data_34480 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34480 _Entry.Title ; Solution structure of Legionella pneumophila NttA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-16 _Entry.Accession_date 2020-01-16 _Entry.Last_release_date 2020-07-19 _Entry.Original_release_date 2020-07-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 T. Portlock T. J. . . 34480 2 J. Garnett J. A. . . 34480 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Legionella pneumophila' . 34480 'Type II Secretion System' . 34480 'UNKNOWN FUNCTION' . 34480 'Virulence factor' . 34480 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34480 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 485 34480 '15N chemical shifts' 103 34480 '1H chemical shifts' 754 34480 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 . . 2020-08-15 2020-01-16 update BMRB 'update entry citation' 34480 1 . . 2020-07-20 2020-01-16 original author 'original release' 34480 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6XTT 'BMRB Entry Tracking System' 34480 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34480 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32656228 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure, Dynamics and Cellular Insight Into Novel Substrates of the Legionella pneumophila Type II Secretion System ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Biosci.' _Citation.Journal_name_full 'Frontiers in molecular biosciences' _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2296-889X _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 112 _Citation.Page_last 112 _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 Theo Portlock T. J. . . 34480 1 2 Jessica Tyson J. Y. . . 34480 1 3 Sarath Dantu S. C. . . 34480 1 4 Saima Rehman S. . . . 34480 1 5 Richard White R. C. . . 34480 1 6 Ian McIntire I. E. . . 34480 1 7 Lee Sewell L. . . . 34480 1 8 Katherine Richardson K. . . . 34480 1 9 Rosie Shaw R. . . . 34480 1 10 Alessandro Pandini A. . . . 34480 1 11 Nicholas Cianciotto N. P. . . 34480 1 12 James Garnett J. A. . . 34480 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34480 _Assembly.ID 1 _Assembly.Name 'Uncharacterized protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A B yes . . . . . . 34480 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 42 42 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . . . 34480 1 2 disulfide single . 1 . 1 CYS 76 76 SG . 1 . 1 CYS 103 103 SG . . . . . . . . . . . . 34480 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34480 _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 B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHVDDDDKMEDTAN PNEMTKDAWLNSMTPLLPDL ICKGFIQDPDLKKRFDEIKM TYEQCVTLIPESTKKCQDEL YASMPDKINSETAGTWGRSL GECIGKDFAEKHLIPK ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13333.118 _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 -14 MET . 34480 1 2 -13 ALA . 34480 1 3 -12 HIS . 34480 1 4 -11 HIS . 34480 1 5 -10 HIS . 34480 1 6 -9 HIS . 34480 1 7 -8 HIS . 34480 1 8 -7 HIS . 34480 1 9 -6 VAL . 34480 1 10 -5 ASP . 34480 1 11 -4 ASP . 34480 1 12 -3 ASP . 34480 1 13 -2 ASP . 34480 1 14 -1 LYS . 34480 1 15 0 MET . 34480 1 16 1 GLU . 34480 1 17 2 ASP . 34480 1 18 3 THR . 34480 1 19 4 ALA . 34480 1 20 5 ASN . 34480 1 21 6 PRO . 