00 . 1 . . . . A 38 ASP C . 36299 1 329 . 1 . 1 58 58 ASP CA C 13 55.064 0.07 . 1 . . . . A 38 ASP CA . 36299 1 330 . 1 . 1 58 58 ASP CB C 13 40.870 0.01 . 1 . . . . A 38 ASP CB . 36299 1 331 . 1 . 1 58 58 ASP N N 15 120.526 0.03 . 1 . . . . A 38 ASP N . 36299 1 332 . 1 . 1 59 59 LYS H H 1 7.961 0.00 . 1 . . . . A 39 LYS H . 36299 1 333 . 1 . 1 59 59 LYS HA H 1 4.007 0.02 . 1 . . . . A 39 LYS HA . 36299 1 334 . 1 . 1 59 59 LYS HB2 H 1 1.805 0.00 . 2 . . . . A 39 LYS HB2 . 36299 1 335 . 1 . 1 59 59 LYS HG3 H 1 1.427 0.01 . 2 . . . . A 39 LYS HG3 . 36299 1 336 . 1 . 1 59 59 LYS HD2 H 1 1.629 0.00 . 2 . . . . A 39 LYS HD2 . 36299 1 337 . 1 . 1 59 59 LYS CA C 13 58.869 0.04 . 1 . . . . A 39 LYS CA . 36299 1 338 . 1 . 1 59 59 LYS CB C 13 32.611 0.04 . 1 . . . . A 39 LYS CB . 36299 1 339 . 1 . 1 59 59 LYS CG C 13 25.017 0.02 . 1 . . . . A 39 LYS CG . 36299 1 340 . 1 . 1 59 59 LYS CD C 13 29.008 0.04 . 1 . . . . A 39 LYS CD . 36299 1 341 . 1 . 1 59 59 LYS N N 15 119.217 0.05 . 1 . . . . A 39 LYS N . 36299 1 342 . 1 . 1 60 60 LEU H H 1 8.278 0.00 . 1 . . . . A 40 LEU H . 36299 1 343 . 1 . 1 60 60 LEU HA H 1 4.224 0.01 . 1 . . . . A 40 LEU HA . 36299 1 344 . 1 . 1 60 60 LEU HB2 H 1 1.482 0.00 . 2 . . . . A 40 LEU HB2 . 36299 1 345 . 1 . 1 60 60 LEU HB3 H 1 1.673 0.00 . 2 . . . . A 40 LEU HB3 . 36299 1 346 . 1 . 1 60 60 LEU HG H 1 1.739 0.00 . 1 . . . . A 40 LEU HG . 36299 1 347 . 1 . 1 60 60 LEU HD11 H 1 0.823 0.01 . 2 . . . . A 40 LEU HD11 . 36299 1 348 . 1 . 1 60 60 LEU HD12 H 1 0.823 0.01 . 2 . . . . A 40 LEU HD12 . 36299 1 349 . 1 . 1 60 60 LEU HD13 H 1 0.823 0.01 . 2 . . . . A 40 LEU HD13 . 36299 1 350 . 1 . 1 60 60 LEU HD21 H 1 0.922 0.00 . 2 . . . . A 40 LEU HD21 . 36299 1 351 . 1 . 1 60 60 LEU HD22 H 1 0.922 0.00 . 2 . . . . A 40 LEU HD22 . 36299 1 352 . 1 . 1 60 60 LEU HD23 H 1 0.922 0.00 . 2 . . . . A 40 LEU HD23 . 36299 1 353 . 1 . 1 60 60 LEU CA C 13 56.023 0.06 . 1 . . . . A 40 LEU CA . 36299 1 354 . 1 . 1 60 60 LEU CB C 13 41.554 0.07 . 1 . . . . A 40 LEU CB . 36299 1 355 . 1 . 1 60 60 LEU CG C 13 27.194 0.00 . 1 . . . . A 40 LEU CG . 36299 1 356 . 1 . 1 60 60 LEU CD1 C 13 22.854 0.03 . 2 . . . . A 40 LEU CD1 . 36299 1 357 . 1 . 1 60 60 LEU CD2 C 13 26.590 0.07 . 2 . . . . A 40 LEU CD2 . 36299 1 358 . 1 . 1 60 60 LEU N N 15 117.932 0.05 . 1 . . . . A 40 LEU N . 36299 1 359 . 1 . 1 61 61 GLN H H 1 7.554 0.00 . 1 . . . . A 41 GLN H . 36299 1 360 . 1 . 1 61 61 GLN HA H 1 4.074 0.01 . 1 . . . . A 41 GLN HA . 36299 1 361 . 1 . 1 61 61 GLN HB3 H 1 1.944 0.00 . 1 . . . . A 41 GLN HB3 . 36299 1 362 . 1 . 1 61 61 GLN HG2 H 1 2.411 0.00 . 1 . . . . A 41 GLN HG2 . 36299 1 363 . 1 . 1 61 61 GLN HE21 H 1 6.758 0.00 . 2 . . . . A 41 GLN HE21 . 36299 1 364 . 1 . 1 61 61 GLN HE22 H 1 7.315 0.00 . 2 . . . . A 41 GLN HE22 . 36299 1 365 . 1 . 1 61 61 GLN C C 13 177.066 0.00 . 1 . . . . A 41 GLN C . 36299 1 366 . 1 . 1 61 61 GLN CA C 13 58.371 0.03 . 1 . . . . A 41 GLN CA . 36299 1 367 . 1 . 1 61 61 GLN CB C 13 27.994 0.05 . 1 . . . . A 41 GLN CB . 36299 1 368 . 1 . 1 61 61 GLN CG C 13 33.561 0.04 . 1 . . . . A 41 GLN CG . 36299 1 369 . 1 . 1 61 61 GLN N N 15 117.019 0.02 . 1 . . . . A 41 GLN N . 36299 1 370 . 1 . 1 61 61 GLN NE2 N 15 110.023 0.00 . 1 . . . . A 41 GLN NE2 . 36299 1 371 . 1 . 1 62 62 ARG H H 1 7.427 0.00 . 1 . . . . A 42 ARG H . 36299 1 372 . 1 . 1 62 62 ARG HA H 1 4.189 0.01 . 1 . . . . A 42 ARG HA . 36299 1 373 . 1 . 1 62 62 ARG HB2 H 1 1.930 0.01 . 2 . . . . A 42 ARG HB2 . 36299 1 374 . 1 . 1 62 62 ARG HB3 H 1 1.723 0.01 . 2 . . . . A 42 ARG HB3 . 36299 1 375 . 1 . 1 62 62 ARG HG2 H 1 1.608 0.01 . 2 . . . . A 42 ARG HG2 . 36299 1 376 . 1 . 1 62 62 ARG HD2 H 1 3.124 0.00 . 2 . . . . A 42 ARG HD2 . 36299 1 377 . 1 . 1 62 62 ARG CA C 13 56.048 0.11 . 1 . . . . A 42 ARG CA . 36299 1 378 . 1 . 1 62 62 ARG CB C 13 30.205 0.05 . 1 . . . . A 42 ARG CB . 36299 1 379 . 1 . 1 62 62 ARG CG C 13 27.376 0.02 . 1 . . . . A 42 ARG CG . 36299 1 380 . 1 . 1 62 62 ARG CD C 13 43.310 0.00 . 1 . . . . A 42 ARG CD . 36299 1 381 . 1 . 1 62 62 ARG N N 15 113.499 0.02 . 1 . . . . A 42 ARG N . 36299 1 382 . 1 . 1 63 63 LEU H H 1 7.105 0.00 . 1 . . . . A 43 LEU H . 36299 1 383 . 1 . 1 63 63 LEU HA H 1 4.415 0.01 . 1 . . . . A 43 LEU HA . 36299 1 384 . 1 . 1 63 63 LEU HB2 H 1 1.893 0.01 . 2 . . . . A 43 LEU HB2 . 36299 1 385 . 1 . 1 63 63 LEU HB3 H 1 1.650 0.01 . 2 . . . . A 43 LEU HB3 . 36299 1 386 . 1 . 1 63 63 LEU HG H 1 1.899 0.00 . 1 . . . . A 43 LEU HG . 36299 1 387 . 1 . 1 63 63 LEU HD11 H 1 0.830 0.00 . 2 . . . . A 43 LEU HD11 . 36299 1 388 . 1 . 1 63 63 LEU HD12 H 1 0.830 0.00 . 2 . . . . A 43 LEU HD12 . 36299 1 389 . 1 . 1 63 63 LEU HD13 H 1 0.830 0.00 . 2 . . . . A 43 LEU HD13 . 36299 1 390 . 1 . 1 63 63 LEU HD21 H 1 1.033 0.01 . 2 . . . . A 43 LEU HD21 . 36299 1 391 . 1 . 1 63 63 LEU HD22 H 1 1.033 0.01 . 2 . . . . A 43 LEU HD22 . 36299 1 392 . 1 . 1 63 63 LEU HD23 H 1 1.033 0.01 . 2 . . . . A 43 LEU HD23 . 36299 1 393 . 1 . 1 63 63 LEU CA C 13 55.513 0.04 . 1 . . . . A 43 LEU CA . 36299 1 394 . 1 . 1 63 63 LEU CB C 13 41.781 0.06 . 1 . . . . A 43 LEU CB . 36299 1 395 . 1 . 1 63 63 LEU CG C 13 27.610 0.00 . 1 . . . . A 43 LEU CG . 36299 1 396 . 1 . 1 63 63 LEU CD1 C 13 22.615 0.11 . 2 . . . . A 43 LEU CD1 . 36299 1 397 . 1 . 1 63 63 LEU CD2 C 13 26.964 0.05 . 2 . . . . A 43 LEU CD2 . 36299 1 398 . 1 . 1 63 63 LEU N N 15 119.718 0.02 . 1 . . . . A 43 LEU N . 36299 1 399 . 1 . 1 64 64 THR H H 1 8.839 0.01 . 1 . . . . A 44 THR H . 36299 1 400 . 1 . 1 64 64 THR HA H 1 4.373 0.00 . 1 . . . . A 44 THR HA . 36299 1 401 . 1 . 1 64 64 THR HB H 1 4.803 0.00 . 1 . . . . A 44 THR HB . 36299 1 402 . 1 . 1 64 64 THR HG21 H 1 1.360 0.01 . 1 . . . . A 44 THR HG21 . 36299 1 403 . 1 . 1 64 64 THR HG22 H 1 1.360 0.01 . 1 . . . . A 44 THR HG22 . 36299 1 404 . 1 . 1 64 64 THR HG23 H 1 1.360 0.01 . 1 . . . . A 44 THR HG23 . 36299 1 405 . 1 . 1 64 64 THR CA C 13 61.316 0.02 . 1 . . . . A 44 THR CA . 36299 1 406 . 1 . 1 64 64 THR CB C 13 70.708 0.01 . 1 . . . . A 44 THR CB . 36299 1 407 . 1 . 1 64 64 THR CG2 C 13 21.600 0.07 . 1 . . . . A 44 THR CG2 . 36299 1 408 . 1 . 1 64 64 THR N N 15 114.654 0.03 . 1 . . . . A 44 THR N . 36299 1 409 . 1 . 1 65 65 GLU H H 1 9.030 0.00 . 1 . . . . A 45 GLU H . 36299 1 410 . 1 . 1 65 65 GLU HA H 1 4.092 0.00 . 1 . . . . A 45 GLU HA . 36299 1 411 . 1 . 1 65 65 GLU HB3 H 1 2.189 0.00 . 2 . . . . A 45 GLU HB3 . 36299 1 412 . 1 . 1 65 65 GLU HG3 H 1 2.413 0.00 . 2 . . . . A 45 GLU HG3 . 36299 1 413 . 1 . 1 65 65 GLU C C 13 181.073 0.00 . 1 . . . . A 45 GLU C . 36299 1 414 . 1 . 1 65 65 GLU CA C 13 60.916 0.07 . 1 . . . . A 45 GLU CA . 36299 1 415 . 1 . 1 65 65 GLU CB C 13 29.399 0.00 . 1 . . . . A 45 GLU CB . 36299 1 416 . 1 . 1 65 65 GLU CG C 13 36.730 0.06 . 1 . . . . A 45 GLU CG . 36299 1 417 . 1 . 1 65 65 GLU N N 15 120.575 0.02 . 1 . . . . A 45 GLU N . 36299 1 418 . 1 . 1 66 66 VAL H H 1 8.092 0.00 . 1 . . . . A 46 VAL H . 36299 1 419 . 1 . 1 66 66 VAL HA H 1 3.820 0.01 . 1 . . . . A 46 VAL HA . 36299 1 420 . 1 . 1 66 66 VAL HB H 1 1.917 0.00 . 1 . . . . A 46 VAL HB . 36299 1 421 . 1 . 1 66 66 VAL HG11 H 1 0.905 0.00 . 2 . . . . A 46 VAL HG11 . 36299 1 422 . 1 . 1 66 66 VAL HG12 H 1 0.905 0.00 . 2 . . . . A 46 VAL HG12 . 36299 1 423 . 1 . 1 66 66 VAL HG13 H 1 0.905 0.00 . 2 . . . . A 46 VAL HG13 . 36299 1 424 . 1 . 1 66 66 VAL HG21 H 1 1.053 0.00 . 2 . . . . A 46 VAL HG21 . 36299 1 425 . 1 . 1 66 66 VAL HG22 H 1 1.053 0.00 . 2 . . . . A 46 VAL HG22 . 36299 1 426 . 1 . 1 66 66 VAL HG23 H 1 1.053 0.00 . 2 . . . . A 46 VAL HG23 . 36299 1 427 . 1 . 1 66 66 VAL CA C 13 66.186 0.03 . 1 . . . . A 46 VAL CA . 36299 1 428 . 1 . 1 66 66 VAL CB C 13 32.050 0.01 . 1 . . . . A 46 VAL CB . 36299 1 429 . 1 . 1 66 66 VAL CG1 C 13 21.013 0.10 . 2 . . . . A 46 VAL CG1 . 36299 1 430 . 1 . 1 66 66 VAL CG2 C 13 22.784 0.12 . 2 . . . . A 46 VAL CG2 . 36299 1 431 . 1 . 1 66 66 VAL N N 15 117.912 0.04 . 1 . . . . A 46 VAL N . 36299 1 432 . 1 . 1 67 67 GLN H H 1 7.465 0.00 . 1 . . . . A 47 GLN H . 36299 1 433 . 1 . 1 67 67 GLN HA H 1 3.986 0.01 . 1 . . . . A 47 GLN HA . 36299 1 434 . 1 . 1 67 67 GLN HB2 H 1 1.915 0.00 . 2 . . . . A 47 GLN HB2 . 36299 1 435 . 1 . 1 67 67 GLN HB3 H 1 2.311 0.00 . 2 . . . . A 47 GLN HB3 . 36299 1 436 . 1 . 1 67 67 GLN HG3 H 1 2.457 0.01 . 1 . . . . A 47 GLN HG3 . 36299 1 437 . 1 . 1 67 67 GLN HE21 H 1 6.758 0.00 . 2 . . . . A 47 GLN HE21 . 36299 1 438 . 1 . 1 67 67 GLN HE22 H 1 7.458 0.00 . 2 . . . . A 47 GLN HE22 . 36299 1 439 . 1 . 1 67 67 GLN C C 13 177.196 0.00 . 1 . . . . A 47 GLN C . 36299 1 440 . 1 . 1 67 67 GLN CA C 13 58.471 0.07 . 1 . . . . A 47 GLN CA . 36299 1 441 . 1 . 1 67 67 GLN CB C 13 29.685 0.01 . 1 . . . . A 47 GLN CB . 36299 1 442 . 1 . 1 67 67 GLN CG C 13 34.407 0.04 . 1 . . . . A 47 GLN CG . 36299 1 443 . 1 . 1 67 67 GLN N N 15 118.938 0.04 . 1 . . . . A 47 GLN N . 36299 1 444 . 1 . 1 67 67 GLN NE2 N 15 110.699 0.04 . 1 . . . . A 47 GLN NE2 . 36299 1 445 . 1 . 1 68 68 PHE H H 1 9.193 0.01 . 1 . . . . A 48 PHE H . 36299 1 446 . 1 . 1 68 68 PHE HA H 1 4.206 0.01 . 1 . . . . A 48 PHE HA . 36299 1 447 . 1 . 1 68 68 PHE HB3 H 1 3.043 0.00 . 2 . . . . A 48 PHE HB3 . 36299 1 448 . 1 . 1 68 68 PHE HD1 H 1 7.295 0.01 . 3 . . . . A 48 PHE HD1 . 36299 1 449 . 1 . 1 68 68 PHE HE1 H 1 7.245 0.00 . 3 . . . . A 48 PHE HE1 . 36299 1 450 . 1 . 1 68 68 PHE CA C 13 61.995 0.02 . 1 . . . . A 48 PHE CA . 36299 1 451 . 1 . 1 68 68 PHE CB C 13 38.919 0.04 . 1 . . . . A 48 PHE CB . 36299 1 452 . 1 . 1 68 68 PHE CD1 C 13 131.296 0.05 . 1 . . . . A 48 PHE CD1 . 36299 1 453 . 1 . 1 68 68 PHE CE1 C 13 130.531 0.03 . 1 . . . . A 48 PHE CE1 . 36299 1 454 . 1 . 1 68 68 PHE N N 15 120.557 0.03 . 1 . . . . A 48 PHE N . 36299 1 455 . 1 . 1 69 69 LEU H H 1 8.204 0.00 . 1 . . . . A 49 LEU H . 36299 1 456 . 1 . 1 69 69 LEU HA H 1 3.951 0.00 . 1 . . . . A 49 LEU HA . 36299 1 457 . 1 . 1 69 69 LEU HB2 H 1 2.005 0.00 . 2 . . . . A 49 LEU HB2 . 36299 1 458 . 1 . 1 69 69 LEU HB3 H 1 1.817 0.00 . 2 . . . . A 49 LEU HB3 . 36299 1 459 . 1 . 1 69 69 LEU HG H 1 1.593 0.01 . 1 . . . . A 49 LEU HG . 36299 1 460 . 1 . 1 69 69 LEU HD11 H 1 0.879 0.01 . 2 . . . . A 49 LEU HD11 . 36299 1 461 . 1 . 1 69 69 LEU HD12 H 1 0.879 0.01 . 2 . . . . A 49 LEU HD12 . 36299 1 462 . 1 . 1 69 69 LEU HD13 H 1 0.879 0.01 . 2 . . . . A 49 LEU HD13 . 36299 1 463 . 1 . 1 69 69 LEU HD21 H 1 0.938 0.01 . 2 . . . . A 49 LEU HD21 . 36299 1 464 . 1 . 1 69 69 LEU HD22 H 1 0.938 0.01 . 2 . . . . A 49 LEU HD22 . 36299 1 465 . 1 . 1 69 69 LEU HD23 H 1 0.938 0.01 . 2 . . . . A 49 LEU HD23 . 36299 1 466 . 1 . 1 69 69 LEU CA C 13 58.587 0.04 . 1 . . . . A 49 LEU CA . 36299 1 467 . 1 . 1 69 69 LEU CB C 13 41.425 0.02 . 1 . . . . A 49 LEU CB . 36299 1 468 . 1 . 1 69 69 LEU CG C 13 27.604 0.04 . 