data_30706 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30706 _Entry.Title ; De novo designed Rossmann fold protein ROS2_49223 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-07 _Entry.Accession_date 2020-01-07 _Entry.Last_release_date 2020-05-06 _Entry.Original_release_date 2020-05-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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_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 X. Pan X. . . . 30706 2 Y. Zhang Y. . . . 30706 3 M. Kelly M. . . . 30706 4 T. Kortemme T. . . . 30706 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 30706 'Rossmann fold' . 30706 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30706 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 30706 '15N chemical shifts' 106 30706 '1H chemical shifts' 737 30706 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-07-01 2020-01-07 update BMRB 'update entry citation' 30706 1 . . 2020-08-14 2020-01-07 original author 'original release' 30706 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6VG7 'BMRB Entry Tracking System' 30706 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30706 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32855341 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Expanding the space of protein geometries by computational design of de novo fold families ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 369 _Citation.Journal_issue 6507 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _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 1132 _Citation.Page_last 1136 _Citation.Year 2020 _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 Xingjie Pan X. . . . 30706 1 2 Michael Thompson M. C. . . 30706 1 3 Yang Zhang Y. . . . 30706 1 4 Lin Liu L. . . . 30706 1 5 James Fraser J. S. . . 30706 1 6 Mark Kelly . . . . 30706 1 7 Tanja Kortemme T. . . . 30706 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30706 _Assembly.ID 1 _Assembly.Name 'De novo designed protein ROS2_49223' _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 unit_1 1 $entity_1 A A yes . . . . . . 30706 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30706 _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 MTLFVLILSNDKKLIEEARK MAEKANLILITVGDEEELKK AIKKADDIAKKQNSSEAKIL ILLEKPVSPEYEKKLQKYAD AEVRVRTVTSPDEAKRWIKE FSEE ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14153.302 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30706 1 2 . GLY . 30706 1 3 . SER . 30706 1 4 . SER . 30706 1 5 . HIS . 30706 1 6 . HIS . 30706 1 7 . HIS . 30706 1 8 . HIS . 30706 1 9 . HIS . 30706 1 10 . HIS . 30706 1 11 . SER . 30706 1 12 . SER . 30706 1 13 . GLY . 30706 1 14 . LEU . 30706 1 15 . VAL . 30706 1 16 . PRO . 30706 1 17 . ARG . 30706 1 18 . GLY . 30706 1 19 . SER . 30706 1 20 . HIS . 30706 1 21 . MET . 30706 1 22 . THR . 30706 1 23 . LEU . 30706 1 24 . PHE . 30706 1 25 . VAL . 30706 1 26 . LEU . 30706 1 27 . ILE . 30706 1 28 . LEU . 30706 1 29 . SER . 30706 1 30 . ASN . 30706 1 31 . ASP . 30706 1 32 . LYS . 30706 1 33 . LYS . 30706 1 34 . LEU . 30706 1 35 . ILE . 30706 1 36 . GLU . 30706 1 37 . GLU . 30706 1 38 . ALA . 30706 1 39 . ARG . 30706 1 40 . LYS . 30706 1 41 . MET . 30706 1 42 . ALA . 30706 1 43 . GLU . 30706 1 44 . LYS . 30706 1 45 . ALA . 30706 1 46 . ASN . 30706 1 47 . LEU . 30706 1 48 . ILE . 30706 1 49 . LEU . 30706 1 50 . ILE . 30706 1 51 . THR . 30706 1 52 . VAL . 30706 1 53 . GLY . 30706 1 54 . ASP . 30706 1 55 . GLU . 30706 1 56 . GLU . 30706 1 57 . GLU . 30706 1 58 . LEU . 30706 1 59 . LYS . 30706 1 60 . LYS . 30706 1 61 . ALA . 30706 1 62 . ILE . 30706 1 63 . LYS . 30706 1 64 . LYS . 30706 1 65 . ALA . 30706 1 66 . ASP . 30706 1 67 . ASP . 30706 1 68 . ILE . 30706 1 69 . ALA . 30706 1 70 . LYS . 30706 1 71 . LYS . 30706 1 72 . GLN . 30706 1 73 . ASN . 30706 1 74 . SER . 30706 1 75 . SER . 30706 1 76 . GLU . 30706 1 77 . ALA . 30706 1 78 . LYS . 30706 1 79 . ILE . 30706 1 80 . LEU . 30706 1 81 . ILE . 30706 1 82 . LEU . 30706 1 83 . LEU . 30706 1 84 . GLU . 30706 1 85 . LYS . 30706 1 86 . PRO . 30706 1 87 . VAL . 30706 1 88 . SER . 30706 1 89 . PRO . 30706 1 90 . GLU . 30706 1 91 . TYR . 30706 1 92 . GLU . 30706 1 93 . LYS . 30706 1 94 . LYS . 30706 1 95 . LEU . 30706 1 96 . GLN . 30706 1 97 . LYS . 30706 1 98 . TYR . 30706 1 99 . ALA . 30706 1 100 . ASP . 30706 1 101 . ALA . 30706 1 102 . GLU . 30706 1 103 . VAL . 30706 1 104 . ARG . 30706 1 105 . VAL . 30706 1 106 . ARG . 30706 1 107 . THR . 30706 1 108 . VAL . 30706 1 109 . THR . 30706 1 110 . SER . 30706 1 111 . PRO . 30706 1 112 . ASP . 30706 1 113 . GLU . 30706 1 114 . ALA . 30706 1 115 . LYS . 30706 1 116 . ARG . 30706 1 117 . TRP . 30706 1 118 . ILE . 30706 1 119 . LYS . 30706 1 120 . GLU . 30706 1 121 . PHE . 30706 1 122 . SER . 30706 1 123 . GLU . 30706 1 124 . GLU . 30706 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 30706 1 . GLY 2 2 30706 1 . SER 3 3 30706 1 . SER 4 4 30706 1 . HIS 5 5 30706 1 . HIS 6 6 30706 1 . HIS 7 7 30706 1 . HIS 8 8 30706 1 . HIS 9 9 30706 1 . HIS 10 10 30706 1 . SER 11 11 30706 1 . SER 12 12 30706 1 . GLY 13 13 30706 1 . LEU 14 14 30706 1 . VAL 15 15 30706 1 . PRO 16 16 30706 1 . ARG 17 17 30706 1 . GLY 18 18 30706 1 . SER 19 19 30706 1 . HIS 20 20 30706 1 . MET 21 21 30706 1 . THR 22 22 30706 1 . LEU 23 23 30706 1 . PHE 24 24 30706 1 . VAL 25 25 30706 1 . LEU 26 26 30706 1 . ILE 27 27 30706 1 . LEU 28 28 30706 1 . SER 29 29 30706 1 . ASN 30 30 30706 1 . ASP 31 31 30706 1 . LYS 32 32 30706 1 . LYS 33 33 30706 1 . LEU 34 34 30706 1 . ILE 35 35 30706 1 . GLU 36 36 30706 1 . GLU 37 37 30706 1 . ALA 38 38 30706 1 . ARG 39 39 30706 1 . LYS 40 40 30706 1 . MET 41 41 30706 1 . ALA 42 42 30706 1 . GLU 43 43 30706 1 . LYS 44 44 30706 1 . ALA 45 45 30706 1 . ASN 46 46 30706 1 . LEU 47 47 30706 1 . ILE 48 48 30706 1 . LEU 49 49 30706 1 . ILE 50 50 30706 1 . THR 51 51 30706 1 . VAL 52 52 30706 1 . GLY 53 53 30706 1 . ASP 54 54 30706 1 . GLU 55 55 30706 1 . GLU 56 56 30706 1 . GLU 57 57 30706 1 . LEU 58 58 30706 1 . LYS 59 59 30706 1 . LYS 60 60 30706 1 . ALA 61 61 30706 1 . ILE 62 62 30706 1 . LYS 63 63 30706 1 . LYS 64 64 30706 1 . ALA 65 65 30706 1 . ASP 66 66 30706 1 . ASP 67 67 30706 1 . ILE 68 68 30706 1 . ALA 69 69 30706 1 . LYS 70 70 30706 1 . LYS 71 71 30706 1 . GLN 72 72 30706 1 . ASN 73 73 30706 1 . SER 74 74 30706 1 . SER 75 75 30706 1 . GLU 76 76 30706 1 . ALA 77 77 30706 1 . LYS 78 78 30706 1 . ILE 79 79 30706 1 . LEU 80 80 30706 1 . ILE 81 81 30706 1 . LEU 82 82 30706 1 . LEU 83 83 30706 1 . GLU 84 84 30706 1 . LYS 85 85 30706 1 . PRO 86 86 30706 1 . VAL 87 87 30706 1 . SER 88 88 30706 1 . PRO 89 89 30706 1 . GLU 90 90 30706 1 . TYR 91 91 30706 1 . GLU 92 92 30706 1 . LYS 93 93 30706 1 . LYS 94 94 30706 1 . LEU 95 95 30706 1 . GLN 96 96 30706 1 . LYS 97 97 30706 1 . TYR 98 98 30706 1 . ALA 99 99 30706 1 . ASP 100 100 30706 1 . ALA 101 101 30706 1 . GLU 102 102 30706 1 . VAL 103 103 30706 1 . ARG 104 104 30706 1 . VAL 105 105 30706 1 . ARG 106 106 30706 1 . THR 107 107 30706 1 . VAL 108 108 30706 1 . THR 109 109 30706 1 . SER 110 110 30706 1 . PRO 111 111 30706 1 . ASP 112 112 30706 1 . GLU 113 113 30706 1 . ALA 114 114 30706 1 . LYS 115 115 30706 1 . ARG 116 116 30706 1 . TRP 117 117 30706 1 . ILE 118 118 30706 1 . LYS 119 119 30706 1 . GLU 120 120 30706 1 . PHE 121 121 30706 1 . SER 122 122 30706 1 . GLU 123 123 30706 1 . GLU 124 124 30706 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 30706 _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 . 32630 . . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 30706 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 30706 _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 K-12' . . 83333 . . K-12 . . . . . . . . . 30706 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30706 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.76 mM [U-99% 13C; U-99% 15N] de novo protein RO2_25, 21.1 mM potassium phosphate monobasic, 28.9 mM sodium phosphate dibasic, 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 'de novo protein RO2_25' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.76 . . mM . . . . 30706 1 2 'potassium phosphate monobasic' 'natural abundance' . . . . . . 21.1 . . mM . . . . 30706 1 3 'sodium phosphate dibasic' 'natural abundance' . . . . . . 28.9 . . mM . . . . 30706 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 30706 _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' 0 . M 30706 1 pH 7.0 . pH 30706 1 pressure 1 . atm 30706 1 temperature 300 . K 30706 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30706 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30706 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30706 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30706 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 9.8 _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' . . 30706 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30706 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30706 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30706 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30706 3 'peak picking' . 30706 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30706 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version 2.3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30706 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30706 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30706 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version 1.21 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30706 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30706 5 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 30706 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30706 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30706 _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 . . . 30706 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 30706 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 30706 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30706 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30706 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30706 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30706 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30706 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30706 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30706 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 30706 _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 internal indirect 0.25144953 . . . . . 30706 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30706 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30706 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 30706 _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' . . . 30706 1 2 '2D 1H-13C HSQC' . . . 30706 1 3 '3D CBCA(CO)NH' . . . 30706 1 4 '3D HNCACB' . . . 30706 1 5 '3D HCCH-TOCSY' . . . 30706 1 6 '3D 1H-15N NOESY' . . . 30706 1 7 '3D 1H-13C NOESY' . . . 30706 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 H H 1 8.107 0.001 . 1 . . 115 . A 21 MET H . 30706 1 2 . 1 . 1 21 21 MET HA H 1 4.812 0.012 . 1 . . 344 . A 21 MET HA . 30706 1 3 . 1 . 1 21 21 MET HB2 H 1 1.834 0.002 . 1 . . 345 . A 21 MET HB2 . 30706 1 4 . 1 . 1 21 21 MET HG2 H 1 2.293 0.002 . 1 . . 347 . A 21 MET HG2 . 30706 1 5 . 1 . 1 21 21 MET CA C 13 55.121 0.016 . 1 . . 316 . A 21 MET CA . 30706 1 6 . 1 . 1 21 21 MET CB C 13 34.323 0.039 . 1 . . 315 . A 21 MET CB . 30706 1 7 . 1 . 1 21 21 MET CG C 13 31.801 0.045 . 1 . . 346 . A 21 MET CG . 30706 1 8 . 1 . 1 21 21 MET N N 15 121.492 0.019 . 1 . . 116 . A 21 MET N . 30706 1 9 . 1 . 1 22 22 THR H H 1 8.310 0.003 . 1 . . 53 . A 22 THR H . 30706 1 10 . 1 . 1 22 22 THR HA H 1 4.256 0.002 . 1 . . 348 . A 22 THR HA . 30706 1 11 . 1 . 1 22 22 THR HB H 1 3.950 0.002 . 1 . . 349 . A 22 THR HB . 30706 1 12 . 1 . 1 22 22 THR HG21 H 1 0.909 0.005 . 1 . . 351 . A 22 THR HG1 . 30706 1 13 . 1 . 1 22 22 THR HG22 H 1 0.909 0.005 . 1 . . 351 . A 22 THR HG1 . 30706 1 14 . 1 . 1 22 22 THR HG23 H 1 0.909 0.005 . 1 . . 351 . A 22 THR HG1 . 30706 1 15 . 1 . 1 22 22 THR CA C 13 62.446 0.065 . 1 . . 223 . A 22 THR CA . 30706 1 16 . 1 . 1 22 22 THR CB C 13 69.712 0.035 . 1 . . 224 . A 22 THR CB . 30706 1 17 . 1 . 1 22 22 THR CG2 C 13 23.084 0.006 . 1 . . 350 . A 22 THR CG2 . 30706 1 18 . 1 . 1 22 22 THR N N 15 118.932 0.019 . 1 . . 54 . A 22 THR N . 30706 1 19 . 1 . 1 23 23 LEU H H 1 7.988 0.002 . 1 . . 141 . A 23 LEU H . 30706 1 20 . 1 . 1 23 23 LEU HA H 1 5.217 0.003 . 1 . . 354 . A 23 LEU HA . 30706 1 21 . 1 . 1 23 23 LEU HB2 H 1 1.325 0.006 . 2 . . 352 . A 23 LEU HB2 . 30706 1 22 . 1 . 1 23 23 LEU HB3 H 1 1.662 0.004 . 2 . . 353 . A 23 LEU HB3 . 30706 1 23 . 1 . 1 23 23 LEU HG H 1 1.390 0.008 . 1 . . 356 . A 23 LEU HG . 30706 1 24 . 1 . 1 23 23 LEU HD11 H 1 0.579 0.004 . 2 . . 358 . A 23 LEU HD11 . 30706 1 25 . 1 . 1 23 23 LEU HD12 H 1 0.579 0.004 . 2 . . 358 . A 23 LEU HD12 . 30706 1 26 . 1 . 1 23 23 LEU HD13 H 1 0.579 0.004 . 2 . . 358 . A 23 LEU HD13 . 30706 1 27 . 1 . 1 23 23 LEU HD21 H 1 0.487 0.003 . 2 . . 360 . A 23 LEU HD21 . 30706 1 28 . 1 . 1 23 23 LEU HD22 H 1 0.487 0.003 . 2 . . 360 . A 23 LEU HD22 . 30706 1 29 . 1 . 1 23 23 LEU HD23 H 1 0.487 0.003 . 2 . . 360 . A 23 LEU HD23 . 30706 1 30 . 1 . 1 23 23 LEU CA C 13 53.904 0.034 . 1 . . 208 . A 23 LEU CA . 30706 1 31 . 1 . 1 23 23 LEU CB C 13 44.600 0.031 . 1 . . 