34480 1 22 7 ASN . 34480 1 23 8 GLU . 34480 1 24 9 MET . 34480 1 25 10 THR . 34480 1 26 11 LYS . 34480 1 27 12 ASP . 34480 1 28 13 ALA . 34480 1 29 14 TRP . 34480 1 30 15 LEU . 34480 1 31 16 ASN . 34480 1 32 17 SER . 34480 1 33 18 MET . 34480 1 34 19 THR . 34480 1 35 20 PRO . 34480 1 36 21 LEU . 34480 1 37 22 LEU . 34480 1 38 23 PRO . 34480 1 39 24 ASP . 34480 1 40 25 LEU . 34480 1 41 26 ILE . 34480 1 42 27 CYS . 34480 1 43 28 LYS . 34480 1 44 29 GLY . 34480 1 45 30 PHE . 34480 1 46 31 ILE . 34480 1 47 32 GLN . 34480 1 48 33 ASP . 34480 1 49 34 PRO . 34480 1 50 35 ASP . 34480 1 51 36 LEU . 34480 1 52 37 LYS . 34480 1 53 38 LYS . 34480 1 54 39 ARG . 34480 1 55 40 PHE . 34480 1 56 41 ASP . 34480 1 57 42 GLU . 34480 1 58 43 ILE . 34480 1 59 44 LYS . 34480 1 60 45 MET . 34480 1 61 46 THR . 34480 1 62 47 TYR . 34480 1 63 48 GLU . 34480 1 64 49 GLN . 34480 1 65 50 CYS . 34480 1 66 51 VAL . 34480 1 67 52 THR . 34480 1 68 53 LEU . 34480 1 69 54 ILE . 34480 1 70 55 PRO . 34480 1 71 56 GLU . 34480 1 72 57 SER . 34480 1 73 58 THR . 34480 1 74 59 LYS . 34480 1 75 60 LYS . 34480 1 76 61 CYS . 34480 1 77 62 GLN . 34480 1 78 63 ASP . 34480 1 79 64 GLU . 34480 1 80 65 LEU . 34480 1 81 66 TYR . 34480 1 82 67 ALA . 34480 1 83 68 SER . 34480 1 84 69 MET . 34480 1 85 70 PRO . 34480 1 86 71 ASP . 34480 1 87 72 LYS . 34480 1 88 73 ILE . 34480 1 89 74 ASN . 34480 1 90 75 SER . 34480 1 91 76 GLU . 34480 1 92 77 THR . 34480 1 93 78 ALA . 34480 1 94 79 GLY . 34480 1 95 80 THR . 34480 1 96 81 TRP . 34480 1 97 82 GLY . 34480 1 98 83 ARG . 34480 1 99 84 SER . 34480 1 100 85 LEU . 34480 1 101 86 GLY . 34480 1 102 87 GLU . 34480 1 103 88 CYS . 34480 1 104 89 ILE . 34480 1 105 90 GLY . 34480 1 106 91 LYS . 34480 1 107 92 ASP . 34480 1 108 93 PHE . 34480 1 109 94 ALA . 34480 1 110 95 GLU . 34480 1 111 96 LYS . 34480 1 112 97 HIS . 34480 1 113 98 LEU . 34480 1 114 99 ILE . 34480 1 115 100 PRO . 34480 1 116 101 LYS . 34480 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 34480 1 . ALA 2 2 34480 1 . HIS 3 3 34480 1 . HIS 4 4 34480 1 . HIS 5 5 34480 1 . HIS 6 6 34480 1 . HIS 7 7 34480 1 . HIS 8 8 34480 1 . VAL 9 9 34480 1 . ASP 10 10 34480 1 . ASP 11 11 34480 1 . ASP 12 12 34480 1 . ASP 13 13 34480 1 . LYS 14 14 34480 1 . MET 15 15 34480 1 . GLU 16 16 34480 1 . ASP 17 17 34480 1 . THR 18 18 34480 1 . ALA 19 19 34480 1 . ASN 20 20 34480 1 . PRO 21 21 34480 1 . ASN 22 22 34480 1 . GLU 23 23 34480 1 . MET 24 24 34480 1 . THR 25 25 34480 1 . LYS 26 26 34480 1 . ASP 27 27 34480 1 . ALA 28 28 34480 1 . TRP 29 29 34480 1 . LEU 30 30 34480 1 . ASN 31 31 34480 1 . SER 32 32 34480 1 . MET 33 33 34480 1 . THR 34 34 34480 1 . PRO 35 35 34480 1 . LEU 36 36 34480 1 . LEU 37 37 34480 1 . PRO 38 38 34480 1 . ASP 39 39 34480 1 . LEU 40 40 34480 1 . ILE 41 41 34480 1 . CYS 42 42 34480 1 . LYS 43 43 34480 1 . GLY 44 44 34480 1 . PHE 45 45 34480 1 . ILE 46 46 34480 1 . GLN 47 47 34480 1 . ASP 48 48 34480 1 . PRO 49 49 34480 1 . ASP 50 50 34480 1 . LEU 51 51 34480 1 . LYS 52 52 34480 1 . LYS 53 53 34480 1 . ARG 54 54 34480 1 . PHE 55 55 34480 1 . ASP 56 56 34480 1 . GLU 57 57 34480 1 . ILE 58 58 34480 1 . LYS 59 59 34480 1 . MET 60 60 34480 1 . THR 61 61 34480 1 . TYR 62 62 34480 1 . GLU 63 63 34480 1 . GLN 64 64 34480 1 . CYS 65 65 34480 1 . VAL 66 66 34480 1 . THR 67 67 34480 1 . LEU 68 68 