1 . . . . A 49 LEU CG . 36299 1 469 . 1 . 1 69 69 LEU CD1 C 13 23.597 0.11 . 2 . . . . A 49 LEU CD1 . 36299 1 470 . 1 . 1 69 69 LEU CD2 C 13 25.762 0.06 . 2 . . . . A 49 LEU CD2 . 36299 1 471 . 1 . 1 69 69 LEU N N 15 120.707 0.03 . 1 . . . . A 49 LEU N . 36299 1 472 . 1 . 1 70 70 GLU H H 1 8.031 0.01 . 1 . . . . A 50 GLU H . 36299 1 473 . 1 . 1 70 70 GLU HA H 1 3.695 0.01 . 1 . . . . A 50 GLU HA . 36299 1 474 . 1 . 1 70 70 GLU HB2 H 1 1.623 0.01 . 2 . . . . A 50 GLU HB2 . 36299 1 475 . 1 . 1 70 70 GLU HB3 H 1 2.015 0.00 . 2 . . . . A 50 GLU HB3 . 36299 1 476 . 1 . 1 70 70 GLU HG2 H 1 2.664 0.00 . 2 . . . . A 50 GLU HG2 . 36299 1 477 . 1 . 1 70 70 GLU HG3 H 1 1.920 0.00 . 2 . . . . A 50 GLU HG3 . 36299 1 478 . 1 . 1 70 70 GLU C C 13 180.083 0.00 . 1 . . . . A 50 GLU C . 36299 1 479 . 1 . 1 70 70 GLU CA C 13 60.514 0.04 . 1 . . . . A 50 GLU CA . 36299 1 480 . 1 . 1 70 70 GLU CB C 13 29.218 0.02 . 1 . . . . A 50 GLU CB . 36299 1 481 . 1 . 1 70 70 GLU CG C 13 37.381 0.02 . 1 . . . . A 50 GLU CG . 36299 1 482 . 1 . 1 70 70 GLU N N 15 120.750 0.04 . 1 . . . . A 50 GLU N . 36299 1 483 . 1 . 1 71 71 LEU H H 1 7.403 0.00 . 1 . . . . A 51 LEU H . 36299 1 484 . 1 . 1 71 71 LEU HA H 1 4.066 0.02 . 1 . . . . A 51 LEU HA . 36299 1 485 . 1 . 1 71 71 LEU HB2 H 1 1.675 0.01 . 2 . . . . A 51 LEU HB2 . 36299 1 486 . 1 . 1 71 71 LEU HB3 H 1 1.525 0.02 . 2 . . . . A 51 LEU HB3 . 36299 1 487 . 1 . 1 71 71 LEU HG H 1 1.356 0.01 . 1 . . . . A 51 LEU HG . 36299 1 488 . 1 . 1 71 71 LEU HD11 H 1 0.917 0.01 . 2 . . . . A 51 LEU HD11 . 36299 1 489 . 1 . 1 71 71 LEU HD12 H 1 0.917 0.01 . 2 . . . . A 51 LEU HD12 . 36299 1 490 . 1 . 1 71 71 LEU HD13 H 1 0.917 0.01 . 2 . . . . A 51 LEU HD13 . 36299 1 491 . 1 . 1 71 71 LEU HD21 H 1 0.889 0.00 . 2 . . . . A 51 LEU HD21 . 36299 1 492 . 1 . 1 71 71 LEU HD22 H 1 0.889 0.00 . 2 . . . . A 51 LEU HD22 . 36299 1 493 . 1 . 1 71 71 LEU HD23 H 1 0.889 0.00 . 2 . . . . A 51 LEU HD23 . 36299 1 494 . 1 . 1 71 71 LEU CA C 13 58.290 0.08 . 1 . . . . A 51 LEU CA . 36299 1 495 . 1 . 1 71 71 LEU CB C 13 41.445 0.03 . 1 . . . . A 51 LEU CB . 36299 1 496 . 1 . 1 71 71 LEU CG C 13 27.325 0.02 . 1 . . . . A 51 LEU CG . 36299 1 497 . 1 . 1 71 71 LEU CD1 C 13 22.982 0.07 . 1 . . . . A 51 LEU CD1 . 36299 1 498 . 1 . 1 71 71 LEU CD2 C 13 27.763 0.05 . 1 . . . . A 51 LEU CD2 . 36299 1 499 . 1 . 1 71 71 LEU N N 15 119.735 0.02 . 1 . . . . A 51 LEU N . 36299 1 500 . 1 . 1 72 72 SER H H 1 8.538 0.00 . 1 . . . . A 52 SER H . 36299 1 501 . 1 . 1 72 72 SER HA H 1 3.632 0.01 . 1 . . . . A 52 SER HA . 36299 1 502 . 1 . 1 72 72 SER HB2 H 1 2.915 0.00 . 2 . . . . A 52 SER HB2 . 36299 1 503 . 1 . 1 72 72 SER HB3 H 1 3.748 0.01 . 2 . . . . A 52 SER HB3 . 36299 1 504 . 1 . 1 72 72 SER CA C 13 62.437 0.05 . 1 . . . . A 52 SER CA . 36299 1 505 . 1 . 1 72 72 SER CB C 13 63.000 0.04 . 1 . . . . A 52 SER CB . 36299 1 506 . 1 . 1 72 72 SER N N 15 112.138 0.03 . 1 . . . . A 52 SER N . 36299 1 507 . 1 . 1 73 73 THR H H 1 7.981 0.00 . 1 . . . . A 53 THR H . 36299 1 508 . 1 . 1 73 73 THR HA H 1 3.453 0.01 . 1 . . . . A 53 THR HA . 36299 1 509 . 1 . 1 73 73 THR HB H 1 4.203 0.00 . 1 . . . . A 53 THR HB . 36299 1 510 . 1 . 1 73 73 THR HG21 H 1 1.312 0.00 . 1 . . . . A 53 THR HG21 . 36299 1 511 . 1 . 1 73 73 THR HG22 H 1 1.312 0.00 . 1 . . . . A 53 THR HG22 . 36299 1 512 . 1 . 1 73 73 THR HG23 H 1 1.312 0.00 . 1 . . . . A 53 THR HG23 . 36299 1 513 . 1 . 1 73 73 THR CA C 13 67.309 0.09 . 1 . . . . A 53 THR CA . 36299 1 514 . 1 . 1 73 73 THR CB C 13 69.044 0.01 . 1 . . . . A 53 THR CB . 36299 1 515 . 1 . 1 73 73 THR CG2 C 13 20.735 0.08 . 1 . . . . A 53 THR CG2 . 36299 1 516 . 1 . 1 73 73 THR N N 15 114.074 0.03 . 1 . . . . A 53 THR N . 36299 1 517 . 1 . 1 74 74 ASP H H 1 8.238 0.00 . 1 . . . . A 54 ASP H . 36299 1 518 . 1 . 1 74 74 ASP HA H 1 4.113 0.01 . 1 . . . . A 54 ASP HA . 36299 1 519 . 1 . 1 74 74 ASP HB2 H 1 2.934 0.01 . 2 . . . . A 54 ASP HB2 . 36299 1 520 . 1 . 1 74 74 ASP HB3 H 1 2.445 0.00 . 2 . . . . A 54 ASP HB3 . 36299 1 521 . 1 . 1 74 74 ASP C C 13 175.418 0.00 . 1 . . . . A 54 ASP C . 36299 1 522 . 1 . 1 74 74 ASP CA C 13 58.396 0.05 . 1 . . . . A 54 ASP CA . 36299 1 523 . 1 . 1 74 74 ASP CB C 13 39.902 0.03 . 1 . . . . A 54 ASP CB . 36299 1 524 . 1 . 1 74 74 ASP N N 15 124.203 0.02 . 1 . . . . A 54 ASP N . 36299 1 525 . 1 . 1 75 75 VAL H H 1 8.396 0.00 . 1 . . . . A 55 VAL H . 36299 1 526 . 1 . 1 75 75 VAL HA H 1 3.495 0.01 . 1 . . . . A 55 VAL HA . 36299 1 527 . 1 . 1 75 75 VAL HB H 1 2.093 0.00 . 1 . . . . A 55 VAL HB . 36299 1 528 . 1 . 1 75 75 VAL HG11 H 1 0.783 0.00 . 2 . . . . A 55 VAL HG11 . 36299 1 529 . 1 . 1 75 75 VAL HG12 H 1 0.783 0.00 . 2 . . . . A 55 VAL HG12 . 36299 1 530 . 1 . 1 75 75 VAL HG13 H 1 0.783 0.00 . 2 . . . . A 55 VAL HG13 . 36299 1 531 . 1 . 1 75 75 VAL HG21 H 1 0.989 0.00 . 2 . . . . A 55 VAL HG21 . 36299 1 532 . 1 . 1 75 75 VAL HG22 H 1 0.989 0.00 . 2 . . . . A 55 VAL HG22 . 36299 1 533 . 1 . 1 75 75 VAL HG23 H 1 0.989 0.00 . 2 . . . . A 55 VAL HG23 . 36299 1 534 . 1 . 1 75 75 VAL CA C 13 67.907 0.01 . 1 . . . . A 55 VAL CA . 36299 1 535 . 1 . 1 75 75 VAL CB C 13 31.547 0.03 . 1 . . . . A 55 VAL CB . 36299 1 536 . 1 . 1 75 75 VAL CG1 C 13 20.979 0.07 . 2 . . . . A 55 VAL CG1 . 36299 1 537 . 1 . 1 75 75 VAL CG2 C 13 24.265 0.06 . 2 . . . . A 55 VAL CG2 . 36299 1 538 . 1 . 1 75 75 VAL N N 15 119.230 0.02 . 1 . . . . A 55 VAL N . 36299 1 539 . 1 . 1 76 76 TYR H H 1 8.508 0.00 . 1 . . . . A 56 TYR H . 36299 1 540 . 1 . 1 76 76 TYR HA H 1 3.972 0.01 . 1 . . . . A 56 TYR HA . 36299 1 541 . 1 . 1 76 76 TYR HB2 H 1 2.667 0.00 . 2 . . . . A 56 TYR HB2 . 36299 1 542 . 1 . 1 76 76 TYR HB3 H 1 2.347 0.00 . 2 . . . . A 56 TYR HB3 . 36299 1 543 . 1 . 1 76 76 TYR HD1 H 1 7.101 0.00 . 3 . . . . A 56 TYR HD1 . 36299 1 544 . 1 . 1 76 76 TYR HE1 H 1 6.868 0.00 . 3 . . . . A 56 TYR HE1 . 36299 1 545 . 1 . 1 76 76 TYR CA C 13 61.162 0.01 . 1 . . . . A 56 TYR CA . 36299 1 546 . 1 . 1 76 76 TYR CB C 13 38.101 0.01 . 1 . . . . A 56 TYR CB . 36299 1 547 . 1 . 1 76 76 TYR CD1 C 13 133.986 0.03 . 1 . . . . A 56 TYR CD1 . 36299 1 548 . 1 . 1 76 76 TYR CE1 C 13 118.534 0.06 . 1 . . . . A 56 TYR CE1 . 36299 1 549 . 1 . 1 76 76 TYR N N 15 122.064 0.01 . 1 . . . . A 56 TYR N . 36299 1 550 . 1 . 1 77 77 ASP H H 1 9.222 0.00 . 1 . . . . A 57 ASP H . 36299 1 551 . 1 . 1 77 77 ASP HA H 1 4.142 0.01 . 1 . . . . A 57 ASP HA . 36299 1 552 . 1 . 1 77 77 ASP HB2 H 1 2.573 0.00 . 2 . . . . A 57 ASP HB2 . 36299 1 553 . 1 . 1 77 77 ASP HB3 H 1 2.870 0.00 . 2 . . . . A 57 ASP HB3 . 36299 1 554 . 1 . 1 77 77 ASP C C 13 175.614 0.00 . 1 . . . . A 57 ASP C . 36299 1 555 . 1 . 1 77 77 ASP CA C 13 57.373 0.04 . 1 . . . . A 57 ASP CA . 36299 1 556 . 1 . 1 77 77 ASP CB C 13 39.505 0.04 . 1 . . . . A 57 ASP CB . 36299 1 557 . 1 . 1 77 77 ASP N N 15 120.543 0.01 . 1 . . . . A 57 ASP N . 36299 1 558 . 1 . 1 78 78 GLU H H 1 8.535 0.00 . 1 . . . . A 58 GLU H . 36299 1 559 . 1 . 1 78 78 GLU HA H 1 4.507 0.01 . 1 . . . . A 58 GLU HA . 36299 1 560 . 1 . 1 78 78 GLU HB2 H 1 1.949 0.00 . 2 . . . . A 58 GLU HB2 . 36299 1 561 . 1 . 1 78 78 GLU HB3 H 1 2.210 0.00 . 2 . . . . A 58 GLU HB3 . 36299 1 562 . 1 . 1 78 78 GLU HG2 H 1 1.400 0.00 . 2 . . . . A 58 GLU HG2 . 36299 1 563 . 1 . 1 78 78 GLU C C 13 178.883 0.00 . 1 . . . . A 58 GLU C . 36299 1 564 . 1 . 1 78 78 GLU CA C 13 57.952 0.01 . 1 . . . . A 58 GLU CA . 36299 1 565 . 1 . 1 78 78 GLU CB C 13 27.780 0.02 . 1 . . . . A 58 GLU CB . 36299 1 566 . 1 . 1 78 78 GLU CG C 13 35.495 0.05 . 1 . . . . A 58 GLU CG . 36299 1 567 . 1 . 1 78 78 GLU N N 15 124.822 0.02 . 1 . . . . A 58 GLU N . 36299 1 568 . 1 . 1 79 79 LEU H H 1 8.964 0.00 . 1 . . . . A 59 LEU H . 36299 1 569 . 1 . 1 79 79 LEU HA H 1 3.598 0.01 . 1 . . . . A 59 LEU HA . 36299 1 570 . 1 . 1 79 79 LEU HB2 H 1 1.399 0.00 . 2 . . . . A 59 LEU HB2 . 36299 1 571 . 1 . 1 79 79 LEU HB3 H 1 2.115 0.00 . 2 . . . . A 59 LEU HB3 . 36299 1 572 . 1 . 1 79 79 LEU HG H 1 1.256 0.00 . 1 . . . . A 59 LEU HG . 36299 1 573 . 1 . 1 79 79 LEU HD11 H 1 0.301 0.00 . 2 . . . . A 59 LEU HD11 . 36299 1 574 . 1 . 1 79 79 LEU HD12 H 1 0.301 0.00 . 2 . . . . A 59 LEU HD12 . 36299 1 575 . 1 . 1 79 79 LEU HD13 H 1 0.301 0.00 . 2 . . . . A 59 LEU HD13 . 36299 1 576 . 1 . 1 79 79 LEU HD21 H 1 0.626 0.01 . 2 . . . . A 59 LEU HD21 . 36299 1 577 . 1 . 1 79 79 LEU HD22 H 1 0.626 0.01 . 2 . . . . A 59 LEU HD22 . 36299 1 578 . 1 . 1 79 79 LEU HD23 H 1 0.626 0.01 . 2 . . . . A 59 LEU HD23 . 36299 1 579 . 1 . 1 79 79 LEU CA C 13 58.661 0.07 . 1 . . . . A 59 LEU CA . 36299 1 580 . 1 . 1 79 79 LEU CB C 13 41.446 0.01 . 1 . . . . A 59 LEU CB . 36299 1 581 . 1 . 1 79 79 LEU CG C 13 26.757 0.03 . 1 . . . . A 59 LEU CG . 36299 1 582 . 1 . 1 79 79 LEU CD1 C 13 23.631 0.06 . 2 . . . . A 59 LEU CD1 . 36299 1 583 . 1 . 1 79 79 LEU CD2 C 13 25.965 0.04 . 2 . . . . A 59 LEU CD2 . 36299 1 584 . 1 . 1 79 79 LEU N N 15 124.110 0.05 . 1 . . . . A 59 LEU N . 36299 1 585 . 1 . 1 80 80 LYS H H 1 8.342 0.00 . 1 . . . . A 60 LYS H . 36299 1 586 . 1 . 1 80 80 LYS HA H 1 3.767 0.00 . 1 . . . . A 60 LYS HA . 36299 1 587 . 1 . 1 80 80 LYS HB2 H 1 1.537 0.01 . 2 . . . . A 60 LYS HB2 . 36299 1 588 . 1 . 1 80 80 LYS HB3 H 1 1.699 0.00 . 2 . . . . A 60 LYS HB3 . 36299 1 589 . 1 . 1 80 80 LYS HG2 H 1 0.960 0.01 . 2 . . . . A 60 LYS HG2 . 36299 1 590 . 1 . 1 80 80 LYS HD3 H 1 1.333 0.00 . 2 . . . . A 60 LYS HD3 . 36299 1 591 . 1 . 1 80 80 LYS HE2 H 1 2.548 0.00 . 2 . . . . A 60 LYS HE2 . 36299 1 592 . 1 . 1 80 80 LYS HE3 H 1 2.761 0.00 . 2 . . . . A 60 LYS HE3 . 36299 1 593 . 1 . 1 80 80 LYS CA C 13 58.121 0.05 . 1 . . . . A 60 LYS CA . 36299 1 594 . 1 . 1 80 80 LYS CB C 13 30.799 0.02 . 1 . . . . A 60 LYS CB . 36299 1 595 . 1 . 1 80 80 LYS CG C 13 23.682 0.10 . 1 . . . . A 60 LYS CG . 36299 1 596 . 1 . 1 80 80 LYS CD C 13 27.724 0.01 . 1 . . . . A 60 LYS CD . 36299 1 597 . 1 . 1 80 80 LYS CE C 13 42.090 0.04 . 1 . . . . A 60 LYS CE . 36299 1 598 . 1 . 1 80 80 LYS N N 15 117.689 0.03 . 1 . . . . A 60 LYS N . 36299 1 599 . 1 . 1 81 81 ARG H H 1 7.827 0.00 . 1 . . . . A 61 ARG H . 36299 1 600 . 1 . 1 81 81 ARG HA H 1 3.814 0.00 . 1 . . . . A 61 ARG HA . 36299 1 601 . 1 . 1 81 81 ARG HB2 H 1 2.015 0.00 . 2 . . . . A 61 ARG HB2 . 36299 1 602 . 1 . 1 81 81 ARG HB3 H 1 1.661 0.02 . 2 . . . . A 61 ARG HB3 . 36299 1 603 . 1 . 1 81 81 ARG HG3 H 1 1.389 0.00 . 2 . . . . A 61 ARG HG3 . 36299 1 604 . 1 . 1 81 81 ARG CA C 13 59.934 0.04 . 1 . . . . A 61 ARG CA . 36299 1 605 . 1 . 1 81 81 ARG CB C 13 30.368 0.09 . 1 . . . . A 61 ARG CB . 36299 1 606 . 1 . 1 81 81 ARG CG C 13 25.884 0.00 . 1 . . . . A 61 ARG CG . 36299 1 607 . 1 . 1 81 81 ARG N N 15 122.525 0.02 . 1 . . . . A 61 ARG N . 36299 1 608 . 1 . 1 82 82 ARG H H 1 8.496 0.00 . 1 . . . . A 62 ARG H . 