209 . A 23 LEU CB . 30706 1 32 . 1 . 1 23 23 LEU CG C 13 27.448 0.003 . 1 . . 355 . A 23 LEU CG . 30706 1 33 . 1 . 1 23 23 LEU CD1 C 13 25.034 0.023 . 2 . . 357 . A 23 LEU CD1 . 30706 1 34 . 1 . 1 23 23 LEU CD2 C 13 24.303 0.012 . 2 . . 359 . A 23 LEU CD2 . 30706 1 35 . 1 . 1 23 23 LEU N N 15 125.823 0.011 . 1 . . 142 . A 23 LEU N . 30706 1 36 . 1 . 1 24 24 PHE H H 1 8.735 0.003 . 1 . . 67 . A 24 PHE H . 30706 1 37 . 1 . 1 24 24 PHE HA H 1 5.420 0.004 . 1 . . 361 . A 24 PHE HA . 30706 1 38 . 1 . 1 24 24 PHE HB2 H 1 2.912 0.005 . 2 . . 362 . A 24 PHE HB2 . 30706 1 39 . 1 . 1 24 24 PHE HB3 H 1 2.763 0.005 . 2 . . 363 . A 24 PHE HB3 . 30706 1 40 . 1 . 1 24 24 PHE HD1 H 1 7.117 0.003 . 1 . . 1068 . A 24 PHE HD1 . 30706 1 41 . 1 . 1 24 24 PHE HD2 H 1 7.117 0.003 . 1 . . 1068 . A 24 PHE HD2 . 30706 1 42 . 1 . 1 24 24 PHE HE1 H 1 7.191 0.006 . 1 . . 1069 . A 24 PHE HE1 . 30706 1 43 . 1 . 1 24 24 PHE HE2 H 1 7.191 0.006 . 1 . . 1069 . A 24 PHE HE2 . 30706 1 44 . 1 . 1 24 24 PHE CA C 13 56.248 0.04 . 1 . . 246 . A 24 PHE CA . 30706 1 45 . 1 . 1 24 24 PHE CB C 13 43.700 0.073 . 1 . . 247 . A 24 PHE CB . 30706 1 46 . 1 . 1 24 24 PHE N N 15 119.443 0.014 . 1 . . 68 . A 24 PHE N . 30706 1 47 . 1 . 1 25 25 VAL H H 1 9.259 0.004 . 1 . . 55 . A 25 VAL H . 30706 1 48 . 1 . 1 25 25 VAL HA H 1 5.057 0.006 . 1 . . 365 . A 25 VAL HA . 30706 1 49 . 1 . 1 25 25 VAL HB H 1 1.893 0.009 . 1 . . 366 . A 25 VAL HB . 30706 1 50 . 1 . 1 25 25 VAL HG11 H 1 0.954 0.007 . 2 . . 368 . A 25 VAL HG11 . 30706 1 51 . 1 . 1 25 25 VAL HG12 H 1 0.954 0.007 . 2 . . 368 . A 25 VAL HG12 . 30706 1 52 . 1 . 1 25 25 VAL HG13 H 1 0.954 0.007 . 2 . . 368 . A 25 VAL HG13 . 30706 1 53 . 1 . 1 25 25 VAL HG21 H 1 0.729 0.005 . 2 . . 370 . A 25 VAL HG21 . 30706 1 54 . 1 . 1 25 25 VAL HG22 H 1 0.729 0.005 . 2 . . 370 . A 25 VAL HG22 . 30706 1 55 . 1 . 1 25 25 VAL HG23 H 1 0.729 0.005 . 2 . . 370 . A 25 VAL HG23 . 30706 1 56 . 1 . 1 25 25 VAL CA C 13 60.468 0.021 . 1 . . 364 . A 25 VAL CA . 30706 1 57 . 1 . 1 25 25 VAL CB C 13 33.844 0.057 . 1 . . 211 . A 25 VAL CB . 30706 1 58 . 1 . 1 25 25 VAL CG1 C 13 22.554 0.014 . 2 . . 367 . A 25 VAL CG1 . 30706 1 59 . 1 . 1 25 25 VAL CG2 C 13 20.779 0.013 . 2 . . 369 . A 25 VAL CG2 . 30706 1 60 . 1 . 1 25 25 VAL N N 15 120.737 0.007 . 1 . . 56 . A 25 VAL N . 30706 1 61 . 1 . 1 26 26 LEU H H 1 9.550 0.005 . 1 . . 75 . A 26 LEU H . 30706 1 62 . 1 . 1 26 26 LEU HA H 1 5.635 0.003 . 1 . . 371 . A 26 LEU HA . 30706 1 63 . 1 . 1 26 26 LEU HB2 H 1 1.510 0.007 . 2 . . 372 . A 26 LEU HB2 . 30706 1 64 . 1 . 1 26 26 LEU HB3 H 1 1.263 0.005 . 2 . . 373 . A 26 LEU HB3 . 30706 1 65 . 1 . 1 26 26 LEU HG H 1 1.573 0.003 . 1 . . 375 . A 26 LEU HG . 30706 1 66 . 1 . 1 26 26 LEU HD11 H 1 0.695 0.007 . 2 . . 377 . A 26 LEU HD11 . 30706 1 67 . 1 . 1 26 26 LEU HD12 H 1 0.695 0.007 . 2 . . 377 . A 26 LEU HD12 . 30706 1 68 . 1 . 1 26 26 LEU HD13 H 1 0.695 0.007 . 2 . . 377 . A 26 LEU HD13 . 30706 1 69 . 1 . 1 26 26 LEU HD21 H 1 0.653 0.022 . 2 . . 379 . A 26 LEU HD21 . 30706 1 70 . 1 . 1 26 26 LEU HD22 H 1 0.653 0.022 . 2 . . 379 . A 26 LEU HD22 . 30706 1 71 . 1 . 1 26 26 LEU HD23 H 1 0.653 0.022 . 2 . . 379 . A 26 LEU HD23 . 30706 1 72 . 1 . 1 26 26 LEU CA C 13 52.642 0.021 . 1 . . 281 . A 26 LEU CA . 30706 1 73 . 1 . 1 26 26 LEU CB C 13 43.982 0.037 . 1 . . 282 . A 26 LEU CB . 30706 1 74 . 1 . 1 26 26 LEU CG C 13 29.092 0.079 . 1 . . 374 . A 26 LEU CG . 30706 1 75 . 1 . 1 26 26 LEU CD1 C 13 26.686 0.013 . 2 . . 376 . A 26 LEU CD1 . 30706 1 76 . 1 . 1 26 26 LEU CD2 C 13 26.685 . . 2 . . 378 . A 26 LEU CD2 . 30706 1 77 . 1 . 1 26 26 LEU N N 15 129.885 0.01 . 1 . . 76 . A 26 LEU N . 30706 1 78 . 1 . 1 27 27 ILE H H 1 8.406 0.002 . 1 . . 101 . A 27 ILE H . 30706 1 79 . 1 . 1 27 27 ILE HA H 1 4.993 0.004 . 1 . . 380 . A 27 ILE HA . 30706 1 80 . 1 . 1 27 27 ILE HB H 1 1.550 0.004 . 1 . . 381 . A 27 ILE HB . 30706 1 81 . 1 . 1 27 27 ILE HG12 H 1 1.537 0.004 . 2 . . 383 . A 27 ILE HG12 . 30706 1 82 . 1 . 1 27 27 ILE HG13 H 1 0.855 0.004 . 2 . . 384 . A 27 ILE HG13 . 30706 1 83 . 1 . 1 27 27 ILE HG21 H 1 0.798 0.005 . 1 . . 386 . A 27 ILE HG21 . 30706 1 84 . 1 . 1 27 27 ILE HG22 H 1 0.798 0.005 . 1 . . 386 . A 27 ILE HG22 . 30706 1 85 . 1 . 1 27 27 ILE HG23 H 1 0.798 0.005 . 1 . . 386 . A 27 ILE HG23 . 30706 1 86 . 1 . 1 27 27 ILE HD11 H 1 0.634 0.004 . 1 . . 388 . A 27 ILE HD11 . 30706 1 87 . 1 . 1 27 27 ILE HD12 H 1 0.634 0.004 . 1 . . 388 . A 27 ILE HD12 . 30706 1 88 . 1 . 1 27 27 ILE HD13 H 1 0.634 0.004 . 1 . . 388 . A 27 ILE HD13 . 30706 1 89 . 1 . 1 27 27 ILE CA C 13 59.172 0.017 . 1 . . 317 . A 27 ILE CA . 30706 1 90 . 1 . 1 27 27 ILE CB C 13 41.643 0.03 . 1 . . 217 . A 27 ILE CB . 30706 1 91 . 1 . 1 27 27 ILE CG1 C 13 27.703 0.034 . 1 . . 382 . A 27 ILE CG1 . 30706 1 92 . 1 . 1 27 27 ILE CG2 C 13 17.025 0.027 . 1 . . 385 . A 27 ILE CG2 . 30706 1 93 . 1 . 1 27 27 ILE CD1 C 13 14.292 0.023 . 1 . . 387 . A 27 ILE CD1 . 30706 1 94 . 1 . 1 27 27 ILE N N 15 119.093 0.026 . 1 . . 102 . A 27 ILE N . 30706 1 95 . 1 . 1 28 28 LEU H H 1 8.091 0.003 . 1 . . 125 . A 28 LEU H . 30706 1 96 . 1 . 1 28 28 LEU HA H 1 5.037 0.003 . 1 . . 389 . A 28 LEU HA . 30706 1 97 . 1 . 1 28 28 LEU HB2 H 1 2.060 0.005 . 2 . . 390 . A 28 LEU HB2 . 30706 1 98 . 1 . 1 28 28 LEU HB3 H 1 0.944 0.004 . 2 . . 391 . A 28 LEU HB3 . 30706 1 99 . 1 . 1 28 28 LEU HG H 1 1.462 0.004 . 1 . . 393 . A 28 LEU HG . 30706 1 100 . 1 . 1 28 28 LEU HD11 H 1 0.711 0.007 . 2 . . 395 . A 28 LEU HD11 . 30706 1 101 . 1 . 1 28 28 LEU HD12 H 1 0.711 0.007 . 2 . . 395 . A 28 LEU HD12 . 30706 1 102 . 1 . 1 28 28 LEU HD13 H 1 0.711 0.007 . 2 . . 395 . A 28 LEU HD13 . 30706 1 103 . 1 . 1 28 28 LEU HD21 H 1 0.613 0.004 . 2 . . 397 . A 28 LEU HD21 . 30706 1 104 . 1 . 1 28 28 LEU HD22 H 1 0.613 0.004 . 2 . . 397 . A 28 LEU HD22 . 30706 1 105 . 1 . 1 28 28 LEU HD23 H 1 0.613 0.004 . 2 . . 397 . A 28 LEU HD23 . 30706 1 106 . 1 . 1 28 28 LEU CA C 13 53.198 0.029 . 1 . . 266 . A 28 LEU CA . 30706 1 107 . 1 . 1 28 28 LEU CB C 13 42.018 0.023 . 1 . . 265 . A 28 LEU CB . 30706 1 108 . 1 . 1 28 28 LEU CG C 13 28.274 0.057 . 1 . . 392 . A 28 LEU CG . 30706 1 109 . 1 . 1 28 28 LEU CD1 C 13 24.554 0.026 . 2 . . 394 . A 28 LEU CD1 . 30706 1 110 . 1 . 1 28 28 LEU CD2 C 13 24.765 0.009 . 2 . . 396 . A 28 LEU CD2 . 30706 1 111 . 1 . 1 28 28 LEU N N 15 130.752 0.007 . 1 . . 126 . A 28 LEU N . 30706 1 112 . 1 . 1 29 29 SER H H 1 7.924 0.003 . 1 . . 189 . A 29 SER H . 30706 1 113 . 1 . 1 29 29 SER HA H 1 4.429 0.002 . 1 . . 399 . A 29 SER HA . 30706 1 114 . 1 . 1 29 29 SER HB2 H 1 3.957 0.003 . 2 . . 400 . A 29 SER HB2 . 30706 1 115 . 1 . 1 29 29 SER HB3 H 1 3.015 0.003 . 2 . . 401 . A 29 SER HB3 . 30706 1 116 . 1 . 1 29 29 SER CA C 13 58.442 0.102 . 1 . . 398 . A 29 SER CA . 30706 1 117 . 1 . 1 29 29 SER CB C 13 64.783 0.026 . 1 . . 283 . A 29 SER CB . 30706 1 118 . 1 . 1 29 29 SER N N 15 116.162 0.015 . 1 . . 190 . A 29 SER N . 30706 1 119 . 1 . 1 30 30 ASN H H 1 8.852 0.004 . 1 . . 187 . A 30 ASN H . 30706 1 120 . 1 . 1 30 30 ASN HA H 1 4.939 0.002 . 1 . . 402 . A 30 ASN HA . 30706 1 121 . 1 . 1 30 30 ASN HB2 H 1 2.961 0.005 . 2 . . 403 . A 30 ASN HB2 . 30706 1 122 . 1 . 1 30 30 ASN HB3 H 1 2.698 0.003 . 2 . . 404 . A 30 ASN HB3 . 30706 1 123 . 1 . 1 30 30 ASN HD21 H 1 7.008 0.002 . 1 . . 1057 . A 30 ASN HD21 . 30706 1 124 . 1 . 1 30 30 ASN HD22 H 1 7.683 0.001 . 1 . . 1058 . A 30 ASN HD22 . 30706 1 125 . 1 . 1 30 30 ASN CA C 13 52.796 0.055 . 1 . . 231 . A 30 ASN CA . 30706 1 126 . 1 . 1 30 30 ASN CB C 13 40.030 0.032 . 1 . . 232 . A 30 ASN CB . 30706 1 127 . 1 . 1 30 30 ASN N N 15 122.883 0.011 . 1 . . 188 . A 30 ASN N . 30706 1 128 . 1 . 1 30 30 ASN ND2 N 15 113.287 0.003 . 1 . . 1056 . A 30 ASN ND2 . 30706 1 129 . 1 . 1 31 31 ASP H H 1 8.964 0.003 . 1 . . 181 . A 31 ASP H . 30706 1 130 . 1 . 1 31 31 ASP HA H 1 4.592 0.003 . 1 . . 405 . A 31 ASP HA . 30706 1 131 . 1 . 1 31 31 ASP HB2 H 1 3.007 0.006 . 2 . . 406 . A 31 ASP HB2 . 30706 1 132 . 1 . 1 31 31 ASP HB3 H 1 2.566 0.004 . 2 . . 407 . A 31 ASP HB3 . 30706 1 133 . 1 . 1 31 31 ASP CA C 13 53.907 0.043 . 1 . . 307 . A 31 ASP CA . 30706 1 134 . 1 . 1 31 31 ASP CB C 13 41.399 0.03 . 1 . . 306 . A 31 ASP CB . 30706 1 135 . 1 . 1 31 31 ASP N N 15 123.457 0.016 . 1 . . 182 . A 31 ASP N . 30706 1 136 . 1 . 1 32 32 LYS H H 1 8.601 0.002 . 1 . . 127 . A 32 LYS H . 30706 1 137 . 1 . 1 32 32 LYS HA H 1 3.882 0.005 . 1 . . 865 . A 32 LYS HA . 30706 1 138 . 1 . 1 32 32 LYS HB2 H 1 1.880 0.005 . 1 . . 866 . A 32 LYS HB2 . 30706 1 139 . 1 . 1 32 32 LYS HG2 H 1 1.478 0.002 . 2 . . 868 . A 32 LYS HG2 . 30706 1 140 . 1 . 1 32 32 LYS HG3 H 1 1.614 0.005 . 2 . . 869 . A 32 LYS HG3 . 30706 1 141 . 1 . 1 32 32 LYS HD2 H 1 1.714 0.005 . 1 . . 871 . A 32 LYS HD2 . 30706 1 142 . 1 . 1 32 32 LYS HE2 H 1 3.031 0.008 . 1 . . 873 . A 32 LYS HE2 . 30706 1 143 . 1 . 1 32 32 LYS CA C 13 59.617 0.083 . 1 . . 318 . A 32 LYS CA . 30706 1 144 . 1 . 1 32 32 LYS CB C 13 32.608 0.027 . 1 . . 305 . A 32 LYS CB . 30706 1 145 . 1 . 1 32 32 LYS CG C 13 25.325 0.028 . 1 . . 867 . A 32 LYS CG . 30706 1 146 . 1 . 1 32 32 LYS CD C 13 29.237 0.024 . 1 . . 870 . A 32 LYS CD . 30706 1 147 . 1 . 1 32 32 LYS CE C 13 42.101 0.031 . 1 . . 872 . A 32 LYS CE . 30706 1 148 . 1 . 1 32 32 LYS N N 15 126.093 0.005 . 1 . . 128 . A 32 LYS N . 30706 1 149 . 1 . 1 33 33 LYS H H 1 8.129 0.003 . 1 . . 57 . A 33 LYS H . 30706 1 150 . 1 . 1 33 33 LYS HA H 1 4.166 0.003 . 1 . . 874 . A 33 LYS HA . 30706 1 151 . 1 . 1 33 33 LYS HB2 H 1 1.923 0.005 . 2 . . 876 . A 33 LYS HB2 . 30706 1 152 . 1 . 1 33 33 LYS HB3 H 1 1.961 0.002 . 2 . . 877 . A 33 LYS HB3 . 30706 1 153 . 1 . 1 33 33 LYS HG2 H 1 1.455 0.003 . 2 . . 879 . A 33 LYS HG2 . 30706 1 154 . 1 . 1 33 33 LYS HG3 H 1 1.507 0.008 . 2 . . 880 . A 33 LYS HG3 . 30706 1 155 . 1 . 1 33 33 LYS HD2 H 1 1.745 0.001 . 2 . . 882 . A 33 LYS HD2 . 30706 1 156 . 1 . 1 33 33 LYS HD3 H 1 1.770 0.001 . 2 . . 883 . A 33 LYS HD3 . 30706 1 157 . 1 . 1 33 33 LYS HE2 H 1 2.994 0.001 . 1 . . 885 . A 33 LYS HE2 . 30706 1 158 . 1 . 1 33 33 LYS CA C 13 58.908 0.035 . 1 . . 271 . A 33 LYS CA . 30706 1 159 . 1 . 1 33 33 LYS CB C 13 31.752 0.014 . 1 . . 875 . A 33 LYS CB . 30706 1 160 . 1 . 1 33 33 LYS CG C 13 25.136 0.031 . 1 . . 878 . A 33 LYS CG . 30706 1 161 . 1 . 1 33 33 LYS CD C 13 28.811 0.002 . 1 . . 881 . A 33 LYS CD . 30706 1 162 . 1 . 1 33 33 LYS CE C 13 42.138 0.002 . 1 . . 884 . A 33 LYS CE . 30706 1 163 . 1 . 1 33 33 LYS N N 15 119.480 0.032 . 1 . . 58 . A 33 LYS N . 30706 1 164 . 1 . 1 34 34 LEU H H 1 7.621 0.002 . 1 . . 59 . A 34 LEU H . 30706 1 165 . 1 . 1 34 34 LEU HA H 1 3.745 0.004 . 1 . . 409 . A 34 LEU HA . 30706 1 166 . 1 . 1 34 34 LEU HB2 H 1 1.901 0.004 . 2 . . 410 . A 34 LEU HB2 . 30706 1 167 . 1 . 1 34 34 LEU HB3 H 1 1.614 0.006 . 2 . . 411 . A 34 LEU HB3 . 30706 1 168 . 1 . 1 34 34 LEU HG H 1 1.416 0.007 . 1 . . 413 . A 34 LEU HG . 30706 1 169 . 1 . 1 34 34 LEU HD11 H 1 0.770 0.005 . 1 . . 415 . A 34 LEU HD11 . 30706 1 170 . 1 . 1 34 34 LEU HD12 H 1 0.770 0.005 . 1 . . 415 . A 34 LEU HD12 . 30706 1 171 . 1 . 1 34 34 LEU HD13 H 1 0.770 0.005 . 1 . . 415 . A 34 LEU HD13 . 30706 1 172 . 1 . 1 34 34 LEU CA C 13 59.147 0.027 . 1 . . 408 . A 34 LEU CA . 30706 1 173 . 1 . 1 34 34 LEU CB C 13 41.625 0.031 . 1 . . 210 . A 34 LEU CB . 30706 1 174 . 1 . 1 34 34 LEU CG C 13 27.926 0.093 . 1 . . 412 . A 34 LEU CG . 30706 1 175 . 1 . 1 34 34 LEU CD1 C 13 25.267 0.049 . 1 . . 414 . A 34 LEU CD1 . 30706 1 176 . 1 . 1 34 34 LEU N N 15 122.107 0.012 . 1 . . 60 . A 34 LEU N . 30706 1 177 . 1 . 1 35 35 ILE H H 1 8.096 0.007 . 1 . . 73 . A 35 ILE H . 30706 1 178 . 1 . 1 35 35 ILE HA H 1 3.319 0.005 . 1 . . 416 . A 35 ILE HA . 30706 1 179 . 1 . 1 35 35 ILE HB H 1 1.746 0.004 . 1 . . 417 . A 35 ILE HB . 30706 1 180 . 1 . 1 35 35 ILE HG12 H 1 1.711 0.014 . 2 . . 419 . A 35 ILE HG12 . 30706 1 181 . 1 . 1 35 35 ILE HG13 H 1 0.864 0.004 . 2 . . 420 . A 35 ILE HG13 . 30706 1 182 . 1 . 1 35 35 ILE HG21 H 1 0.873 0.005 . 1 . . 422 . A 35 ILE HG21 . 30706 1 183 . 1 . 1 35 35 ILE HG22 H 1 0.873 0.005 . 1 . . 422 . A 35 ILE HG22 . 30706 1 184 . 1 . 1 35 35 ILE HG23 H 1 0.873 0.005 . 1 . . 422 . A 35 ILE HG23 . 30706 1 185 . 1 . 1 35 35 ILE HD11 H 1 0.749 0.005 . 1 . . 424 . A 35 ILE HD11 . 30706 1 186 . 1 . 1 35 35 ILE HD12 H 1 0.749 0.005 . 1 . . 424 . A 35 ILE HD12 . 30706 1 187 . 1 . 1 35 35 ILE HD13 H 1 0.749 0.005 . 1 . . 424 . A 35 ILE HD13 . 30706 1 188 . 1 . 1 35 35 ILE CA C 13 66.018 0.015 . 1 . . 213 . A 35 ILE CA . 30706 1 189 . 1 . 1 35 35 ILE CB C 13 38.260 0.016 . 1 . . 212 . A 35 ILE CB . 30706 1 190 . 1 . 1 35 35 ILE CG1 C 13 29.634 0.042 . 1 . . 418 . A 35 ILE CG1 . 30706 1 191 . 1 . 1 35 35 ILE CG2 C 13 17.556 0.055 . 1 . . 421 . A 35 ILE CG2 . 30706 1 192 . 1 . 1 35 35 ILE CD1 C 13 13.073 0.031 . 1 . . 423 . A 35 ILE CD1 . 30706 1 193 . 1 . 1 35 35 ILE N N 15 117.683 0.015 . 1 . . 74 . A 35 ILE N . 30706 1 194 . 1 . 1 36 36 GLU H H 1 8.137 0.004 . 1 . . 79 . A 36 GLU H . 30706 1 195 . 1 . 1 36 36 GLU HA H 1 4.082 0.005 . 1 . . 764 . A 36 GLU HA . 30706 1 196 . 1 . 1 36 36 GLU HB2 H 1 2.197 0.004 . 2 . . 767 . A 36 GLU HB2 . 30706 1 197 . 1 . 1 36 36 GLU HB3 H 1 2.082 0.006 . 2 . . 768 . A 36 GLU HB3 . 30706 1 198 . 1 . 1 36 36 GLU HG2 H 1 2.344 0.006 . 1 . . 766 . A 36 GLU HG2 . 30706 1 199 . 1 . 1 36 36 GLU CA C 13 59.446 0.06 . 1 . . 268 . A 36 GLU CA . 30706 1 200 . 1 . 1 36 36 GLU CB C 13 29.474 0.08 . 1 . . 269 . A 36 GLU CB . 30706 1 201 . 1 . 1 36 36 GLU CG C 13 36.153 0.023 . 1 . . 765 . A 36 GLU CG . 30706 1 202 . 