34480 1 . ILE 69 69 34480 1 . PRO 70 70 34480 1 . GLU 71 71 34480 1 . SER 72 72 34480 1 . THR 73 73 34480 1 . LYS 74 74 34480 1 . LYS 75 75 34480 1 . CYS 76 76 34480 1 . GLN 77 77 34480 1 . ASP 78 78 34480 1 . GLU 79 79 34480 1 . LEU 80 80 34480 1 . TYR 81 81 34480 1 . ALA 82 82 34480 1 . SER 83 83 34480 1 . MET 84 84 34480 1 . PRO 85 85 34480 1 . ASP 86 86 34480 1 . LYS 87 87 34480 1 . ILE 88 88 34480 1 . ASN 89 89 34480 1 . SER 90 90 34480 1 . GLU 91 91 34480 1 . THR 92 92 34480 1 . ALA 93 93 34480 1 . GLY 94 94 34480 1 . THR 95 95 34480 1 . TRP 96 96 34480 1 . GLY 97 97 34480 1 . ARG 98 98 34480 1 . SER 99 99 34480 1 . LEU 100 100 34480 1 . GLY 101 101 34480 1 . GLU 102 102 34480 1 . CYS 103 103 34480 1 . ILE 104 104 34480 1 . GLY 105 105 34480 1 . LYS 106 106 34480 1 . ASP 107 107 34480 1 . PHE 108 108 34480 1 . ALA 109 109 34480 1 . GLU 110 110 34480 1 . LYS 111 111 34480 1 . HIS 112 112 34480 1 . LEU 113 113 34480 1 . ILE 114 114 34480 1 . PRO 115 115 34480 1 . LYS 116 116 34480 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 34480 _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 . 446 organism . 'Legionella pneumophila' 'Legionella pneumophila' . . Bacteria . Legionella pneumophila . . . . . . . . . . . . ; C3926_06540, C3927_06155, D7214_02725, DI056_01550, DI105_01550, ERS240541_00078, ERS253249_02720, NCTC12000_01505, NCTC12024_01284 ; 34480 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 34480 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 34480 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34480 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-99% 13C; U-99% 15N] NttA, 50 mM sodium phosphate, 50 mM sodium chloride, 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 NttA '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . . 0.4 . . mM . . . . 34480 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34480 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34480 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 34480 _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' 100 . mM 34480 1 pH 7.0 . pH 34480 1 pressure 1 . atm 34480 1 temperature 310 . K 34480 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34480 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34480 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34480 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34480 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34480 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34480 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34480 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34480 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34480 3 . 'peak picking' 34480 3 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 34480 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34480 _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 III' . 700 . . . 34480 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 34480 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 1 5 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34480 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 34480 _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 0.251449530 . . . . . 