36299 1 609 . 1 . 1 82 82 ARG HA H 1 3.604 0.01 . 1 . . . . A 62 ARG HA . 36299 1 610 . 1 . 1 82 82 ARG HB2 H 1 1.597 0.00 . 2 . . . . A 62 ARG HB2 . 36299 1 611 . 1 . 1 82 82 ARG HG2 H 1 1.174 0.00 . 2 . . . . A 62 ARG HG2 . 36299 1 612 . 1 . 1 82 82 ARG HD2 H 1 2.846 0.00 . 2 . . . . A 62 ARG HD2 . 36299 1 613 . 1 . 1 82 82 ARG HD3 H 1 1.838 0.00 . 2 . . . . A 62 ARG HD3 . 36299 1 614 . 1 . 1 82 82 ARG HE H 1 8.754 0.00 . 1 . . . . A 62 ARG HE . 36299 1 615 . 1 . 1 82 82 ARG CA C 13 60.500 0.03 . 1 . . . . A 62 ARG CA . 36299 1 616 . 1 . 1 82 82 ARG CB C 13 29.517 0.03 . 1 . . . . A 62 ARG CB . 36299 1 617 . 1 . 1 82 82 ARG CG C 13 29.738 0.00 . 1 . . . . A 62 ARG CG . 36299 1 618 . 1 . 1 82 82 ARG CD C 13 43.180 0.02 . 1 . . . . A 62 ARG CD . 36299 1 619 . 1 . 1 82 82 ARG N N 15 118.040 0.02 . 1 . . . . A 62 ARG N . 36299 1 620 . 1 . 1 82 82 ARG NE N 15 89.106 0.05 . 1 . . . . A 62 ARG NE . 36299 1 621 . 1 . 1 83 83 GLU H H 1 8.637 0.01 . 1 . . . . A 63 GLU H . 36299 1 622 . 1 . 1 83 83 GLU HA H 1 3.977 0.00 . 1 . . . . A 63 GLU HA . 36299 1 623 . 1 . 1 83 83 GLU HB2 H 1 1.938 0.01 . 2 . . . . A 63 GLU HB2 . 36299 1 624 . 1 . 1 83 83 GLU HB3 H 1 2.123 0.00 . 2 . . . . A 63 GLU HB3 . 36299 1 625 . 1 . 1 83 83 GLU HG2 H 1 2.386 0.00 . 2 . . . . A 63 GLU HG2 . 36299 1 626 . 1 . 1 83 83 GLU HG3 H 1 2.077 0.00 . 2 . . . . A 63 GLU HG3 . 36299 1 627 . 1 . 1 83 83 GLU C C 13 180.511 0.00 . 1 . . . . A 63 GLU C . 36299 1 628 . 1 . 1 83 83 GLU CA C 13 59.445 0.07 . 1 . . . . A 63 GLU CA . 36299 1 629 . 1 . 1 83 83 GLU CB C 13 29.956 0.05 . 1 . . . . A 63 GLU CB . 36299 1 630 . 1 . 1 83 83 GLU CG C 13 37.003 0.05 . 1 . . . . A 63 GLU CG . 36299 1 631 . 1 . 1 83 83 GLU N N 15 121.380 0.02 . 1 . . . . A 63 GLU N . 36299 1 632 . 1 . 1 84 84 GLN H H 1 7.811 0.00 . 1 . . . . A 64 GLN H . 36299 1 633 . 1 . 1 84 84 GLN HA H 1 3.926 0.00 . 1 . . . . A 64 GLN HA . 36299 1 634 . 1 . 1 84 84 GLN HB2 H 1 2.021 0.00 . 2 . . . . A 64 GLN HB2 . 36299 1 635 . 1 . 1 84 84 GLN HB3 H 1 2.296 0.00 . 2 . . . . A 64 GLN HB3 . 36299 1 636 . 1 . 1 84 84 GLN HG2 H 1 2.344 0.00 . 2 . . . . A 64 GLN HG2 . 36299 1 637 . 1 . 1 84 84 GLN HG3 H 1 2.513 0.00 . 2 . . . . A 64 GLN HG3 . 36299 1 638 . 1 . 1 84 84 GLN HE21 H 1 6.765 0.00 . 2 . . . . A 64 GLN HE21 . 36299 1 639 . 1 . 1 84 84 GLN HE22 H 1 7.335 0.00 . 2 . . . . A 64 GLN HE22 . 36299 1 640 . 1 . 1 84 84 GLN C C 13 177.178 0.00 . 1 . . . . A 64 GLN C . 36299 1 641 . 1 . 1 84 84 GLN CA C 13 58.947 0.03 . 1 . . . . A 64 GLN CA . 36299 1 642 . 1 . 1 84 84 GLN CB C 13 28.401 0.02 . 1 . . . . A 64 GLN CB . 36299 1 643 . 1 . 1 84 84 GLN CG C 13 34.114 0.04 . 1 . . . . A 64 GLN CG . 36299 1 644 . 1 . 1 84 84 GLN N N 15 119.094 0.02 . 1 . . . . A 64 GLN N . 36299 1 645 . 1 . 1 84 84 GLN NE2 N 15 111.127 0.00 . 1 . . . . A 64 GLN NE2 . 36299 1 646 . 1 . 1 85 85 VAL H H 1 8.043 0.00 . 1 . . . . A 65 VAL H . 36299 1 647 . 1 . 1 85 85 VAL HA H 1 3.411 0.00 . 1 . . . . A 65 VAL HA . 36299 1 648 . 1 . 1 85 85 VAL HB H 1 2.086 0.00 . 1 . . . . A 65 VAL HB . 36299 1 649 . 1 . 1 85 85 VAL HG11 H 1 0.945 0.00 . 2 . . . . A 65 VAL HG11 . 36299 1 650 . 1 . 1 85 85 VAL HG12 H 1 0.945 0.00 . 2 . . . . A 65 VAL HG12 . 36299 1 651 . 1 . 1 85 85 VAL HG13 H 1 0.945 0.00 . 2 . . . . A 65 VAL HG13 . 36299 1 652 . 1 . 1 85 85 VAL HG21 H 1 0.875 0.01 . 2 . . . . A 65 VAL HG21 . 36299 1 653 . 1 . 1 85 85 VAL HG22 H 1 0.875 0.01 . 2 . . . . A 65 VAL HG22 . 36299 1 654 . 1 . 1 85 85 VAL HG23 H 1 0.875 0.01 . 2 . . . . A 65 VAL HG23 . 36299 1 655 . 1 . 1 85 85 VAL CA C 13 66.469 0.06 . 1 . . . . A 65 VAL CA . 36299 1 656 . 1 . 1 85 85 VAL CB C 13 32.043 0.01 . 1 . . . . A 65 VAL CB . 36299 1 657 . 1 . 1 85 85 VAL CG1 C 13 22.639 0.15 . 2 . . . . A 65 VAL CG1 . 36299 1 658 . 1 . 1 85 85 VAL CG2 C 13 21.152 0.08 . 2 . . . . A 65 VAL CG2 . 36299 1 659 . 1 . 1 85 85 VAL N N 15 120.077 0.01 . 1 . . . . A 65 VAL N . 36299 1 660 . 1 . 1 86 86 ALA H H 1 7.791 0.00 . 1 . . . . A 66 ALA H . 36299 1 661 . 1 . 1 86 86 ALA HA H 1 4.114 0.00 . 1 . . . . A 66 ALA HA . 36299 1 662 . 1 . 1 86 86 ALA HB1 H 1 1.460 0.01 . 1 . . . . A 66 ALA HB1 . 36299 1 663 . 1 . 1 86 86 ALA HB2 H 1 1.460 0.01 . 1 . . . . A 66 ALA HB2 . 36299 1 664 . 1 . 1 86 86 ALA HB3 H 1 1.460 0.01 . 1 . . . . A 66 ALA HB3 . 36299 1 665 . 1 . 1 86 86 ALA CA C 13 54.293 0.04 . 1 . . . . A 66 ALA CA . 36299 1 666 . 1 . 1 86 86 ALA CB C 13 18.552 0.05 . 1 . . . . A 66 ALA CB . 36299 1 667 . 1 . 1 86 86 ALA N N 15 120.690 0.03 . 1 . . . . A 66 ALA N . 36299 1 668 . 1 . 1 87 87 ARG H H 1 7.507 0.00 . 1 . . . . A 67 ARG H . 36299 1 669 . 1 . 1 87 87 ARG HA H 1 4.211 0.02 . 1 . . . . A 67 ARG HA . 36299 1 670 . 1 . 1 87 87 ARG HB2 H 1 1.804 0.00 . 2 . . . . A 67 ARG HB2 . 36299 1 671 . 1 . 1 87 87 ARG HB3 H 1 1.904 0.00 . 2 . . . . A 67 ARG HB3 . 36299 1 672 . 1 . 1 87 87 ARG HG2 H 1 1.705 0.00 . 2 . . . . A 67 ARG HG2 . 36299 1 673 . 1 . 1 87 87 ARG HD3 H 1 3.136 0.00 . 2 . . . . A 67 ARG HD3 . 36299 1 674 . 1 . 1 87 87 ARG CA C 13 56.677 0.01 . 1 . . . . A 67 ARG CA . 36299 1 675 . 1 . 1 87 87 ARG CB C 13 30.672 0.01 . 1 . . . . A 67 ARG CB . 36299 1 676 . 1 . 1 87 87 ARG CG C 13 27.479 0.00 . 1 . . . . A 67 ARG CG . 36299 1 677 . 1 . 1 87 87 ARG CD C 13 43.609 0.00 . 1 . . . . A 67 ARG CD . 36299 1 678 . 1 . 1 87 87 ARG N N 15 115.181 0.03 . 1 . . . . A 67 ARG N . 36299 1 679 . 1 . 1 88 88 ARG H H 1 7.364 0.00 . 1 . . . . A 68 ARG H . 36299 1 680 . 1 . 1 88 88 ARG HA H 1 4.118 0.00 . 1 . . . . A 68 ARG HA . 36299 1 681 . 1 . 1 88 88 ARG HB3 H 1 1.822 0.00 . 2 . . . . A 68 ARG HB3 . 36299 1 682 . 1 . 1 88 88 ARG HG2 H 1 1.702 0.00 . 2 . . . . A 68 ARG HG2 . 36299 1 683 . 1 . 1 88 88 ARG HD3 H 1 3.155 0.00 . 2 . . . . A 68 ARG HD3 . 36299 1 684 . 1 . 1 88 88 ARG CA C 13 57.035 0.01 . 1 . . . . A 68 ARG CA . 36299 1 685 . 1 . 1 88 88 ARG CB C 13 30.752 0.01 . 1 . . . . A 68 ARG CB . 36299 1 686 . 1 . 1 88 88 ARG CG C 13 27.259 0.01 . 1 . . . . A 68 ARG CG . 36299 1 687 . 1 . 1 88 88 ARG CD C 13 43.713 0.00 . 1 . . . . A 68 ARG CD . 36299 1 688 . 1 . 1 88 88 ARG N N 15 120.453 0.02 . 1 . . . . A 68 ARG N . 36299 1 689 . 1 . 1 89 89 GLY H H 1 8.154 0.00 . 1 . . . . A 69 GLY H . 36299 1 690 . 1 . 1 89 89 GLY HA2 H 1 3.992 0.00 . 2 . . . . A 69 GLY HA2 . 36299 1 691 . 1 . 1 89 89 GLY HA3 H 1 4.241 0.00 . 2 . . . . A 69 GLY HA3 . 36299 1 692 . 1 . 1 89 89 GLY CA C 13 44.505 0.01 . 1 . . . . A 69 GLY CA . 36299 1 693 . 1 . 1 89 89 GLY N N 15 110.355 0.01 . 1 . . . . A 69 GLY N . 36299 1 694 . 1 . 1 90 90 PRO HA H 1 4.380 0.00 . 1 . . . . A 70 PRO HA . 36299 1 695 . 1 . 1 90 90 PRO HD3 H 1 3.629 0.00 . 1 . . . . A 70 PRO HD3 . 36299 1 696 . 1 . 1 90 90 PRO CA C 13 63.954 0.01 . 1 . . . . A 70 PRO CA . 36299 1 697 . 1 . 1 90 90 PRO CD C 13 49.749 0.00 . 1 . . . . A 70 PRO CD . 36299 1 698 . 1 . 1 91 91 ASN H H 1 8.566 0.00 . 1 . . . . A 71 ASN H . 36299 1 699 . 1 . 1 91 91 ASN HA H 1 4.701 0.00 . 1 . . . . A 71 ASN HA . 36299 1 700 . 1 . 1 91 91 ASN HB2 H 1 2.691 0.00 . 1 . . . . A 71 ASN HB2 . 36299 1 701 . 1 . 1 91 91 ASN HB3 H 1 2.878 0.00 . 1 . . . . A 71 ASN HB3 . 36299 1 702 . 1 . 1 91 91 ASN HD21 H 1 6.899 0.00 . 2 . . . . A 71 ASN HD21 . 36299 1 703 . 1 . 1 91 91 ASN HD22 H 1 7.565 0.00 . 2 . . . . A 71 ASN HD22 . 36299 1 704 . 1 . 1 91 91 ASN C C 13 175.251 0.00 . 1 . . . . A 71 ASN C . 36299 1 705 . 1 . 1 91 91 ASN CA C 13 52.816 0.05 . 1 . . . . A 71 ASN CA . 36299 1 706 . 1 . 1 91 91 ASN CB C 13 38.345 0.06 . 1 . . . . A 71 ASN CB . 36299 1 707 . 1 . 1 91 91 ASN N N 15 116.246 0.03 . 1 . . . . A 71 ASN N . 36299 1 708 . 1 . 1 91 91 ASN ND2 N 15 113.149 0.01 . 1 . . . . A 71 ASN ND2 . 36299 1 709 . 1 . 1 92 92 ALA H H 1 7.451 0.00 . 1 . . . . A 72 ALA H . 36299 1 710 . 1 . 1 92 92 ALA HA H 1 4.434 0.01 . 1 . . . . A 72 ALA HA . 36299 1 711 . 1 . 1 92 92 ALA HB1 H 1 1.279 0.00 . 1 . . . . A 72 ALA HB1 . 36299 1 712 . 1 . 1 92 92 ALA HB2 H 1 1.279 0.00 . 1 . . . . A 72 ALA HB2 . 36299 1 713 . 1 . 1 92 92 ALA HB3 H 1 1.279 0.00 . 1 . . . . A 72 ALA HB3 . 36299 1 714 . 1 . 1 92 92 ALA CA C 13 50.838 0.00 . 1 . . . . A 72 ALA CA . 36299 1 715 . 1 . 1 92 92 ALA CB C 13 17.718 0.08 . 1 . . . . A 72 ALA CB . 36299 1 716 . 1 . 1 92 92 ALA N N 15 124.205 0.02 . 1 . . . . A 72 ALA N . 36299 1 717 . 1 . 1 93 93 PRO HA H 1 4.676 0.00 . 1 . . . . A 73 PRO HA . 36299 1 718 . 1 . 1 93 93 PRO HB2 H 1 2.365 0.00 . 2 . . . . A 73 PRO HB2 . 36299 1 719 . 1 . 1 93 93 PRO HB3 H 1 2.039 0.01 . 2 . . . . A 73 PRO HB3 . 36299 1 720 . 1 . 1 93 93 PRO HD2 H 1 3.500 0.00 . 2 . . . . A 73 PRO HD2 . 36299 1 721 . 1 . 1 93 93 PRO HD3 H 1 3.814 0.00 . 2 . . . . A 73 PRO HD3 . 36299 1 722 . 1 . 1 93 93 PRO CA C 13 61.532 0.00 . 1 . . . . A 73 PRO CA . 36299 1 723 . 1 . 1 93 93 PRO CB C 13 31.275 0.04 . 1 . . . . A 73 PRO CB . 36299 1 724 . 1 . 1 93 93 PRO CD C 13 50.480 0.01 . 1 . . . . A 73 PRO CD . 36299 1 725 . 1 . 1 94 94 PRO HA H 1 4.244 0.01 . 1 . . . . A 74 PRO HA . 36299 1 726 . 1 . 1 94 94 PRO HB2 H 1 2.311 0.00 . 2 . . . . A 74 PRO HB2 . 36299 1 727 . 1 . 1 94 94 PRO HB3 H 1 1.918 0.00 . 2 . . . . A 74 PRO HB3 . 36299 1 728 . 1 . 1 94 94 PRO HG3 H 1 2.065 0.00 . 2 . . . . A 74 PRO HG3 . 36299 1 729 . 1 . 1 94 94 PRO HD2 H 1 3.838 0.00 . 2 . . . . A 74 PRO HD2 . 36299 1 730 . 1 . 1 94 94 PRO CA C 13 64.846 0.09 . 1 . . . . A 74 PRO CA . 36299 1 731 . 1 . 1 94 94 PRO CB C 13 31.803 0.05 . 1 . . . . A 74 PRO CB . 36299 1 732 . 1 . 1 94 94 PRO CG C 13 27.529 0.00 . 1 . . . . A 74 PRO CG . 36299 1 733 . 1 . 1 94 94 PRO CD C 13 50.883 0.00 . 1 . . . . A 74 PRO CD . 36299 1 734 . 1 . 1 95 95 GLU H H 1 9.414 0.00 . 1 . . . . A 75 GLU H . 36299 1 735 . 1 . 1 95 95 GLU HA H 1 4.164 0.00 . 1 . . . . A 75 GLU HA . 36299 1 736 . 1 . 1 95 95 GLU HB2 H 1 2.040 0.00 . 2 . . . . A 75 GLU HB2 . 36299 1 737 . 1 . 1 95 95 GLU HG3 H 1 2.280 0.01 . 2 . . . . A 75 GLU HG3 . 36299 1 738 . 1 . 1 95 95 GLU C C 13 180.954 0.00 . 1 . . . . A 75 GLU C . 36299 1 739 . 1 . 1 95 95 GLU CA C 13 58.917 0.04 . 1 . . . . A 75 GLU CA . 36299 1 740 . 1 . 1 95 95 GLU CB C 13 28.608 0.05 . 1 . . . . A 75 GLU CB . 36299 1 741 . 1 . 1 95 95 GLU CG C 13 36.318 0.01 . 1 . . . . A 75 GLU CG . 36299 1 742 . 1 . 1 95 95 GLU N N 15 117.111 0.02 . 1 . . . . A 75 GLU N . 36299 1 743 . 1 . 1 96 96 THR H H 1 7.436 0.00 . 1 . . . . A 76 THR H . 36299 1 744 . 1 . 1 96 96 THR HA H 1 4.415 0.00 . 1 . . . . A 76 THR HA . 36299 1 745 . 1 . 1 96 96 THR HB H 1 4.443 0.00 . 1 . . . . A 76 THR HB . 36299 1 746 . 1 . 1 96 96 THR HG21 H 1 1.103 0.01 . 1 . . . . A 76 THR HG21 . 36299 1 747 . 1 . 1 96 96 THR HG22 H 1 1.103 0.01 . 1 . . . . A 76 THR HG22 . 36299 1 748 . 1 . 1 96 96 THR HG23 H 1 1.103 0.01 . 1 . . . . A 76 THR HG23 . 36299 1 749 . 1 . 1 96 96 THR CA C 13 60.383 0.01 . 