1 . 1 36 36 GLU N N 15 118.772 0.014 . 1 . . 80 . A 36 GLU N . 30706 1 203 . 1 . 1 37 37 GLU H H 1 7.972 0.003 . 1 . . 9 . A 37 GLU H . 30706 1 204 . 1 . 1 37 37 GLU HA H 1 4.106 0.005 . 1 . . 769 . A 37 GLU HA . 30706 1 205 . 1 . 1 37 37 GLU HB2 H 1 1.960 0.008 . 1 . . 774 . A 37 GLU HB2 . 30706 1 206 . 1 . 1 37 37 GLU HG2 H 1 2.487 0.005 . 2 . . 771 . A 37 GLU HG2 . 30706 1 207 . 1 . 1 37 37 GLU HG3 H 1 2.241 0.007 . 2 . . 772 . A 37 GLU HG3 . 30706 1 208 . 1 . 1 37 37 GLU CA C 13 58.864 0.023 . 1 . . 250 . A 37 GLU CA . 30706 1 209 . 1 . 1 37 37 GLU CB C 13 29.357 0.054 . 1 . . 773 . A 37 GLU CB . 30706 1 210 . 1 . 1 37 37 GLU CG C 13 36.081 0.049 . 1 . . 770 . A 37 GLU CG . 30706 1 211 . 1 . 1 37 37 GLU N N 15 118.061 0.021 . 1 . . 10 . A 37 GLU N . 30706 1 212 . 1 . 1 38 38 ALA H H 1 8.472 0.006 . 1 . . 77 . A 38 ALA H . 30706 1 213 . 1 . 1 38 38 ALA HA H 1 3.817 0.002 . 1 . . 425 . A 38 ALA HA . 30706 1 214 . 1 . 1 38 38 ALA HB1 H 1 1.274 0.006 . 1 . . 426 . A 38 ALA HB1 . 30706 1 215 . 1 . 1 38 38 ALA HB2 H 1 1.274 0.006 . 1 . . 426 . A 38 ALA HB2 . 30706 1 216 . 1 . 1 38 38 ALA HB3 H 1 1.274 0.006 . 1 . . 426 . A 38 ALA HB3 . 30706 1 217 . 1 . 1 38 38 ALA CA C 13 55.349 0.036 . 1 . . 319 . A 38 ALA CA . 30706 1 218 . 1 . 1 38 38 ALA CB C 13 18.395 0.037 . 1 . . 202 . A 38 ALA CB . 30706 1 219 . 1 . 1 38 38 ALA N N 15 122.071 0.015 . 1 . . 78 . A 38 ALA N . 30706 1 220 . 1 . 1 39 39 ARG H H 1 8.934 0.004 . 1 . . 13 . A 39 ARG H . 30706 1 221 . 1 . 1 39 39 ARG HA H 1 3.831 0.003 . 1 . . 712 . A 39 ARG HA . 30706 1 222 . 1 . 1 39 39 ARG HB2 H 1 1.958 0.002 . 2 . . 713 . A 39 ARG HB2 . 30706 1 223 . 1 . 1 39 39 ARG HB3 H 1 1.861 0.004 . 2 . . 715 . A 39 ARG HB3 . 30706 1 224 . 1 . 1 39 39 ARG HG2 H 1 1.585 0.006 . 2 . . 717 . A 39 ARG HG2 . 30706 1 225 . 1 . 1 39 39 ARG HG3 H 1 1.739 0.01 . 2 . . 718 . A 39 ARG HG3 . 30706 1 226 . 1 . 1 39 39 ARG HD2 H 1 3.198 0.003 . 1 . . 720 . A 39 ARG HD2 . 30706 1 227 . 1 . 1 39 39 ARG CA C 13 60.153 0.029 . 1 . . 251 . A 39 ARG CA . 30706 1 228 . 1 . 1 39 39 ARG CB C 13 29.670 0.04 . 1 . . 714 . A 39 ARG CB . 30706 1 229 . 1 . 1 39 39 ARG CG C 13 27.410 0.039 . 1 . . 716 . A 39 ARG CG . 30706 1 230 . 1 . 1 39 39 ARG CD C 13 43.274 0.028 . 1 . . 719 . A 39 ARG CD . 30706 1 231 . 1 . 1 39 39 ARG N N 15 119.038 0.008 . 1 . . 14 . A 39 ARG N . 30706 1 232 . 1 . 1 40 40 LYS H H 1 7.816 0.004 . 1 . . 95 . A 40 LYS H . 30706 1 233 . 1 . 1 40 40 LYS HA H 1 4.076 0.004 . 1 . . 887 . A 40 LYS HA . 30706 1 234 . 1 . 1 40 40 LYS HB2 H 1 1.883 0.009 . 2 . . 889 . A 40 LYS HB2 . 30706 1 235 . 1 . 1 40 40 LYS HB3 H 1 1.969 0.005 . 2 . . 893 . A 40 LYS HB3 . 30706 1 236 . 1 . 1 40 40 LYS HG2 H 1 1.707 0.004 . 2 . . 890 . A 40 LYS HG2 . 30706 1 237 . 1 . 1 40 40 LYS HG3 H 1 1.479 0.003 . 2 . . 892 . A 40 LYS HG3 . 30706 1 238 . 1 . 1 40 40 LYS HD2 H 1 1.701 0.001 . 2 . . 895 . A 40 LYS HD2 . 30706 1 239 . 1 . 1 40 40 LYS HD3 H 1 1.729 0.005 . 2 . . 896 . A 40 LYS HD3 . 30706 1 240 . 1 . 1 40 40 LYS HE2 H 1 2.935 0.005 . 1 . . 898 . A 40 LYS HE2 . 30706 1 241 . 1 . 1 40 40 LYS CA C 13 59.577 0.068 . 1 . . 886 . A 40 LYS CA . 30706 1 242 . 1 . 1 40 40 LYS CB C 13 32.514 0.034 . 1 . . 888 . A 40 LYS CB . 30706 1 243 . 1 . 1 40 40 LYS CG C 13 25.491 0.032 . 1 . . 891 . A 40 LYS CG . 30706 1 244 . 1 . 1 40 40 LYS CD C 13 29.283 0.002 . 1 . . 894 . A 40 LYS CD . 30706 1 245 . 1 . 1 40 40 LYS CE C 13 42.039 0.001 . 1 . . 897 . A 40 LYS CE . 30706 1 246 . 1 . 1 40 40 LYS N N 15 118.543 0.021 . 1 . . 96 . A 40 LYS N . 30706 1 247 . 1 . 1 41 41 MET H H 1 7.608 0.004 . 1 . . 99 . A 41 MET H . 30706 1 248 . 1 . 1 41 41 MET HA H 1 4.412 0.003 . 1 . . 428 . A 41 MET HA . 30706 1 249 . 1 . 1 41 41 MET HB2 H 1 2.862 0.002 . 2 . . 430 . A 41 MET HB2 . 30706 1 250 . 1 . 1 41 41 MET HB3 H 1 2.518 0.002 . 2 . . 431 . A 41 MET HB3 . 30706 1 251 . 1 . 1 41 41 MET HG2 H 1 2.091 0.006 . 1 . . 433 . A 41 MET HG2 . 30706 1 252 . 1 . 1 41 41 MET CA C 13 57.265 0.044 . 1 . . 427 . A 41 MET CA . 30706 1 253 . 1 . 1 41 41 MET CB C 13 32.453 0.06 . 1 . . 429 . A 41 MET CB . 30706 1 254 . 1 . 1 41 41 MET CG C 13 32.485 0.038 . 1 . . 432 . A 41 MET CG . 30706 1 255 . 1 . 1 41 41 MET N N 15 117.453 0.012 . 1 . . 100 . A 41 MET N . 30706 1 256 . 1 . 1 42 42 ALA H H 1 8.886 0.002 . 1 . . 51 . A 42 ALA H . 30706 1 257 . 1 . 1 42 42 ALA HA H 1 3.920 0.007 . 1 . . 435 . A 42 ALA HA . 30706 1 258 . 1 . 1 42 42 ALA HB1 H 1 1.488 0.004 . 1 . . 436 . A 42 ALA HB1 . 30706 1 259 . 1 . 1 42 42 ALA HB2 H 1 1.488 0.004 . 1 . . 436 . A 42 ALA HB2 . 30706 1 260 . 1 . 1 42 42 ALA HB3 H 1 1.488 0.004 . 1 . . 436 . A 42 ALA HB3 . 30706 1 261 . 1 . 1 42 42 ALA CA C 13 55.425 0.042 . 1 . . 434 . A 42 ALA CA . 30706 1 262 . 1 . 1 42 42 ALA CB C 13 18.520 0.031 . 1 . . 220 . A 42 ALA CB . 30706 1 263 . 1 . 1 42 42 ALA N N 15 122.162 0.012 . 1 . . 52 . A 42 ALA N . 30706 1 264 . 1 . 1 43 43 GLU H H 1 8.261 0.003 . 1 . . 137 . A 43 GLU H . 30706 1 265 . 1 . 1 43 43 GLU HA H 1 4.190 0.004 . 1 . . 775 . A 43 GLU HA . 30706 1 266 . 1 . 1 43 43 GLU HB2 H 1 2.172 0.007 . 2 . . 779 . A 43 GLU HB2 . 30706 1 267 . 1 . 1 43 43 GLU HB3 H 1 2.115 0.005 . 2 . . 781 . A 43 GLU HB3 . 30706 1 268 . 1 . 1 43 43 GLU HG2 H 1 2.512 0.002 . 2 . . 777 . A 43 GLU HG2 . 30706 1 269 . 1 . 1 43 43 GLU HG3 H 1 2.306 0.004 . 2 . . 778 . A 43 GLU HG3 . 30706 1 270 . 1 . 1 43 43 GLU CA C 13 59.148 0.059 . 1 . . 243 . A 43 GLU CA . 30706 1 271 . 1 . 1 43 43 GLU CB C 13 29.555 0.034 . 1 . . 780 . A 43 GLU CB . 30706 1 272 . 1 . 1 43 43 GLU CG C 13 36.682 0.024 . 1 . . 776 . A 43 GLU CG . 30706 1 273 . 1 . 1 43 43 GLU N N 15 116.844 0.014 . 1 . . 138 . A 43 GLU N . 30706 1 274 . 1 . 1 44 44 LYS H H 1 7.502 0.005 . 1 . . 39 . A 44 LYS H . 30706 1 275 . 1 . 1 44 44 LYS HA H 1 4.173 0.002 . 1 . . 902 . A 44 LYS HA . 30706 1 276 . 1 . 1 44 44 LYS HB2 H 1 1.997 0.005 . 2 . . 900 . A 44 LYS HB2 . 30706 1 277 . 1 . 1 44 44 LYS HB3 H 1 1.977 0.004 . 2 . . 901 . A 44 LYS HB3 . 30706 1 278 . 1 . 1 44 44 LYS HG2 H 1 1.531 0.003 . 2 . . 906 . A 44 LYS HG2 . 30706 1 279 . 1 . 1 44 44 LYS HG3 H 1 1.620 0.003 . 2 . . 908 . A 44 LYS HG3 . 30706 1 280 . 1 . 1 44 44 LYS HD2 H 1 1.719 0.002 . 2 . . 904 . A 44 LYS HD2 . 30706 1 281 . 1 . 1 44 44 LYS HD3 H 1 1.690 0.005 . 2 . . 905 . A 44 LYS HD3 . 30706 1 282 . 1 . 1 44 44 LYS HE2 H 1 3.003 0.001 . 1 . . 910 . A 44 LYS HE2 . 30706 1 283 . 1 . 1 44 44 LYS CA C 13 58.500 0.041 . 1 . . 320 . A 44 LYS CA . 30706 1 284 . 1 . 1 44 44 LYS CB C 13 32.633 0.017 . 1 . . 899 . A 44 LYS CB . 30706 1 285 . 1 . 1 44 44 LYS CG C 13 25.436 0.002 . 1 . . 907 . A 44 LYS CG . 30706 1 286 . 1 . 1 44 44 LYS CD C 13 29.323 0.008 . 1 . . 903 . A 44 LYS CD . 30706 1 287 . 1 . 1 44 44 LYS CE C 13 42.080 0.004 . 1 . . 909 . A 44 LYS CE . 30706 1 288 . 1 . 1 44 44 LYS N N 15 119.027 0.011 . 1 . . 40 . A 44 LYS N . 30706 1 289 . 1 . 1 45 45 ALA H H 1 7.692 0.002 . 1 . . 61 . A 45 ALA H . 30706 1 290 . 1 . 1 45 45 ALA HA H 1 4.519 0.004 . 1 . . 437 . A 45 ALA HA . 30706 1 291 . 1 . 1 45 45 ALA HB1 H 1 1.381 0.005 . 1 . . 438 . A 45 ALA HB1 . 30706 1 292 . 1 . 1 45 45 ALA HB2 H 1 1.381 0.005 . 1 . . 438 . A 45 ALA HB2 . 30706 1 293 . 1 . 1 45 45 ALA HB3 H 1 1.381 0.005 . 1 . . 438 . A 45 ALA HB3 . 30706 1 294 . 1 . 1 45 45 ALA CA C 13 51.380 0.05 . 1 . . 219 . A 45 ALA CA . 30706 1 295 . 1 . 1 45 45 ALA CB C 13 19.147 0.049 . 1 . . 218 . A 45 ALA CB . 30706 1 296 . 1 . 1 45 45 ALA N N 15 118.944 0.012 . 1 . . 62 . A 45 ALA N . 30706 1 297 . 1 . 1 46 46 ASN H H 1 7.854 0.003 . 1 . . 133 . A 46 ASN H . 30706 1 298 . 1 . 1 46 46 ASN HA H 1 4.426 0.002 . 1 . . 439 . A 46 ASN HA . 30706 1 299 . 1 . 1 46 46 ASN HB2 H 1 3.120 0.002 . 2 . . 440 . A 46 ASN HB2 . 30706 1 300 . 1 . 1 46 46 ASN HB3 H 1 2.769 0.004 . 2 . . 441 . A 46 ASN HB3 . 30706 1 301 . 1 . 1 46 46 ASN HD21 H 1 6.791 0.002 . 1 . . 1065 . A 46 ASN HD21 . 30706 1 302 . 1 . 1 46 46 ASN HD22 H 1 7.526 0.003 . 1 . . 1067 . A 46 ASN HD22 . 30706 1 303 . 1 . 1 46 46 ASN CA C 13 54.423 0.048 . 1 . . 229 . A 46 ASN CA . 30706 1 304 . 1 . 1 46 46 ASN CB C 13 37.110 0.032 . 1 . . 230 . A 46 ASN CB . 30706 1 305 . 1 . 1 46 46 ASN N N 15 115.628 0.007 . 1 . . 134 . A 46 ASN N . 30706 1 306 . 1 . 1 46 46 ASN ND2 N 15 112.438 0.013 . 1 . . 1066 . A 46 ASN ND2 . 30706 1 307 . 1 . 1 47 47 LEU H H 1 8.258 0.003 . 1 . . 163 . A 47 LEU H . 30706 1 308 . 1 . 1 47 47 LEU HA H 1 4.707 0.004 . 1 . . 442 . A 47 LEU HA . 30706 1 309 . 1 . 1 47 47 LEU HB2 H 1 1.495 0.003 . 2 . . 444 . A 47 LEU HB2 . 30706 1 310 . 1 . 1 47 47 LEU HB3 H 1 1.392 0.003 . 2 . . 445 . A 47 LEU HB3 . 30706 1 311 . 1 . 1 47 47 LEU HG H 1 1.679 0.004 . 1 . . 447 . A 47 LEU HG . 30706 1 312 . 1 . 1 47 47 LEU HD11 H 1 0.808 0.005 . 2 . . 449 . A 47 LEU HD11 . 30706 1 313 . 1 . 1 47 47 LEU HD12 H 1 0.808 0.005 . 2 . . 449 . A 47 LEU HD12 . 30706 1 314 . 1 . 1 47 47 LEU HD13 H 1 0.808 0.005 . 2 . . 449 . A 47 LEU HD13 . 30706 1 315 . 1 . 1 47 47 LEU HD21 H 1 0.794 0.003 . 2 . . 451 . A 47 LEU HD21 . 30706 1 316 . 1 . 1 47 47 LEU HD22 H 1 0.794 0.003 . 2 . . 451 . A 47 LEU HD22 . 30706 1 317 . 1 . 1 47 47 LEU HD23 H 1 0.794 0.003 . 2 . . 451 . A 47 LEU HD23 . 30706 1 318 . 1 . 1 47 47 LEU CA C 13 53.231 0.049 . 1 . . 267 . A 47 LEU CA . 30706 1 319 . 1 . 1 47 47 LEU CB C 13 43.801 0.026 . 1 . . 443 . A 47 LEU CB . 30706 1 320 . 1 . 1 47 47 LEU CG C 13 26.801 0.064 . 1 . . 446 . A 47 LEU CG . 30706 1 321 . 1 . 1 47 47 LEU CD1 C 13 26.677 0.05 . 2 . . 448 . A 47 LEU CD1 . 30706 1 322 . 1 . 1 47 47 LEU CD2 C 13 25.439 0.025 . 2 . . 450 . A 47 LEU CD2 . 30706 1 323 . 1 . 1 47 47 LEU N N 15 116.706 0.025 . 1 . . 164 . A 47 LEU N . 30706 1 324 . 1 . 1 48 48 ILE H H 1 7.898 0.004 . 1 . . 3 . A 48 ILE H . 30706 1 325 . 1 . 1 48 48 ILE HA H 1 4.063 0.003 . 1 . . 452 . A 48 ILE HA . 30706 1 326 . 1 . 1 48 48 ILE HB H 1 1.613 0.003 . 1 . . 453 . A 48 ILE HB . 30706 1 327 . 1 . 1 48 48 ILE HG12 H 1 1.392 0.004 . 2 . . 455 . A 48 ILE HG12 . 30706 1 328 . 1 . 1 48 48 ILE HG13 H 1 0.970 0.006 . 2 . . 456 . A 48 ILE HG13 . 30706 1 329 . 1 . 1 48 48 ILE HG21 H 1 0.961 0.002 . 1 . . 458 . A 48 ILE HG21 . 30706 1 330 . 1 . 1 48 48 ILE HG22 H 1 0.961 0.002 . 1 . . 458 . A 48 ILE HG22 . 30706 1 331 . 1 . 1 48 48 ILE HG23 H 1 0.961 0.002 . 1 . . 458 . A 48 ILE HG23 . 30706 1 332 . 1 . 1 48 48 ILE HD11 H 1 0.591 0.002 . 1 . . 460 . A 48 ILE HD11 . 30706 1 333 . 1 . 1 48 48 ILE HD12 H 1 0.591 0.002 . 1 . . 460 . A 48 ILE HD12 . 30706 1 334 . 1 . 1 48 48 ILE HD13 H 1 0.591 0.002 . 1 . . 460 . A 48 ILE HD13 . 30706 1 335 . 1 . 1 48 48 ILE CA C 13 61.549 0.044 . 1 . . 234 . A 48 ILE CA . 30706 1 336 . 1 . 1 48 48 ILE CB C 13 38.017 0.043 . 1 . . 235 . A 48 ILE CB . 30706 1 337 . 1 . 1 48 48 ILE CG1 C 13 27.678 0.043 . 1 . . 454 . A 48 ILE CG1 . 30706 1 338 . 1 . 1 48 48 ILE CG2 C 13 17.427 0.034 . 1 . . 457 . A 48 ILE CG2 . 30706 1 339 . 1 . 1 48 48 ILE CD1 C 13 13.007 0.012 . 1 . . 459 . A 48 ILE CD1 . 30706 1 340 . 1 . 1 48 48 ILE N N 15 122.620 0.012 . 1 . . 4 . A 48 ILE N . 30706 1 341 . 1 . 1 49 49 LEU H H 1 8.424 0.004 . 1 . . 7 . A 49 LEU H . 30706 1 342 . 1 . 1 49 49 LEU HA H 1 5.571 0.003 . 1 . . 462 . A 49 LEU HA . 30706 1 343 . 1 . 1 49 49 LEU HB2 H 1 1.838 0.004 . 2 . . 463 . A 49 LEU HB2 . 30706 1 344 . 1 . 1 49 49 LEU HB3 H 1 1.051 0.004 . 2 . . 464 . A 49 LEU HB3 . 30706 1 345 . 1 . 1 49 49 LEU HG H 1 1.411 0.006 . 1 . . 466 . A 49 LEU HG . 30706 1 346 . 1 . 1 49 49 LEU HD11 H 1 0.754 0.006 . 2 . . 468 . A 49 LEU HD11 . 30706 1 347 . 1 . 1 49 49 LEU HD12 H 1 0.754 0.006 . 2 . . 468 . A 49 LEU HD12 . 30706 1 348 . 1 . 1 49 49 LEU HD13 H 1 0.754 0.006 . 2 . . 468 . A 49 LEU HD13 . 30706 1 349 . 1 . 1 49 49 LEU HD21 H 1 0.749 0.003 . 2 . . 470 . A 49 LEU HD21 . 30706 1 350 . 1 . 1 49 49 LEU HD22 H 1 0.749 0.003 . 2 . . 470 . A 49 LEU HD22 . 30706 1 351 . 1 . 1 49 49 LEU HD23 H 1 0.749 0.003 . 2 . . 470 . A 49 LEU HD23 . 30706 1 352 . 1 . 1 49 49 LEU CA C 13 53.325 0.035 . 1 . . 461 . A 49 LEU CA . 30706 1 353 . 1 . 1 49 49 LEU CB C 13 44.523 0.021 . 1 . . 245 . A 49 LEU CB . 30706 1 354 . 1 . 1 49 49 LEU CG C 13 27.629 0.025 . 1 . . 465 . A 49 LEU CG . 30706 1 355 . 1 . 1 49 49 LEU CD1 C 13 26.005 0.026 . 2 . . 467 . A 49 LEU CD1 . 30706 1 356 . 1 . 1 49 49 LEU CD2 C 13 25.140 0.016 . 2 . . 469 . A 49 LEU CD2 . 30706 1 357 . 1 . 1 49 49 LEU N N 15 130.072 0.008 . 1 . . 8 . A 49 LEU N . 30706 1 358 . 1 . 1 50 50 ILE H H 1 9.398 0.003 . 1 . . 49 . A 50 ILE H . 30706 1 359 . 1 . 1 50 50 ILE HA H 1 4.423 0.004 . 1 . . 471 . A 50 ILE HA . 30706 1 360 . 1 . 1 50 50 ILE HB H 1 1.745 0.004 . 1 . . 473 . A 50 ILE HB . 30706 1 361 . 1 . 1 50 50 ILE HG12 H 1 1.586 0.003 . 2 . . 475 . A 50 ILE HG12 . 30706 1 362 . 1 . 1 50 50 ILE HG13 H 1 1.122 0.002 . 2 . . 476 . A 50 ILE HG13 . 30706 1 363 . 1 . 1 50 50 ILE HG21 H 1 0.873 0.003 . 1 . . 478 . A 50 ILE HG21 . 30706 1 364 . 1 . 1 50 50 ILE HG22 H 1 0.873 0.003 . 1 . . 478 . A 50 ILE HG22 . 30706 1 365 . 1 . 1 50 50 ILE HG23 H 1 0.873 0.003 . 1 . . 478 . A 50 ILE HG23 . 30706 1 366 . 1 . 1 50 50 ILE HD11 H 1 0.844 0.005 . 1 . . 480 . A 50 ILE HD11 . 30706 1 367 . 1 . 1 50 50 ILE HD12 H 1 0.844 0.005 . 1 . . 480 . A 50 ILE HD12 . 30706 1 368 . 1 . 1 50 50 ILE HD13 H 1 0.844 0.005 . 1 . . 480 . A 50 ILE HD13 . 30706 1 369 . 1 . 1 50 50 ILE CA C 13 60.888 0.069 . 1 . . 321 . A 50 ILE CA . 30706 1 370 . 1 . 1 50 50 ILE CB C 13 41.352 0.025 . 1 . . 472 . A 50 ILE CB . 30706 1 371 . 1 . 1 50 50 ILE CG1 C 13 27.365 0.037 . 1 . . 474 . A 50 ILE CG1 . 30706 1 372 . 1 . 