34480 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34480 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34480 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 34480 _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' . . . 34480 1 2 '3D CBCA(CO)NH' . . . 34480 1 3 '3D HNCO' . . . 34480 1 4 '3D HCCH-TOCSY' . . . 34480 1 5 '3D CCH-TOCSY' . . . 34480 1 6 '3D HNCA' . . . 34480 1 7 '3D HN(CO)CA' . . . 34480 1 8 '3D HNCACB' . . . 34480 1 9 '3D 1H-13C NOESY' . . . 34480 1 10 '3D 1H-15N NOESY' . . . 34480 1 11 '2D 1H-13C HSQC' . . . 34480 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 8 8 HIS HA H 1 4.594 0.027 . 1 . . 34 . B -7 HIS HA . 34480 1 2 . 1 . 1 8 8 HIS HB2 H 1 3.000 0.021 . 1 . . 37 . B -7 HIS HB2 . 34480 1 3 . 1 . 1 8 8 HIS HB3 H 1 3.000 0.021 . 1 . . 36 . B -7 HIS HB3 . 34480 1 4 . 1 . 1 8 8 HIS C C 13 174.821 0.0 . 1 . . 38 . B -7 HIS C . 34480 1 5 . 1 . 1 8 8 HIS CA C 13 56.389 . . 1 . . 33 . B -7 HIS CA . 34480 1 6 . 1 . 1 8 8 HIS CB C 13 30.983 0.001 . 1 . . 35 . B -7 HIS CB . 34480 1 7 . 1 . 1 9 9 VAL H H 1 7.979 0.014 . 1 . . 40 . B -6 VAL H . 34480 1 8 . 1 . 1 9 9 VAL HA H 1 4.086 0.009 . 1 . . 42 . B -6 VAL HA . 34480 1 9 . 1 . 1 9 9 VAL HB H 1 2.022 0.013 . 1 . . 44 . B -6 VAL HB . 34480 1 10 . 1 . 1 9 9 VAL HG11 H 1 0.860 0.016 . 2 . . 48 . B -6 VAL HG11 . 34480 1 11 . 1 . 1 9 9 VAL HG12 H 1 0.860 0.016 . 2 . . 48 . B -6 VAL HG12 . 34480 1 12 . 1 . 1 9 9 VAL HG13 H 1 0.860 0.016 . 2 . . 48 . B -6 VAL HG13 . 34480 1 13 . 1 . 1 9 9 VAL HG21 H 1 0.860 0.016 . 2 . . 46 . B -6 VAL HG21 . 34480 1 14 . 1 . 1 9 9 VAL HG22 H 1 0.860 0.016 . 2 . . 46 . B -6 VAL HG22 . 34480 1 15 . 1 . 1 9 9 VAL HG23 H 1 0.860 0.016 . 2 . . 46 . B -6 VAL HG23 . 34480 1 16 . 1 . 1 9 9 VAL C C 13 175.484 0.0 . 1 . . 49 . B -6 VAL C . 34480 1 17 . 1 . 1 9 9 VAL CA C 13 61.135 0.021 . 1 . . 41 . B -6 VAL CA . 34480 1 18 . 1 . 1 9 9 VAL CB C 13 32.484 0.365 . 1 . . 43 . B -6 VAL CB . 34480 1 19 . 1 . 1 9 9 VAL CG1 C 13 21.292 . . 2 . . 47 . B -6 VAL CG1 . 34480 1 20 . 1 . 1 9 9 VAL CG2 C 13 21.370 . . 2 . . 45 . B -6 VAL CG2 . 34480 1 21 . 1 . 1 9 9 VAL N N 15 121.648 0.115 . 1 . . 39 . B -6 VAL N . 34480 1 22 . 1 . 1 10 10 ASP H H 1 8.368 0.037 . 1 . . 51 . B -5 ASP H . 34480 1 23 . 1 . 1 10 10 ASP HA H 1 4.572 0.048 . 1 . . 53 . B -5 ASP HA . 34480 1 24 . 1 . 1 10 10 ASP HB2 H 1 2.594 0.03 . 2 . . 56 . B -5 ASP HB2 . 34480 1 25 . 1 . 1 10 10 ASP HB3 H 1 2.737 0.021 . 2 . . 55 . B -5 ASP HB3 . 34480 1 26 . 1 . 1 10 10 ASP C C 13 175.984 0.0 . 1 . . 57 . B -5 ASP C . 34480 1 27 . 1 . 1 10 10 ASP CA C 13 54.707 0.0 . 1 . . 52 . B -5 ASP CA . 34480 1 28 . 1 . 1 10 10 ASP CB C 13 41.124 0.336 . 1 . . 54 . B -5 ASP CB . 34480 1 29 . 1 . 1 10 10 ASP N N 15 123.581 0.018 . 1 . . 50 . B -5 ASP N . 34480 1 30 . 1 . 1 11 11 ASP H H 1 8.251 0.027 . 1 . . 59 . B -4 ASP H . 34480 1 31 . 1 . 1 11 11 ASP HA H 1 4.528 . . 1 . . 61 . B -4 ASP HA . 34480 1 32 . 1 . 1 11 11 ASP HB2 H 1 2.645 0.018 . 1 . . 64 . B -4 ASP HB2 . 34480 1 33 . 1 . 1 11 11 ASP HB3 H 1 2.645 0.018 . 1 . . 63 . B -4 ASP HB3 . 34480 1 34 . 1 . 1 11 11 ASP C C 13 176.268 . . 1 . . 65 . B -4 ASP C . 34480 1 35 . 1 . 1 11 11 ASP CA C 13 54.571 0.0 . 1 . . 60 . B -4 ASP CA . 34480 1 36 . 1 . 1 11 11 ASP CB C 13 41.187 0.004 . 1 . . 62 . B -4 ASP CB . 34480 1 37 . 1 . 1 11 11 ASP N N 15 120.441 0.036 . 1 . . 58 . B -4 ASP N . 34480 1 38 . 