1 . . . . A 76 THR CA . 36299 1 750 . 1 . 1 96 96 THR CB C 13 69.002 0.00 . 1 . . . . A 76 THR CB . 36299 1 751 . 1 . 1 96 96 THR CG2 C 13 22.047 0.09 . 1 . . . . A 76 THR CG2 . 36299 1 752 . 1 . 1 96 96 THR N N 15 108.225 0.03 . 1 . . . . A 76 THR N . 36299 1 753 . 1 . 1 97 97 ALA H H 1 7.418 0.00 . 1 . . . . A 77 ALA H . 36299 1 754 . 1 . 1 97 97 ALA HA H 1 4.141 0.00 . 1 . . . . A 77 ALA HA . 36299 1 755 . 1 . 1 97 97 ALA HB1 H 1 1.293 0.00 . 1 . . . . A 77 ALA HB1 . 36299 1 756 . 1 . 1 97 97 ALA HB2 H 1 1.293 0.00 . 1 . . . . A 77 ALA HB2 . 36299 1 757 . 1 . 1 97 97 ALA HB3 H 1 1.293 0.00 . 1 . . . . A 77 ALA HB3 . 36299 1 758 . 1 . 1 97 97 ALA CA C 13 51.060 0.02 . 1 . . . . A 77 ALA CA . 36299 1 759 . 1 . 1 97 97 ALA CB C 13 17.900 0.10 . 1 . . . . A 77 ALA CB . 36299 1 760 . 1 . 1 97 97 ALA N N 15 126.507 0.02 . 1 . . . . A 77 ALA N . 36299 1 761 . 1 . 1 98 98 PRO HB2 H 1 1.700 0.00 . 2 . . . . A 78 PRO HB2 . 36299 1 762 . 1 . 1 98 98 PRO HG2 H 1 1.790 0.00 . 2 . . . . A 78 PRO HG2 . 36299 1 763 . 1 . 1 98 98 PRO HD2 H 1 3.509 0.00 . 2 . . . . A 78 PRO HD2 . 36299 1 764 . 1 . 1 98 98 PRO HD3 H 1 3.726 0.00 . 2 . . . . A 78 PRO HD3 . 36299 1 765 . 1 . 1 98 98 PRO CB C 13 30.047 0.00 . 1 . . . . A 78 PRO CB . 36299 1 766 . 1 . 1 98 98 PRO CG C 13 27.605 0.02 . 1 . . . . A 78 PRO CG . 36299 1 767 . 1 . 1 98 98 PRO CD C 13 50.189 0.08 . 1 . . . . A 78 PRO CD . 36299 1 768 . 1 . 1 99 99 PRO HA H 1 4.332 0.00 . 1 . . . . A 79 PRO HA . 36299 1 769 . 1 . 1 99 99 PRO HB2 H 1 2.024 0.00 . 2 . . . . A 79 PRO HB2 . 36299 1 770 . 1 . 1 99 99 PRO HG2 H 1 1.739 0.00 . 2 . . . . A 79 PRO HG2 . 36299 1 771 . 1 . 1 99 99 PRO HG3 H 1 1.916 0.00 . 2 . . . . A 79 PRO HG3 . 36299 1 772 . 1 . 1 99 99 PRO CA C 13 62.253 0.01 . 1 . . . . A 79 PRO CA . 36299 1 773 . 1 . 1 99 99 PRO CB C 13 32.234 0.01 . 1 . . . . A 79 PRO CB . 36299 1 774 . 1 . 1 99 99 PRO CG C 13 27.319 0.03 . 1 . . . . A 79 PRO CG . 36299 1 775 . 1 . 1 100 100 ASP H H 1 8.329 0.00 . 1 . . . . A 80 ASP H . 36299 1 776 . 1 . 1 100 100 ASP HA H 1 4.218 0.00 . 1 . . . . A 80 ASP HA . 36299 1 777 . 1 . 1 100 100 ASP HB2 H 1 2.774 0.00 . 2 . . . . A 80 ASP HB2 . 36299 1 778 . 1 . 1 100 100 ASP HB3 H 1 2.419 0.00 . 2 . . . . A 80 ASP HB3 . 36299 1 779 . 1 . 1 100 100 ASP C C 13 177.257 0.00 . 1 . . . . A 80 ASP C . 36299 1 780 . 1 . 1 100 100 ASP CA C 13 55.537 0.01 . 1 . . . . A 80 ASP CA . 36299 1 781 . 1 . 1 100 100 ASP CB C 13 41.181 0.03 . 1 . . . . A 80 ASP CB . 36299 1 782 . 1 . 1 100 100 ASP N N 15 118.874 0.03 . 1 . . . . A 80 ASP N . 36299 1 783 . 1 . 1 101 101 PHE H H 1 7.106 0.00 . 1 . . . . A 81 PHE H . 36299 1 784 . 1 . 1 101 101 PHE HA H 1 4.429 0.01 . 1 . . . . A 81 PHE HA . 36299 1 785 . 1 . 1 101 101 PHE HB2 H 1 3.034 0.01 . 2 . . . . A 81 PHE HB2 . 36299 1 786 . 1 . 1 101 101 PHE HB3 H 1 3.484 0.01 . 2 . . . . A 81 PHE HB3 . 36299 1 787 . 1 . 1 101 101 PHE HD1 H 1 6.967 0.00 . 3 . . . . A 81 PHE HD1 . 36299 1 788 . 1 . 1 101 101 PHE HE1 H 1 7.220 0.00 . 3 . . . . A 81 PHE HE1 . 36299 1 789 . 1 . 1 101 101 PHE CA C 13 54.731 0.04 . 1 . . . . A 81 PHE CA . 36299 1 790 . 1 . 1 101 101 PHE CB C 13 40.695 0.09 . 1 . . . . A 81 PHE CB . 36299 1 791 . 1 . 1 101 101 PHE CD1 C 13 133.253 0.07 . 1 . . . . A 81 PHE CD1 . 36299 1 792 . 1 . 1 101 101 PHE CE1 C 13 130.940 0.04 . 1 . . . . A 81 PHE CE1 . 36299 1 793 . 1 . 1 101 101 PHE N N 15 110.988 0.02 . 1 . . . . A 81 PHE N . 36299 1 794 . 1 . 1 102 102 LEU H H 1 9.216 0.00 . 1 . . . . A 82 LEU H . 36299 1 795 . 1 . 1 102 102 LEU HA H 1 4.133 0.00 . 1 . . . . A 82 LEU HA . 36299 1 796 . 1 . 1 102 102 LEU HB2 H 1 1.624 0.00 . 2 . . . . A 82 LEU HB2 . 36299 1 797 . 1 . 1 102 102 LEU HG H 1 1.978 0.00 . 1 . . . . A 82 LEU HG . 36299 1 798 . 1 . 1 102 102 LEU HD11 H 1 0.806 0.01 . 2 . . . . A 82 LEU HD11 . 36299 1 799 . 1 . 1 102 102 LEU HD12 H 1 0.806 0.01 . 2 . . . . A 82 LEU HD12 . 36299 1 800 . 1 . 1 102 102 LEU HD13 H 1 0.806 0.01 . 2 . . . . A 82 LEU HD13 . 36299 1 801 . 1 . 1 102 102 LEU HD21 H 1 0.985 0.01 . 2 . . . . A 82 LEU HD21 . 36299 1 802 . 1 . 1 102 102 LEU HD22 H 1 0.985 0.01 . 2 . . . . A 82 LEU HD22 . 36299 1 803 . 1 . 1 102 102 LEU HD23 H 1 0.985 0.01 . 2 . . . . A 82 LEU HD23 . 36299 1 804 . 1 . 1 102 102 LEU CA C 13 54.971 0.00 . 1 . . . . A 82 LEU CA . 36299 1 805 . 1 . 1 102 102 LEU CB C 13 41.237 0.00 . 1 . . . . A 82 LEU CB . 36299 1 806 . 1 . 1 102 102 LEU CG C 13 26.470 0.00 . 1 . . . . A 82 LEU CG . 36299 1 807 . 1 . 1 102 102 LEU CD1 C 13 23.146 0.06 . 2 . . . . A 82 LEU CD1 . 36299 1 808 . 1 . 1 102 102 LEU CD2 C 13 25.930 0.08 . 2 . . . . A 82 LEU CD2 . 36299 1 809 . 1 . 1 102 102 LEU N N 15 118.657 0.05 . 1 . . . . A 82 LEU N . 36299 1 810 . 1 . 1 103 103 LEU H H 1 7.868 0.00 . 1 . . . . A 83 LEU H . 36299 1 811 . 1 . 1 103 103 LEU HA H 1 4.138 0.00 . 1 . . . . A 83 LEU HA . 36299 1 812 . 1 . 1 103 103 LEU HB3 H 1 1.509 0.00 . 2 . . . . A 83 LEU HB3 . 36299 1 813 . 1 . 1 103 103 LEU HG H 1 1.638 0.00 . 1 . . . . A 83 LEU HG . 36299 1 814 . 1 . 1 103 103 LEU HD11 H 1 0.568 0.01 . 2 . . . . A 83 LEU HD11 . 36299 1 815 . 1 . 1 103 103 LEU HD12 H 1 0.568 0.01 . 2 . . . . A 83 LEU HD12 . 36299 1 816 . 1 . 1 103 103 LEU HD13 H 1 0.568 0.01 . 2 . . . . A 83 LEU HD13 . 36299 1 817 . 1 . 1 103 103 LEU HD21 H 1 0.831 0.00 . 2 . . . . A 83 LEU HD21 . 36299 1 818 . 1 . 1 103 103 LEU HD22 H 1 0.831 0.00 . 2 . . . . A 83 LEU HD22 . 36299 1 819 . 1 . 1 103 103 LEU HD23 H 1 0.831 0.00 . 2 . . . . A 83 LEU HD23 . 36299 1 820 . 1 . 1 103 103 LEU CA C 13 53.260 0.04 . 1 . . . . A 83 LEU CA . 36299 1 821 . 1 . 1 103 103 LEU CB C 13 40.519 0.00 . 1 . . . . A 83 LEU CB . 36299 1 822 . 1 . 1 103 103 LEU CG C 13 26.639 0.00 . 1 . . . . A 83 LEU CG . 36299 1 823 . 1 . 1 103 103 LEU CD1 C 13 22.233 0.08 . 2 . . . . A 83 LEU CD1 . 36299 1 824 . 1 . 1 103 103 LEU CD2 C 13 25.260 0.08 . 2 . . . . A 83 LEU CD2 . 36299 1 825 . 1 . 1 103 103 LEU N N 15 125.876 0.03 . 1 . . . . A 83 LEU N . 36299 1 826 . 1 . 1 104 104 PRO HA H 1 4.199 0.00 . 1 . . . . A 84 PRO HA . 36299 1 827 . 1 . 1 104 104 PRO HB2 H 1 1.893 0.00 . 2 . . . . A 84 PRO HB2 . 36299 1 828 . 1 . 1 104 104 PRO HB3 H 1 2.061 0.00 . 2 . . . . A 84 PRO HB3 . 36299 1 829 . 1 . 1 104 104 PRO HG3 H 1 2.088 0.00 . 2 . . . . A 84 PRO HG3 . 36299 1 830 . 1 . 1 104 104 PRO HD2 H 1 3.740 0.00 . 2 . . . . A 84 PRO HD2 . 36299 1 831 . 1 . 1 104 104 PRO CA C 13 63.386 0.02 . 1 . . . . A 84 PRO CA . 36299 1 832 . 1 . 1 104 104 PRO CB C 13 31.733 0.05 . 1 . . . . A 84 PRO CB . 36299 1 833 . 1 . 1 104 104 PRO CG C 13 27.691 0.00 . 1 . . . . A 84 PRO CG . 36299 1 834 . 1 . 1 104 104 PRO CD C 13 50.079 0.00 . 1 . . . . A 84 PRO CD . 36299 1 835 . 1 . 1 105 105 GLN H H 1 8.188 0.00 . 1 . . . . A 85 GLN H . 36299 1 836 . 1 . 1 105 105 GLN HA H 1 4.604 0.00 . 1 . . . . A 85 GLN HA . 36299 1 837 . 1 . 1 105 105 GLN HB2 H 1 1.204 0.00 . 2 . . . . A 85 GLN HB2 . 36299 1 838 . 1 . 1 105 105 GLN HB3 H 1 1.836 0.01 . 2 . . . . A 85 GLN HB3 . 36299 1 839 . 1 . 1 105 105 GLN HG2 H 1 2.111 0.01 . 1 . . . . A 85 GLN HG2 . 36299 1 840 . 1 . 1 105 105 GLN HE21 H 1 6.726 0.00 . 2 . . . . A 85 GLN HE21 . 36299 1 841 . 1 . 1 105 105 GLN HE22 H 1 7.190 0.00 . 2 . . . . A 85 GLN HE22 . 36299 1 842 . 1 . 1 105 105 GLN C C 13 176.951 0.00 . 1 . . . . A 85 GLN C . 36299 1 843 . 1 . 1 105 105 GLN CA C 13 53.705 0.00 . 1 . . . . A 85 GLN CA . 36299 1 844 . 1 . 1 105 105 GLN CB C 13 30.821 0.06 . 1 . . . . A 85 GLN CB . 36299 1 845 . 1 . 1 105 105 GLN CG C 13 33.463 0.03 . 1 . . . . A 85 GLN CG . 36299 1 846 . 1 . 1 105 105 GLN N N 15 118.598 0.03 . 1 . . . . A 85 GLN N . 36299 1 847 . 1 . 1 105 105 GLN NE2 N 15 112.859 0.00 . 1 . . . . A 85 GLN NE2 . 36299 1 848 . 1 . 1 106 106 ASP H H 1 7.609 0.00 . 1 . . . . A 86 ASP H . 36299 1 849 . 1 . 1 106 106 ASP HA H 1 4.341 0.01 . 1 . . . . A 86 ASP HA . 36299 1 850 . 1 . 1 106 106 ASP HB2 H 1 2.596 0.00 . 2 . . . . A 86 ASP HB2 . 36299 1 851 . 1 . 1 106 106 ASP C C 13 176.639 0.00 . 1 . . . . A 86 ASP C . 36299 1 852 . 1 . 1 106 106 ASP CA C 13 56.599 0.02 . 1 . . . . A 86 ASP CA . 36299 1 853 . 1 . 1 106 106 ASP CB C 13 40.346 0.02 . 1 . . . . A 86 ASP CB . 36299 1 854 . 1 . 1 106 106 ASP N N 15 118.018 0.02 . 1 . . . . A 86 ASP N . 36299 1 855 . 1 . 1 107 107 ASN H H 1 8.086 0.00 . 1 . . . . A 87 ASN H . 36299 1 856 . 1 . 1 107 107 ASN HA H 1 4.578 0.00 . 1 . . . . A 87 ASN HA . 36299 1 857 . 1 . 1 107 107 ASN HB2 H 1 2.738 0.00 . 2 . . . . A 87 ASN HB2 . 36299 1 858 . 1 . 1 107 107 ASN HB3 H 1 2.569 0.00 . 2 . . . . A 87 ASN HB3 . 36299 1 859 . 1 . 1 107 107 ASN HD21 H 1 6.376 0.00 . 2 . . . . A 87 ASN HD21 . 36299 1 860 . 1 . 1 107 107 ASN HD22 H 1 7.357 0.00 . 2 . . . . A 87 ASN HD22 . 36299 1 861 . 1 . 1 107 107 ASN C C 13 174.163 0.00 . 1 . . . . A 87 ASN C . 36299 1 862 . 1 . 1 107 107 ASN CA C 13 53.206 0.00 . 1 . . . . A 87 ASN CA . 36299 1 863 . 1 . 1 107 107 ASN CB C 13 37.175 0.04 . 1 . . . . A 87 ASN CB . 36299 1 864 . 1 . 1 107 107 ASN N N 15 111.863 0.03 . 1 . . . . A 87 ASN N . 36299 1 865 . 1 . 1 107 107 ASN ND2 N 15 112.916 0.00 . 1 . . . . A 87 ASN ND2 . 36299 1 866 . 1 . 1 108 108 PHE H H 1 7.387 0.00 . 1 . . . . A 88 PHE H . 36299 1 867 . 1 . 1 108 108 PHE HA H 1 5.203 0.00 . 1 . . . . A 88 PHE HA . 36299 1 868 . 1 . 1 108 108 PHE HB2 H 1 2.964 0.01 . 2 . . . . A 88 PHE HB2 . 36299 1 869 . 1 . 1 108 108 PHE HB3 H 1 3.205 0.01 . 2 . . . . A 88 PHE HB3 . 36299 1 870 . 1 . 1 108 108 PHE HD1 H 1 7.106 0.00 . 3 . . . . A 88 PHE HD1 . 36299 1 871 . 1 . 1 108 108 PHE HE1 H 1 7.106 0.00 . 3 . . . . A 88 PHE HE1 . 36299 1 872 . 1 . 1 108 108 PHE CA C 13 52.689 0.01 . 1 . . . . A 88 PHE CA . 36299 1 873 . 1 . 1 108 108 PHE CB C 13 39.388 0.08 . 1 . . . . A 88 PHE CB . 36299 1 874 . 1 . 1 108 108 PHE CD1 C 13 129.512 0.03 . 1 . . . . A 88 PHE CD1 . 36299 1 875 . 1 . 1 108 108 PHE CE1 C 13 131.005 0.01 . 1 . . . . A 88 PHE CE1 . 36299 1 876 . 1 . 1 108 108 PHE N N 15 119.373 0.03 . 1 . . . . A 88 PHE N . 36299 1 877 . 1 . 1 109 109 HIS H H 1 8.706 0.00 . 1 . . . . A 89 HIS H . 36299 1 878 . 1 . 1 109 109 HIS HA H 1 4.618 0.00 . 1 . . . . A 89 HIS HA . 36299 1 879 . 1 . 1 109 109 HIS HB2 H 1 3.279 0.00 . 2 . . . . A 89 HIS HB2 . 36299 1 880 . 1 . 1 109 109 HIS HB3 H 1 2.975 0.00 . 2 . . . . A 89 HIS HB3 . 36299 1 881 . 1 . 1 109 109 HIS HD2 H 1 7.213 0.00 . 1 . . . . A 89 HIS HD2 . 36299 1 882 . 1 . 1 109 109 HIS CA C 13 55.895 0.00 . 1 . . . . A 89 HIS CA . 36299 1 883 . 1 . 1 109 109 HIS CB C 13 31.165 0.02 . 1 . . . . A 89 HIS CB . 36299 1 884 . 1 . 1 109 109 HIS CD2 C 13 118.917 0.02 . 1 . . . . A 89 HIS CD2 . 36299 1 885 . 1 . 1 109 109 HIS N N 15 122.018 0.02 . 1 . . . . A 89 HIS N . 36299 1 886 . 1 . 1 110 110 PRO HA H 1 4.453 0.00 . 1 . . . . A 90 PRO HA . 