1 50 50 ILE CG2 C 13 17.333 0.021 . 1 . . 477 . A 50 ILE CG2 . 30706 1 373 . 1 . 1 50 50 ILE CD1 C 13 12.956 0.008 . 1 . . 479 . A 50 ILE CD1 . 30706 1 374 . 1 . 1 50 50 ILE N N 15 129.618 0.01 . 1 . . 50 . A 50 ILE N . 30706 1 375 . 1 . 1 51 51 THR H H 1 8.475 0.004 . 1 . . 69 . A 51 THR H . 30706 1 376 . 1 . 1 51 51 THR HA H 1 5.061 0.003 . 1 . . 481 . A 51 THR HA . 30706 1 377 . 1 . 1 51 51 THR HB H 1 4.237 0.004 . 1 . . 482 . A 51 THR HB . 30706 1 378 . 1 . 1 51 51 THR HG21 H 1 1.131 0.002 . 1 . . 484 . A 51 THR HG21 . 30706 1 379 . 1 . 1 51 51 THR HG22 H 1 1.131 0.002 . 1 . . 484 . A 51 THR HG22 . 30706 1 380 . 1 . 1 51 51 THR HG23 H 1 1.131 0.002 . 1 . . 484 . A 51 THR HG23 . 30706 1 381 . 1 . 1 51 51 THR CA C 13 60.007 0.065 . 1 . . 259 . A 51 THR CA . 30706 1 382 . 1 . 1 51 51 THR CB C 13 69.496 0.008 . 1 . . 260 . A 51 THR CB . 30706 1 383 . 1 . 1 51 51 THR CG2 C 13 21.958 0.016 . 1 . . 483 . A 51 THR CG2 . 30706 1 384 . 1 . 1 51 51 THR N N 15 118.819 0.007 . 1 . . 70 . A 51 THR N . 30706 1 385 . 1 . 1 52 52 VAL H H 1 8.812 0.005 . 1 . . 157 . A 52 VAL H . 30706 1 386 . 1 . 1 52 52 VAL HA H 1 4.696 0.001 . 1 . . 486 . A 52 VAL HA . 30706 1 387 . 1 . 1 52 52 VAL HB H 1 2.144 0.004 . 1 . . 485 . A 52 VAL HB . 30706 1 388 . 1 . 1 52 52 VAL HG11 H 1 0.799 0.003 . 2 . . 488 . A 52 VAL HG11 . 30706 1 389 . 1 . 1 52 52 VAL HG12 H 1 0.799 0.003 . 2 . . 488 . A 52 VAL HG12 . 30706 1 390 . 1 . 1 52 52 VAL HG13 H 1 0.799 0.003 . 2 . . 488 . A 52 VAL HG13 . 30706 1 391 . 1 . 1 52 52 VAL HG21 H 1 0.678 0.005 . 2 . . 490 . A 52 VAL HG21 . 30706 1 392 . 1 . 1 52 52 VAL HG22 H 1 0.678 0.005 . 2 . . 490 . A 52 VAL HG22 . 30706 1 393 . 1 . 1 52 52 VAL HG23 H 1 0.678 0.005 . 2 . . 490 . A 52 VAL HG23 . 30706 1 394 . 1 . 1 52 52 VAL CA C 13 59.253 0.066 . 1 . . 276 . A 52 VAL CA . 30706 1 395 . 1 . 1 52 52 VAL CB C 13 35.701 0.045 . 1 . . 275 . A 52 VAL CB . 30706 1 396 . 1 . 1 52 52 VAL CG1 C 13 23.134 0.015 . 2 . . 487 . A 52 VAL CG1 . 30706 1 397 . 1 . 1 52 52 VAL CG2 C 13 19.179 0.008 . 2 . . 489 . A 52 VAL CG2 . 30706 1 398 . 1 . 1 52 52 VAL N N 15 116.707 0.005 . 1 . . 158 . A 52 VAL N . 30706 1 399 . 1 . 1 53 53 GLY H H 1 8.726 0.002 . 1 . . 119 . A 53 GLY H . 30706 1 400 . 1 . 1 53 53 GLY HA2 H 1 4.336 0.004 . 2 . . 491 . A 53 GLY HA2 . 30706 1 401 . 1 . 1 53 53 GLY HA3 H 1 3.718 0.005 . 2 . . 492 . A 53 GLY HA3 . 30706 1 402 . 1 . 1 53 53 GLY CA C 13 45.242 0.045 . 1 . . 300 . A 53 GLY CA . 30706 1 403 . 1 . 1 53 53 GLY N N 15 105.403 0.009 . 1 . . 120 . A 53 GLY N . 30706 1 404 . 1 . 1 54 54 ASP H H 1 7.353 0.003 . 1 . . 159 . A 54 ASP H . 30706 1 405 . 1 . 1 54 54 ASP HA H 1 4.617 0.003 . 1 . . 493 . A 54 ASP HA . 30706 1 406 . 1 . 1 54 54 ASP HB2 H 1 3.011 0.006 . 2 . . 494 . A 54 ASP HB2 . 30706 1 407 . 1 . 1 54 54 ASP HB3 H 1 2.935 0.005 . 2 . . 495 . A 54 ASP HB3 . 30706 1 408 . 1 . 1 54 54 ASP CA C 13 53.329 0.039 . 1 . . 239 . A 54 ASP CA . 30706 1 409 . 1 . 1 54 54 ASP CB C 13 42.609 0.014 . 1 . . 238 . A 54 ASP CB . 30706 1 410 . 1 . 1 54 54 ASP N N 15 114.912 0.008 . 1 . . 160 . A 54 ASP N . 30706 1 411 . 1 . 1 55 55 GLU H H 1 8.874 0.005 . 1 . . 21 . A 55 GLU H . 30706 1 412 . 1 . 1 55 55 GLU HA H 1 3.870 0.006 . 1 . . 783 . A 55 GLU HA . 30706 1 413 . 1 . 1 55 55 GLU HB2 H 1 2.111 0.005 . 1 . . 786 . A 55 GLU HB2 . 30706 1 414 . 1 . 1 55 55 GLU HG2 H 1 2.276 0.003 . 1 . . 785 . A 55 GLU HG2 . 30706 1 415 . 1 . 1 55 55 GLU CA C 13 60.136 0.002 . 1 . . 782 . A 55 GLU CA . 30706 1 416 . 1 . 1 55 55 GLU CB C 13 30.133 0.025 . 1 . . 274 . A 55 GLU CB . 30706 1 417 . 1 . 1 55 55 GLU CG C 13 37.318 0.021 . 1 . . 784 . A 55 GLU CG . 30706 1 418 . 1 . 1 55 55 GLU N N 15 119.051 0.002 . 1 . . 22 . A 55 GLU N . 30706 1 419 . 1 . 1 56 56 GLU H H 1 8.392 0.002 . 1 . . 105 . A 56 GLU H . 30706 1 420 . 1 . 1 56 56 GLU HA H 1 4.094 0.004 . 1 . . 790 . A 56 GLU HA . 30706 1 421 . 1 . 1 56 56 GLU HB2 H 1 2.137 0.001 . 2 . . 791 . A 56 GLU HB2 . 30706 1 422 . 1 . 1 56 56 GLU HB3 H 1 2.082 0.001 . 2 . . 793 . A 56 GLU HB3 . 30706 1 423 . 1 . 1 56 56 GLU HG2 H 1 2.314 0.003 . 1 . . 788 . A 56 GLU HG2 . 30706 1 424 . 1 . 1 56 56 GLU CA C 13 59.316 0.04 . 1 . . 789 . A 56 GLU CA . 30706 1 425 . 1 . 1 56 56 GLU CB C 13 28.755 0.047 . 1 . . 792 . A 56 GLU CB . 30706 1 426 . 1 . 1 56 56 GLU CG C 13 36.195 0.032 . 1 . . 787 . A 56 GLU CG . 30706 1 427 . 1 . 1 56 56 GLU N N 15 121.662 0.01 . 1 . . 106 . A 56 GLU N . 30706 1 428 . 1 . 1 57 57 GLU H H 1 8.863 0.001 . 1 . . 23 . A 57 GLU H . 30706 1 429 . 1 . 1 57 57 GLU HA H 1 3.989 0.002 . 1 . . 795 . A 57 GLU HA . 30706 1 430 . 1 . 1 57 57 GLU HB2 H 1 2.112 0.006 . 1 . . 800 . A 57 GLU HB2 . 30706 1 431 . 1 . 1 57 57 GLU HG2 H 1 2.620 0.002 . 2 . . 797 . A 57 GLU HG2 . 30706 1 432 . 1 . 1 57 57 GLU HG3 H 1 2.366 0.006 . 2 . . 798 . A 57 GLU HG3 . 30706 1 433 . 1 . 1 57 57 GLU CA C 13 58.861 0.015 . 1 . . 794 . A 57 GLU CA . 30706 1 434 . 1 . 1 57 57 GLU CB C 13 30.211 0.014 . 1 . . 799 . A 57 GLU CB . 30706 1 435 . 1 . 1 57 57 GLU CG C 13 36.792 0.027 . 1 . . 796 . A 57 GLU CG . 30706 1 436 . 1 . 1 57 57 GLU N N 15 120.859 0.01 . 1 . . 24 . A 57 GLU N . 30706 1 437 . 1 . 1 58 58 LEU H H 1 8.112 0.002 . 1 . . 63 . A 58 LEU H . 30706 1 438 . 1 . 1 58 58 LEU HA H 1 3.990 0.003 . 1 . . 496 . A 58 LEU HA . 30706 1 439 . 1 . 1 58 58 LEU HB2 H 1 2.237 0.004 . 2 . . 497 . A 58 LEU HB2 . 30706 1 440 . 1 . 1 58 58 LEU HB3 H 1 1.502 0.005 . 2 . . 498 . A 58 LEU HB3 . 30706 1 441 . 1 . 1 58 58 LEU HG H 1 1.515 0.004 . 1 . . 500 . A 58 LEU HG . 30706 1 442 . 1 . 1 58 58 LEU HD11 H 1 0.960 0.004 . 2 . . 502 . A 58 LEU HD11 . 30706 1 443 . 1 . 1 58 58 LEU HD12 H 1 0.960 0.004 . 2 . . 502 . A 58 LEU HD12 . 30706 1 444 . 1 . 1 58 58 LEU HD13 H 1 0.960 0.004 . 2 . . 502 . A 58 LEU HD13 . 30706 1 445 . 1 . 1 58 58 LEU HD21 H 1 0.839 0.007 . 2 . . 504 . A 58 LEU HD21 . 30706 1 446 . 1 . 1 58 58 LEU HD22 H 1 0.839 0.007 . 2 . . 504 . A 58 LEU HD22 . 30706 1 447 . 1 . 1 58 58 LEU HD23 H 1 0.839 0.007 . 2 . . 504 . A 58 LEU HD23 . 30706 1 448 . 1 . 1 58 58 LEU CA C 13 58.852 0.019 . 1 . . 240 . A 58 LEU CA . 30706 1 449 . 1 . 1 58 58 LEU CB C 13 41.369 0.017 . 1 . . 241 . A 58 LEU CB . 30706 1 450 . 1 . 1 58 58 LEU CG C 13 27.030 0.04 . 1 . . 499 . A 58 LEU CG . 30706 1 451 . 1 . 1 58 58 LEU CD1 C 13 26.622 0.053 . 2 . . 501 . A 58 LEU CD1 . 30706 1 452 . 1 . 1 58 58 LEU CD2 C 13 23.749 0.003 . 2 . . 503 . A 58 LEU CD2 . 30706 1 453 . 1 . 1 58 58 LEU N N 15 120.699 0.015 . 1 . . 64 . A 58 LEU N . 30706 1 454 . 1 . 1 59 59 LYS H H 1 7.665 0.002 . 1 . . 25 . A 59 LYS H . 30706 1 455 . 1 . 1 59 59 LYS HA H 1 3.451 0.001 . 1 . . 911 . A 59 LYS HA . 30706 1 456 . 1 . 1 59 59 LYS HB2 H 1 1.396 0.003 . 2 . . 912 . A 59 LYS HB2 . 30706 1 457 . 1 . 1 59 59 LYS HB3 H 1 1.593 0.002 . 2 . . 913 . A 59 LYS HB3 . 30706 1 458 . 1 . 1 59 59 LYS HG2 H 1 1.038 0.002 . 2 . . 915 . A 59 LYS HG2 . 30706 1 459 . 1 . 1 59 59 LYS HG3 H 1 0.696 0.004 . 2 . . 916 . A 59 LYS HG3 . 30706 1 460 . 1 . 1 59 59 LYS HD2 H 1 1.433 0.006 . 2 . . 918 . A 59 LYS HD2 . 30706 1 461 . 1 . 1 59 59 LYS HD3 H 1 1.482 0.004 . 2 . . 919 . A 59 LYS HD3 . 30706 1 462 . 1 . 1 59 59 LYS HE2 H 1 2.674 0.005 . 2 . . 921 . A 59 LYS HE2 . 30706 1 463 . 1 . 1 59 59 LYS HE3 H 1 2.653 0.008 . 2 . . 922 . A 59 LYS HE3 . 30706 1 464 . 1 . 1 59 59 LYS CA C 13 60.581 0.049 . 1 . . 256 . A 59 LYS CA . 30706 1 465 . 1 . 1 59 59 LYS CB C 13 32.036 0.03 . 1 . . 257 . A 59 LYS CB . 30706 1 466 . 1 . 1 59 59 LYS CG C 13 25.367 0.022 . 1 . . 914 . A 59 LYS CG . 30706 1 467 . 1 . 1 59 59 LYS CD C 13 29.840 0.025 . 1 . . 917 . A 59 LYS CD . 30706 1 468 . 1 . 1 59 59 LYS CE C 13 41.802 0.034 . 1 . . 920 . A 59 LYS CE . 30706 1 469 . 1 . 1 59 59 LYS N N 15 118.010 0.01 . 1 . . 26 . A 59 LYS N . 30706 1 470 . 1 . 1 60 60 LYS H H 1 7.380 0.003 . 1 . . 129 . A 60 LYS H . 30706 1 471 . 1 . 1 60 60 LYS HA H 1 3.897 0.003 . 1 . . 927 . A 60 LYS HA . 30706 1 472 . 1 . 1 60 60 LYS HB2 H 1 1.841 0.007 . 2 . . 924 . A 60 LYS HB2 . 30706 1 473 . 1 . 1 60 60 LYS HB3 H 1 1.872 0.009 . 2 . . 925 . A 60 LYS HB3 . 30706 1 474 . 1 . 1 60 60 LYS HG2 H 1 1.407 0.004 . 2 . . 929 . A 60 LYS HG2 . 30706 1 475 . 1 . 1 60 60 LYS HG3 H 1 1.605 0.003 . 2 . . 930 . A 60 LYS HG3 . 30706 1 476 . 1 . 1 60 60 LYS HD2 H 1 1.679 0.007 . 1 . . 932 . A 60 LYS HD2 . 30706 1 477 . 1 . 1 60 60 LYS HE2 H 1 2.956 0.004 . 1 . . 934 . A 60 LYS HE2 . 30706 1 478 . 1 . 1 60 60 LYS CA C 13 59.550 0.044 . 1 . . 926 . A 60 LYS CA . 30706 1 479 . 1 . 1 60 60 LYS CB C 13 32.585 0.021 . 1 . . 923 . A 60 LYS CB . 30706 1 480 . 1 . 1 60 60 LYS CG C 13 25.685 0.037 . 1 . . 928 . A 60 LYS CG . 30706 1 481 . 1 . 1 60 60 LYS CD C 13 29.500 0.011 . 1 . . 931 . A 60 LYS CD . 30706 1 482 . 1 . 1 60 60 LYS CE C 13 42.030 0.002 . 1 . . 933 . A 60 LYS CE . 30706 1 483 . 1 . 1 60 60 LYS N N 15 116.958 0.013 . 1 . . 130 . A 60 LYS N . 30706 1 484 . 1 . 1 61 61 ALA H H 1 8.355 0.006 . 1 . . 171 . A 61 ALA H . 30706 1 485 . 1 . 1 61 61 ALA HA H 1 4.111 0.009 . 1 . . 505 . A 61 ALA HA . 30706 1 486 . 1 . 1 61 61 ALA HB1 H 1 1.453 0.007 . 1 . . 506 . A 61 ALA HB1 . 30706 1 487 . 1 . 1 61 61 ALA HB2 H 1 1.453 0.007 . 1 . . 506 . A 61 ALA HB2 . 30706 1 488 . 1 . 1 61 61 ALA HB3 H 1 1.453 0.007 . 1 . . 506 . A 61 ALA HB3 . 30706 1 489 . 1 . 1 61 61 ALA CA C 13 55.058 0.101 . 1 . . 206 . A 61 ALA CA . 30706 1 490 . 1 . 1 61 61 ALA CB C 13 19.190 0.028 . 1 . . 205 . A 61 ALA CB . 30706 1 491 . 1 . 1 61 61 ALA N N 15 123.549 0.025 . 1 . . 172 . A 61 ALA N . 30706 1 492 . 1 . 1 62 62 ILE H H 1 8.140 0.003 . 1 . . 27 . A 62 ILE H . 30706 1 493 . 1 . 1 62 62 ILE HA H 1 3.232 0.006 . 1 . . 510 . A 62 ILE HA . 30706 1 494 . 1 . 1 62 62 ILE HB H 1 1.757 0.005 . 1 . . 508 . A 62 ILE HB . 30706 1 495 . 1 . 1 62 62 ILE HG12 H 1 1.868 0.005 . 2 . . 512 . A 62 ILE HG12 . 30706 1 496 . 1 . 1 62 62 ILE HG13 H 1 0.502 0.007 . 2 . . 513 . A 62 ILE HG13 . 30706 1 497 . 1 . 1 62 62 ILE HG21 H 1 0.755 0.008 . 1 . . 515 . A 62 ILE HG21 . 30706 1 498 . 1 . 1 62 62 ILE HG22 H 1 0.755 0.008 . 1 . . 515 . A 62 ILE HG22 . 30706 1 499 . 1 . 1 62 62 ILE HG23 H 1 0.755 0.008 . 1 . . 515 . A 62 ILE HG23 . 30706 1 500 . 1 . 1 62 62 ILE HD11 H 1 0.813 0.002 . 1 . . 517 . A 62 ILE HD11 . 30706 1 501 . 1 . 1 62 62 ILE HD12 H 1 0.813 0.002 . 1 . . 517 . A 62 ILE HD12 . 30706 1 502 . 1 . 1 62 62 ILE HD13 H 1 0.813 0.002 . 1 . . 517 . A 62 ILE HD13 . 30706 1 503 . 1 . 1 62 62 ILE CA C 13 66.099 0.014 . 1 . . 509 . A 62 ILE CA . 30706 1 504 . 1 . 1 62 62 ILE CB C 13 38.262 0.032 . 1 . . 507 . A 62 ILE CB . 30706 1 505 . 1 . 1 62 62 ILE CG1 C 13 29.782 0.031 . 1 . . 511 . A 62 ILE CG1 . 30706 1 506 . 1 . 1 62 62 ILE CG2 C 13 19.042 0.016 . 1 . . 514 . A 62 ILE CG2 . 30706 1 507 . 1 . 1 62 62 ILE CD1 C 13 16.068 0.006 . 1 . . 516 . A 62 ILE CD1 . 30706 1 508 . 1 . 1 62 62 ILE N N 15 119.719 0.021 . 1 . . 28 . A 62 ILE N . 30706 1 509 . 1 . 1 63 63 LYS H H 1 7.162 0.004 . 1 . . 83 . A 63 LYS H . 30706 1 510 . 1 . 1 63 63 LYS HA H 1 4.114 0.01 . 1 . . 936 . A 63 LYS HA . 30706 1 511 . 1 . 1 63 63 LYS HB2 H 1 1.916 0.006 . 1 . . 937 . A 63 LYS HB2 . 30706 1 512 . 1 . 1 63 63 LYS HG2 H 1 1.610 0.006 . 1 . . 939 . A 63 LYS HG2 . 30706 1 513 . 1 . 1 63 63 LYS HD2 H 1 1.748 0.002 . 1 . . 941 . A 63 LYS HD2 . 30706 1 514 . 1 . 1 63 63 LYS HE2 H 1 2.964 0.009 . 1 . . 943 . A 63 LYS HE2 . 30706 1 515 . 1 . 1 63 63 LYS CA C 13 58.948 0.03 . 1 . . 935 . A 63 LYS CA . 30706 1 516 . 1 . 1 63 63 LYS CB C 13 32.067 0.026 . 1 . . 233 . A 63 LYS CB . 30706 1 517 . 1 . 1 63 63 LYS CG C 13 25.168 0.037 . 1 . . 938 . A 63 LYS CG . 30706 1 518 . 1 . 1 63 63 LYS CD C 13 29.044 0.005 . 1 . . 940 . A 63 LYS CD . 30706 1 519 . 1 . 1 63 63 LYS CE C 13 42.188 0.002 . 1 . . 942 . A 63 LYS CE . 30706 1 520 . 1 . 1 63 63 LYS N N 15 117.565 0.018 . 1 . . 84 . A 63 LYS N . 30706 1 521 . 1 . 1 64 64 LYS H H 1 8.050 0.002 . 1 . . 1 . A 64 LYS H . 30706 1 522 . 1 . 1 64 64 LYS HA H 1 4.061 0.004 . 1 . . 947 . A 64 LYS HA . 30706 1 523 . 1 . 1 64 64 LYS HB2 H 1 1.896 0.006 . 1 . . 945 . A 64 LYS HB2 . 30706 1 524 . 1 . 1 64 64 LYS HG2 H 1 1.374 0.001 . 2 . . 949 . A 64 LYS HG2 . 30706 1 525 . 1 . 1 64 64 LYS HG3 H 1 1.533 0.007 . 2 . . 950 . A 64 LYS HG3 . 30706 1 526 . 1 . 1 64 64 LYS HD2 H 1 1.704 0.003 . 1 . . 952 . A 64 LYS HD2 . 30706 1 527 . 1 . 1 64 64 LYS HE2 H 1 2.942 0.005 . 1 . . 954 . A 64 LYS HE2 . 30706 1 528 . 1 . 1 64 64 LYS CA C 13 59.040 0.061 . 1 . . 946 . A 64 LYS CA . 30706 1 529 . 1 . 1 64 64 LYS CB C 13 32.094 0.001 . 1 . . 944 . A 64 LYS CB . 30706 1 530 . 1 . 1 64 64 LYS CG C 13 24.819 0.015 . 1 . . 948 . A 64 LYS CG . 30706 1 531 . 1 . 1 64 64 LYS CD C 13 29.486 0.035 . 1 . . 951 . A 64 LYS CD . 30706 1 532 . 1 . 1 64 64 LYS CE C 13 42.099 0.001 . 1 . . 953 . A 64 LYS CE . 30706 1 533 . 1 . 1 64 64 LYS N N 15 119.994 0.094 . 1 . . 2 . A 64 LYS N . 30706 1 534 . 1 . 1 65 65 ALA H H 1 8.082 0.003 . 1 . . 85 . A 65 ALA H . 30706 1 535 . 1 . 1 65 65 ALA HA H 1 3.365 0.002 . 1 . . 519 . A 65 ALA HA . 30706 1 536 . 1 . 1 65 65 ALA HB1 H 1 0.382 0.003 . 1 . . 518 . A 65 ALA HB1 . 30706 1 537 . 1 . 1 65 65 ALA HB2 H 1 0.382 0.003 . 1 . . 518 . A 65 ALA HB2 . 30706 1 538 . 1 . 1 65 65 ALA HB3 H 1 0.382 0.003 . 1 . . 518 . A 65 ALA HB3 . 30706 1 539 . 1 . 1 65 65 ALA CA C 13 54.966 0.044 . 1 . . 322 . A 65 ALA CA . 30706 1 540 . 1 . 1 65 65 ALA CB C 13 16.279 0.05 . 1 . . 310 . A 65 ALA CB . 30706 1 541 . 1 . 1 65 65 ALA N N 15 122.073 0.01 . 1 . . 86 . A 65 ALA N . 30706 1 542 . 1 . 1 66 66 ASP H H 1 7.876 0.002 . 1 . . 