1 . 1 12 12 ASP H H 1 8.255 0.029 . 1 . . 67 . B -3 ASP H . 34480 1 39 . 1 . 1 12 12 ASP HA H 1 4.526 . . 1 . . 69 . B -3 ASP HA . 34480 1 40 . 1 . 1 12 12 ASP HB2 H 1 2.633 0.025 . 1 . . 72 . B -3 ASP HB2 . 34480 1 41 . 1 . 1 12 12 ASP HB3 H 1 2.633 0.025 . 1 . . 71 . B -3 ASP HB3 . 34480 1 42 . 1 . 1 12 12 ASP C C 13 176.200 . . 1 . . 73 . B -3 ASP C . 34480 1 43 . 1 . 1 12 12 ASP CA C 13 54.707 0.0 . 1 . . 68 . B -3 ASP CA . 34480 1 44 . 1 . 1 12 12 ASP CB C 13 41.187 0.004 . 1 . . 70 . B -3 ASP CB . 34480 1 45 . 1 . 1 12 12 ASP N N 15 120.441 0.036 . 1 . . 66 . B -3 ASP N . 34480 1 46 . 1 . 1 13 13 ASP H H 1 8.204 0.013 . 1 . . 75 . B -2 ASP H . 34480 1 47 . 1 . 1 13 13 ASP HA H 1 4.621 . . 1 . . 77 . B -2 ASP HA . 34480 1 48 . 1 . 1 13 13 ASP HB2 H 1 2.672 0.006 . 2 . . 80 . B -2 ASP HB2 . 34480 1 49 . 1 . 1 13 13 ASP HB3 H 1 2.665 0.014 . 2 . . 79 . B -2 ASP HB3 . 34480 1 50 . 1 . 1 13 13 ASP C C 13 176.133 0.0 . 1 . . 81 . B -2 ASP C . 34480 1 51 . 1 . 1 13 13 ASP CA C 13 54.585 0.0 . 1 . . 76 . B -2 ASP CA . 34480 1 52 . 1 . 1 13 13 ASP CB C 13 41.079 0.049 . 1 . . 78 . B -2 ASP CB . 34480 1 53 . 1 . 1 13 13 ASP N N 15 120.489 0.041 . 1 . . 74 . B -2 ASP N . 34480 1 54 . 1 . 1 14 14 LYS H H 1 8.057 0.025 . 1 . . 83 . B -1 LYS H . 34480 1 55 . 1 . 1 14 14 LYS HA H 1 4.302 0.03 . 1 . . 85 . B -1 LYS HA . 34480 1 56 . 1 . 1 14 14 LYS HB2 H 1 1.792 0.018 . 2 . . 88 . B -1 LYS HB2 . 34480 1 57 . 1 . 1 14 14 LYS HB3 H 1 1.947 0.021 . 2 . . 87 . B -1 LYS HB3 . 34480 1 58 . 1 . 1 14 14 LYS HG2 H 1 1.412 0.01 . 2 . . 91 . B -1 LYS HG2 . 34480 1 59 . 1 . 1 14 14 LYS HG3 H 1 1.416 0.01 . 2 . . 90 . B -1 LYS HG3 . 34480 1 60 . 1 . 1 14 14 LYS HD2 H 1 1.542 0.024 . 2 . . 94 . B -1 LYS HD2 . 34480 1 61 . 1 . 1 14 14 LYS HD3 H 1 1.547 0.029 . 2 . . 93 . B -1 LYS HD3 . 34480 1 62 . 1 . 1 14 14 LYS HE2 H 1 3.098 0.017 . 2 . . 97 . B -1 LYS HE2 . 34480 1 63 . 1 . 1 14 14 LYS HE3 H 1 3.092 0.021 . 2 . . 96 . B -1 LYS HE3 . 34480 1 64 . 1 . 1 14 14 LYS C C 13 176.633 0.0 . 1 . . 98 . B -1 LYS C . 34480 1 65 . 1 . 1 14 14 LYS CA C 13 56.548 0.224 . 1 . . 84 . B -1 LYS CA . 34480 1 66 . 1 . 1 14 14 LYS CB C 13 32.527 0.475 . 1 . . 86 . B -1 LYS CB . 34480 1 67 . 1 . 1 14 14 LYS CG C 13 24.855 . . 1 . . 89 . B -1 LYS CG . 34480 1 68 . 1 . 1 14 14 LYS CD C 13 28.828 0.377 . 1 . . 92 . B -1 LYS CD . 34480 1 69 . 1 . 1 14 14 LYS CE C 13 42.629 0.053 . 1 . . 95 . B -1 LYS CE . 34480 1 70 . 1 . 1 14 14 LYS N N 15 120.762 0.087 . 1 . . 82 . B -1 LYS N . 34480 1 71 . 1 . 1 15 15 MET H H 1 8.287 0.014 . 1 . . 100 . B 0 MET H . 34480 1 72 . 1 . 1 15 15 MET HA H 1 4.447 0.031 . 1 . . 102 . B 0 MET HA . 34480 1 73 . 1 . 1 15 15 MET HB2 H 1 2.085 0.032 . 2 . . 105 . B 0 MET HB2 . 34480 1 74 . 1 . 1 15 15 MET HB3 H 1 2.085 0.032 . 2 . . 104 . B 0 MET HB3 . 34480 1 75 . 1 . 1 15 15 MET HG2 H 1 2.509 0.033 . 2 . . 108 . B 0 MET HG2 . 34480 1 76 . 1 . 1 15 15 MET HG3 H 1 2.509 0.033 . 2 . . 107 . B 0 MET HG3 . 34480 1 77 . 1 . 1 15 15 MET C C 13 176.227 0.0 . 1 . . 110 . B 0 MET C . 34480 1 78 . 1 . 1 15 15 MET CA C 13 55.889 0.39 . 1 . . 101 . B 0 MET CA . 34480 1 79 . 1 . 1 15 15 MET CB C 13 32.725 0.38 . 1 . . 103 . B 0 MET CB . 34480 1 80 . 1 . 1 15 15 MET CG C 13 32.827 . . 1 . . 106 . B 0 MET CG . 34480 1 81 . 1 . 1 15 15 MET CE C 13 32.280 . . 1 . . 