36299 1 887 . 1 . 1 110 110 PRO HB3 H 1 2.399 0.00 . 2 . . . . A 90 PRO HB3 . 36299 1 888 . 1 . 1 110 110 PRO HG3 H 1 1.989 0.00 . 2 . . . . A 90 PRO HG3 . 36299 1 889 . 1 . 1 110 110 PRO HD2 H 1 2.705 0.00 . 2 . . . . A 90 PRO HD2 . 36299 1 890 . 1 . 1 110 110 PRO HD3 H 1 3.710 0.00 . 2 . . . . A 90 PRO HD3 . 36299 1 891 . 1 . 1 110 110 PRO CA C 13 66.703 0.00 . 1 . . . . A 90 PRO CA . 36299 1 892 . 1 . 1 110 110 PRO CB C 13 32.332 0.00 . 1 . . . . A 90 PRO CB . 36299 1 893 . 1 . 1 110 110 PRO CG C 13 27.770 0.00 . 1 . . . . A 90 PRO CG . 36299 1 894 . 1 . 1 110 110 PRO CD C 13 50.441 0.05 . 1 . . . . A 90 PRO CD . 36299 1 895 . 1 . 1 111 111 LYS H H 1 10.702 0.00 . 1 . . . . A 91 LYS H . 36299 1 896 . 1 . 1 111 111 LYS HA H 1 4.098 0.00 . 1 . . . . A 91 LYS HA . 36299 1 897 . 1 . 1 111 111 LYS HB2 H 1 1.833 0.00 . 2 . . . . A 91 LYS HB2 . 36299 1 898 . 1 . 1 111 111 LYS HB3 H 1 1.990 0.00 . 2 . . . . A 91 LYS HB3 . 36299 1 899 . 1 . 1 111 111 LYS HG2 H 1 1.610 0.01 . 2 . . . . A 91 LYS HG2 . 36299 1 900 . 1 . 1 111 111 LYS HD2 H 1 1.630 0.00 . 2 . . . . A 91 LYS HD2 . 36299 1 901 . 1 . 1 111 111 LYS CA C 13 59.775 0.07 . 1 . . . . A 91 LYS CA . 36299 1 902 . 1 . 1 111 111 LYS CB C 13 32.008 0.01 . 1 . . . . A 91 LYS CB . 36299 1 903 . 1 . 1 111 111 LYS CG C 13 25.551 0.00 . 1 . . . . A 91 LYS CG . 36299 1 904 . 1 . 1 111 111 LYS CD C 13 29.208 0.00 . 1 . . . . A 91 LYS CD . 36299 1 905 . 1 . 1 111 111 LYS N N 15 119.760 0.02 . 1 . . . . A 91 LYS N . 36299 1 906 . 1 . 1 112 112 ARG H H 1 7.700 0.00 . 1 . . . . A 92 ARG H . 36299 1 907 . 1 . 1 112 112 ARG HA H 1 4.278 0.01 . 1 . . . . A 92 ARG HA . 36299 1 908 . 1 . 1 112 112 ARG HB2 H 1 1.732 0.01 . 2 . . . . A 92 ARG HB2 . 36299 1 909 . 1 . 1 112 112 ARG HB3 H 1 2.045 0.00 . 2 . . . . A 92 ARG HB3 . 36299 1 910 . 1 . 1 112 112 ARG HG2 H 1 1.360 0.01 . 2 . . . . A 92 ARG HG2 . 36299 1 911 . 1 . 1 112 112 ARG HG3 H 1 1.177 0.00 . 2 . . . . A 92 ARG HG3 . 36299 1 912 . 1 . 1 112 112 ARG HD2 H 1 2.912 0.00 . 2 . . . . A 92 ARG HD2 . 36299 1 913 . 1 . 1 112 112 ARG HD3 H 1 2.519 0.00 . 2 . . . . A 92 ARG HD3 . 36299 1 914 . 1 . 1 112 112 ARG HE H 1 8.697 0.00 . 1 . . . . A 92 ARG HE . 36299 1 915 . 1 . 1 112 112 ARG CA C 13 58.187 0.06 . 1 . . . . A 92 ARG CA . 36299 1 916 . 1 . 1 112 112 ARG CB C 13 29.687 0.04 . 1 . . . . A 92 ARG CB . 36299 1 917 . 1 . 1 112 112 ARG CG C 13 26.471 0.04 . 1 . . . . A 92 ARG CG . 36299 1 918 . 1 . 1 112 112 ARG CD C 13 42.978 0.13 . 1 . . . . A 92 ARG CD . 36299 1 919 . 1 . 1 112 112 ARG N N 15 122.563 0.03 . 1 . . . . A 92 ARG N . 36299 1 920 . 1 . 1 112 112 ARG NE N 15 86.125 0.05 . 1 . . . . A 92 ARG NE . 36299 1 921 . 1 . 1 113 113 ASN H H 1 8.158 0.00 . 1 . . . . A 93 ASN H . 36299 1 922 . 1 . 1 113 113 ASN HA H 1 4.666 0.00 . 1 . . . . A 93 ASN HA . 36299 1 923 . 1 . 1 113 113 ASN HB2 H 1 2.998 0.00 . 2 . . . . A 93 ASN HB2 . 36299 1 924 . 1 . 1 113 113 ASN HB3 H 1 2.706 0.00 . 2 . . . . A 93 ASN HB3 . 36299 1 925 . 1 . 1 113 113 ASN HD21 H 1 7.842 0.00 . 2 . . . . A 93 ASN HD21 . 36299 1 926 . 1 . 1 113 113 ASN HD22 H 1 7.610 0.00 . 2 . . . . A 93 ASN HD22 . 36299 1 927 . 1 . 1 113 113 ASN C C 13 172.742 0.00 . 1 . . . . A 93 ASN C . 36299 1 928 . 1 . 1 113 113 ASN CA C 13 56.861 0.02 . 1 . . . . A 93 ASN CA . 36299 1 929 . 1 . 1 113 113 ASN CB C 13 37.846 0.06 . 1 . . . . A 93 ASN CB . 36299 1 930 . 1 . 1 113 113 ASN N N 15 117.597 0.04 . 1 . . . . A 93 ASN N . 36299 1 931 . 1 . 1 113 113 ASN ND2 N 15 118.009 0.01 . 1 . . . . A 93 ASN ND2 . 36299 1 932 . 1 . 1 114 114 GLN H H 1 8.484 0.01 . 1 . . . . A 94 GLN H . 36299 1 933 . 1 . 1 114 114 GLN HA H 1 4.051 0.01 . 1 . . . . A 94 GLN HA . 36299 1 934 . 1 . 1 114 114 GLN HB2 H 1 2.113 0.01 . 2 . . . . A 94 GLN HB2 . 36299 1 935 . 1 . 1 114 114 GLN HG2 H 1 2.341 0.01 . 2 . . . . A 94 GLN HG2 . 36299 1 936 . 1 . 1 114 114 GLN HG3 H 1 2.495 0.00 . 2 . . . . A 94 GLN HG3 . 36299 1 937 . 1 . 1 114 114 GLN HE21 H 1 6.792 0.00 . 2 . . . . A 94 GLN HE21 . 36299 1 938 . 1 . 1 114 114 GLN HE22 H 1 7.425 0.00 . 2 . . . . A 94 GLN HE22 . 36299 1 939 . 1 . 1 114 114 GLN C C 13 177.374 0.00 . 1 . . . . A 94 GLN C . 36299 1 940 . 1 . 1 114 114 GLN CA C 13 59.396 0.07 . 1 . . . . A 94 GLN CA . 36299 1 941 . 1 . 1 114 114 GLN CB C 13 28.410 0.05 . 1 . . . . A 94 GLN CB . 36299 1 942 . 1 . 1 114 114 GLN CG C 13 34.009 0.04 . 1 . . . . A 94 GLN CG . 36299 1 943 . 1 . 1 114 114 GLN N N 15 121.041 0.02 . 1 . . . . A 94 GLN N . 36299 1 944 . 1 . 1 114 114 GLN NE2 N 15 111.267 0.01 . 1 . . . . A 94 GLN NE2 . 36299 1 945 . 1 . 1 115 115 ALA H H 1 8.004 0.00 . 1 . . . . A 95 ALA H . 36299 1 946 . 1 . 1 115 115 ALA HA H 1 4.001 0.01 . 1 . . . . A 95 ALA HA . 36299 1 947 . 1 . 1 115 115 ALA HB1 H 1 1.524 0.01 . 1 . . . . A 95 ALA HB1 . 36299 1 948 . 1 . 1 115 115 ALA HB2 H 1 1.524 0.01 . 1 . . . . A 95 ALA HB2 . 36299 1 949 . 1 . 1 115 115 ALA HB3 H 1 1.524 0.01 . 1 . . . . A 95 ALA HB3 . 36299 1 950 . 1 . 1 115 115 ALA CA C 13 55.376 0.04 . 1 . . . . A 95 ALA CA . 36299 1 951 . 1 . 1 115 115 ALA CB C 13 18.301 0.07 . 1 . . . . A 95 ALA CB . 36299 1 952 . 1 . 1 115 115 ALA N N 15 123.547 0.02 . 1 . . . . A 95 ALA N . 36299 1 953 . 1 . 1 116 116 ARG H H 1 8.444 0.00 . 1 . . . . A 96 ARG H . 36299 1 954 . 1 . 1 116 116 ARG HA H 1 3.768 0.00 . 1 . . . . A 96 ARG HA . 36299 1 955 . 1 . 1 116 116 ARG HB2 H 1 1.680 0.00 . 2 . . . . A 96 ARG HB2 . 36299 1 956 . 1 . 1 116 116 ARG HB3 H 1 1.249 0.00 . 2 . . . . A 96 ARG HB3 . 36299 1 957 . 1 . 1 116 116 ARG HG2 H 1 1.900 0.00 . 2 . . . . A 96 ARG HG2 . 36299 1 958 . 1 . 1 116 116 ARG HG3 H 1 2.102 0.00 . 2 . . . . A 96 ARG HG3 . 36299 1 959 . 1 . 1 116 116 ARG HD2 H 1 2.589 0.00 . 2 . . . . A 96 ARG HD2 . 36299 1 960 . 1 . 1 116 116 ARG HD3 H 1 3.262 0.00 . 2 . . . . A 96 ARG HD3 . 36299 1 961 . 1 . 1 116 116 ARG HE H 1 8.323 0.00 . 1 . . . . A 96 ARG HE . 36299 1 962 . 1 . 1 116 116 ARG CA C 13 60.144 0.03 . 1 . . . . A 96 ARG CA . 36299 1 963 . 1 . 1 116 116 ARG CB C 13 30.171 0.02 . 1 . . . . A 96 ARG CB . 36299 1 964 . 1 . 1 116 116 ARG CG C 13 30.811 0.11 . 1 . . . . A 96 ARG CG . 36299 1 965 . 1 . 1 116 116 ARG CD C 13 44.413 0.02 . 1 . . . . A 96 ARG CD . 36299 1 966 . 1 . 1 116 116 ARG N N 15 118.246 0.04 . 1 . . . . A 96 ARG N . 36299 1 967 . 1 . 1 116 116 ARG NE N 15 82.319 0.06 . 1 . . . . A 96 ARG NE . 36299 1 968 . 1 . 1 117 117 GLN H H 1 8.057 0.00 . 1 . . . . A 97 GLN H . 36299 1 969 . 1 . 1 117 117 GLN HA H 1 4.026 0.02 . 1 . . . . A 97 GLN HA . 36299 1 970 . 1 . 1 117 117 GLN HB2 H 1 2.159 0.01 . 2 . . . . A 97 GLN HB2 . 36299 1 971 . 1 . 1 117 117 GLN HG3 H 1 1.754 0.01 . 2 . . . . A 97 GLN HG3 . 36299 1 972 . 1 . 1 117 117 GLN HE21 H 1 6.113 0.00 . 2 . . . . A 97 GLN HE21 . 36299 1 973 . 1 . 1 117 117 GLN HE22 H 1 6.273 0.00 . 2 . . . . A 97 GLN HE22 . 36299 1 974 . 1 . 1 117 117 GLN C C 13 176.234 0.00 . 1 . . . . A 97 GLN C . 36299 1 975 . 1 . 1 117 117 GLN CA C 13 59.794 0.11 . 1 . . . . A 97 GLN CA . 36299 1 976 . 1 . 1 117 117 GLN CB C 13 27.122 0.06 . 1 . . . . A 97 GLN CB . 36299 1 977 . 1 . 1 117 117 GLN CG C 13 32.687 0.02 . 1 . . . . A 97 GLN CG . 36299 1 978 . 1 . 1 117 117 GLN N N 15 120.745 0.03 . 1 . . . . A 97 GLN N . 36299 1 979 . 1 . 1 117 117 GLN NE2 N 15 109.584 0.00 . 1 . . . . A 97 GLN NE2 . 36299 1 980 . 1 . 1 118 118 LYS H H 1 8.052 0.00 . 1 . . . . A 98 LYS H . 36299 1 981 . 1 . 1 118 118 LYS HA H 1 4.023 0.01 . 1 . . . . A 98 LYS HA . 36299 1 982 . 1 . 1 118 118 LYS HB2 H 1 1.863 0.01 . 2 . . . . A 98 LYS HB2 . 36299 1 983 . 1 . 1 118 118 LYS HG3 H 1 1.537 0.00 . 2 . . . . A 98 LYS HG3 . 36299 1 984 . 1 . 1 118 118 LYS HD3 H 1 1.608 0.00 . 2 . . . . A 98 LYS HD3 . 36299 1 985 . 1 . 1 118 118 LYS HE2 H 1 2.912 0.00 . 2 . . . . A 98 LYS HE2 . 36299 1 986 . 1 . 1 118 118 LYS CA C 13 58.527 0.08 . 1 . . . . A 98 LYS CA . 36299 1 987 . 1 . 1 118 118 LYS CB C 13 32.149 0.05 . 1 . . . . A 98 LYS CB . 36299 1 988 . 1 . 1 118 118 LYS CG C 13 25.542 0.00 . 1 . . . . A 98 LYS CG . 36299 1 989 . 1 . 1 118 118 LYS CD C 13 29.093 0.00 . 1 . . . . A 98 LYS CD . 36299 1 990 . 1 . 1 118 118 LYS CE C 13 41.974 0.00 . 1 . . . . A 98 LYS CE . 36299 1 991 . 1 . 1 118 118 LYS N N 15 118.814 0.01 . 1 . . . . A 98 LYS N . 36299 1 992 . 1 . 1 119 119 LEU H H 1 7.497 0.00 . 1 . . . . A 99 LEU H . 36299 1 993 . 1 . 1 119 119 LEU HA H 1 4.094 0.01 . 1 . . . . A 99 LEU HA . 36299 1 994 . 1 . 1 119 119 LEU HB2 H 1 1.337 0.00 . 2 . . . . A 99 LEU HB2 . 36299 1 995 . 1 . 1 119 119 LEU HB3 H 1 2.001 0.00 . 2 . . . . A 99 LEU HB3 . 36299 1 996 . 1 . 1 119 119 LEU HG H 1 2.097 0.00 . 1 . . . . A 99 LEU HG . 36299 1 997 . 1 . 1 119 119 LEU HD11 H 1 0.879 0.01 . 2 . . . . A 99 LEU HD11 . 36299 1 998 . 1 . 1 119 119 LEU HD12 H 1 0.879 0.01 . 2 . . . . A 99 LEU HD12 . 36299 1 999 . 1 . 1 119 119 LEU HD13 H 1 0.879 0.01 . 2 . . . . A 99 LEU HD13 . 36299 1 1000 . 1 . 1 119 119 LEU HD21 H 1 0.908 0.01 . 2 . . . . A 99 LEU HD21 . 36299 1 1001 . 1 . 1 119 119 LEU HD22 H 1 0.908 0.01 . 2 . . . . A 99 LEU HD22 . 36299 1 1002 . 1 . 1 119 119 LEU HD23 H 1 0.908 0.01 . 2 . . . . A 99 LEU HD23 . 36299 1 1003 . 1 . 1 119 119 LEU CA C 13 58.057 0.02 . 1 . . . . A 99 LEU CA . 36299 1 1004 . 1 . 1 119 119 LEU CB C 13 42.386 0.04 . 1 . . . . A 99 LEU CB . 36299 1 1005 . 1 . 1 119 119 LEU CG C 13 26.312 0.00 . 1 . . . . A 99 LEU CG . 36299 1 1006 . 1 . 1 119 119 LEU CD1 C 13 23.479 0.06 . 1 . . . . A 99 LEU CD1 . 36299 1 1007 . 1 . 1 119 119 LEU CD2 C 13 27.345 0.04 . 1 . . . . A 99 LEU CD2 . 36299 1 1008 . 1 . 1 119 119 LEU N N 15 119.872 0.03 . 1 . . . . A 99 LEU N . 36299 1 1009 . 1 . 1 120 120 SER H H 1 7.431 0.00 . 1 . . . . A 100 SER H . 36299 1 1010 . 1 . 1 120 120 SER HA H 1 4.312 0.00 . 1 . . . . A 100 SER HA . 36299 1 1011 . 1 . 1 120 120 SER HB2 H 1 4.153 0.01 . 2 . . . . A 100 SER HB2 . 36299 1 1012 . 1 . 1 120 120 SER HB3 H 1 4.593 0.00 . 2 . . . . A 100 SER HB3 . 36299 1 1013 . 1 . 1 120 120 SER CA C 13 60.853 0.09 . 1 . . . . A 100 SER CA . 36299 1 1014 . 1 . 1 120 120 SER CB C 13 63.735 0.10 . 1 . . . . A 100 SER CB . 36299 1 1015 . 1 . 1 120 120 SER N N 15 112.180 0.06 . 1 . . . . A 100 SER N . 36299 1 1016 . 1 . 1 121 121 SER H H 1 7.637 0.00 . 1 . . . . A 101 SER H . 36299 1 1017 . 1 . 1 121 121 SER HA H 1 4.375 0.00 . 1 . . . . A 101 SER HA . 36299 1 1018 . 1 . 1 121 121 SER HB2 H 1 3.980 0.00 . 2 . . . . A 101 SER HB2 . 36299 1 1019 . 1 . 1 121 121 SER CA C 13 59.229 0.03 . 1 . . . . A 101 SER CA . 36299 1 1020 . 1 . 1 121 121 SER CB C 13 64.317 0.01 . 1 . . . . A 101 SER CB . 36299 1 1021 . 1 . 1 121 121 SER N N 15 115.841 0.03 . 1 . . . . A 101 SER N . 36299 1 1022 . 1 . 1 122 122 LEU H H 1 7.262 0.00 . 1 . . . . A 102 LEU H . 36299 1 1023 . 1 . 1 122 122 LEU HA H 1 4.339 0.00 . 