111 . A 66 ASP H . 30706 1 543 . 1 . 1 66 66 ASP HA H 1 4.257 0.003 . 1 . . 522 . A 66 ASP HA . 30706 1 544 . 1 . 1 66 66 ASP HB2 H 1 2.665 0.004 . 2 . . 520 . A 66 ASP HB2 . 30706 1 545 . 1 . 1 66 66 ASP HB3 H 1 2.852 0.006 . 2 . . 521 . A 66 ASP HB3 . 30706 1 546 . 1 . 1 66 66 ASP CA C 13 57.522 0.043 . 1 . . 304 . A 66 ASP CA . 30706 1 547 . 1 . 1 66 66 ASP CB C 13 42.673 0.022 . 1 . . 303 . A 66 ASP CB . 30706 1 548 . 1 . 1 66 66 ASP N N 15 117.262 0.018 . 1 . . 112 . A 66 ASP N . 30706 1 549 . 1 . 1 67 67 ASP H H 1 8.149 0.004 . 1 . . 45 . A 67 ASP H . 30706 1 550 . 1 . 1 67 67 ASP HA H 1 4.407 0.004 . 1 . . 523 . A 67 ASP HA . 30706 1 551 . 1 . 1 67 67 ASP HB2 H 1 2.904 0.004 . 2 . . 524 . A 67 ASP HB2 . 30706 1 552 . 1 . 1 67 67 ASP HB3 H 1 2.705 0.005 . 2 . . 525 . A 67 ASP HB3 . 30706 1 553 . 1 . 1 67 67 ASP CA C 13 57.583 0.03 . 1 . . 253 . A 67 ASP CA . 30706 1 554 . 1 . 1 67 67 ASP CB C 13 41.159 0.044 . 1 . . 308 . A 67 ASP CB . 30706 1 555 . 1 . 1 67 67 ASP N N 15 117.843 0.015 . 1 . . 46 . A 67 ASP N . 30706 1 556 . 1 . 1 68 68 ILE H H 1 8.430 0.005 . 1 . . 117 . A 68 ILE H . 30706 1 557 . 1 . 1 68 68 ILE HA H 1 3.686 0.002 . 1 . . 527 . A 68 ILE HA . 30706 1 558 . 1 . 1 68 68 ILE HB H 1 2.167 0.002 . 1 . . 526 . A 68 ILE HB . 30706 1 559 . 1 . 1 68 68 ILE HG12 H 1 1.137 0.001 . 2 . . 529 . A 68 ILE HG12 . 30706 1 560 . 1 . 1 68 68 ILE HG13 H 1 1.944 0.006 . 2 . . 530 . A 68 ILE HG13 . 30706 1 561 . 1 . 1 68 68 ILE HG21 H 1 1.083 0.004 . 1 . . 532 . A 68 ILE HG21 . 30706 1 562 . 1 . 1 68 68 ILE HG22 H 1 1.083 0.004 . 1 . . 532 . A 68 ILE HG22 . 30706 1 563 . 1 . 1 68 68 ILE HG23 H 1 1.083 0.004 . 1 . . 532 . A 68 ILE HG23 . 30706 1 564 . 1 . 1 68 68 ILE HD11 H 1 0.958 0.002 . 1 . . 534 . A 68 ILE HD11 . 30706 1 565 . 1 . 1 68 68 ILE HD12 H 1 0.958 0.002 . 1 . . 534 . A 68 ILE HD12 . 30706 1 566 . 1 . 1 68 68 ILE HD13 H 1 0.958 0.002 . 1 . . 534 . A 68 ILE HD13 . 30706 1 567 . 1 . 1 68 68 ILE CA C 13 65.682 0.04 . 1 . . 323 . A 68 ILE CA . 30706 1 568 . 1 . 1 68 68 ILE CB C 13 37.934 0.017 . 1 . . 324 . A 68 ILE CB . 30706 1 569 . 1 . 1 68 68 ILE CG1 C 13 29.412 0.033 . 1 . . 528 . A 68 ILE CG1 . 30706 1 570 . 1 . 1 68 68 ILE CG2 C 13 17.271 0.01 . 1 . . 531 . A 68 ILE CG2 . 30706 1 571 . 1 . 1 68 68 ILE CD1 C 13 13.854 0.01 . 1 . . 533 . A 68 ILE CD1 . 30706 1 572 . 1 . 1 68 68 ILE N N 15 122.034 0.032 . 1 . . 118 . A 68 ILE N . 30706 1 573 . 1 . 1 69 69 ALA H H 1 8.469 0.007 . 1 . . 296 . A 69 ALA H . 30706 1 574 . 1 . 1 69 69 ALA HA H 1 4.123 0.004 . 1 . . 535 . A 69 ALA HA . 30706 1 575 . 1 . 1 69 69 ALA HB1 H 1 1.636 0.005 . 1 . . 536 . A 69 ALA HB1 . 30706 1 576 . 1 . 1 69 69 ALA HB2 H 1 1.636 0.005 . 1 . . 536 . A 69 ALA HB2 . 30706 1 577 . 1 . 1 69 69 ALA HB3 H 1 1.636 0.005 . 1 . . 536 . A 69 ALA HB3 . 30706 1 578 . 1 . 1 69 69 ALA CA C 13 55.678 0.049 . 1 . . 298 . A 69 ALA CA . 30706 1 579 . 1 . 1 69 69 ALA CB C 13 18.352 0.021 . 1 . . 299 . A 69 ALA CB . 30706 1 580 . 1 . 1 69 69 ALA N N 15 122.115 0.016 . 1 . . 297 . A 69 ALA N . 30706 1 581 . 1 . 1 70 70 LYS H H 1 8.117 0.003 . 1 . . 91 . A 70 LYS H . 30706 1 582 . 1 . 1 70 70 LYS HA H 1 4.180 0.008 . 1 . . 956 . A 70 LYS HA . 30706 1 583 . 1 . 1 70 70 LYS HB2 H 1 1.996 0.008 . 2 . . 958 . A 70 LYS HB2 . 30706 1 584 . 1 . 1 70 70 LYS HB3 H 1 1.950 0.001 . 2 . . 959 . A 70 LYS HB3 . 30706 1 585 . 1 . 1 70 70 LYS HG2 H 1 1.503 0.005 . 2 . . 961 . A 70 LYS HG2 . 30706 1 586 . 1 . 1 70 70 LYS HG3 H 1 1.728 0.002 . 2 . . 962 . A 70 LYS HG3 . 30706 1 587 . 1 . 1 70 70 LYS HD2 H 1 1.729 0.001 . 2 . . 963 . A 70 LYS HD2 . 30706 1 588 . 1 . 1 70 70 LYS HD3 H 1 1.671 0.0 . 2 . . 965 . A 70 LYS HD3 . 30706 1 589 . 1 . 1 70 70 LYS HE2 H 1 3.022 0.003 . 1 . . 967 . A 70 LYS HE2 . 30706 1 590 . 1 . 1 70 70 LYS CA C 13 59.450 0.065 . 1 . . 955 . A 70 LYS CA . 30706 1 591 . 1 . 1 70 70 LYS CB C 13 32.754 0.041 . 1 . . 957 . A 70 LYS CB . 30706 1 592 . 1 . 1 70 70 LYS CG C 13 26.176 0.044 . 1 . . 960 . A 70 LYS CG . 30706 1 593 . 1 . 1 70 70 LYS CD C 13 29.101 0.002 . 1 . . 964 . A 70 LYS CD . 30706 1 594 . 1 . 1 70 70 LYS CE C 13 42.427 0.001 . 1 . . 966 . A 70 LYS CE . 30706 1 595 . 1 . 1 70 70 LYS N N 15 117.473 0.026 . 1 . . 92 . A 70 LYS N . 30706 1 596 . 1 . 1 71 71 LYS H H 1 8.231 0.003 . 1 . . 81 . A 71 LYS H . 30706 1 597 . 1 . 1 71 71 LYS HA H 1 4.174 0.001 . 1 . . 968 . A 71 LYS HA . 30706 1 598 . 1 . 1 71 71 LYS HB2 H 1 1.993 0.011 . 1 . . 969 . A 71 LYS HB2 . 30706 1 599 . 1 . 1 71 71 LYS HG2 H 1 1.528 0.005 . 2 . . 971 . A 71 LYS HG2 . 30706 1 600 . 1 . 1 71 71 LYS HG3 H 1 1.628 0.004 . 2 . . 973 . A 71 LYS HG3 . 30706 1 601 . 1 . 1 71 71 LYS HD2 H 1 1.686 0.0 . 1 . . 975 . A 71 LYS HD2 . 30706 1 602 . 1 . 1 71 71 LYS HE2 H 1 3.005 0.007 . 1 . . 977 . A 71 LYS HE2 . 30706 1 603 . 1 . 1 71 71 LYS CA C 13 58.309 0.048 . 1 . . 325 . A 71 LYS CA . 30706 1 604 . 1 . 1 71 71 LYS CB C 13 32.572 0.037 . 1 . . 970 . A 71 LYS CB . 30706 1 605 . 1 . 1 71 71 LYS CG C 13 25.660 0.031 . 1 . . 972 . A 71 LYS CG . 30706 1 606 . 1 . 1 71 71 LYS CD C 13 29.164 0.001 . 1 . . 974 . A 71 LYS CD . 30706 1 607 . 1 . 1 71 71 LYS CE C 13 42.159 0.001 . 1 . . 976 . A 71 LYS CE . 30706 1 608 . 1 . 1 71 71 LYS N N 15 120.621 0.012 . 1 . . 82 . A 71 LYS N . 30706 1 609 . 1 . 1 72 72 GLN H H 1 7.814 0.002 . 1 . . 169 . A 72 GLN H . 30706 1 610 . 1 . 1 72 72 GLN HA H 1 4.409 0.002 . 1 . . 751 . A 72 GLN HA . 30706 1 611 . 1 . 1 72 72 GLN HB2 H 1 2.257 0.004 . 2 . . 752 . A 72 GLN HB2 . 30706 1 612 . 1 . 1 72 72 GLN HB3 H 1 2.112 0.004 . 2 . . 753 . A 72 GLN HB3 . 30706 1 613 . 1 . 1 72 72 GLN HG2 H 1 2.503 0.002 . 1 . . 755 . A 72 GLN HG2 . 30706 1 614 . 1 . 1 72 72 GLN HE21 H 1 7.320 0.001 . 1 . . 1060 . A 72 GLN HE21 . 30706 1 615 . 1 . 1 72 72 GLN HE22 H 1 6.791 0.001 . 1 . . 1061 . A 72 GLN HE22 . 30706 1 616 . 1 . 1 72 72 GLN CA C 13 55.399 0.038 . 1 . . 750 . A 72 GLN CA . 30706 1 617 . 1 . 1 72 72 GLN CB C 13 28.583 0.033 . 1 . . 295 . A 72 GLN CB . 30706 1 618 . 1 . 1 72 72 GLN CG C 13 33.931 0.022 . 1 . . 754 . A 72 GLN CG . 30706 1 619 . 1 . 1 72 72 GLN N N 15 116.474 0.011 . 1 . . 170 . A 72 GLN N . 30706 1 620 . 1 . 1 72 72 GLN NE2 N 15 110.996 0.012 . 1 . . 1059 . A 72 GLN NE2 . 30706 1 621 . 1 . 1 73 73 ASN H H 1 8.133 0.006 . 1 . . 143 . A 73 ASN H . 30706 1 622 . 1 . 1 73 73 ASN HA H 1 4.515 0.005 . 1 . . 538 . A 73 ASN HA . 30706 1 623 . 1 . 1 73 73 ASN HB2 H 1 3.050 0.002 . 2 . . 539 . A 73 ASN HB2 . 30706 1 624 . 1 . 1 73 73 ASN HB3 H 1 2.806 0.001 . 2 . . 540 . A 73 ASN HB3 . 30706 1 625 . 1 . 1 73 73 ASN HD21 H 1 7.537 0.001 . 1 . . 1063 . A 73 ASN HD21 . 30706 1 626 . 1 . 1 73 73 ASN HD22 H 1 6.862 0.001 . 1 . . 1064 . A 73 ASN HD22 . 30706 1 627 . 1 . 1 73 73 ASN CA C 13 54.144 0.035 . 1 . . 537 . A 73 ASN CA . 30706 1 628 . 1 . 1 73 73 ASN CB C 13 37.746 0.028 . 1 . . 292 . A 73 ASN CB . 30706 1 629 . 1 . 1 73 73 ASN N N 15 116.816 0.051 . 1 . . 144 . A 73 ASN N . 30706 1 630 . 1 . 1 73 73 ASN ND2 N 15 112.298 0.007 . 1 . . 1062 . A 73 ASN ND2 . 30706 1 631 . 1 . 1 74 74 SER H H 1 8.092 0.003 . 1 . . 179 . A 74 SER H . 30706 1 632 . 1 . 1 74 74 SER HA H 1 4.460 0.003 . 1 . . 542 . A 74 SER HA . 30706 1 633 . 1 . 1 74 74 SER HB2 H 1 3.940 0.006 . 2 . . 543 . A 74 SER HB2 . 30706 1 634 . 1 . 1 74 74 SER HB3 H 1 3.851 0.005 . 2 . . 544 . A 74 SER HB3 . 30706 1 635 . 1 . 1 74 74 SER CA C 13 58.346 0.005 . 1 . . 541 . A 74 SER CA . 30706 1 636 . 1 . 1 74 74 SER CB C 13 63.432 0.045 . 1 . . 291 . A 74 SER CB . 30706 1 637 . 1 . 1 74 74 SER N N 15 113.215 0.02 . 1 . . 180 . A 74 SER N . 30706 1 638 . 1 . 1 75 75 SER H H 1 8.529 0.002 . 1 . . 195 . A 75 SER H . 30706 1 639 . 1 . 1 75 75 SER HA H 1 4.484 0.004 . 1 . . 547 . A 75 SER HA . 30706 1 640 . 1 . 1 75 75 SER HB2 H 1 3.883 0.004 . 2 . . 545 . A 75 SER HB2 . 30706 1 641 . 1 . 1 75 75 SER HB3 H 1 3.959 0.006 . 2 . . 546 . A 75 SER HB3 . 30706 1 642 . 1 . 1 75 75 SER CA C 13 59.265 0.041 . 1 . . 289 . A 75 SER CA . 30706 1 643 . 1 . 1 75 75 SER CB C 13 63.956 0.042 . 1 . . 290 . A 75 SER CB . 30706 1 644 . 1 . 1 75 75 SER N N 15 119.334 0.073 . 1 . . 196 . A 75 SER N . 30706 1 645 . 1 . 1 76 76 GLU H H 1 8.032 0.002 . 1 . . 89 . A 76 GLU H . 30706 1 646 . 1 . 1 76 76 GLU HA H 1 4.543 0.002 . 1 . . 801 . A 76 GLU HA . 30706 1 647 . 1 . 1 76 76 GLU HB2 H 1 2.100 0.002 . 2 . . 802 . A 76 GLU HB2 . 30706 1 648 . 1 . 1 76 76 GLU HB3 H 1 1.963 0.002 . 2 . . 803 . A 76 GLU HB3 . 30706 1 649 . 1 . 1 76 76 GLU HG2 H 1 2.229 0.005 . 2 . . 805 . A 76 GLU HG2 . 30706 1 650 . 1 . 1 76 76 GLU HG3 H 1 2.248 0.006 . 2 . . 806 . A 76 GLU HG3 . 30706 1 651 . 1 . 1 76 76 GLU CA C 13 55.895 0.051 . 1 . . 326 . A 76 GLU CA . 30706 1 652 . 1 . 1 76 76 GLU CB C 13 31.687 0.029 . 1 . . 226 . A 76 GLU CB . 30706 1 653 . 1 . 1 76 76 GLU CG C 13 36.528 0.039 . 1 . . 804 . A 76 GLU CG . 30706 1 654 . 1 . 1 76 76 GLU N N 15 120.621 0.012 . 1 . . 90 . A 76 GLU N . 30706 1 655 . 1 . 1 77 77 ALA H H 1 8.435 0.002 . 1 . . 155 . A 77 ALA H . 30706 1 656 . 1 . 1 77 77 ALA HA H 1 5.375 0.005 . 1 . . 548 . A 77 ALA HA . 30706 1 657 . 1 . 1 77 77 ALA HB1 H 1 1.451 0.003 . 1 . . 549 . A 77 ALA HB1 . 30706 1 658 . 1 . 1 77 77 ALA HB2 H 1 1.451 0.003 . 1 . . 549 . A 77 ALA HB2 . 30706 1 659 . 1 . 1 77 77 ALA HB3 H 1 1.451 0.003 . 1 . . 549 . A 77 ALA HB3 . 30706 1 660 . 1 . 1 77 77 ALA CA C 13 51.418 0.098 . 1 . . 550 . A 77 ALA CA . 30706 1 661 . 1 . 1 77 77 ALA CB C 13 22.064 0.022 . 1 . . 288 . A 77 ALA CB . 30706 1 662 . 1 . 1 77 77 ALA N N 15 124.412 0.005 . 1 . . 156 . A 77 ALA N . 30706 1 663 . 1 . 1 78 78 LYS H H 1 8.344 0.003 . 1 . . 191 . A 78 LYS H . 30706 1 664 . 1 . 1 78 78 LYS HA H 1 5.207 0.002 . 1 . . 978 . A 78 LYS HA . 30706 1 665 . 1 . 1 78 78 LYS HB2 H 1 2.014 0.006 . 2 . . 979 . A 78 LYS HB2 . 30706 1 666 . 1 . 1 78 78 LYS HB3 H 1 1.821 0.005 . 2 . . 980 . A 78 LYS HB3 . 30706 1 667 . 1 . 1 78 78 LYS HG2 H 1 1.515 0.004 . 2 . . 982 . A 78 LYS HG2 . 30706 1 668 . 1 . 1 78 78 LYS HG3 H 1 1.411 0.005 . 2 . . 983 . A 78 LYS HG3 . 30706 1 669 . 1 . 1 78 78 LYS HD2 H 1 1.603 0.006 . 2 . . 984 . A 78 LYS HD2 . 30706 1 670 . 1 . 1 78 78 LYS HD3 H 1 1.507 0.004 . 2 . . 986 . A 78 LYS HD3 . 30706 1 671 . 1 . 1 78 78 LYS HE2 H 1 2.793 0.003 . 1 . . 988 . A 78 LYS HE2 . 30706 1 672 . 1 . 1 78 78 LYS CA C 13 55.556 0.064 . 1 . . 327 . A 78 LYS CA . 30706 1 673 . 1 . 1 78 78 LYS CB C 13 37.620 0.023 . 1 . . 287 . A 78 LYS CB . 30706 1 674 . 1 . 1 78 78 LYS CG C 13 25.428 0.037 . 1 . . 981 . A 78 LYS CG . 30706 1 675 . 1 . 1 78 78 LYS CD C 13 29.835 0.025 . 1 . . 985 . A 78 LYS CD . 30706 1 676 . 1 . 1 78 78 LYS CE C 13 42.221 0.016 . 1 . . 987 . A 78 LYS CE . 30706 1 677 . 1 . 1 78 78 LYS N N 15 118.131 0.013 . 1 . . 192 . A 78 LYS N . 30706 1 678 . 1 . 1 79 79 ILE H H 1 9.254 0.003 . 1 . . 193 . A 79 ILE H . 30706 1 679 . 1 . 1 79 79 ILE HA H 1 4.866 0.003 . 1 . . 551 . A 79 ILE HA . 30706 1 680 . 1 . 1 79 79 ILE HB H 1 1.770 0.005 . 1 . . 553 . A 79 ILE HB . 30706 1 681 . 1 . 1 79 79 ILE HG12 H 1 1.440 0.007 . 2 . . 555 . A 79 ILE HG12 . 30706 1 682 . 1 . 1 79 79 ILE HG13 H 1 0.680 0.005 . 2 . . 556 . A 79 ILE HG13 . 30706 1 683 . 1 . 1 79 79 ILE HG21 H 1 0.704 0.004 . 1 . . 558 . A 79 ILE HG21 . 30706 1 684 . 1 . 1 79 79 ILE HG22 H 1 0.704 0.004 . 1 . . 558 . A 79 ILE HG22 . 30706 1 685 . 1 . 1 79 79 ILE HG23 H 1 0.704 0.004 . 1 . . 558 . A 79 ILE HG23 . 30706 1 686 . 1 . 1 79 79 ILE HD11 H 1 0.557 0.003 . 1 . . 560 . A 79 ILE HD11 . 30706 1 687 . 1 . 1 79 79 ILE HD12 H 1 0.557 0.003 . 1 . . 560 . A 79 ILE HD12 . 30706 1 688 . 1 . 1 79 79 ILE HD13 H 1 0.557 0.003 . 1 . . 560 . A 79 ILE HD13 . 30706 1 689 . 1 . 1 79 79 ILE CA C 13 60.811 0.049 . 1 . . 270 . A 79 ILE CA . 30706 1 690 . 1 . 1 79 79 ILE CB C 13 41.376 0.028 . 1 . . 552 . A 79 ILE CB . 30706 1 691 . 1 . 1 79 79 ILE CG1 C 13 27.657 0.01 . 1 . . 554 . A 79 ILE CG1 . 30706 1 692 . 1 . 1 79 79 ILE CG2 C 13 18.086 0.02 . 1 . . 557 . A 79 ILE CG2 . 30706 1 693 . 1 . 1 79 79 ILE CD1 C 13 15.045 0.025 . 1 . . 559 . A 79 ILE CD1 . 30706 1 694 . 1 . 1 79 79 ILE N N 15 122.647 0.007 . 1 . . 194 . A 79 ILE N . 30706 1 695 . 1 . 1 80 80 LEU H H 1 8.837 0.006 . 1 . . 31 . A 80 LEU H . 30706 1 696 . 1 . 1 80 80 LEU HA H 1 4.670 0.002 . 1 . . 562 . A 80 LEU HA . 30706 1 697 . 1 . 1 80 80 LEU HB2 H 1 1.208 0.007 . 2 . . 563 . A 80 LEU HB2 . 30706 1 698 . 1 . 1 80 80 LEU HB3 H 1 -0.427 0.004 . 2 . . 564 . A 80 LEU HB3 . 30706 1 699 . 1 . 1 80 80 LEU HG H 1 0.989 0.008 . 1 . . 566 . A 80 LEU HG . 30706 1 700 . 1 . 1 80 80 LEU HD11 H 1 0.483 0.004 . 2 . . 568 . A 80 LEU HD11 . 30706 1 701 . 1 . 1 80 80 LEU HD12 H 1 0.483 0.004 . 2 . . 568 . A 80 LEU HD12 . 30706 1 702 . 1 . 1 80 80 LEU HD13 H 1 0.483 0.004 . 2 . . 568 . A 80 LEU HD13 . 30706 1 703 . 1 . 1 80 80 LEU HD21 H 1 0.395 0.003 . 2 . . 570 . A 80 LEU HD21 . 30706 1 704 . 1 . 1 80 80 LEU HD22 H 1 0.395 0.003 . 2 . . 570 . A 80 LEU HD22 . 30706 1 705 . 1 . 1 80 80 LEU HD23 H 1 0.395 0.003 . 2 . . 570 . A 80 LEU HD23 . 30706 1 706 . 1 . 1 80 80 LEU CA C 13 53.256 0.012 . 1 . . 561 . A 80 LEU CA . 30706 1 707 . 1 . 1 80 80 LEU CB C 13 42.072 0.039 . 1 . . 216 . A 80 LEU CB . 30706 1 708 . 1 . 1 80 80 LEU CG C 13 27.016 0.002 . 1 . . 565 . A 80 LEU CG . 30706 1 709 . 1 . 1 80 80 LEU CD1 C 13 26.508 0.031 . 2 . . 567 . A 80 LEU CD1 . 30706 1 710 . 1 . 1 80 80 LEU CD2 C 13 22.332 0.009 . 2 . . 569 . A 80 LEU CD2 . 30706 1 711 . 1 . 1 80 80 LEU N N 15 131.241 0.01 . 1 . . 32 . A 80 LEU N . 30706 1 712 . 1 . 1 81 81 ILE H H 1 9.297 0.007 . 1 . . 