109 . B 0 MET CE . 34480 1 82 . 1 . 1 15 15 MET N N 15 121.080 0.13 . 1 . . 99 . B 0 MET N . 34480 1 83 . 1 . 1 16 16 GLU H H 1 8.367 0.029 . 1 . . 112 . B 1 GLU H . 34480 1 84 . 1 . 1 16 16 GLU HA H 1 4.258 0.038 . 1 . . 114 . B 1 GLU HA . 34480 1 85 . 1 . 1 16 16 GLU HB2 H 1 2.079 0.043 . 2 . . 117 . B 1 GLU HB2 . 34480 1 86 . 1 . 1 16 16 GLU HB3 H 1 1.933 0.002 . 2 . . 116 . B 1 GLU HB3 . 34480 1 87 . 1 . 1 16 16 GLU HG2 H 1 2.254 0.03 . 1 . . 120 . B 1 GLU HG2 . 34480 1 88 . 1 . 1 16 16 GLU HG3 H 1 2.254 0.03 . 1 . . 119 . B 1 GLU HG3 . 34480 1 89 . 1 . 1 16 16 GLU C C 13 176.133 0.0 . 1 . . 121 . B 1 GLU C . 34480 1 90 . 1 . 1 16 16 GLU CA C 13 57.107 0.285 . 1 . . 113 . B 1 GLU CA . 34480 1 91 . 1 . 1 16 16 GLU CB C 13 30.644 0.074 . 1 . . 115 . B 1 GLU CB . 34480 1 92 . 1 . 1 16 16 GLU CG C 13 36.564 0.04 . 1 . . 118 . B 1 GLU CG . 34480 1 93 . 1 . 1 16 16 GLU N N 15 121.977 0.007 . 1 . . 111 . B 1 GLU N . 34480 1 94 . 1 . 1 17 17 ASP H H 1 8.383 0.011 . 1 . . 123 . B 2 ASP H . 34480 1 95 . 1 . 1 17 17 ASP HA H 1 4.660 0.0 . 1 . . 125 . B 2 ASP HA . 34480 1 96 . 1 . 1 17 17 ASP HB2 H 1 2.633 0.03 . 2 . . 128 . B 2 ASP HB2 . 34480 1 97 . 1 . 1 17 17 ASP HB3 H 1 2.774 0.022 . 2 . . 127 . B 2 ASP HB3 . 34480 1 98 . 1 . 1 17 17 ASP C C 13 176.579 0.0 . 1 . . 129 . B 2 ASP C . 34480 1 99 . 1 . 1 17 17 ASP CA C 13 54.421 . . 1 . . 124 . B 2 ASP CA . 34480 1 100 . 1 . 1 17 17 ASP CB C 13 41.503 0.361 . 1 . . 126 . B 2 ASP CB . 34480 1 101 . 1 . 1 17 17 ASP N N 15 121.969 0.03 . 1 . . 122 . B 2 ASP N . 34480 1 102 . 1 . 1 18 18 THR H H 1 8.047 0.023 . 1 . . 131 . B 3 THR H . 34480 1 103 . 1 . 1 18 18 THR HA H 1 4.286 0.039 . 1 . . 133 . B 3 THR HA . 34480 1 104 . 1 . 1 18 18 THR HB H 1 4.390 0.025 . 1 . . 135 . B 3 THR HB . 34480 1 105 . 1 . 1 18 18 THR HG21 H 1 1.208 0.026 . 1 . . 137 . B 3 THR HG21 . 34480 1 106 . 1 . 1 18 18 THR HG22 H 1 1.208 0.026 . 1 . . 137 . B 3 THR HG22 . 34480 1 107 . 1 . 1 18 18 THR HG23 H 1 1.208 0.026 . 1 . . 137 . B 3 THR HG23 . 34480 1 108 . 1 . 1 18 18 THR C C 13 174.362 0.0 . 1 . . 138 . B 3 THR C . 34480 1 109 . 1 . 1 18 18 THR CA C 13 62.154 0.33 . 1 . . 132 . B 3 THR CA . 34480 1 110 . 1 . 1 18 18 THR CB C 13 69.524 0.0 . 1 . . 134 . B 3 THR CB . 34480 1 111 . 1 . 1 18 18 THR CG2 C 13 22.083 . . 1 . . 136 . B 3 THR CG2 . 34480 1 112 . 1 . 1 18 18 THR N N 15 114.263 0.01 . 1 . . 130 . B 3 THR N . 34480 1 113 . 1 . 1 19 19 ALA H H 1 8.189 0.004 . 1 . . 140 . B 4 ALA H . 34480 1 114 . 1 . 1 19 19 ALA HA H 1 4.322 . . 1 . . 142 . B 4 ALA HA . 34480 1 115 . 1 . 1 19 19 ALA HB1 H 1 1.359 0.022 . 1 . . 144 . B 4 ALA HB1 . 34480 1 116 . 1 . 1 19 19 ALA HB2 H 1 1.359 0.022 . 1 . . 144 . B 4 ALA HB2 . 34480 1 117 . 1 . 1 19 19 ALA HB3 H 1 1.359 0.022 . 1 . . 144 . B 4 ALA HB3 . 34480 1 118 . 1 . 1 19 19 ALA C C 13 177.092 0.0 . 1 . . 145 . B 4 ALA C . 34480 1 119 . 1 . 1 19 19 ALA CA C 13 52.532 0.001 . 1 . . 141 . B 4 ALA CA . 34480 1 120 . 1 . 1 19 19 ALA CB C 13 18.562 0.113 . 1 . . 143 . B 4 ALA CB . 34480 1 121 . 1 . 1 19 19 ALA N N 15 126.037 0.021 . 1 . . 139 . B 4 ALA N . 34480 1 122 . 1 . 1 20 20 ASN H H 1 8.308 0.013 . 1 . . 147 . B 5 ASN H . 34480 1 123 . 1 . 1 20 20 ASN HA H 1 4.980 0.019 . 1 . . 149 . B 5 ASN HA . 34480 1 124 . 1 . 1 20 20 ASN HB2 H 1 2.734 0.031 . 2 . . 152 . B 5 ASN HB2 . 34480 1 125 . 