1 . . . . A 102 LEU HA . 36299 1 1024 . 1 . 1 122 122 LEU HB2 H 1 1.397 0.00 . 2 . . . . A 102 LEU HB2 . 36299 1 1025 . 1 . 1 122 122 LEU HB3 H 1 2.071 0.00 . 2 . . . . A 102 LEU HB3 . 36299 1 1026 . 1 . 1 122 122 LEU HG H 1 1.887 0.00 . 1 . . . . A 102 LEU HG . 36299 1 1027 . 1 . 1 122 122 LEU HD11 H 1 0.877 0.01 . 2 . . . . A 102 LEU HD11 . 36299 1 1028 . 1 . 1 122 122 LEU HD12 H 1 0.877 0.01 . 2 . . . . A 102 LEU HD12 . 36299 1 1029 . 1 . 1 122 122 LEU HD13 H 1 0.877 0.01 . 2 . . . . A 102 LEU HD13 . 36299 1 1030 . 1 . 1 122 122 LEU HD21 H 1 1.064 0.01 . 2 . . . . A 102 LEU HD21 . 36299 1 1031 . 1 . 1 122 122 LEU HD22 H 1 1.064 0.01 . 2 . . . . A 102 LEU HD22 . 36299 1 1032 . 1 . 1 122 122 LEU HD23 H 1 1.064 0.01 . 2 . . . . A 102 LEU HD23 . 36299 1 1033 . 1 . 1 122 122 LEU CA C 13 54.908 0.00 . 1 . . . . A 102 LEU CA . 36299 1 1034 . 1 . 1 122 122 LEU CB C 13 42.194 0.03 . 1 . . . . A 102 LEU CB . 36299 1 1035 . 1 . 1 122 122 LEU CG C 13 27.096 0.01 . 1 . . . . A 102 LEU CG . 36299 1 1036 . 1 . 1 122 122 LEU CD1 C 13 23.054 0.09 . 1 . . . . A 102 LEU CD1 . 36299 1 1037 . 1 . 1 122 122 LEU CD2 C 13 26.640 0.09 . 1 . . . . A 102 LEU CD2 . 36299 1 1038 . 1 . 1 122 122 LEU N N 15 121.983 0.02 . 1 . . . . A 102 LEU N . 36299 1 1039 . 1 . 1 124 124 PRO HA H 1 4.447 0.00 . 1 . . . . A 104 PRO HA . 36299 1 1040 . 1 . 1 124 124 PRO CA C 13 67.880 0.03 . 1 . . . . A 104 PRO CA . 36299 1 1041 . 1 . 1 125 125 PRO HA H 1 4.400 0.01 . 1 . . . . A 105 PRO HA . 36299 1 1042 . 1 . 1 125 125 PRO HB2 H 1 2.362 0.00 . 2 . . . . A 105 PRO HB2 . 36299 1 1043 . 1 . 1 125 125 PRO HG2 H 1 2.096 0.00 . 2 . . . . A 105 PRO HG2 . 36299 1 1044 . 1 . 1 125 125 PRO HD2 H 1 3.771 0.00 . 2 . . . . A 105 PRO HD2 . 36299 1 1045 . 1 . 1 125 125 PRO HD3 H 1 3.610 0.00 . 2 . . . . A 105 PRO HD3 . 36299 1 1046 . 1 . 1 125 125 PRO CA C 13 66.417 0.07 . 1 . . . . A 105 PRO CA . 36299 1 1047 . 1 . 1 125 125 PRO CB C 13 31.088 0.00 . 1 . . . . A 105 PRO CB . 36299 1 1048 . 1 . 1 125 125 PRO CG C 13 28.369 0.00 . 1 . . . . A 105 PRO CG . 36299 1 1049 . 1 . 1 125 125 PRO CD C 13 49.997 0.02 . 1 . . . . A 105 PRO CD . 36299 1 1050 . 1 . 1 126 126 ARG H H 1 7.107 0.00 . 1 . . . . A 106 ARG H . 36299 1 1051 . 1 . 1 126 126 ARG HA H 1 4.330 0.02 . 1 . . . . A 106 ARG HA . 36299 1 1052 . 1 . 1 126 126 ARG HB2 H 1 1.958 0.01 . 2 . . . . A 106 ARG HB2 . 36299 1 1053 . 1 . 1 126 126 ARG HG2 H 1 1.829 0.00 . 2 . . . . A 106 ARG HG2 . 36299 1 1054 . 1 . 1 126 126 ARG HD3 H 1 3.329 0.00 . 2 . . . . A 106 ARG HD3 . 36299 1 1055 . 1 . 1 126 126 ARG CA C 13 58.070 0.02 . 1 . . . . A 106 ARG CA . 36299 1 1056 . 1 . 1 126 126 ARG CB C 13 30.838 0.04 . 1 . . . . A 106 ARG CB . 36299 1 1057 . 1 . 1 126 126 ARG CG C 13 27.365 0.01 . 1 . . . . A 106 ARG CG . 36299 1 1058 . 1 . 1 126 126 ARG CD C 13 43.080 0.00 . 1 . . . . A 106 ARG CD . 36299 1 1059 . 1 . 1 126 126 ARG N N 15 116.918 0.04 . 1 . . . . A 106 ARG N . 36299 1 1060 . 1 . 1 127 127 PHE H H 1 9.076 0.00 . 1 . . . . A 107 PHE H . 36299 1 1061 . 1 . 1 127 127 PHE HA H 1 4.132 0.00 . 1 . . . . A 107 PHE HA . 36299 1 1062 . 1 . 1 127 127 PHE HB3 H 1 2.949 0.00 . 2 . . . . A 107 PHE HB3 . 36299 1 1063 . 1 . 1 127 127 PHE HD1 H 1 7.208 0.00 . 3 . . . . A 107 PHE HD1 . 36299 1 1064 . 1 . 1 127 127 PHE HE1 H 1 6.823 0.00 . 3 . . . . A 107 PHE HE1 . 36299 1 1065 . 1 . 1 127 127 PHE HZ H 1 7.172 0.01 . 1 . . . . A 107 PHE HZ . 36299 1 1066 . 1 . 1 127 127 PHE CA C 13 62.498 0.03 . 1 . . . . A 107 PHE CA . 36299 1 1067 . 1 . 1 127 127 PHE CB C 13 39.213 0.02 . 1 . . . . A 107 PHE CB . 36299 1 1068 . 1 . 1 127 127 PHE CD1 C 13 131.526 0.04 . 1 . . . . A 107 PHE CD1 . 36299 1 1069 . 1 . 1 127 127 PHE CE1 C 13 130.298 0.07 . 1 . . . . A 107 PHE CE1 . 36299 1 1070 . 1 . 1 127 127 PHE CZ C 13 128.777 0.02 . 1 . . . . A 107 PHE CZ . 36299 1 1071 . 1 . 1 127 127 PHE N N 15 122.763 0.02 . 1 . . . . A 107 PHE N . 36299 1 1072 . 1 . 1 128 128 ARG H H 1 8.549 0.01 . 1 . . . . A 108 ARG H . 36299 1 1073 . 1 . 1 128 128 ARG HA H 1 3.893 0.01 . 1 . . . . A 108 ARG HA . 36299 1 1074 . 1 . 1 128 128 ARG HB2 H 1 1.829 0.00 . 2 . . . . A 108 ARG HB2 . 36299 1 1075 . 1 . 1 128 128 ARG HB3 H 1 2.008 0.00 . 2 . . . . A 108 ARG HB3 . 36299 1 1076 . 1 . 1 128 128 ARG HG3 H 1 1.388 0.00 . 2 . . . . A 108 ARG HG3 . 36299 1 1077 . 1 . 1 128 128 ARG CA C 13 60.340 0.02 . 1 . . . . A 108 ARG CA . 36299 1 1078 . 1 . 1 128 128 ARG CB C 13 29.302 0.06 . 1 . . . . A 108 ARG CB . 36299 1 1079 . 1 . 1 128 128 ARG CG C 13 29.003 0.00 . 1 . . . . A 108 ARG CG . 36299 1 1080 . 1 . 1 128 128 ARG N N 15 119.563 0.02 . 1 . . . . A 108 ARG N . 36299 1 1081 . 1 . 1 129 129 ASP H H 1 7.800 0.01 . 1 . . . . A 109 ASP H . 36299 1 1082 . 1 . 1 129 129 ASP HA H 1 4.363 0.01 . 1 . . . . A 109 ASP HA . 36299 1 1083 . 1 . 1 129 129 ASP HB3 H 1 2.798 0.00 . 2 . . . . A 109 ASP HB3 . 36299 1 1084 . 1 . 1 129 129 ASP CA C 13 57.928 0.04 . 1 . . . . A 109 ASP CA . 36299 1 1085 . 1 . 1 129 129 ASP CB C 13 40.669 0.02 . 1 . . . . A 109 ASP CB . 36299 1 1086 . 1 . 1 129 129 ASP N N 15 121.297 0.01 . 1 . . . . A 109 ASP N . 36299 1 1087 . 1 . 1 130 130 LEU H H 1 7.372 0.00 . 1 . . . . A 110 LEU H . 36299 1 1088 . 1 . 1 130 130 LEU HA H 1 4.293 0.00 . 1 . . . . A 110 LEU HA . 36299 1 1089 . 1 . 1 130 130 LEU HB2 H 1 1.506 0.00 . 2 . . . . A 110 LEU HB2 . 36299 1 1090 . 1 . 1 130 130 LEU HB3 H 1 1.764 0.00 . 2 . . . . A 110 LEU HB3 . 36299 1 1091 . 1 . 1 130 130 LEU HG H 1 1.298 0.00 . 1 . . . . A 110 LEU HG . 36299 1 1092 . 1 . 1 130 130 LEU HD11 H 1 0.948 0.01 . 2 . . . . A 110 LEU HD11 . 36299 1 1093 . 1 . 1 130 130 LEU HD12 H 1 0.948 0.01 . 2 . . . . A 110 LEU HD12 . 36299 1 1094 . 1 . 1 130 130 LEU HD13 H 1 0.948 0.01 . 2 . . . . A 110 LEU HD13 . 36299 1 1095 . 1 . 1 130 130 LEU HD21 H 1 0.815 0.01 . 2 . . . . A 110 LEU HD21 . 36299 1 1096 . 1 . 1 130 130 LEU HD22 H 1 0.815 0.01 . 2 . . . . A 110 LEU HD22 . 36299 1 1097 . 1 . 1 130 130 LEU HD23 H 1 0.815 0.01 . 2 . . . . A 110 LEU HD23 . 36299 1 1098 . 1 . 1 130 130 LEU CA C 13 57.978 0.04 . 1 . . . . A 110 LEU CA . 36299 1 1099 . 1 . 1 130 130 LEU CB C 13 41.225 0.03 . 1 . . . . A 110 LEU CB . 36299 1 1100 . 1 . 1 130 130 LEU CG C 13 27.342 0.04 . 1 . . . . A 110 LEU CG . 36299 1 1101 . 1 . 1 130 130 LEU CD1 C 13 22.335 0.11 . 21 . . . . A 110 LEU CD1 . 36299 1 1102 . 1 . 1 130 130 LEU CD2 C 13 27.420 0.06 . 2 . . . . A 110 LEU CD2 . 36299 1 1103 . 1 . 1 130 130 LEU N N 15 122.627 0.04 . 1 . . . . A 110 LEU N . 36299 1 1104 . 1 . 1 131 131 ALA H H 1 8.644 0.00 . 1 . . . . A 111 ALA H . 36299 1 1105 . 1 . 1 131 131 ALA HA H 1 3.664 0.01 . 1 . . . . A 111 ALA HA . 36299 1 1106 . 1 . 1 131 131 ALA HB1 H 1 1.173 0.01 . 1 . . . . A 111 ALA HB1 . 36299 1 1107 . 1 . 1 131 131 ALA HB2 H 1 1.173 0.01 . 1 . . . . A 111 ALA HB2 . 36299 1 1108 . 1 . 1 131 131 ALA HB3 H 1 1.173 0.01 . 1 . . . . A 111 ALA HB3 . 36299 1 1109 . 1 . 1 131 131 ALA CA C 13 55.358 0.04 . 1 . . . . A 111 ALA CA . 36299 1 1110 . 1 . 1 131 131 ALA CB C 13 17.557 0.07 . 1 . . . . A 111 ALA CB . 36299 1 1111 . 1 . 1 131 131 ALA N N 15 120.197 0.03 . 1 . . . . A 111 ALA N . 36299 1 1112 . 1 . 1 132 132 THR H H 1 8.440 0.00 . 1 . . . . A 112 THR H . 36299 1 1113 . 1 . 1 132 132 THR HA H 1 3.944 0.01 . 1 . . . . A 112 THR HA . 36299 1 1114 . 1 . 1 132 132 THR HB H 1 4.568 0.00 . 1 . . . . A 112 THR HB . 36299 1 1115 . 1 . 1 132 132 THR HG21 H 1 1.305 0.00 . 1 . . . . A 112 THR HG21 . 36299 1 1116 . 1 . 1 132 132 THR HG22 H 1 1.305 0.00 . 1 . . . . A 112 THR HG22 . 36299 1 1117 . 1 . 1 132 132 THR HG23 H 1 1.305 0.00 . 1 . . . . A 112 THR HG23 . 36299 1 1118 . 1 . 1 132 132 THR CA C 13 67.725 0.06 . 1 . . . . A 112 THR CA . 36299 1 1119 . 1 . 1 132 132 THR CB C 13 68.776 0.00 . 1 . . . . A 112 THR CB . 36299 1 1120 . 1 . 1 132 132 THR CG2 C 13 21.814 0.03 . 1 . . . . A 112 THR CG2 . 36299 1 1121 . 1 . 1 132 132 THR N N 15 114.793 0.01 . 1 . . . . A 112 THR N . 36299 1 1122 . 1 . 1 133 133 ASP H H 1 8.125 0.00 . 1 . . . . A 113 ASP H . 36299 1 1123 . 1 . 1 133 133 ASP HA H 1 4.409 0.00 . 1 . . . . A 113 ASP HA . 36299 1 1124 . 1 . 1 133 133 ASP HB2 H 1 3.124 0.00 . 2 . . . . A 113 ASP HB2 . 36299 1 1125 . 1 . 1 133 133 ASP HB3 H 1 2.563 0.00 . 2 . . . . A 113 ASP HB3 . 36299 1 1126 . 1 . 1 133 133 ASP C C 13 175.767 0.00 . 1 . . . . A 113 ASP C . 36299 1 1127 . 1 . 1 133 133 ASP CA C 13 58.314 0.04 . 1 . . . . A 113 ASP CA . 36299 1 1128 . 1 . 1 133 133 ASP CB C 13 39.902 0.02 . 1 . . . . A 113 ASP CB . 36299 1 1129 . 1 . 1 133 133 ASP N N 15 124.414 0.03 . 1 . . . . A 113 ASP N . 36299 1 1130 . 1 . 1 134 134 VAL H H 1 8.494 0.00 . 1 . . . . A 114 VAL H . 36299 1 1131 . 1 . 1 134 134 VAL HA H 1 3.626 0.00 . 1 . . . . A 114 VAL HA . 36299 1 1132 . 1 . 1 134 134 VAL HB H 1 2.162 0.00 . 1 . . . . A 114 VAL HB . 36299 1 1133 . 1 . 1 134 134 VAL HG11 H 1 1.042 0.01 . 2 . . . . A 114 VAL HG11 . 36299 1 1134 . 1 . 1 134 134 VAL HG12 H 1 1.042 0.01 . 2 . . . . A 114 VAL HG12 . 36299 1 1135 . 1 . 1 134 134 VAL HG13 H 1 1.042 0.01 . 2 . . . . A 114 VAL HG13 . 36299 1 1136 . 1 . 1 134 134 VAL HG21 H 1 1.012 0.01 . 2 . . . . A 114 VAL HG21 . 36299 1 1137 . 1 . 1 134 134 VAL HG22 H 1 1.012 0.01 . 2 . . . . A 114 VAL HG22 . 36299 1 1138 . 1 . 1 134 134 VAL HG23 H 1 1.012 0.01 . 2 . . . . A 114 VAL HG23 . 36299 1 1139 . 1 . 1 134 134 VAL CA C 13 68.065 0.05 . 1 . . . . A 114 VAL CA . 36299 1 1140 . 1 . 1 134 134 VAL CB C 13 31.687 0.01 . 1 . . . . A 114 VAL CB . 36299 1 1141 . 1 . 1 134 134 VAL CG1 C 13 22.100 0.07 . 2 . . . . A 114 VAL CG1 . 36299 1 1142 . 1 . 1 134 134 VAL CG2 C 13 23.676 0.04 . 2 . . . . A 114 VAL CG2 . 36299 1 1143 . 1 . 1 134 134 VAL N N 15 121.099 0.04 . 1 . . . . A 114 VAL N . 36299 1 1144 . 1 . 1 135 135 PHE H H 1 8.990 0.00 . 1 . . . . A 115 PHE H . 36299 1 1145 . 1 . 1 135 135 PHE HA H 1 4.270 0.00 . 1 . . . . A 115 PHE HA . 36299 1 1146 . 1 . 1 135 135 PHE HB2 H 1 3.198 0.01 . 2 . . . . A 115 PHE HB2 . 36299 1 1147 . 1 . 1 135 135 PHE HB3 H 1 3.408 0.00 . 2 . . . . A 115 PHE HB3 . 36299 1 1148 . 1 . 1 135 135 PHE HD1 H 1 7.045 0.00 . 3 . . . . A 115 PHE HD1 . 36299 1 1149 . 1 . 1 135 135 PHE HE1 H 1 6.717 0.00 . 3 . . . . A 115 PHE HE1 . 36299 1 1150 . 1 . 1 135 135 PHE CA C 13 62.509 0.03 . 1 . . . . A 115 PHE CA . 36299 1 1151 . 1 . 1 135 135 PHE CB C 13 40.444 0.04 . 1 . . . . A 115 PHE CB . 36299 1 1152 . 1 . 1 135 135 PHE CD1 C 13 131.277 0.10 . 1 . . . . A 115 PHE CD1 . 36299 1 1153 . 1 . 1 135 135 PHE CE1 C 13 131.566 0.00 . 1 . . . . A 115 PHE CE1 . 36299 1 1154 . 1 . 1 135 135 PHE N N 15 121.852 0.03 . 1 . . . . A 115 PHE N . 36299 1 1155 . 1 . 1 136 136 CYS H H 1 8.830 0.00 . 1 . . . . A 116 CYS H . 36299 1 1156 . 1 . 1 136 136 CYS HA H 1 3.995 0.00 . 