123 . A 81 ILE H . 30706 1 713 . 1 . 1 81 81 ILE HA H 1 4.927 0.003 . 1 . . 572 . A 81 ILE HA . 30706 1 714 . 1 . 1 81 81 ILE HB H 1 1.791 0.003 . 1 . . 573 . A 81 ILE HB . 30706 1 715 . 1 . 1 81 81 ILE HG12 H 1 1.574 0.004 . 2 . . 575 . A 81 ILE HG12 . 30706 1 716 . 1 . 1 81 81 ILE HG13 H 1 0.881 0.008 . 2 . . 576 . A 81 ILE HG13 . 30706 1 717 . 1 . 1 81 81 ILE HG21 H 1 0.744 0.006 . 1 . . 578 . A 81 ILE HG21 . 30706 1 718 . 1 . 1 81 81 ILE HG22 H 1 0.744 0.006 . 1 . . 578 . A 81 ILE HG22 . 30706 1 719 . 1 . 1 81 81 ILE HG23 H 1 0.744 0.006 . 1 . . 578 . A 81 ILE HG23 . 30706 1 720 . 1 . 1 81 81 ILE HD11 H 1 0.719 0.004 . 1 . . 580 . A 81 ILE HD11 . 30706 1 721 . 1 . 1 81 81 ILE HD12 H 1 0.719 0.004 . 1 . . 580 . A 81 ILE HD12 . 30706 1 722 . 1 . 1 81 81 ILE HD13 H 1 0.719 0.004 . 1 . . 580 . A 81 ILE HD13 . 30706 1 723 . 1 . 1 81 81 ILE CA C 13 59.850 0.028 . 1 . . 571 . A 81 ILE CA . 30706 1 724 . 1 . 1 81 81 ILE CB C 13 39.140 0.039 . 1 . . 225 . A 81 ILE CB . 30706 1 725 . 1 . 1 81 81 ILE CG1 C 13 28.243 0.012 . 1 . . 574 . A 81 ILE CG1 . 30706 1 726 . 1 . 1 81 81 ILE CG2 C 13 17.673 0.018 . 1 . . 577 . A 81 ILE CG2 . 30706 1 727 . 1 . 1 81 81 ILE CD1 C 13 15.832 0.009 . 1 . . 579 . A 81 ILE CD1 . 30706 1 728 . 1 . 1 81 81 ILE N N 15 127.208 0.022 . 1 . . 124 . A 81 ILE N . 30706 1 729 . 1 . 1 82 82 LEU H H 1 8.926 0.002 . 1 . . 147 . A 82 LEU H . 30706 1 730 . 1 . 1 82 82 LEU HA H 1 5.354 0.002 . 1 . . 583 . A 82 LEU HA . 30706 1 731 . 1 . 1 82 82 LEU HB2 H 1 1.816 0.005 . 2 . . 581 . A 82 LEU HB2 . 30706 1 732 . 1 . 1 82 82 LEU HB3 H 1 1.123 0.004 . 2 . . 582 . A 82 LEU HB3 . 30706 1 733 . 1 . 1 82 82 LEU HG H 1 1.491 0.005 . 1 . . 585 . A 82 LEU HG . 30706 1 734 . 1 . 1 82 82 LEU HD11 H 1 0.785 0.003 . 2 . . 587 . A 82 LEU HD11 . 30706 1 735 . 1 . 1 82 82 LEU HD12 H 1 0.785 0.003 . 2 . . 587 . A 82 LEU HD12 . 30706 1 736 . 1 . 1 82 82 LEU HD13 H 1 0.785 0.003 . 2 . . 587 . A 82 LEU HD13 . 30706 1 737 . 1 . 1 82 82 LEU HD21 H 1 0.791 0.002 . 2 . . 589 . A 82 LEU HD21 . 30706 1 738 . 1 . 1 82 82 LEU HD22 H 1 0.791 0.002 . 2 . . 589 . A 82 LEU HD22 . 30706 1 739 . 1 . 1 82 82 LEU HD23 H 1 0.791 0.002 . 2 . . 589 . A 82 LEU HD23 . 30706 1 740 . 1 . 1 82 82 LEU CA C 13 52.503 0.058 . 1 . . 200 . A 82 LEU CA . 30706 1 741 . 1 . 1 82 82 LEU CB C 13 42.982 0.042 . 1 . . 201 . A 82 LEU CB . 30706 1 742 . 1 . 1 82 82 LEU CG C 13 26.612 0.002 . 1 . . 584 . A 82 LEU CG . 30706 1 743 . 1 . 1 82 82 LEU CD1 C 13 25.795 0.018 . 2 . . 586 . A 82 LEU CD1 . 30706 1 744 . 1 . 1 82 82 LEU CD2 C 13 24.099 0.029 . 2 . . 588 . A 82 LEU CD2 . 30706 1 745 . 1 . 1 82 82 LEU N N 15 125.448 0.01 . 1 . . 148 . A 82 LEU N . 30706 1 746 . 1 . 1 83 83 LEU H H 1 8.277 0.002 . 1 . . 11 . A 83 LEU H . 30706 1 747 . 1 . 1 83 83 LEU HA H 1 5.020 0.004 . 1 . . 590 . A 83 LEU HA . 30706 1 748 . 1 . 1 83 83 LEU HB2 H 1 1.764 0.005 . 1 . . 591 . A 83 LEU HB2 . 30706 1 749 . 1 . 1 83 83 LEU HG H 1 1.596 0.003 . 1 . . 593 . A 83 LEU HG . 30706 1 750 . 1 . 1 83 83 LEU HD11 H 1 0.805 0.001 . 2 . . 595 . A 83 LEU HD11 . 30706 1 751 . 1 . 1 83 83 LEU HD12 H 1 0.805 0.001 . 2 . . 595 . A 83 LEU HD12 . 30706 1 752 . 1 . 1 83 83 LEU HD13 H 1 0.805 0.001 . 2 . . 595 . A 83 LEU HD13 . 30706 1 753 . 1 . 1 83 83 LEU HD21 H 1 0.878 0.007 . 2 . . 597 . A 83 LEU HD21 . 30706 1 754 . 1 . 1 83 83 LEU HD22 H 1 0.878 0.007 . 2 . . 597 . A 83 LEU HD22 . 30706 1 755 . 1 . 1 83 83 LEU HD23 H 1 0.878 0.007 . 2 . . 597 . A 83 LEU HD23 . 30706 1 756 . 1 . 1 83 83 LEU CA C 13 52.849 0.064 . 1 . . 328 . A 83 LEU CA . 30706 1 757 . 1 . 1 83 83 LEU CB C 13 45.202 0.023 . 1 . . 199 . A 83 LEU CB . 30706 1 758 . 1 . 1 83 83 LEU CG C 13 27.252 0.002 . 1 . . 592 . A 83 LEU CG . 30706 1 759 . 1 . 1 83 83 LEU CD1 C 13 27.044 0.03 . 2 . . 594 . A 83 LEU CD1 . 30706 1 760 . 1 . 1 83 83 LEU CD2 C 13 25.091 0.014 . 2 . . 596 . A 83 LEU CD2 . 30706 1 761 . 1 . 1 83 83 LEU N N 15 119.853 0.036 . 1 . . 12 . A 83 LEU N . 30706 1 762 . 1 . 1 84 84 GLU H H 1 9.097 0.002 . 1 . . 5 . A 84 GLU H . 30706 1 763 . 1 . 1 84 84 GLU HA H 1 4.962 0.002 . 1 . . 807 . A 84 GLU HA . 30706 1 764 . 1 . 1 84 84 GLU HB2 H 1 2.302 0.006 . 2 . . 808 . A 84 GLU HB2 . 30706 1 765 . 1 . 1 84 84 GLU HB3 H 1 2.047 0.004 . 2 . . 809 . A 84 GLU HB3 . 30706 1 766 . 1 . 1 84 84 GLU HG2 H 1 2.412 0.003 . 2 . . 811 . A 84 GLU HG2 . 30706 1 767 . 1 . 1 84 84 GLU HG3 H 1 2.255 0.003 . 2 . . 812 . A 84 GLU HG3 . 30706 1 768 . 1 . 1 84 84 GLU CA C 13 56.326 0.035 . 1 . . 254 . A 84 GLU CA . 30706 1 769 . 1 . 1 84 84 GLU CB C 13 30.837 0.025 . 1 . . 255 . A 84 GLU CB . 30706 1 770 . 1 . 1 84 84 GLU CG C 13 36.914 0.027 . 1 . . 810 . A 84 GLU CG . 30706 1 771 . 1 . 1 84 84 GLU N N 15 119.027 0.009 . 1 . . 6 . A 84 GLU N . 30706 1 772 . 1 . 1 85 85 LYS H H 1 7.151 0.002 . 1 . . 121 . A 85 LYS H . 30706 1 773 . 1 . 1 85 85 LYS HA H 1 4.829 0.004 . 1 . . 989 . A 85 LYS HA . 30706 1 774 . 1 . 1 85 85 LYS HB2 H 1 1.804 0.005 . 2 . . 990 . A 85 LYS HB2 . 30706 1 775 . 1 . 1 85 85 LYS HB3 H 1 1.654 0.003 . 2 . . 991 . A 85 LYS HB3 . 30706 1 776 . 1 . 1 85 85 LYS HG2 H 1 1.343 0.003 . 1 . . 993 . A 85 LYS HG2 . 30706 1 777 . 1 . 1 85 85 LYS HD2 H 1 1.623 0.001 . 1 . . 995 . A 85 LYS HD2 . 30706 1 778 . 1 . 1 85 85 LYS HE2 H 1 2.883 0.0 . 1 . . 997 . A 85 LYS HE2 . 30706 1 779 . 1 . 1 85 85 LYS CA C 13 53.112 0.1 . 1 . . 330 . A 85 LYS CA . 30706 1 780 . 1 . 1 85 85 LYS CB C 13 33.590 0.031 . 1 . . 329 . A 85 LYS CB . 30706 1 781 . 1 . 1 85 85 LYS CG C 13 24.015 0.05 . 1 . . 992 . A 85 LYS CG . 30706 1 782 . 1 . 1 85 85 LYS CD C 13 29.326 0.034 . 1 . . 994 . A 85 LYS CD . 30706 1 783 . 1 . 1 85 85 LYS CE C 13 42.143 0.001 . 1 . . 996 . A 85 LYS CE . 30706 1 784 . 1 . 1 85 85 LYS N N 15 117.187 0.02 . 1 . . 122 . A 85 LYS N . 30706 1 785 . 1 . 1 86 86 PRO HA H 1 4.467 0.002 . 1 . . 617 . A 86 PRO HA . 30706 1 786 . 1 . 1 86 86 PRO HB2 H 1 2.304 0.003 . 2 . . 615 . A 86 PRO HB2 . 30706 1 787 . 1 . 1 86 86 PRO HB3 H 1 1.831 0.004 . 2 . . 616 . A 86 PRO HB3 . 30706 1 788 . 1 . 1 86 86 PRO HG2 H 1 2.060 0.006 . 2 . . 619 . A 86 PRO HG2 . 30706 1 789 . 1 . 1 86 86 PRO HG3 H 1 1.981 0.003 . 2 . . 620 . A 86 PRO HG3 . 30706 1 790 . 1 . 1 86 86 PRO HD2 H 1 3.829 0.005 . 2 . . 622 . A 86 PRO HD2 . 30706 1 791 . 1 . 1 86 86 PRO HD3 H 1 3.610 0.004 . 2 . . 623 . A 86 PRO HD3 . 30706 1 792 . 1 . 1 86 86 PRO CA C 13 62.738 0.021 . 1 . . 339 . A 86 PRO CA . 30706 1 793 . 1 . 1 86 86 PRO CB C 13 32.125 0.036 . 1 . . 338 . A 86 PRO CB . 30706 1 794 . 1 . 1 86 86 PRO CG C 13 27.485 0.032 . 1 . . 618 . A 86 PRO CG . 30706 1 795 . 1 . 1 86 86 PRO CD C 13 50.755 0.026 . 1 . . 621 . A 86 PRO CD . 30706 1 796 . 1 . 1 87 87 VAL H H 1 8.186 0.003 . 1 . . 177 . A 87 VAL H . 30706 1 797 . 1 . 1 87 87 VAL HA H 1 4.488 0.003 . 1 . . 598 . A 87 VAL HA . 30706 1 798 . 1 . 1 87 87 VAL HB H 1 2.021 0.007 . 1 . . 599 . A 87 VAL HB . 30706 1 799 . 1 . 1 87 87 VAL HG11 H 1 0.615 0.003 . 2 . . 601 . A 87 VAL HG11 . 30706 1 800 . 1 . 1 87 87 VAL HG12 H 1 0.615 0.003 . 2 . . 601 . A 87 VAL HG12 . 30706 1 801 . 1 . 1 87 87 VAL HG13 H 1 0.615 0.003 . 2 . . 601 . A 87 VAL HG13 . 30706 1 802 . 1 . 1 87 87 VAL HG21 H 1 0.770 0.005 . 2 . . 603 . A 87 VAL HG21 . 30706 1 803 . 1 . 1 87 87 VAL HG22 H 1 0.770 0.005 . 2 . . 603 . A 87 VAL HG22 . 30706 1 804 . 1 . 1 87 87 VAL HG23 H 1 0.770 0.005 . 2 . . 603 . A 87 VAL HG23 . 30706 1 805 . 1 . 1 87 87 VAL CA C 13 59.492 0.047 . 1 . . 237 . A 87 VAL CA . 30706 1 806 . 1 . 1 87 87 VAL CB C 13 35.124 0.016 . 1 . . 236 . A 87 VAL CB . 30706 1 807 . 1 . 1 87 87 VAL CG1 C 13 22.150 0.018 . 2 . . 600 . A 87 VAL CG1 . 30706 1 808 . 1 . 1 87 87 VAL CG2 C 13 19.162 0.006 . 2 . . 602 . A 87 VAL CG2 . 30706 1 809 . 1 . 1 87 87 VAL N N 15 116.323 0.01 . 1 . . 178 . A 87 VAL N . 30706 1 810 . 1 . 1 88 88 SER H H 1 8.368 0.004 . 1 . . 19 . A 88 SER H . 30706 1 811 . 1 . 1 88 88 SER HA H 1 4.860 0.005 . 1 . . 606 . A 88 SER HA . 30706 1 812 . 1 . 1 88 88 SER HB2 H 1 4.382 0.002 . 2 . . 604 . A 88 SER HB2 . 30706 1 813 . 1 . 1 88 88 SER HB3 H 1 3.995 0.002 . 2 . . 605 . A 88 SER HB3 . 30706 1 814 . 1 . 1 88 88 SER CA C 13 56.257 0.072 . 1 . . 293 . A 88 SER CA . 30706 1 815 . 1 . 1 88 88 SER CB C 13 63.551 0.035 . 1 . . 294 . A 88 SER CB . 30706 1 816 . 1 . 1 88 88 SER N N 15 119.709 0.018 . 1 . . 20 . A 88 SER N . 30706 1 817 . 1 . 1 89 89 PRO HA H 1 4.469 0.003 . 1 . . 607 . A 89 PRO HA . 30706 1 818 . 1 . 1 89 89 PRO HB2 H 1 1.963 0.004 . 2 . . 608 . A 89 PRO HB2 . 30706 1 819 . 1 . 1 89 89 PRO HB3 H 1 2.464 0.001 . 2 . . 609 . A 89 PRO HB3 . 30706 1 820 . 1 . 1 89 89 PRO HG2 H 1 2.219 0.003 . 2 . . 611 . A 89 PRO HG2 . 30706 1 821 . 1 . 1 89 89 PRO HG3 H 1 2.109 0.003 . 2 . . 612 . A 89 PRO HG3 . 30706 1 822 . 1 . 1 89 89 PRO HD2 H 1 3.954 0.003 . 1 . . 614 . A 89 PRO HD2 . 30706 1 823 . 1 . 1 89 89 PRO CA C 13 65.345 0.015 . 1 . . 340 . A 89 PRO CA . 30706 1 824 . 1 . 1 89 89 PRO CB C 13 31.873 0.024 . 1 . . 341 . A 89 PRO CB . 30706 1 825 . 1 . 1 89 89 PRO CG C 13 28.003 0.042 . 1 . . 610 . A 89 PRO CG . 30706 1 826 . 1 . 1 89 89 PRO CD C 13 50.702 0.023 . 1 . . 613 . A 89 PRO CD . 30706 1 827 . 1 . 1 90 90 GLU H H 1 8.471 0.001 . 1 . . 183 . A 90 GLU H . 30706 1 828 . 1 . 1 90 90 GLU HA H 1 4.053 0.006 . 1 . . 817 . A 90 GLU HA . 30706 1 829 . 1 . 1 90 90 GLU HB2 H 1 2.071 0.008 . 2 . . 818 . A 90 GLU HB2 . 30706 1 830 . 1 . 1 90 90 GLU HB3 H 1 2.028 0.007 . 2 . . 819 . A 90 GLU HB3 . 30706 1 831 . 1 . 1 90 90 GLU HG2 H 1 2.389 0.01 . 2 . . 813 . A 90 GLU HG2 . 30706 1 832 . 1 . 1 90 90 GLU HG3 H 1 2.300 0.003 . 2 . . 815 . A 90 GLU HG3 . 30706 1 833 . 1 . 1 90 90 GLU CA C 13 59.432 0.035 . 1 . . 816 . A 90 GLU CA . 30706 1 834 . 1 . 1 90 90 GLU CB C 13 28.988 0.025 . 1 . . 263 . A 90 GLU CB . 30706 1 835 . 1 . 1 90 90 GLU CG C 13 36.903 0.03 . 1 . . 814 . A 90 GLU CG . 30706 1 836 . 1 . 1 90 90 GLU N N 15 116.152 0.015 . 1 . . 184 . A 90 GLU N . 30706 1 837 . 1 . 1 91 91 TYR H H 1 8.052 0.002 . 1 . . 167 . A 91 TYR H . 30706 1 838 . 1 . 1 91 91 TYR HA H 1 4.218 0.002 . 1 . . 624 . A 91 TYR HA . 30706 1 839 . 1 . 1 91 91 TYR HB2 H 1 3.208 0.003 . 2 . . 625 . A 91 TYR HB2 . 30706 1 840 . 1 . 1 91 91 TYR HB3 H 1 3.091 0.003 . 2 . . 626 . A 91 TYR HB3 . 30706 1 841 . 1 . 1 91 91 TYR HD1 H 1 6.979 0.002 . 1 . . 1071 . A 91 TYR HD1 . 30706 1 842 . 1 . 1 91 91 TYR HD2 H 1 6.979 0.002 . 1 . . 1071 . A 91 TYR HD2 . 30706 1 843 . 1 . 1 91 91 TYR CA C 13 61.248 0.04 . 1 . . 252 . A 91 TYR CA . 30706 1 844 . 1 . 1 91 91 TYR CB C 13 38.793 0.026 . 1 . . 331 . A 91 TYR CB . 30706 1 845 . 1 . 1 91 91 TYR N N 15 123.967 0.007 . 1 . . 168 . A 91 TYR N . 30706 1 846 . 1 . 1 92 92 GLU H H 1 8.140 0.003 . 1 . . 107 . A 92 GLU H . 30706 1 847 . 1 . 1 92 92 GLU HA H 1 3.606 0.002 . 1 . . 820 . A 92 GLU HA . 30706 1 848 . 1 . 1 92 92 GLU HB2 H 1 2.161 0.008 . 2 . . 821 . A 92 GLU HB2 . 30706 1 849 . 1 . 1 92 92 GLU HB3 H 1 2.086 0.005 . 2 . . 823 . A 92 GLU HB3 . 30706 1 850 . 1 . 1 92 92 GLU HG2 H 1 2.168 0.003 . 2 . . 825 . A 92 GLU HG2 . 30706 1 851 . 1 . 1 92 92 GLU HG3 H 1 2.085 0.003 . 2 . . 826 . A 92 GLU HG3 . 30706 1 852 . 1 . 1 92 92 GLU CA C 13 60.553 0.036 . 1 . . 264 . A 92 GLU CA . 30706 1 853 . 1 . 1 92 92 GLU CB C 13 30.223 0.027 . 1 . . 822 . A 92 GLU CB . 30706 1 854 . 1 . 1 92 92 GLU CG C 13 37.306 0.025 . 1 . . 824 . A 92 GLU CG . 30706 1 855 . 1 . 1 92 92 GLU N N 15 118.158 0.027 . 1 . . 108 . A 92 GLU N . 30706 1 856 . 1 . 1 93 93 LYS H H 1 7.579 0.004 . 1 . . 173 . A 93 LYS H . 30706 1 857 . 1 . 1 93 93 LYS HA H 1 4.050 0.006 . 1 . . 999 . A 93 LYS HA . 30706 1 858 . 1 . 1 93 93 LYS HB2 H 1 1.879 0.005 . 2 . . 1000 . A 93 LYS HB2 . 30706 1 859 . 1 . 1 93 93 LYS HB3 H 1 1.833 0.001 . 2 . . 1002 . A 93 LYS HB3 . 30706 1 860 . 1 . 1 93 93 LYS HG2 H 1 1.599 0.003 . 2 . . 1003 . A 93 LYS HG2 . 30706 1 861 . 1 . 1 93 93 LYS HG3 H 1 1.481 0.004 . 2 . . 1005 . A 93 LYS HG3 . 30706 1 862 . 1 . 1 93 93 LYS HD2 H 1 1.659 0.0 . 2 . . 1007 . A 93 LYS HD2 . 30706 1 863 . 1 . 1 93 93 LYS HD3 H 1 1.705 0.0 . 2 . . 1008 . A 93 LYS HD3 . 30706 1 864 . 1 . 1 93 93 LYS HE2 H 1 2.970 0.001 . 1 . . 1010 . A 93 LYS HE2 . 30706 1 865 . 1 . 1 93 93 LYS CA C 13 58.891 0.031 . 1 . . 998 . A 93 LYS CA . 30706 1 866 . 1 . 1 93 93 LYS CB C 13 32.251 0.037 . 1 . . 1001 . A 93 LYS CB . 30706 1 867 . 1 . 1 93 93 LYS CG C 13 25.326 0.028 . 1 . . 1004 . A 93 LYS CG . 30706 1 868 . 1 . 1 93 93 LYS CD C 13 29.201 0.001 . 1 . . 1006 . A 93 LYS CD . 30706 1 869 . 1 . 1 93 93 LYS CE C 13 42.053 0.001 . 1 . . 1009 . A 93 LYS CE . 30706 1 870 . 1 . 1 93 93 LYS N N 15 116.460 0.01 . 1 . . 174 . A 93 LYS N . 30706 1 871 . 1 . 1 94 94 LYS H H 1 7.651 0.004 . 1 . . 109 . A 94 LYS H . 30706 1 872 . 1 . 1 94 94 LYS HA H 1 3.874 0.004 . 1 . . 1012 . A 94 LYS HA . 30706 1 873 . 1 . 1 94 94 LYS HB2 H 1 1.871 0.003 . 1 . . 1014 . A 94 LYS HB2 . 30706 1 874 . 1 . 1 94 94 LYS HG2 H 1 1.510 0.003 . 2 . . 1016 . A 94 LYS HG2 . 30706 1 875 . 1 . 1 94 94 LYS HG3 H 1 1.268 0.003 . 2 . . 1017 . A 94 LYS HG3 . 30706 1 876 . 1 . 1 94 94 LYS HD2 H 1 1.656 0.006 . 1 . . 1021 . A 94 LYS HD2 . 30706 1 877 . 1 . 1 94 94 LYS HE2 H 1 2.942 0.003 . 1 . . 1019 . A 94 LYS HE2 . 30706 1 878 . 1 . 1 94 94 LYS CA C 13 59.383 0.064 . 1 . . 1011 . A 94 LYS CA . 30706 1 879 . 1 . 1 94 94 LYS CB C 13 31.980 0.041 . 1 . . 1013 . A 94 LYS CB . 30706 1 880 . 1 . 1 94 94 LYS CG C 13 25.149 0.021 . 1 . . 1015 . A 94 LYS CG . 30706 1 881 . 1 . 1 94 94 LYS CD C 13 29.632 0.018 . 1 . . 1020 . A 94 LYS CD . 30706 1 882 . 1 . 1 94 94 LYS CE C 13 41.980 0.0 . 