1 . 1 20 20 ASN HB3 H 1 2.880 0.029 . 2 . . 151 . B 5 ASN HB3 . 34480 1 126 . 1 . 1 20 20 ASN C C 13 173.577 . . 1 . . 153 . B 5 ASN C . 34480 1 127 . 1 . 1 20 20 ASN CA C 13 51.219 0.073 . 1 . . 148 . B 5 ASN CA . 34480 1 128 . 1 . 1 20 20 ASN CB C 13 39.553 0.469 . 1 . . 150 . B 5 ASN CB . 34480 1 129 . 1 . 1 20 20 ASN N N 15 118.988 0.0 . 1 . . 146 . B 5 ASN N . 34480 1 130 . 1 . 1 21 21 PRO HA H 1 4.469 0.006 . 1 . . 155 . B 6 PRO HA . 34480 1 131 . 1 . 1 21 21 PRO HB2 H 1 1.863 0.029 . 2 . . 158 . B 6 PRO HB2 . 34480 1 132 . 1 . 1 21 21 PRO HB3 H 1 2.363 0.029 . 2 . . 157 . B 6 PRO HB3 . 34480 1 133 . 1 . 1 21 21 PRO HG2 H 1 2.114 0.013 . 2 . . 161 . B 6 PRO HG2 . 34480 1 134 . 1 . 1 21 21 PRO HG3 H 1 2.120 0.018 . 2 . . 160 . B 6 PRO HG3 . 34480 1 135 . 1 . 1 21 21 PRO HD2 H 1 3.837 0.04 . 2 . . 164 . B 6 PRO HD2 . 34480 1 136 . 1 . 1 21 21 PRO HD3 H 1 3.863 0.029 . 2 . . 163 . B 6 PRO HD3 . 34480 1 137 . 1 . 1 21 21 PRO C C 13 176.768 0.0 . 1 . . 165 . B 6 PRO C . 34480 1 138 . 1 . 1 21 21 PRO CA C 13 63.647 . . 1 . . 154 . B 6 PRO CA . 34480 1 139 . 1 . 1 21 21 PRO CB C 13 31.946 0.281 . 1 . . 156 . B 6 PRO CB . 34480 1 140 . 1 . 1 21 21 PRO CG C 13 27.826 0.129 . 1 . . 159 . B 6 PRO CG . 34480 1 141 . 1 . 1 21 21 PRO CD C 13 50.740 0.039 . 1 . . 162 . B 6 PRO CD . 34480 1 142 . 1 . 1 22 22 ASN H H 1 8.436 0.001 . 1 . . 167 . B 7 ASN H . 34480 1 143 . 1 . 1 22 22 ASN HA H 1 4.663 . . 1 . . 169 . B 7 ASN HA . 34480 1 144 . 1 . 1 22 22 ASN HB2 H 1 2.821 0.045 . 2 . . 172 . B 7 ASN HB2 . 34480 1 145 . 1 . 1 22 22 ASN HB3 H 1 2.922 0.038 . 2 . . 171 . B 7 ASN HB3 . 34480 1 146 . 1 . 1 22 22 ASN C C 13 174.456 0.0 . 1 . . 173 . B 7 ASN C . 34480 1 147 . 1 . 1 22 22 ASN CA C 13 53.765 0.0 . 1 . . 168 . B 7 ASN CA . 34480 1 148 . 1 . 1 22 22 ASN CB C 13 38.674 0.282 . 1 . . 170 . B 7 ASN CB . 34480 1 149 . 1 . 1 22 22 ASN N N 15 117.489 0.008 . 1 . . 166 . B 7 ASN N . 34480 1 150 . 1 . 1 23 23 GLU H H 1 7.806 0.03 . 1 . . 175 . B 8 GLU H . 34480 1 151 . 1 . 1 23 23 GLU HA H 1 4.731 0.005 . 1 . . 177 . B 8 GLU HA . 34480 1 152 . 1 . 1 23 23 GLU HB2 H 1 1.916 0.032 . 2 . . 180 . B 8 GLU HB2 . 34480 1 153 . 1 . 1 23 23 GLU HB3 H 1 1.916 0.032 . 2 . . 179 . B 8 GLU HB3 . 34480 1 154 . 1 . 1 23 23 GLU HG2 H 1 2.093 0.023 . 2 . . 183 . B 8 GLU HG2 . 34480 1 155 . 1 . 1 23 23 GLU HG3 H 1 2.090 0.019 . 2 . . 182 . B 8 GLU HG3 . 34480 1 156 . 1 . 1 23 23 GLU C C 13 175.051 0.0 . 1 . . 184 . B 8 GLU C . 34480 1 157 . 1 . 1 23 23 GLU CA C 13 55.733 . . 1 . . 176 . B 8 GLU CA . 34480 1 158 . 1 . 1 23 23 GLU CB C 13 32.165 0.058 . 1 . . 178 . B 8 GLU CB . 34480 1 159 . 1 . 1 23 23 GLU CG C 13 36.818 0.018 . 1 . . 181 . B 8 GLU CG . 34480 1 160 . 1 . 1 23 23 GLU N N 15 118.746 0.256 . 1 . . 174 . B 8 GLU N . 34480 1 161 . 1 . 1 24 24 MET H H 1 8.514 0.018 . 1 . . 186 . B 9 MET H . 34480 1 162 . 1 . 1 24 24 MET HA H 1 4.871 0.012 . 1 . . 188 . B 9 MET HA . 34480 1 163 . 1 . 1 24 24 MET HB2 H 1 1.956 0.009 . 2 . . 191 . B 9 MET HB2 . 34480 1 164 . 1 . 1 24 24 MET HB3 H 1 2.279 0.003 . 2 . . 190 . B 9 MET HB3 . 34480 1 165 . 1 . 1 24 24 MET HG2 H 1 2.601 0.036 . 1 . . 194 . B 9 MET HG2 . 34480 1 166 . 1 . 1 24 24 MET HG3 H 1 2.601 0.036 . 1 . . 193 . B 9 MET HG3 . 34480 1 167 . 1 . 1 24 24 MET HE1 H 1 1.566 0.023 . 1 . . 196 . B 9 MET HE1 . 