1 . . . . A 116 CYS HA . 36299 1 1157 . 1 . 1 136 136 CYS HB2 H 1 2.974 0.00 . 2 . . . . A 116 CYS HB2 . 36299 1 1158 . 1 . 1 136 136 CYS HB3 H 1 3.126 0.00 . 2 . . . . A 116 CYS HB3 . 36299 1 1159 . 1 . 1 136 136 CYS CA C 13 63.647 0.10 . 1 . . . . A 116 CYS CA . 36299 1 1160 . 1 . 1 136 136 CYS CB C 13 27.046 0.02 . 1 . . . . A 116 CYS CB . 36299 1 1161 . 1 . 1 136 136 CYS N N 15 115.483 0.05 . 1 . . . . A 116 CYS N . 36299 1 1162 . 1 . 1 137 137 GLU H H 1 8.044 0.00 . 1 . . . . A 117 GLU H . 36299 1 1163 . 1 . 1 137 137 GLU HA H 1 4.487 0.00 . 1 . . . . A 117 GLU HA . 36299 1 1164 . 1 . 1 137 137 GLU HB3 H 1 1.996 0.00 . 2 . . . . A 117 GLU HB3 . 36299 1 1165 . 1 . 1 137 137 GLU HG3 H 1 1.741 0.01 . 2 . . . . A 117 GLU HG3 . 36299 1 1166 . 1 . 1 137 137 GLU C C 13 178.375 0.00 . 1 . . . . A 117 GLU C . 36299 1 1167 . 1 . 1 137 137 GLU CA C 13 57.695 0.05 . 1 . . . . A 117 GLU CA . 36299 1 1168 . 1 . 1 137 137 GLU CB C 13 28.700 0.02 . 1 . . . . A 117 GLU CB . 36299 1 1169 . 1 . 1 137 137 GLU CG C 13 35.100 0.07 . 1 . . . . A 117 GLU CG . 36299 1 1170 . 1 . 1 137 137 GLU N N 15 122.790 0.02 . 1 . . . . A 117 GLU N . 36299 1 1171 . 1 . 1 138 138 LEU H H 1 9.143 0.00 . 1 . . . . A 118 LEU H . 36299 1 1172 . 1 . 1 138 138 LEU HA H 1 4.132 0.01 . 1 . . . . A 118 LEU HA . 36299 1 1173 . 1 . 1 138 138 LEU HB2 H 1 1.693 0.01 . 2 . . . . A 118 LEU HB2 . 36299 1 1174 . 1 . 1 138 138 LEU HB3 H 1 2.697 0.02 . 2 . . . . A 118 LEU HB3 . 36299 1 1175 . 1 . 1 138 138 LEU HG H 1 2.278 0.00 . 1 . . . . A 118 LEU HG . 36299 1 1176 . 1 . 1 138 138 LEU HD11 H 1 1.440 0.01 . 2 . . . . A 118 LEU HD11 . 36299 1 1177 . 1 . 1 138 138 LEU HD12 H 1 1.440 0.01 . 2 . . . . A 118 LEU HD12 . 36299 1 1178 . 1 . 1 138 138 LEU HD13 H 1 1.440 0.01 . 2 . . . . A 118 LEU HD13 . 36299 1 1179 . 1 . 1 138 138 LEU HD21 H 1 1.251 0.00 . 2 . . . . A 118 LEU HD21 . 36299 1 1180 . 1 . 1 138 138 LEU HD22 H 1 1.251 0.00 . 2 . . . . A 118 LEU HD22 . 36299 1 1181 . 1 . 1 138 138 LEU HD23 H 1 1.251 0.00 . 2 . . . . A 118 LEU HD23 . 36299 1 1182 . 1 . 1 138 138 LEU CA C 13 59.269 0.03 . 1 . . . . A 118 LEU CA . 36299 1 1183 . 1 . 1 138 138 LEU CB C 13 43.517 0.05 . 1 . . . . A 118 LEU CB . 36299 1 1184 . 1 . 1 138 138 LEU CG C 13 28.286 0.00 . 1 . . . . A 118 LEU CG . 36299 1 1185 . 1 . 1 138 138 LEU CD1 C 13 26.795 0.07 . 2 . . . . A 118 LEU CD1 . 36299 1 1186 . 1 . 1 138 138 LEU CD2 C 13 27.225 0.07 . 2 . . . . A 118 LEU CD2 . 36299 1 1187 . 1 . 1 138 138 LEU N N 15 123.066 0.02 . 1 . . . . A 118 LEU N . 36299 1 1188 . 1 . 1 139 139 GLU H H 1 7.512 0.00 . 1 . . . . A 119 GLU H . 36299 1 1189 . 1 . 1 139 139 GLU HA H 1 3.642 0.00 . 1 . . . . A 119 GLU HA . 36299 1 1190 . 1 . 1 139 139 GLU HB2 H 1 1.889 0.00 . 2 . . . . A 119 GLU HB2 . 36299 1 1191 . 1 . 1 139 139 GLU HG2 H 1 2.097 0.01 . 2 . . . . A 119 GLU HG2 . 36299 1 1192 . 1 . 1 139 139 GLU C C 13 179.852 0.00 . 1 . . . . A 119 GLU C . 36299 1 1193 . 1 . 1 139 139 GLU CA C 13 58.859 0.02 . 1 . . . . A 119 GLU CA . 36299 1 1194 . 1 . 1 139 139 GLU CB C 13 30.597 0.01 . 1 . . . . A 119 GLU CB . 36299 1 1195 . 1 . 1 139 139 GLU CG C 13 39.059 0.04 . 1 . . . . A 119 GLU CG . 36299 1 1196 . 1 . 1 139 139 GLU N N 15 115.270 0.02 . 1 . . . . A 119 GLU N . 36299 1 1197 . 1 . 1 140 140 ARG H H 1 7.625 0.00 . 1 . . . . A 120 ARG H . 36299 1 1198 . 1 . 1 140 140 ARG HA H 1 3.728 0.01 . 1 . . . . A 120 ARG HA . 36299 1 1199 . 1 . 1 140 140 ARG HB2 H 1 1.730 0.00 . 2 . . . . A 120 ARG HB2 . 36299 1 1200 . 1 . 1 140 140 ARG HG2 H 1 1.293 0.00 . 2 . . . . A 120 ARG HG2 . 36299 1 1201 . 1 . 1 140 140 ARG HG3 H 1 1.513 0.00 . 2 . . . . A 120 ARG HG3 . 36299 1 1202 . 1 . 1 140 140 ARG HD2 H 1 2.894 0.00 . 2 . . . . A 120 ARG HD2 . 36299 1 1203 . 1 . 1 140 140 ARG HE H 1 8.594 0.00 . 1 . . . . A 120 ARG HE . 36299 1 1204 . 1 . 1 140 140 ARG CA C 13 58.869 0.01 . 1 . . . . A 120 ARG CA . 36299 1 1205 . 1 . 1 140 140 ARG CB C 13 30.755 0.02 . 1 . . . . A 120 ARG CB . 36299 1 1206 . 1 . 1 140 140 ARG CG C 13 27.326 0.05 . 1 . . . . A 120 ARG CG . 36299 1 1207 . 1 . 1 140 140 ARG CD C 13 42.435 0.00 . 1 . . . . A 120 ARG CD . 36299 1 1208 . 1 . 1 140 140 ARG N N 15 118.228 0.02 . 1 . . . . A 120 ARG N . 36299 1 1209 . 1 . 1 140 140 ARG NE N 15 82.915 0.06 . 1 . . . . A 120 ARG NE . 36299 1 1210 . 1 . 1 141 141 ARG H H 1 7.967 0.01 . 1 . . . . A 121 ARG H . 36299 1 1211 . 1 . 1 141 141 ARG HA H 1 3.482 0.00 . 1 . . . . A 121 ARG HA . 36299 1 1212 . 1 . 1 141 141 ARG HB2 H 1 1.292 0.00 . 2 . . . . A 121 ARG HB2 . 36299 1 1213 . 1 . 1 141 141 ARG HB3 H 1 0.962 0.01 . 2 . . . . A 121 ARG HB3 . 36299 1 1214 . 1 . 1 141 141 ARG HG2 H 1 1.045 0.00 . 2 . . . . A 121 ARG HG2 . 36299 1 1215 . 1 . 1 141 141 ARG HG3 H 1 1.352 0.01 . 2 . . . . A 121 ARG HG3 . 36299 1 1216 . 1 . 1 141 141 ARG HD2 H 1 2.065 0.00 . 2 . . . . A 121 ARG HD2 . 36299 1 1217 . 1 . 1 141 141 ARG HE H 1 8.728 0.00 . 1 . . . . A 121 ARG HE . 36299 1 1218 . 1 . 1 141 141 ARG CA C 13 58.897 0.02 . 1 . . . . A 121 ARG CA . 36299 1 1219 . 1 . 1 141 141 ARG CB C 13 31.566 0.03 . 1 . . . . A 121 ARG CB . 36299 1 1220 . 1 . 1 141 141 ARG CG C 13 29.409 0.08 . 1 . . . . A 121 ARG CG . 36299 1 1221 . 1 . 1 141 141 ARG CD C 13 43.464 0.00 . 1 . . . . A 121 ARG CD . 36299 1 1222 . 1 . 1 141 141 ARG N N 15 116.252 0.02 . 1 . . . . A 121 ARG N . 36299 1 1223 . 1 . 1 141 141 ARG NE N 15 89.153 0.05 . 1 . . . . A 121 ARG NE . 36299 1 1224 . 1 . 1 142 142 TYR H H 1 7.658 0.00 . 1 . . . . A 122 TYR H . 36299 1 1225 . 1 . 1 142 142 TYR HA H 1 4.343 0.00 . 1 . . . . A 122 TYR HA . 36299 1 1226 . 1 . 1 142 142 TYR HB2 H 1 1.402 0.00 . 2 . . . . A 122 TYR HB2 . 36299 1 1227 . 1 . 1 142 142 TYR HB3 H 1 1.721 0.00 . 2 . . . . A 122 TYR HB3 . 36299 1 1228 . 1 . 1 142 142 TYR HD1 H 1 6.841 0.01 . 3 . . . . A 122 TYR HD1 . 36299 1 1229 . 1 . 1 142 142 TYR HE1 H 1 6.590 0.01 . 3 . . . . A 122 TYR HE1 . 36299 1 1230 . 1 . 1 142 142 TYR CA C 13 55.008 0.00 . 1 . . . . A 122 TYR CA . 36299 1 1231 . 1 . 1 142 142 TYR CB C 13 35.334 0.02 . 1 . . . . A 122 TYR CB . 36299 1 1232 . 1 . 1 142 142 TYR CD1 C 13 133.715 0.04 . 1 . . . . A 122 TYR CD1 . 36299 1 1233 . 1 . 1 142 142 TYR CE1 C 13 117.448 0.04 . 1 . . . . A 122 TYR CE1 . 36299 1 1234 . 1 . 1 142 142 TYR N N 15 116.811 0.01 . 1 . . . . A 122 TYR N . 36299 1 1235 . 1 . 1 143 143 PRO HA H 1 4.431 0.00 . 1 . . . . A 123 PRO HA . 36299 1 1236 . 1 . 1 143 143 PRO HB2 H 1 1.771 0.00 . 2 . . . . A 123 PRO HB2 . 36299 1 1237 . 1 . 1 143 143 PRO HG3 H 1 1.812 0.01 . 2 . . . . A 123 PRO HG3 . 36299 1 1238 . 1 . 1 143 143 PRO HD2 H 1 3.099 0.00 . 2 . . . . A 123 PRO HD2 . 36299 1 1239 . 1 . 1 143 143 PRO HD3 H 1 3.345 0.00 . 2 . . . . A 123 PRO HD3 . 36299 1 1240 . 1 . 1 143 143 PRO CA C 13 64.700 0.05 . 1 . . . . A 123 PRO CA . 36299 1 1241 . 1 . 1 143 143 PRO CB C 13 31.729 0.00 . 1 . . . . A 123 PRO CB . 36299 1 1242 . 1 . 1 143 143 PRO CG C 13 27.243 0.03 . 1 . . . . A 123 PRO CG . 36299 1 1243 . 1 . 1 143 143 PRO CD C 13 49.626 0.05 . 1 . . . . A 123 PRO CD . 36299 1 1244 . 1 . 1 144 144 ASN H H 1 8.683 0.00 . 1 . . . . A 124 ASN H . 36299 1 1245 . 1 . 1 144 144 ASN HA H 1 4.431 0.01 . 1 . . . . A 124 ASN HA . 36299 1 1246 . 1 . 1 144 144 ASN HB2 H 1 2.732 0.00 . 2 . . . . A 124 ASN HB2 . 36299 1 1247 . 1 . 1 144 144 ASN HD21 H 1 6.950 0.00 . 2 . . . . A 124 ASN HD21 . 36299 1 1248 . 1 . 1 144 144 ASN HD22 H 1 7.740 0.00 . 2 . . . . A 124 ASN HD22 . 36299 1 1249 . 1 . 1 144 144 ASN C C 13 174.014 0.00 . 1 . . . . A 124 ASN C . 36299 1 1250 . 1 . 1 144 144 ASN CA C 13 55.045 0.04 . 1 . . . . A 124 ASN CA . 36299 1 1251 . 1 . 1 144 144 ASN CB C 13 36.771 0.01 . 1 . . . . A 124 ASN CB . 36299 1 1252 . 1 . 1 144 144 ASN N N 15 114.175 0.03 . 1 . . . . A 124 ASN N . 36299 1 1253 . 1 . 1 144 144 ASN ND2 N 15 114.653 0.00 . 1 . . . . A 124 ASN ND2 . 36299 1 1254 . 1 . 1 145 145 PHE H H 1 8.589 0.00 . 1 . . . . A 125 PHE H . 36299 1 1255 . 1 . 1 145 145 PHE HA H 1 4.281 0.01 . 1 . . . . A 125 PHE HA . 36299 1 1256 . 1 . 1 145 145 PHE HB2 H 1 2.421 0.01 . 2 . . . . A 125 PHE HB2 . 36299 1 1257 . 1 . 1 145 145 PHE HB3 H 1 1.688 0.00 . 2 . . . . A 125 PHE HB3 . 36299 1 1258 . 1 . 1 145 145 PHE HD1 H 1 6.627 0.00 . 3 . . . . A 125 PHE HD1 . 36299 1 1259 . 1 . 1 145 145 PHE HE1 H 1 6.914 0.00 . 3 . . . . A 125 PHE HE1 . 36299 1 1260 . 1 . 1 145 145 PHE HZ H 1 6.637 0.00 . 1 . . . . A 125 PHE HZ . 36299 1 1261 . 1 . 1 145 145 PHE CA C 13 56.528 0.11 . 1 . . . . A 125 PHE CA . 36299 1 1262 . 1 . 1 145 145 PHE CB C 13 34.234 0.03 . 1 . . . . A 125 PHE CB . 36299 1 1263 . 1 . 1 145 145 PHE CD1 C 13 129.197 0.10 . 1 . . . . A 125 PHE CD1 . 36299 1 1264 . 1 . 1 145 145 PHE CE1 C 13 130.596 0.04 . 1 . . . . A 125 PHE CE1 . 36299 1 1265 . 1 . 1 145 145 PHE CZ C 13 128.548 0.04 . 1 . . . . A 125 PHE CZ . 36299 1 1266 . 1 . 1 145 145 PHE N N 15 122.286 0.03 . 1 . . . . A 125 PHE N . 36299 1 1267 . 1 . 1 146 146 ALA H H 1 7.322 0.00 . 1 . . . . A 126 ALA H . 36299 1 1268 . 1 . 1 146 146 ALA HA H 1 4.308 0.00 . 1 . . . . A 126 ALA HA . 36299 1 1269 . 1 . 1 146 146 ALA HB1 H 1 1.366 0.00 . 1 . . . . A 126 ALA HB1 . 36299 1 1270 . 1 . 1 146 146 ALA HB2 H 1 1.366 0.00 . 1 . . . . A 126 ALA HB2 . 36299 1 1271 . 1 . 1 146 146 ALA HB3 H 1 1.366 0.00 . 1 . . . . A 126 ALA HB3 . 36299 1 1272 . 1 . 1 146 146 ALA CA C 13 54.303 0.11 . 1 . . . . A 126 ALA CA . 36299 1 1273 . 1 . 1 146 146 ALA CB C 13 18.660 0.08 . 1 . . . . A 126 ALA CB . 36299 1 1274 . 1 . 1 146 146 ALA N N 15 118.238 0.02 . 1 . . . . A 126 ALA N . 36299 1 1275 . 1 . 1 147 147 ASN H H 1 7.446 0.00 . 1 . . . . A 127 ASN H . 36299 1 1276 . 1 . 1 147 147 ASN HA H 1 4.833 0.01 . 1 . . . . A 127 ASN HA . 36299 1 1277 . 1 . 1 147 147 ASN HB2 H 1 2.659 0.00 . 1 . . . . A 127 ASN HB2 . 36299 1 1278 . 1 . 1 147 147 ASN HB3 H 1 2.984 0.00 . 1 . . . . A 127 ASN HB3 . 36299 1 1279 . 1 . 1 147 147 ASN HD21 H 1 6.899 0.00 . 2 . . . . A 127 ASN HD21 . 36299 1 1280 . 1 . 1 147 147 ASN HD22 H 1 7.562 0.00 . 2 . . . . A 127 ASN HD22 . 36299 1 1281 . 1 . 1 147 147 ASN C C 13 174.167 0.00 . 1 . . . . A 127 ASN C . 36299 1 1282 . 1 . 1 147 147 ASN CA C 13 52.713 0.00 . 1 . . . . A 127 ASN CA . 36299 1 1283 . 1 . 1 147 147 ASN CB C 13 39.400 0.07 . 1 . . . . A 127 ASN CB . 36299 1 1284 . 1 . 1 147 147 ASN N N 15 112.684 0.05 . 1 . . . . A 127 ASN N . 36299 1 1285 . 1 . 1 147 147 ASN ND2 N 15 112.917 0.01 . 1 . . . . A 127 ASN ND2 . 36299 1 1286 . 1 . 1 148 148 LEU H H 1 7.582 0.00 . 1 . . . . A 128 LEU H . 36299 1 1287 . 1 . 1 148 148 LEU HA H 1 4.207 0.01 . 1 . . . . A 128 LEU HA . 36299 1 1288 . 1 . 1 148 148 LEU HB2 H 1 1.474 0.00 . 2 . . . . A 128 LEU HB2 . 36299 1 1289 . 1 . 1 148 148 LEU HB3 H 1 1.903 0.00 . 2 . . . . A 128 LEU HB3 . 36299 1 1290 . 1 . 