1 . . 1018 . A 94 LYS CE . 30706 1 883 . 1 . 1 94 94 LYS N N 15 120.364 0.013 . 1 . . 110 . A 94 LYS N . 30706 1 884 . 1 . 1 95 95 LEU H H 1 7.553 0.003 . 1 . . 149 . A 95 LEU H . 30706 1 885 . 1 . 1 95 95 LEU HA H 1 3.990 0.003 . 1 . . 627 . A 95 LEU HA . 30706 1 886 . 1 . 1 95 95 LEU HB2 H 1 1.686 0.002 . 2 . . 628 . A 95 LEU HB2 . 30706 1 887 . 1 . 1 95 95 LEU HB3 H 1 1.119 0.004 . 2 . . 629 . A 95 LEU HB3 . 30706 1 888 . 1 . 1 95 95 LEU HG H 1 1.352 0.005 . 1 . . 631 . A 95 LEU HG . 30706 1 889 . 1 . 1 95 95 LEU HD11 H 1 0.613 0.005 . 2 . . 633 . A 95 LEU HD11 . 30706 1 890 . 1 . 1 95 95 LEU HD12 H 1 0.613 0.005 . 2 . . 633 . A 95 LEU HD12 . 30706 1 891 . 1 . 1 95 95 LEU HD13 H 1 0.613 0.005 . 2 . . 633 . A 95 LEU HD13 . 30706 1 892 . 1 . 1 95 95 LEU HD21 H 1 0.552 0.006 . 2 . . 635 . A 95 LEU HD21 . 30706 1 893 . 1 . 1 95 95 LEU HD22 H 1 0.552 0.006 . 2 . . 635 . A 95 LEU HD22 . 30706 1 894 . 1 . 1 95 95 LEU HD23 H 1 0.552 0.006 . 2 . . 635 . A 95 LEU HD23 . 30706 1 895 . 1 . 1 95 95 LEU CA C 13 57.019 0.03 . 1 . . 222 . A 95 LEU CA . 30706 1 896 . 1 . 1 95 95 LEU CB C 13 41.121 0.036 . 1 . . 221 . A 95 LEU CB . 30706 1 897 . 1 . 1 95 95 LEU CG C 13 26.026 0.012 . 1 . . 630 . A 95 LEU CG . 30706 1 898 . 1 . 1 95 95 LEU CD1 C 13 26.258 0.04 . 2 . . 632 . A 95 LEU CD1 . 30706 1 899 . 1 . 1 95 95 LEU CD2 C 13 21.356 0.016 . 2 . . 634 . A 95 LEU CD2 . 30706 1 900 . 1 . 1 95 95 LEU N N 15 116.731 0.022 . 1 . . 150 . A 95 LEU N . 30706 1 901 . 1 . 1 96 96 GLN H H 1 7.756 0.003 . 1 . . 139 . A 96 GLN H . 30706 1 902 . 1 . 1 96 96 GLN HA H 1 4.007 0.005 . 1 . . 757 . A 96 GLN HA . 30706 1 903 . 1 . 1 96 96 GLN HB2 H 1 2.176 0.006 . 2 . . 758 . A 96 GLN HB2 . 30706 1 904 . 1 . 1 96 96 GLN HB3 H 1 2.243 0.002 . 2 . . 759 . A 96 GLN HB3 . 30706 1 905 . 1 . 1 96 96 GLN HG2 H 1 2.591 0.004 . 2 . . 762 . A 96 GLN HG2 . 30706 1 906 . 1 . 1 96 96 GLN HG3 H 1 2.402 0.004 . 2 . . 763 . A 96 GLN HG3 . 30706 1 907 . 1 . 1 96 96 GLN CA C 13 56.899 0.053 . 1 . . 756 . A 96 GLN CA . 30706 1 908 . 1 . 1 96 96 GLN CB C 13 28.784 0.082 . 1 . . 760 . A 96 GLN CB . 30706 1 909 . 1 . 1 96 96 GLN CG C 13 34.479 0.015 . 1 . . 761 . A 96 GLN CG . 30706 1 910 . 1 . 1 96 96 GLN N N 15 115.539 0.01 . 1 . . 140 . A 96 GLN N . 30706 1 911 . 1 . 1 97 97 LYS H H 1 7.289 0.003 . 1 . . 41 . A 97 LYS H . 30706 1 912 . 1 . 1 97 97 LYS HA H 1 4.117 0.002 . 1 . . 1023 . A 97 LYS HA . 30706 1 913 . 1 . 1 97 97 LYS HB2 H 1 1.650 0.003 . 1 . . 1022 . A 97 LYS HB2 . 30706 1 914 . 1 . 1 97 97 LYS HG2 H 1 1.360 0.004 . 1 . . 1025 . A 97 LYS HG2 . 30706 1 915 . 1 . 1 97 97 LYS HD2 H 1 1.579 0.007 . 1 . . 1027 . A 97 LYS HD2 . 30706 1 916 . 1 . 1 97 97 LYS HE2 H 1 2.878 0.002 . 1 . . 1029 . A 97 LYS HE2 . 30706 1 917 . 1 . 1 97 97 LYS CA C 13 57.508 0.051 . 1 . . 280 . A 97 LYS CA . 30706 1 918 . 1 . 1 97 97 LYS CB C 13 31.909 0.058 . 1 . . 279 . A 97 LYS CB . 30706 1 919 . 1 . 1 97 97 LYS CG C 13 24.602 0.046 . 1 . . 1024 . A 97 LYS CG . 30706 1 920 . 1 . 1 97 97 LYS CD C 13 28.996 0.033 . 1 . . 1026 . A 97 LYS CD . 30706 1 921 . 1 . 1 97 97 LYS CE C 13 42.076 0.034 . 1 . . 1028 . A 97 LYS CE . 30706 1 922 . 1 . 1 97 97 LYS N N 15 115.995 0.015 . 1 . . 42 . A 97 LYS N . 30706 1 923 . 1 . 1 98 98 TYR H H 1 7.353 0.004 . 1 . . 197 . A 98 TYR H . 30706 1 924 . 1 . 1 98 98 TYR HA H 1 4.352 0.002 . 1 . . 636 . A 98 TYR HA . 30706 1 925 . 1 . 1 98 98 TYR HB2 H 1 3.199 0.002 . 2 . . 638 . A 98 TYR HB2 . 30706 1 926 . 1 . 1 98 98 TYR HB3 H 1 2.934 0.004 . 2 . . 639 . A 98 TYR HB3 . 30706 1 927 . 1 . 1 98 98 TYR HD1 H 1 7.192 0.005 . 1 . . 1072 . A 98 TYR HD1 . 30706 1 928 . 1 . 1 98 98 TYR HD2 H 1 7.192 0.005 . 1 . . 1072 . A 98 TYR HD2 . 30706 1 929 . 1 . 1 98 98 TYR CA C 13 58.703 0.062 . 1 . . 242 . A 98 TYR CA . 30706 1 930 . 1 . 1 98 98 TYR CB C 13 38.751 0.049 . 1 . . 637 . A 98 TYR CB . 30706 1 931 . 1 . 1 98 98 TYR N N 15 116.128 0.022 . 1 . . 198 . A 98 TYR N . 30706 1 932 . 1 . 1 99 99 ALA H H 1 7.586 0.002 . 1 . . 35 . A 99 ALA H . 30706 1 933 . 1 . 1 99 99 ALA HA H 1 4.516 0.003 . 1 . . 640 . A 99 ALA HA . 30706 1 934 . 1 . 1 99 99 ALA HB1 H 1 1.130 0.006 . 1 . . 641 . A 99 ALA HB1 . 30706 1 935 . 1 . 1 99 99 ALA HB2 H 1 1.130 0.006 . 1 . . 641 . A 99 ALA HB2 . 30706 1 936 . 1 . 1 99 99 ALA HB3 H 1 1.130 0.006 . 1 . . 641 . A 99 ALA HB3 . 30706 1 937 . 1 . 1 99 99 ALA CA C 13 50.916 0.048 . 1 . . 332 . A 99 ALA CA . 30706 1 938 . 1 . 1 99 99 ALA CB C 13 22.949 0.03 . 1 . . 207 . A 99 ALA CB . 30706 1 939 . 1 . 1 99 99 ALA N N 15 119.660 0.01 . 1 . . 36 . A 99 ALA N . 30706 1 940 . 1 . 1 100 100 ASP H H 1 9.376 0.001 . 1 . . 43 . A 100 ASP H . 30706 1 941 . 1 . 1 100 100 ASP HA H 1 4.635 0.002 . 1 . . 642 . A 100 ASP HA . 30706 1 942 . 1 . 1 100 100 ASP HB2 H 1 2.717 0.002 . 2 . . 643 . A 100 ASP HB2 . 30706 1 943 . 1 . 1 100 100 ASP HB3 H 1 2.594 0.002 . 2 . . 645 . A 100 ASP HB3 . 30706 1 944 . 1 . 1 100 100 ASP CA C 13 55.543 0.073 . 1 . . 286 . A 100 ASP CA . 30706 1 945 . 1 . 1 100 100 ASP CB C 13 41.322 0.023 . 1 . . 644 . A 100 ASP CB . 30706 1 946 . 1 . 1 100 100 ASP N N 15 120.743 0.007 . 1 . . 44 . A 100 ASP N . 30706 1 947 . 1 . 1 101 101 ALA H H 1 7.996 0.002 . 1 . . 175 . A 101 ALA H . 30706 1 948 . 1 . 1 101 101 ALA HA H 1 4.263 0.003 . 1 . . 646 . A 101 ALA HA . 30706 1 949 . 1 . 1 101 101 ALA HB1 H 1 1.175 0.006 . 1 . . 647 . A 101 ALA HB1 . 30706 1 950 . 1 . 1 101 101 ALA HB2 H 1 1.175 0.006 . 1 . . 647 . A 101 ALA HB2 . 30706 1 951 . 1 . 1 101 101 ALA HB3 H 1 1.175 0.006 . 1 . . 647 . A 101 ALA HB3 . 30706 1 952 . 1 . 1 101 101 ALA CA C 13 51.744 0.071 . 1 . . 648 . A 101 ALA CA . 30706 1 953 . 1 . 1 101 101 ALA CB C 13 19.552 0.051 . 1 . . 285 . A 101 ALA CB . 30706 1 954 . 1 . 1 101 101 ALA N N 15 123.480 0.006 . 1 . . 176 . A 101 ALA N . 30706 1 955 . 1 . 1 102 102 GLU H H 1 7.818 0.003 . 1 . . 29 . A 102 GLU H . 30706 1 956 . 1 . 1 102 102 GLU HA H 1 4.290 0.004 . 1 . . 828 . A 102 GLU HA . 30706 1 957 . 1 . 1 102 102 GLU HB2 H 1 2.155 0.004 . 2 . . 829 . A 102 GLU HB2 . 30706 1 958 . 1 . 1 102 102 GLU HB3 H 1 2.067 0.003 . 2 . . 831 . A 102 GLU HB3 . 30706 1 959 . 1 . 1 102 102 GLU HG2 H 1 2.426 0.007 . 2 . . 833 . A 102 GLU HG2 . 30706 1 960 . 1 . 1 102 102 GLU HG3 H 1 2.098 0.003 . 2 . . 834 . A 102 GLU HG3 . 30706 1 961 . 1 . 1 102 102 GLU CA C 13 57.412 0.075 . 1 . . 827 . A 102 GLU CA . 30706 1 962 . 1 . 1 102 102 GLU CB C 13 30.794 0.028 . 1 . . 830 . A 102 GLU CB . 30706 1 963 . 1 . 1 102 102 GLU CG C 13 36.526 0.059 . 1 . . 832 . A 102 GLU CG . 30706 1 964 . 1 . 1 102 102 GLU N N 15 120.787 0.008 . 1 . . 30 . A 102 GLU N . 30706 1 965 . 1 . 1 103 103 VAL H H 1 8.741 0.003 . 1 . . 185 . A 103 VAL H . 30706 1 966 . 1 . 1 103 103 VAL HA H 1 4.871 0.003 . 1 . . 649 . A 103 VAL HA . 30706 1 967 . 1 . 1 103 103 VAL HB H 1 1.725 0.005 . 1 . . 650 . A 103 VAL HB . 30706 1 968 . 1 . 1 103 103 VAL HG11 H 1 0.837 0.006 . 2 . . 652 . A 103 VAL HG11 . 30706 1 969 . 1 . 1 103 103 VAL HG12 H 1 0.837 0.006 . 2 . . 652 . A 103 VAL HG12 . 30706 1 970 . 1 . 1 103 103 VAL HG13 H 1 0.837 0.006 . 2 . . 652 . A 103 VAL HG13 . 30706 1 971 . 1 . 1 103 103 VAL HG21 H 1 0.654 0.007 . 2 . . 654 . A 103 VAL HG21 . 30706 1 972 . 1 . 1 103 103 VAL HG22 H 1 0.654 0.007 . 2 . . 654 . A 103 VAL HG22 . 30706 1 973 . 1 . 1 103 103 VAL HG23 H 1 0.654 0.007 . 2 . . 654 . A 103 VAL HG23 . 30706 1 974 . 1 . 1 103 103 VAL CA C 13 61.201 0.089 . 1 . . 273 . A 103 VAL CA . 30706 1 975 . 1 . 1 103 103 VAL CB C 13 34.256 0.055 . 1 . . 272 . A 103 VAL CB . 30706 1 976 . 1 . 1 103 103 VAL CG1 C 13 22.109 0.028 . 2 . . 651 . A 103 VAL CG1 . 30706 1 977 . 1 . 1 103 103 VAL CG2 C 13 22.016 0.028 . 2 . . 653 . A 103 VAL CG2 . 30706 1 978 . 1 . 1 103 103 VAL N N 15 127.333 0.014 . 1 . . 186 . A 103 VAL N . 30706 1 979 . 1 . 1 104 104 ARG H H 1 8.806 0.003 . 1 . . 93 . A 104 ARG H . 30706 1 980 . 1 . 1 104 104 ARG HA H 1 4.778 0.003 . 1 . . 721 . A 104 ARG HA . 30706 1 981 . 1 . 1 104 104 ARG HB2 H 1 1.659 0.008 . 2 . . 722 . A 104 ARG HB2 . 30706 1 982 . 1 . 1 104 104 ARG HB3 H 1 1.629 0.006 . 2 . . 723 . A 104 ARG HB3 . 30706 1 983 . 1 . 1 104 104 ARG HG2 H 1 1.527 0.005 . 1 . . 725 . A 104 ARG HG2 . 30706 1 984 . 1 . 1 104 104 ARG HD2 H 1 3.158 0.003 . 2 . . 727 . A 104 ARG HD2 . 30706 1 985 . 1 . 1 104 104 ARG HD3 H 1 3.014 0.003 . 2 . . 728 . A 104 ARG HD3 . 30706 1 986 . 1 . 1 104 104 ARG CA C 13 53.858 0.067 . 1 . . 227 . A 104 ARG CA . 30706 1 987 . 1 . 1 104 104 ARG CB C 13 33.435 0.029 . 1 . . 228 . A 104 ARG CB . 30706 1 988 . 1 . 1 104 104 ARG CG C 13 26.652 0.013 . 1 . . 724 . A 104 ARG CG . 30706 1 989 . 1 . 1 104 104 ARG CD C 13 43.674 0.035 . 1 . . 726 . A 104 ARG CD . 30706 1 990 . 1 . 1 104 104 ARG N N 15 127.097 0.014 . 1 . . 94 . A 104 ARG N . 30706 1 991 . 1 . 1 105 105 VAL H H 1 9.106 0.003 . 1 . . 161 . A 105 VAL H . 30706 1 992 . 1 . 1 105 105 VAL HA H 1 4.948 0.003 . 1 . . 655 . A 105 VAL HA . 30706 1 993 . 1 . 1 105 105 VAL HB H 1 1.870 0.003 . 1 . . 656 . A 105 VAL HB . 30706 1 994 . 1 . 1 105 105 VAL HG11 H 1 0.843 0.006 . 2 . . 658 . A 105 VAL HG11 . 30706 1 995 . 1 . 1 105 105 VAL HG12 H 1 0.843 0.006 . 2 . . 658 . A 105 VAL HG12 . 30706 1 996 . 1 . 1 105 105 VAL HG13 H 1 0.843 0.006 . 2 . . 658 . A 105 VAL HG13 . 30706 1 997 . 1 . 1 105 105 VAL HG21 H 1 0.805 0.006 . 2 . . 660 . A 105 VAL HG21 . 30706 1 998 . 1 . 1 105 105 VAL HG22 H 1 0.805 0.006 . 2 . . 660 . A 105 VAL HG22 . 30706 1 999 . 1 . 1 105 105 VAL HG23 H 1 0.805 0.006 . 2 . . 660 . A 105 VAL HG23 . 30706 1 1000 . 1 . 1 105 105 VAL CA C 13 60.729 0.036 . 1 . . 258 . A 105 VAL CA . 30706 1 1001 . 1 . 1 105 105 VAL CB C 13 33.509 0.057 . 1 . . 333 . A 105 VAL CB . 30706 1 1002 . 1 . 1 105 105 VAL CG1 C 13 22.266 0.033 . 2 . . 657 . A 105 VAL CG1 . 30706 1 1003 . 1 . 1 105 105 VAL CG2 C 13 22.305 0.016 . 2 . . 659 . A 105 VAL CG2 . 30706 1 1004 . 1 . 1 105 105 VAL N N 15 124.372 0.01 . 1 . . 162 . A 105 VAL N . 30706 1 1005 . 1 . 1 106 106 ARG H H 1 9.202 0.004 . 1 . . 151 . A 106 ARG H . 30706 1 1006 . 1 . 1 106 106 ARG HA H 1 4.493 0.003 . 1 . . 730 . A 106 ARG HA . 30706 1 1007 . 1 . 1 106 106 ARG HB2 H 1 1.017 0.003 . 2 . . 731 . A 106 ARG HB2 . 30706 1 1008 . 1 . 1 106 106 ARG HB3 H 1 0.631 0.005 . 2 . . 732 . A 106 ARG HB3 . 30706 1 1009 . 1 . 1 106 106 ARG HG2 H 1 0.769 0.006 . 2 . . 733 . A 106 ARG HG2 . 30706 1 1010 . 1 . 1 106 106 ARG HG3 H 1 0.496 0.006 . 2 . . 735 . A 106 ARG HG3 . 30706 1 1011 . 1 . 1 106 106 ARG HD2 H 1 2.620 0.003 . 2 . . 737 . A 106 ARG HD2 . 30706 1 1012 . 1 . 1 106 106 ARG HD3 H 1 1.577 0.003 . 2 . . 738 . A 106 ARG HD3 . 30706 1 1013 . 1 . 1 106 106 ARG CA C 13 53.166 0.054 . 1 . . 729 . A 106 ARG CA . 30706 1 1014 . 1 . 1 106 106 ARG CB C 13 33.291 0.02 . 1 . . 214 . A 106 ARG CB . 30706 1 1015 . 1 . 1 106 106 ARG CG C 13 26.626 0.018 . 1 . . 734 . A 106 ARG CG . 30706 1 1016 . 1 . 1 106 106 ARG CD C 13 42.511 0.03 . 1 . . 736 . A 106 ARG CD . 30706 1 1017 . 1 . 1 106 106 ARG N N 15 127.375 0.012 . 1 . . 152 . A 106 ARG N . 30706 1 1018 . 1 . 1 107 107 THR H H 1 8.414 0.004 . 1 . . 87 . A 107 THR H . 30706 1 1019 . 1 . 1 107 107 THR HA H 1 4.944 0.003 . 1 . . 661 . A 107 THR HA . 30706 1 1020 . 1 . 1 107 107 THR HB H 1 3.861 0.005 . 1 . . 662 . A 107 THR HB . 30706 1 1021 . 1 . 1 107 107 THR HG21 H 1 0.964 0.005 . 1 . . 664 . A 107 THR HG1 . 30706 1 1022 . 1 . 1 107 107 THR HG22 H 1 0.964 0.005 . 1 . . 664 . A 107 THR HG1 . 30706 1 1023 . 1 . 1 107 107 THR HG23 H 1 0.964 0.005 . 1 . . 664 . A 107 THR HG1 . 30706 1 1024 . 1 . 1 107 107 THR CA C 13 62.432 0.069 . 1 . . 204 . A 107 THR CA . 30706 1 1025 . 1 . 1 107 107 THR CB C 13 69.848 0.042 . 1 . . 203 . A 107 THR CB . 30706 1 1026 . 1 . 1 107 107 THR CG2 C 13 21.747 0.007 . 1 . . 663 . A 107 THR CG2 . 30706 1 1027 . 1 . 1 107 107 THR N N 15 118.760 0.033 . 1 . . 88 . A 107 THR N . 30706 1 1028 . 1 . 1 108 108 VAL H H 1 9.105 0.002 . 1 . . 15 . A 108 VAL H . 30706 1 1029 . 1 . 1 108 108 VAL HA H 1 4.874 0.004 . 1 . . 666 . A 108 VAL HA . 30706 1 1030 . 1 . 1 108 108 VAL HB H 1 2.136 0.005 . 1 . . 665 . A 108 VAL HB . 30706 1 1031 . 1 . 1 108 108 VAL HG11 H 1 1.019 0.003 . 2 . . 668 . A 108 VAL HG11 . 30706 1 1032 . 1 . 1 108 108 VAL HG12 H 1 1.019 0.003 . 2 . . 668 . A 108 VAL HG12 . 30706 1 1033 . 1 . 1 108 108 VAL HG13 H 1 1.019 0.003 . 2 . . 668 . A 108 VAL HG13 . 30706 1 1034 . 1 . 1 108 108 VAL HG21 H 1 0.926 0.007 . 2 . . 670 . A 108 VAL HG21 . 30706 1 1035 . 1 . 1 108 108 VAL HG22 H 1 0.926 0.007 . 2 . . 670 . A 108 VAL HG22 . 30706 1 1036 . 1 . 1 108 108 VAL HG23 H 1 0.926 0.007 . 2 . . 670 . A 108 VAL HG23 . 30706 1 1037 . 1 . 1 108 108 VAL CA C 13 59.375 0.08 . 1 . . 278 . A 108 VAL CA . 30706 1 1038 . 1 . 1 108 108 VAL CB C 13 35.444 0.059 . 1 . . 277 . A 108 VAL CB . 30706 1 1039 . 1 . 1 108 108 VAL CG1 C 13 24.297 0.02 . 2 . . 667 . A 108 VAL CG1 . 30706 1 1040 . 1 . 1 108 108 VAL CG2 C 13 20.580 0.03 . 2 . . 669 . A 108 VAL CG2 . 30706 1 1041 . 1 . 1 108 108 VAL N N 15 120.886 0.013 . 1 . . 16 . A 108 VAL N . 30706 1 1042 . 1 . 1 109 109 THR H H 1 9.032 0.002 . 1 . . 131 . A 109 THR H . 30706 1 1043 . 1 . 1 109 109 THR HA H 1 4.681 0.003 . 1 . . 671 . A 109 THR HA . 30706 1 1044 . 1 . 1 109 109 THR HB H 1 4.463 0.003 . 1 . . 672 . A 109 THR HB . 30706 1 1045 . 1 . 1 109 109 THR HG21 H 1 1.248 0.002 . 1 . . 674 . A 109 THR HG21 . 30706 1 1046 . 1 . 1 109 109 THR HG22 H 1 1.248 0.002 . 1 . . 674 . A 109 THR HG22 . 30706 1 1047 . 1 . 1 109 109 THR HG23 H 1 1.248 0.002 . 1 . . 674 . A 109 THR HG23 . 