1 148 148 LEU HG H 1 1.783 0.01 . 1 . . . . A 128 LEU HG . 36299 1 1291 . 1 . 1 148 148 LEU HD11 H 1 0.856 0.00 . 2 . . . . A 128 LEU HD11 . 36299 1 1292 . 1 . 1 148 148 LEU HD12 H 1 0.856 0.00 . 2 . . . . A 128 LEU HD12 . 36299 1 1293 . 1 . 1 148 148 LEU HD13 H 1 0.856 0.00 . 2 . . . . A 128 LEU HD13 . 36299 1 1294 . 1 . 1 148 148 LEU HD21 H 1 0.719 0.01 . 2 . . . . A 128 LEU HD21 . 36299 1 1295 . 1 . 1 148 148 LEU HD22 H 1 0.719 0.01 . 2 . . . . A 128 LEU HD22 . 36299 1 1296 . 1 . 1 148 148 LEU HD23 H 1 0.719 0.01 . 2 . . . . A 128 LEU HD23 . 36299 1 1297 . 1 . 1 148 148 LEU CA C 13 55.909 0.00 . 1 . . . . A 128 LEU CA . 36299 1 1298 . 1 . 1 148 148 LEU CB C 13 42.522 0.04 . 1 . . . . A 128 LEU CB . 36299 1 1299 . 1 . 1 148 148 LEU CG C 13 27.044 0.07 . 1 . . . . A 128 LEU CG . 36299 1 1300 . 1 . 1 148 148 LEU CD1 C 13 22.924 0.10 . 2 . . . . A 128 LEU CD1 . 36299 1 1301 . 1 . 1 148 148 LEU CD2 C 13 25.493 0.05 . 2 . . . . A 128 LEU CD2 . 36299 1 1302 . 1 . 1 148 148 LEU N N 15 121.481 0.04 . 1 . . . . A 128 LEU N . 36299 1 1303 . 1 . 1 149 149 GLU H H 1 8.611 0.00 . 1 . . . . A 129 GLU H . 36299 1 1304 . 1 . 1 149 149 GLU HA H 1 4.261 0.03 . 1 . . . . A 129 GLU HA . 36299 1 1305 . 1 . 1 149 149 GLU HB2 H 1 2.007 0.00 . 2 . . . . A 129 GLU HB2 . 36299 1 1306 . 1 . 1 149 149 GLU HB3 H 1 1.902 0.02 . 2 . . . . A 129 GLU HB3 . 36299 1 1307 . 1 . 1 149 149 GLU HG2 H 1 2.237 0.00 . 2 . . . . A 129 GLU HG2 . 36299 1 1308 . 1 . 1 149 149 GLU C C 13 181.183 0.00 . 1 . . . . A 129 GLU C . 36299 1 1309 . 1 . 1 149 149 GLU CA C 13 55.922 0.01 . 1 . . . . A 129 GLU CA . 36299 1 1310 . 1 . 1 149 149 GLU CB C 13 30.759 0.01 . 1 . . . . A 129 GLU CB . 36299 1 1311 . 1 . 1 149 149 GLU CG C 13 36.361 0.03 . 1 . . . . A 129 GLU CG . 36299 1 1312 . 1 . 1 149 149 GLU N N 15 122.101 0.02 . 1 . . . . A 129 GLU N . 36299 1 1313 . 1 . 1 150 150 MET H H 1 8.378 0.00 . 1 . . . . A 130 MET H . 36299 1 1314 . 1 . 1 150 150 MET HA H 1 4.793 0.01 . 1 . . . . A 130 MET HA . 36299 1 1315 . 1 . 1 150 150 MET HB3 H 1 2.557 0.01 . 2 . . . . A 130 MET HB3 . 36299 1 1316 . 1 . 1 150 150 MET HG2 H 1 1.985 0.00 . 2 . . . . A 130 MET HG2 . 36299 1 1317 . 1 . 1 150 150 MET HE1 H 1 2.094 0.00 . 1 . . . . A 130 MET HE1 . 36299 1 1318 . 1 . 1 150 150 MET HE2 H 1 2.094 0.00 . 1 . . . . A 130 MET HE2 . 36299 1 1319 . 1 . 1 150 150 MET HE3 H 1 2.094 0.00 . 1 . . . . A 130 MET HE3 . 36299 1 1320 . 1 . 1 150 150 MET CA C 13 52.792 0.01 . 1 . . . . A 130 MET CA . 36299 1 1321 . 1 . 1 150 150 MET CB C 13 31.942 0.01 . 1 . . . . A 130 MET CB . 36299 1 1322 . 1 . 1 150 150 MET CG C 13 32.797 0.00 . 1 . . . . A 130 MET CG . 36299 1 1323 . 1 . 1 150 150 MET CE C 13 17.238 0.11 . 1 . . . . A 130 MET CE . 36299 1 1324 . 1 . 1 150 150 MET N N 15 122.211 0.03 . 1 . . . . A 130 MET N . 36299 1 1325 . 1 . 1 151 151 PRO HA H 1 4.385 0.00 . 1 . . . . A 131 PRO HA . 36299 1 1326 . 1 . 1 151 151 PRO HB2 H 1 1.863 0.00 . 2 . . . . A 131 PRO HB2 . 36299 1 1327 . 1 . 1 151 151 PRO HB3 H 1 2.291 0.00 . 2 . . . . A 131 PRO HB3 . 36299 1 1328 . 1 . 1 151 151 PRO HG3 H 1 2.006 0.00 . 2 . . . . A 131 PRO HG3 . 36299 1 1329 . 1 . 1 151 151 PRO HD2 H 1 3.617 0.00 . 2 . . . . A 131 PRO HD2 . 36299 1 1330 . 1 . 1 151 151 PRO HD3 H 1 3.878 0.00 . 2 . . . . A 131 PRO HD3 . 36299 1 1331 . 1 . 1 151 151 PRO CA C 13 62.807 0.00 . 1 . . . . A 131 PRO CA . 36299 1 1332 . 1 . 1 151 151 PRO CB C 13 32.094 0.03 . 1 . . . . A 131 PRO CB . 36299 1 1333 . 1 . 1 151 151 PRO CG C 13 27.539 0.01 . 1 . . . . A 131 PRO CG . 36299 1 1334 . 1 . 1 151 151 PRO CD C 13 50.809 0.06 . 1 . . . . A 131 PRO CD . 36299 1 1335 . 1 . 1 152 152 LEU H H 1 8.392 0.00 . 1 . . . . A 132 LEU H . 36299 1 1336 . 1 . 1 152 152 LEU HA H 1 4.214 0.01 . 1 . . . . A 132 LEU HA . 36299 1 1337 . 1 . 1 152 152 LEU HB3 H 1 1.563 0.01 . 2 . . . . A 132 LEU HB3 . 36299 1 1338 . 1 . 1 152 152 LEU HG H 1 1.630 0.00 . 1 . . . . A 132 LEU HG . 36299 1 1339 . 1 . 1 152 152 LEU HD11 H 1 0.855 0.00 . 2 . . . . A 132 LEU HD11 . 36299 1 1340 . 1 . 1 152 152 LEU HD12 H 1 0.855 0.00 . 2 . . . . A 132 LEU HD12 . 36299 1 1341 . 1 . 1 152 152 LEU HD13 H 1 0.855 0.00 . 2 . . . . A 132 LEU HD13 . 36299 1 1342 . 1 . 1 152 152 LEU HD21 H 1 0.898 0.00 . 2 . . . . A 132 LEU HD21 . 36299 1 1343 . 1 . 1 152 152 LEU HD22 H 1 0.898 0.00 . 2 . . . . A 132 LEU HD22 . 36299 1 1344 . 1 . 1 152 152 LEU HD23 H 1 0.898 0.00 . 2 . . . . A 132 LEU HD23 . 36299 1 1345 . 1 . 1 152 152 LEU CA C 13 55.608 0.04 . 1 . . . . A 132 LEU CA . 36299 1 1346 . 1 . 1 152 152 LEU CB C 13 42.481 0.01 . 1 . . . . A 132 LEU CB . 36299 1 1347 . 1 . 1 152 152 LEU CG C 13 27.017 0.00 . 1 . . . . A 132 LEU CG . 36299 1 1348 . 1 . 1 152 152 LEU CD1 C 13 23.688 0.06 . 2 . . . . A 132 LEU CD1 . 36299 1 1349 . 1 . 1 152 152 LEU CD2 C 13 24.928 0.00 . 2 . . . . A 132 LEU CD2 . 36299 1 1350 . 1 . 1 152 152 LEU N N 15 122.415 0.03 . 1 . . . . A 132 LEU N . 36299 1 1351 . 1 . 1 153 153 ASN H H 1 8.337 0.00 . 1 . . . . A 133 ASN H . 36299 1 1352 . 1 . 1 153 153 ASN HA H 1 4.656 0.00 . 1 . . . . A 133 ASN HA . 36299 1 1353 . 1 . 1 153 153 ASN HB2 H 1 2.733 0.00 . 2 . . . . A 133 ASN HB2 . 36299 1 1354 . 1 . 1 153 153 ASN C C 13 174.326 0.00 . 1 . . . . A 133 ASN C . 36299 1 1355 . 1 . 1 153 153 ASN CA C 13 52.996 0.03 . 1 . . . . A 133 ASN CA . 36299 1 1356 . 1 . 1 153 153 ASN CB C 13 39.038 0.01 . 1 . . . . A 133 ASN CB . 36299 1 1357 . 1 . 1 153 153 ASN N N 15 118.381 0.01 . 1 . . . . A 133 ASN N . 36299 1 1358 . 1 . 1 154 154 ALA H H 1 8.194 0.00 . 1 . . . . A 134 ALA H . 36299 1 1359 . 1 . 1 154 154 ALA HA H 1 4.338 0.00 . 1 . . . . A 134 ALA HA . 36299 1 1360 . 1 . 1 154 154 ALA HB1 H 1 1.345 0.00 . 1 . . . . A 134 ALA HB1 . 36299 1 1361 . 1 . 1 154 154 ALA HB2 H 1 1.345 0.00 . 1 . . . . A 134 ALA HB2 . 36299 1 1362 . 1 . 1 154 154 ALA HB3 H 1 1.345 0.00 . 1 . . . . A 134 ALA HB3 . 36299 1 1363 . 1 . 1 154 154 ALA CA C 13 52.469 0.01 . 1 . . . . A 134 ALA CA . 36299 1 1364 . 1 . 1 154 154 ALA CB C 13 19.597 0.10 . 1 . . . . A 134 ALA CB . 36299 1 1365 . 1 . 1 154 154 ALA N N 15 124.806 0.03 . 1 . . . . A 134 ALA N . 36299 1 1366 . 1 . 1 155 155 SER H H 1 7.877 0.00 . 1 . . . . A 135 SER H . 36299 1 1367 . 1 . 1 155 155 SER HA H 1 4.201 0.00 . 1 . . . . A 135 SER HA . 36299 1 1368 . 1 . 1 155 155 SER HB3 H 1 3.803 0.00 . 2 . . . . A 135 SER HB3 . 36299 1 1369 . 1 . 1 155 155 SER CA C 13 59.998 0.00 . 1 . . . . A 135 SER CA . 36299 1 1370 . 1 . 1 155 155 SER CB C 13 64.920 0.00 . 1 . . . . A 135 SER CB . 36299 1 1371 . 1 . 1 155 155 SER N N 15 120.822 0.01 . 1 . . . . A 135 SER N . 36299 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 36299 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 S/N G2N-HN 109.720 8.355 72 E3N-HN 120.598 8.314 160 N4N-HN 119.482 8.503 69 N4ND2-HD21 112.601 6.976 151 N4ND2-HD22 112.604 7.623 138 Q5N-HN 121.809 8.575 65 Q5NE2-HE21 110.790 6.736 200 Q5NE2-HE22 110.792 7.330 210 E6N-HN 119.178 8.305 118 L7N-HN 119.065 7.580 99 V8N-HN 120.318 7.410 94 L9N-HN 117.492 7.757 61 S10N-HN 115.302 7.899 74 D11N-HN 122.740 7.009 81 H12N-HN 121.387 7.664 66 Y13N-HN 118.720 8.608 45 I14N-HN 118.894 8.337 101 S15N-HN 116.052 8.129 67 L16N-HN 123.598 8.740 43 K17N-HN 121.140 8.865 46 R18N-HN 118.982 8.174 55 Y19N-HN 121.554 7.740 53 L20N-HN 120.333 8.955 37 S21N-HN 113.765 7.889 66 A22N-HN 122.824 7.755 80 T23N-HN 105.654 7.260 38 S24N-HN 117.311 7.337 39 D26N-HN 117.737 8.011 47 G27N-HN 108.703 7.940 44 N28N-HN 119.688 8.068 35 N28ND2-HD21 112.697 6.857 72 N28ND2-HD22 112.735 7.660 73 K30N-HN 120.976 7.975 104 A36N-HN 124.889 8.273 35 R37N-HN 120.962 8.306 43 D38N-HN 120.553 8.175 46 K39N-HN 119.204 7.964 62 L40N-HN 117.914 8.279 55 Q41N-HN 117.011 7.554 69 Q41NE2-HE21 110.020 6.758 106 Q41NE2-HE22 110.026 7.315 117 R42N-HN 113.484 7.427 53 L43N-HN 119.712 7.105 68 T44N-HN 114.651 8.837 50 E45N-HN 120.579 9.031 22 V46N-HN 117.895 8.091 91 Q47N-HN 118.936 7.465 65 Q47NE2-HE21 110.668 6.758 47 Q47NE2-HE22 110.679 7.459 28 F48N-HN 120.553 9.193 62 L49N-HN 120.684 8.201 82 E50N-HN 120.704 8.030 75 L51N-HN 119.707 7.402 69 S52N-HN 112.136 8.537 56 T53N-HN 114.052 7.980 43 D54N-HN 124.174 8.239 66 V55N-HN 119.187 8.394 53 Y56N-HN 122.070 8.509 52 D57N-HN 120.553 9.219 72 E58N-HN 124.830 8.533 44 L59N-HN 124.105 8.963 46 K60N-HN 117.663 8.342 56 R61N-HN 122.514 7.826 54 R62N-HN 118.021 8.494 41 R62NE-HE 89.081 8.752 22 E63N-HN 121.359 8.632 58 Q64N-HN 119.099 7.811 76 Q64NE2-HE21 111.131 6.765 135 Q64NE2-HE22 111.124 7.335 125 V65N-HN 120.088 8.042 70 A66N-HN 120.682 7.790 87 R67N-HN 115.149 7.505 121 R68N-HN 120.431 7.363 123 G69N-HN 110.367 8.153 124 N71N-HN 116.217 8.571 10 N71ND2-HD21 113.157 6.899 152 N71ND2-HD22 113.141 7.565 115 A72N-HN 124.184 7.451 181 E75N-HN 117.123 9.415 101 T76N-HN 108.173 7.435 96 A77N-HN 126.489 7.415 139 D80N-HN 118.869 8.331 126 F81N-HN 110.963 7.106 79 L82N-HN 118.624 9.213 20 L83N-HN 125.895 7.869 58 Q85N-HN 118.605 8.186 58 Q85NE2-HE21 112.858 6.726 203 Q85NE2-HE22 112.861 7.190 169 D86N-HN 118.025 7.611 28 N87N-HN 111.872 8.088 53 N87ND2-HD21 112.917 6.376 88 N87ND2-HD22 112.916 7.357 78 F88N-HN 119.392 7.387 98 H89N-HN 122.018 8.705 59 K91N-HN 119.749 10.712 23 R92N-HN 122.572 7.702 64 R92NE-HE 86.077 8.695 28 N93N-HN 117.614 8.159 61 N93ND2-HD21 118.010 7.846 18 Q94N-HN 121.056 8.483 101 Q94NE2-HE21 111.256 6.792 88 Q94NE2-HE22 111.279 7.425 71 A95N-HN 123.536 8.003 92 R96N-HN 118.222 8.444 55 R96NE-HE 82.255 8.322 28 Q97N-HN 120.704 8.055 94 Q97NE2-HE21 109.584 6.113 103 Q97NE2-HE22 109.584 6.273 112 K98N-HN 118.832 8.052 80 L99N-HN 119.876 7.496 62 S100N-HN 112.160 7.431 64 S101N-HN 115.857 7.636 86 L102N-HN 121.964 7.262 72 R106N-HN 116.917 7.109 60 F107N-HN 122.740 9.076 49 R108N-HN 119.570 8.546 56 D109N-HN 121.310 7.799 71 L110N-HN 122.641 7.370 55 A111N-HN 120.165 8.642 67 T112N-HN 114.790 8.440 52 D113N-HN 124.409 8.124 72 V114N-HN 121.069 8.489 107 F115N-HN 121.842 8.989 48 C116N-HN 115.462 8.829 53 E117N-HN 122.783 8.042 56 L118N-HN 123.059 9.143 45 E119N-HN 115.224 7.511 108 R120N-HN 118.190 7.625 66 R120NE-HE 82.852 8.592 15 R121N-HN 116.229 7.967 44 R121NE-HE 89.197 8.729 22 Y122N-HN 116.821 7.656 67 N124N-HN 114.168 8.685 67 N124ND2-HD21 114.653 6.950 95 N124ND2-HD22 114.652 7.740 90 F125N-HN 122.283 8.592 63 A126N-HN 118.215 7.320 86 N127N-HN 112.665 7.446 88 N127ND2-HD21 112.906 6.899 126 N127ND2-HD22 112.927 7.562 245 L128N-HN 121.458 7.580 96 E129N-HN 122.099 8.612 77 M130N-HN 122.225 8.381 124 L132N-HN 122.416 8.392 185 N133N-HN 118.394 8.338 84 A134N-HN 124.831 8.193 63 S135N-HN 120.838 7.878 528 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 14 ppm . . . 4.735 . . 36299 1 2 . . N 15 N . aliased 20 ppm . . . 117 . . 36299 1 stop_ save_