30706 1 1048 . 1 . 1 109 109 THR CA C 13 61.207 0.068 . 1 . . 261 . A 109 THR CA . 30706 1 1049 . 1 . 1 109 109 THR CB C 13 70.531 0.061 . 1 . . 262 . A 109 THR CB . 30706 1 1050 . 1 . 1 109 109 THR CG2 C 13 21.653 0.037 . 1 . . 673 . A 109 THR CG2 . 30706 1 1051 . 1 . 1 109 109 THR N N 15 111.923 0.019 . 1 . . 132 . A 109 THR N . 30706 1 1052 . 1 . 1 110 110 SER H H 1 7.595 0.003 . 1 . . 165 . A 110 SER H . 30706 1 1053 . 1 . 1 110 110 SER HA H 1 5.104 0.001 . 1 . . 677 . A 110 SER HA . 30706 1 1054 . 1 . 1 110 110 SER HB2 H 1 3.993 0.005 . 2 . . 675 . A 110 SER HB2 . 30706 1 1055 . 1 . 1 110 110 SER HB3 H 1 4.215 0.003 . 2 . . 676 . A 110 SER HB3 . 30706 1 1056 . 1 . 1 110 110 SER CA C 13 56.284 0.044 . 1 . . 334 . A 110 SER CA . 30706 1 1057 . 1 . 1 110 110 SER CB C 13 64.221 0.047 . 1 . . 335 . A 110 SER CB . 30706 1 1058 . 1 . 1 110 110 SER N N 15 114.295 0.007 . 1 . . 166 . A 110 SER N . 30706 1 1059 . 1 . 1 111 111 PRO HA H 1 4.167 0.002 . 1 . . 680 . A 111 PRO HA . 30706 1 1060 . 1 . 1 111 111 PRO HB2 H 1 2.120 0.006 . 2 . . 678 . A 111 PRO HB2 . 30706 1 1061 . 1 . 1 111 111 PRO HB3 H 1 2.178 0.007 . 2 . . 679 . A 111 PRO HB3 . 30706 1 1062 . 1 . 1 111 111 PRO HG2 H 1 2.201 0.005 . 2 . . 681 . A 111 PRO HG2 . 30706 1 1063 . 1 . 1 111 111 PRO HG3 H 1 1.734 0.005 . 2 . . 682 . A 111 PRO HG3 . 30706 1 1064 . 1 . 1 111 111 PRO HD2 H 1 3.963 0.007 . 2 . . 685 . A 111 PRO HD2 . 30706 1 1065 . 1 . 1 111 111 PRO HD3 H 1 4.012 0.003 . 2 . . 686 . A 111 PRO HD3 . 30706 1 1066 . 1 . 1 111 111 PRO CA C 13 65.392 0.021 . 1 . . 343 . A 111 PRO CA . 30706 1 1067 . 1 . 1 111 111 PRO CB C 13 31.968 0.027 . 1 . . 342 . A 111 PRO CB . 30706 1 1068 . 1 . 1 111 111 PRO CG C 13 27.977 0.018 . 1 . . 683 . A 111 PRO CG . 30706 1 1069 . 1 . 1 111 111 PRO CD C 13 50.798 0.015 . 1 . . 684 . A 111 PRO CD . 30706 1 1070 . 1 . 1 112 112 ASP H H 1 8.070 0.003 . 1 . . 145 . A 112 ASP H . 30706 1 1071 . 1 . 1 112 112 ASP HA H 1 4.273 0.005 . 1 . . 688 . A 112 ASP HA . 30706 1 1072 . 1 . 1 112 112 ASP HB2 H 1 2.525 0.003 . 1 . . 689 . A 112 ASP HB2 . 30706 1 1073 . 1 . 1 112 112 ASP CA C 13 57.498 0.047 . 1 . . 687 . A 112 ASP CA . 30706 1 1074 . 1 . 1 112 112 ASP CB C 13 40.559 0.064 . 1 . . 215 . A 112 ASP CB . 30706 1 1075 . 1 . 1 112 112 ASP N N 15 115.357 0.011 . 1 . . 146 . A 112 ASP N . 30706 1 1076 . 1 . 1 113 113 GLU H H 1 7.739 0.003 . 1 . . 97 . A 113 GLU H . 30706 1 1077 . 1 . 1 113 113 GLU HA H 1 3.740 0.004 . 1 . . 836 . A 113 GLU HA . 30706 1 1078 . 1 . 1 113 113 GLU HB2 H 1 2.075 0.005 . 2 . . 841 . A 113 GLU HB2 . 30706 1 1079 . 1 . 1 113 113 GLU HB3 H 1 2.013 0.007 . 2 . . 842 . A 113 GLU HB3 . 30706 1 1080 . 1 . 1 113 113 GLU HG2 H 1 2.175 0.005 . 2 . . 837 . A 113 GLU HG2 . 30706 1 1081 . 1 . 1 113 113 GLU HG3 H 1 2.037 0.006 . 2 . . 839 . A 113 GLU HG3 . 30706 1 1082 . 1 . 1 113 113 GLU CA C 13 59.056 0.066 . 1 . . 835 . A 113 GLU CA . 30706 1 1083 . 1 . 1 113 113 GLU CB C 13 30.337 0.056 . 1 . . 840 . A 113 GLU CB . 30706 1 1084 . 1 . 1 113 113 GLU CG C 13 37.303 0.023 . 1 . . 838 . A 113 GLU CG . 30706 1 1085 . 1 . 1 113 113 GLU N N 15 120.468 0.016 . 1 . . 98 . A 113 GLU N . 30706 1 1086 . 1 . 1 114 114 ALA H H 1 7.473 0.004 . 1 . . 103 . A 114 ALA H . 30706 1 1087 . 1 . 1 114 114 ALA HA H 1 3.985 0.002 . 1 . . 691 . A 114 ALA HA . 30706 1 1088 . 1 . 1 114 114 ALA HB1 H 1 1.399 0.006 . 1 . . 692 . A 114 ALA HB1 . 30706 1 1089 . 1 . 1 114 114 ALA HB2 H 1 1.399 0.006 . 1 . . 692 . A 114 ALA HB2 . 30706 1 1090 . 1 . 1 114 114 ALA HB3 H 1 1.399 0.006 . 1 . . 692 . A 114 ALA HB3 . 30706 1 1091 . 1 . 1 114 114 ALA CA C 13 55.872 0.055 . 1 . . 690 . A 114 ALA CA . 30706 1 1092 . 1 . 1 114 114 ALA CB C 13 17.577 0.031 . 1 . . 284 . A 114 ALA CB . 30706 1 1093 . 1 . 1 114 114 ALA N N 15 119.260 0.013 . 1 . . 104 . A 114 ALA N . 30706 1 1094 . 1 . 1 115 115 LYS H H 1 7.995 0.004 . 1 . . 153 . A 115 LYS H . 30706 1 1095 . 1 . 1 115 115 LYS HA H 1 3.717 0.006 . 1 . . 1030 . A 115 LYS HA . 30706 1 1096 . 1 . 1 115 115 LYS HB2 H 1 1.874 0.007 . 1 . . 1032 . A 115 LYS HB2 . 30706 1 1097 . 1 . 1 115 115 LYS HG2 H 1 1.341 0.003 . 2 . . 1033 . A 115 LYS HG2 . 30706 1 1098 . 1 . 1 115 115 LYS HG3 H 1 1.626 0.002 . 2 . . 1035 . A 115 LYS HG3 . 30706 1 1099 . 1 . 1 115 115 LYS HD2 H 1 1.750 0.003 . 1 . . 1037 . A 115 LYS HD2 . 30706 1 1100 . 1 . 1 115 115 LYS HE2 H 1 2.859 0.001 . 2 . . 1038 . A 115 LYS HE2 . 30706 1 1101 . 1 . 1 115 115 LYS HE3 H 1 2.964 0.005 . 2 . . 1040 . A 115 LYS HE3 . 30706 1 1102 . 1 . 1 115 115 LYS CA C 13 60.715 0.042 . 1 . . 314 . A 115 LYS CA . 30706 1 1103 . 1 . 1 115 115 LYS CB C 13 32.302 0.034 . 1 . . 1031 . A 115 LYS CB . 30706 1 1104 . 1 . 1 115 115 LYS CG C 13 25.345 0.006 . 1 . . 1034 . A 115 LYS CG . 30706 1 1105 . 1 . 1 115 115 LYS CD C 13 29.690 0.015 . 1 . . 1036 . A 115 LYS CD . 30706 1 1106 . 1 . 1 115 115 LYS CE C 13 41.976 0.01 . 1 . . 1039 . A 115 LYS CE . 30706 1 1107 . 1 . 1 115 115 LYS N N 15 115.093 0.014 . 1 . . 154 . A 115 LYS N . 30706 1 1108 . 1 . 1 116 116 ARG H H 1 7.516 0.005 . 1 . . 113 . A 116 ARG H . 30706 1 1109 . 1 . 1 116 116 ARG HA H 1 3.916 0.007 . 1 . . 740 . A 116 ARG HA . 30706 1 1110 . 1 . 1 116 116 ARG HB2 H 1 1.566 0.003 . 2 . . 741 . A 116 ARG HB2 . 30706 1 1111 . 1 . 1 116 116 ARG HB3 H 1 1.701 0.004 . 2 . . 743 . A 116 ARG HB3 . 30706 1 1112 . 1 . 1 116 116 ARG HG2 H 1 1.513 0.005 . 2 . . 745 . A 116 ARG HG2 . 30706 1 1113 . 1 . 1 116 116 ARG HG3 H 1 1.178 0.003 . 2 . . 746 . A 116 ARG HG3 . 30706 1 1114 . 1 . 1 116 116 ARG HD2 H 1 2.707 0.004 . 2 . . 748 . A 116 ARG HD2 . 30706 1 1115 . 1 . 1 116 116 ARG HD3 H 1 2.549 0.004 . 2 . . 749 . A 116 ARG HD3 . 30706 1 1116 . 1 . 1 116 116 ARG CA C 13 59.729 0.024 . 1 . . 739 . A 116 ARG CA . 30706 1 1117 . 1 . 1 116 116 ARG CB C 13 29.531 0.025 . 1 . . 742 . A 116 ARG CB . 30706 1 1118 . 1 . 1 116 116 ARG CG C 13 27.113 0.04 . 1 . . 744 . A 116 ARG CG . 30706 1 1119 . 1 . 1 116 116 ARG CD C 13 43.352 0.023 . 1 . . 747 . A 116 ARG CD . 30706 1 1120 . 1 . 1 116 116 ARG N N 15 119.110 0.006 . 1 . . 114 . A 116 ARG N . 30706 1 1121 . 1 . 1 117 117 TRP H H 1 8.171 0.003 . 1 . . 17 . A 117 TRP H . 30706 1 1122 . 1 . 1 117 117 TRP HA H 1 4.844 0.006 . 1 . . 693 . A 117 TRP HA . 30706 1 1123 . 1 . 1 117 117 TRP HB2 H 1 3.249 0.004 . 2 . . 694 . A 117 TRP HB2 . 30706 1 1124 . 1 . 1 117 117 TRP HB3 H 1 3.150 0.004 . 2 . . 695 . A 117 TRP HB3 . 30706 1 1125 . 1 . 1 117 117 TRP HD1 H 1 6.855 0.003 . 1 . . 1073 . A 117 TRP HD1 . 30706 1 1126 . 1 . 1 117 117 TRP HE1 H 1 10.140 0.002 . 1 . . 1054 . A 117 TRP HE1 . 30706 1 1127 . 1 . 1 117 117 TRP HE3 H 1 7.595 . . 1 . . 1055 . A 117 TRP HE3 . 30706 1 1128 . 1 . 1 117 117 TRP HZ2 H 1 7.310 . . 1 . . 1074 . A 117 TRP HZ2 . 30706 1 1129 . 1 . 1 117 117 TRP CA C 13 59.047 0.061 . 1 . . 336 . A 117 TRP CA . 30706 1 1130 . 1 . 1 117 117 TRP CB C 13 30.610 0.051 . 1 . . 244 . A 117 TRP CB . 30706 1 1131 . 1 . 1 117 117 TRP N N 15 118.031 0.019 . 1 . . 18 . A 117 TRP N . 30706 1 1132 . 1 . 1 117 117 TRP NE1 N 15 127.776 0.013 . 1 . . 1053 . A 117 TRP NE1 . 30706 1 1133 . 1 . 1 118 118 ILE H H 1 8.351 0.004 . 1 . . 47 . A 118 ILE H . 30706 1 1134 . 1 . 1 118 118 ILE HA H 1 3.553 0.003 . 1 . . 696 . A 118 ILE HA . 30706 1 1135 . 1 . 1 118 118 ILE HB H 1 1.833 0.004 . 1 . . 697 . A 118 ILE HB . 30706 1 1136 . 1 . 1 118 118 ILE HG12 H 1 2.083 0.004 . 2 . . 699 . A 118 ILE HG12 . 30706 1 1137 . 1 . 1 118 118 ILE HG13 H 1 0.764 0.014 . 2 . . 700 . A 118 ILE HG13 . 30706 1 1138 . 1 . 1 118 118 ILE HG21 H 1 0.806 0.004 . 1 . . 702 . A 118 ILE HG21 . 30706 1 1139 . 1 . 1 118 118 ILE HG22 H 1 0.806 0.004 . 1 . . 702 . A 118 ILE HG22 . 30706 1 1140 . 1 . 1 118 118 ILE HG23 H 1 0.806 0.004 . 1 . . 702 . A 118 ILE HG23 . 30706 1 1141 . 1 . 1 118 118 ILE HD11 H 1 0.795 0.004 . 1 . . 704 . A 118 ILE HD11 . 30706 1 1142 . 1 . 1 118 118 ILE HD12 H 1 0.795 0.004 . 1 . . 704 . A 118 ILE HD12 . 30706 1 1143 . 1 . 1 118 118 ILE HD13 H 1 0.795 0.004 . 1 . . 704 . A 118 ILE HD13 . 30706 1 1144 . 1 . 1 118 118 ILE CA C 13 66.381 0.01 . 1 . . 313 . A 118 ILE CA . 30706 1 1145 . 1 . 1 118 118 ILE CB C 13 38.008 0.047 . 1 . . 312 . A 118 ILE CB . 30706 1 1146 . 1 . 1 118 118 ILE CG1 C 13 30.560 0.043 . 1 . . 698 . A 118 ILE CG1 . 30706 1 1147 . 1 . 1 118 118 ILE CG2 C 13 17.843 0.039 . 1 . . 701 . A 118 ILE CG2 . 30706 1 1148 . 1 . 1 118 118 ILE CD1 C 13 13.974 0.044 . 1 . . 703 . A 118 ILE CD1 . 30706 1 1149 . 1 . 1 118 118 ILE N N 15 119.529 0.013 . 1 . . 48 . A 118 ILE N . 30706 1 1150 . 1 . 1 119 119 LYS H H 1 8.425 0.004 . 1 . . 37 . A 119 LYS H . 30706 1 1151 . 1 . 1 119 119 LYS HA H 1 3.879 0.006 . 1 . . 1042 . A 119 LYS HA . 30706 1 1152 . 1 . 1 119 119 LYS HB2 H 1 2.016 0.001 . 2 . . 1043 . A 119 LYS HB2 . 30706 1 1153 . 1 . 1 119 119 LYS HB3 H 1 1.921 0.002 . 2 . . 1045 . A 119 LYS HB3 . 30706 1 1154 . 1 . 1 119 119 LYS HG2 H 1 1.412 0.003 . 2 . . 1046 . A 119 LYS HG2 . 30706 1 1155 . 1 . 1 119 119 LYS HG3 H 1 1.336 0.007 . 2 . . 1048 . A 119 LYS HG3 . 30706 1 1156 . 1 . 1 119 119 LYS HD2 H 1 1.638 0.0 . 1 . . 1050 . A 119 LYS HD2 . 30706 1 1157 . 1 . 1 119 119 LYS HE2 H 1 2.964 0.002 . 1 . . 1052 . A 119 LYS HE2 . 30706 1 1158 . 1 . 1 119 119 LYS CA C 13 60.181 0.045 . 1 . . 1041 . A 119 LYS CA . 30706 1 1159 . 1 . 1 119 119 LYS CB C 13 32.622 0.025 . 1 . . 1044 . A 119 LYS CB . 30706 1 1160 . 1 . 1 119 119 LYS CG C 13 24.804 0.037 . 1 . . 1047 . A 119 LYS CG . 30706 1 1161 . 1 . 1 119 119 LYS CD C 13 29.610 0.001 . 1 . . 1049 . A 119 LYS CD . 30706 1 1162 . 1 . 1 119 119 LYS CE C 13 42.135 0.051 . 1 . . 1051 . A 119 LYS CE . 30706 1 1163 . 1 . 1 119 119 LYS N N 15 122.144 0.028 . 1 . . 38 . A 119 LYS N . 30706 1 1164 . 1 . 1 120 120 GLU H H 1 8.317 0.003 . 1 . . 33 . A 120 GLU H . 30706 1 1165 . 1 . 1 120 120 GLU HA H 1 4.047 0.007 . 1 . . 844 . A 120 GLU HA . 30706 1 1166 . 1 . 1 120 120 GLU HB2 H 1 2.185 0.01 . 2 . . 845 . A 120 GLU HB2 . 30706 1 1167 . 1 . 1 120 120 GLU HB3 H 1 2.238 0.008 . 2 . . 846 . A 120 GLU HB3 . 30706 1 1168 . 1 . 1 120 120 GLU HG2 H 1 2.294 0.003 . 2 . . 848 . A 120 GLU HG2 . 30706 1 1169 . 1 . 1 120 120 GLU HG3 H 1 2.549 0.001 . 2 . . 849 . A 120 GLU HG3 . 30706 1 1170 . 1 . 1 120 120 GLU CA C 13 59.594 0.094 . 1 . . 843 . A 120 GLU CA . 30706 1 1171 . 1 . 1 120 120 GLU CB C 13 30.028 0.037 . 1 . . 337 . A 120 GLU CB . 30706 1 1172 . 1 . 1 120 120 GLU CG C 13 36.904 0.053 . 1 . . 847 . A 120 GLU CG . 30706 1 1173 . 1 . 1 120 120 GLU N N 15 117.940 0.011 . 1 . . 34 . A 120 GLU N . 30706 1 1174 . 1 . 1 121 121 PHE H H 1 8.143 0.003 . 1 . . 301 . A 121 PHE H . 30706 1 1175 . 1 . 1 121 121 PHE HA H 1 4.528 0.003 . 1 . . 706 . A 121 PHE HA . 30706 1 1176 . 1 . 1 121 121 PHE HB2 H 1 3.485 0.006 . 2 . . 707 . A 121 PHE HB2 . 30706 1 1177 . 1 . 1 121 121 PHE HB3 H 1 3.191 0.004 . 2 . . 708 . A 121 PHE HB3 . 30706 1 1178 . 1 . 1 121 121 PHE HD1 H 1 7.128 0.006 . 1 . . 1070 . A 121 PHE HD1 . 30706 1 1179 . 1 . 1 121 121 PHE HD2 H 1 7.128 0.006 . 1 . . 1070 . A 121 PHE HD2 . 30706 1 1180 . 1 . 1 121 121 PHE CA C 13 59.563 0.063 . 1 . . 705 . A 121 PHE CA . 30706 1 1181 . 1 . 1 121 121 PHE CB C 13 41.002 0.02 . 1 . . 311 . A 121 PHE CB . 30706 1 1182 . 1 . 1 121 121 PHE N N 15 119.262 0.049 . 1 . . 302 . A 121 PHE N . 30706 1 1183 . 1 . 1 122 122 SER H H 1 8.062 0.002 . 1 . . 65 . A 122 SER H . 30706 1 1184 . 1 . 1 122 122 SER HA H 1 3.998 0.006 . 1 . . 709 . A 122 SER HA . 30706 1 1185 . 1 . 1 122 122 SER HB2 H 1 3.883 0.004 . 2 . . 710 . A 122 SER HB2 . 30706 1 1186 . 1 . 1 122 122 SER HB3 H 1 4.056 0.005 . 2 . . 711 . A 122 SER HB3 . 30706 1 1187 . 1 . 1 122 122 SER CA C 13 60.061 0.024 . 1 . . 248 . A 122 SER CA . 30706 1 1188 . 1 . 1 122 122 SER CB C 13 64.305 0.045 . 1 . . 249 . A 122 SER CB . 30706 1 1189 . 1 . 1 122 122 SER N N 15 110.773 0.005 . 1 . . 66 . A 122 SER N . 30706 1 1190 . 1 . 1 123 123 GLU H H 1 7.513 0.005 . 1 . . 71 . A 123 GLU H . 30706 1 1191 . 1 . 1 123 123 GLU HA H 1 4.357 0.002 . 1 . . 853 . A 123 GLU HA . 30706 1 1192 . 1 . 1 123 123 GLU HB2 H 1 2.148 0.003 . 2 . . 851 . A 123 GLU HB2 . 30706 1 1193 . 1 . 1 123 123 GLU HB3 H 1 1.968 0.003 . 2 . . 852 . A 123 GLU HB3 . 30706 1 1194 . 1 . 1 123 123 GLU HG2 H 1 2.237 0.002 . 2 . . 854 . A 123 GLU HG2 . 30706 1 1195 . 1 . 1 123 123 GLU HG3 H 1 2.493 0.004 . 2 . . 856 . A 123 GLU HG3 . 30706 1 1196 . 1 . 1 123 123 GLU CA C 13 56.457 0.039 . 1 . . 309 . A 123 GLU CA . 30706 1 1197 . 1 . 1 123 123 GLU CB C 13 30.610 0.086 . 1 . . 850 . A 123 GLU CB . 30706 1 1198 . 1 . 1 123 123 GLU CG C 13 36.605 0.014 . 1 . . 855 . A 123 GLU CG . 30706 1 1199 . 1 . 1 123 123 GLU N N 15 120.718 0.01 . 1 . . 72 . A 123 GLU N . 30706 1 1200 . 1 . 1 124 124 GLU H H 1 7.408 0.004 . 1 . . 135 . A 124 GLU H . 30706 1 1201 . 1 . 1 124 124 GLU HA H 1 4.007 0.002 . 1 . . 858 . A 124 GLU HA . 30706 1 1202 . 1 . 1 124 124 GLU HB2 H 1 2.011 0.004 . 2 . . 860 . A 124 GLU HB2 . 30706 1 1203 . 1 . 1 124 124 GLU HB3 H 1 1.982 0.001 . 2 . . 861 . A 124 GLU HB3 . 30706 1 1204 . 1 . 1 124 124 GLU HG2 H 1 2.286 0.002 . 2 . . 862 . A 124 GLU HG2 . 30706 1 1205 . 1 . 1 124 124 GLU HG3 H 1 2.407 0.003 . 2 . . 864 . A 124 GLU HG3 . 30706 1 1206 . 1 . 1 124 124 GLU CA C 13 58.904 0.019 . 1 . . 857 . A 124 GLU CA . 30706 1 1207 . 1 . 1 124 124 GLU CB C 13 30.665 0.032 . 1 . . 859 . A 124 GLU CB . 30706 1 1208 . 1 . 1 124 124 GLU CG C 13 36.987 0.026 . 1 . . 863 . A 124 GLU CG . 30706 1 1209 . 1 . 1 124 124 GLU N N 15 126.081 0.011 . 1 . . 136 . A 124 GLU N . 30706 1 stop_ save_