34480 1 168 . 1 . 1 24 24 MET HE2 H 1 1.566 0.023 . 1 . . 196 . B 9 MET HE2 . 34480 1 169 . 1 . 1 24 24 MET HE3 H 1 1.566 0.023 . 1 . . 196 . B 9 MET HE3 . 34480 1 170 . 1 . 1 24 24 MET C C 13 175.619 0.0 . 1 . . 197 . B 9 MET C . 34480 1 171 . 1 . 1 24 24 MET CA C 13 54.362 0.01 . 1 . . 187 . B 9 MET CA . 34480 1 172 . 1 . 1 24 24 MET CB C 13 37.484 0.305 . 1 . . 189 . B 9 MET CB . 34480 1 173 . 1 . 1 24 24 MET CG C 13 31.708 0.105 . 1 . . 192 . B 9 MET CG . 34480 1 174 . 1 . 1 24 24 MET CE C 13 18.589 0.038 . 1 . . 195 . B 9 MET CE . 34480 1 175 . 1 . 1 24 24 MET N N 15 120.847 0.188 . 1 . . 185 . B 9 MET N . 34480 1 176 . 1 . 1 25 25 THR H H 1 8.583 0.02 . 1 . . 199 . B 10 THR H . 34480 1 177 . 1 . 1 25 25 THR HA H 1 4.687 0.021 . 1 . . 201 . B 10 THR HA . 34480 1 178 . 1 . 1 25 25 THR HB H 1 4.851 0.008 . 1 . . 203 . B 10 THR HB . 34480 1 179 . 1 . 1 25 25 THR HG21 H 1 1.425 0.021 . 1 . . 205 . B 10 THR HG21 . 34480 1 180 . 1 . 1 25 25 THR HG22 H 1 1.425 0.021 . 1 . . 205 . B 10 THR HG22 . 34480 1 181 . 1 . 1 25 25 THR HG23 H 1 1.425 0.021 . 1 . . 205 . B 10 THR HG23 . 34480 1 182 . 1 . 1 25 25 THR C C 13 175.930 0.0 . 1 . . 206 . B 10 THR C . 34480 1 183 . 1 . 1 25 25 THR CA C 13 61.965 . . 1 . . 200 . B 10 THR CA . 34480 1 184 . 1 . 1 25 25 THR CB C 13 70.287 0.0 . 1 . . 202 . B 10 THR CB . 34480 1 185 . 1 . 1 25 25 THR CG2 C 13 22.711 0.279 . 1 . . 204 . B 10 THR CG2 . 34480 1 186 . 1 . 1 25 25 THR N N 15 112.362 0.047 . 1 . . 198 . B 10 THR N . 34480 1 187 . 1 . 1 26 26 LYS H H 1 8.101 0.026 . 1 . . 208 . B 11 LYS H . 34480 1 188 . 1 . 1 26 26 LYS HA H 1 4.079 0.014 . 1 . . 210 . B 11 LYS HA . 34480 1 189 . 1 . 1 26 26 LYS HB2 H 1 1.824 0.026 . 2 . . 213 . B 11 LYS HB2 . 34480 1 190 . 1 . 1 26 26 LYS HB3 H 1 1.970 0.025 . 2 . . 212 . B 11 LYS HB3 . 34480 1 191 . 1 . 1 26 26 LYS HG2 H 1 1.316 0.025 . 2 . . 216 . B 11 LYS HG2 . 34480 1 192 . 1 . 1 26 26 LYS HG3 H 1 1.312 0.019 . 2 . . 215 . B 11 LYS HG3 . 34480 1 193 . 1 . 1 26 26 LYS HD2 H 1 0.811 0.01 . 2 . . 219 . B 11 LYS HD2 . 34480 1 194 . 1 . 1 26 26 LYS HD3 H 1 1.320 0.026 . 2 . . 218 . B 11 LYS HD3 . 34480 1 195 . 1 . 1 26 26 LYS HE2 H 1 2.153 0.024 . 2 . . 222 . B 11 LYS HE2 . 34480 1 196 . 1 . 1 26 26 LYS HE3 H 1 2.533 0.016 . 2 . . 221 . B 11 LYS HE3 . 34480 1 197 . 1 . 1 26 26 LYS C C 13 177.620 0.0 . 1 . . 223 . B 11 LYS C . 34480 1 198 . 1 . 1 26 26 LYS CA C 13 59.939 0.288 . 1 . . 209 . B 11 LYS CA . 34480 1 199 . 1 . 1 26 26 LYS CB C 13 30.789 0.172 . 1 . . 211 . B 11 LYS CB . 34480 1 200 . 1 . 1 26 26 LYS CG C 13 23.328 0.028 . 1 . . 214 . B 11 LYS CG . 34480 1 201 . 1 . 1 26 26 LYS CD C 13 30.544 0.089 . 1 . . 217 . B 11 LYS CD . 34480 1 202 . 1 . 1 26 26 LYS CE C 13 41.990 0.059 . 1 . . 220 . B 11 LYS CE . 34480 1 203 . 1 . 1 26 26 LYS N N 15 119.930 0.007 . 1 . . 207 . B 11 LYS N . 34480 1 204 . 1 . 1 27 27 ASP H H 1 8.228 0.031 . 1 . . 225 . B 12 ASP H . 34480 1 205 . 1 . 1 27 27 ASP HA H 1 4.416 0.039 . 1 . . 227 . B 12 ASP HA . 34480 1 206 . 1 . 1 27 27 ASP HB2 H 1 2.533 0.03 . 2 . . 230 . B 12 ASP HB2 . 34480 1 207 . 1 . 1 27 27 ASP HB3 H 1 2.689 0.04 . 2 . . 229 . B 12 ASP HB3 . 34480 1 208 . 1 . 1 27 27 ASP C C 13 177.917 0.0 . 1 . . 231 . B 12 ASP C . 34480 1 209 . 1 . 1 27 27 ASP CA C 13 58.365 0.258 . 1 . . 226 . B 12 ASP CA . 34480 1 210 . 1 . 1 27 27 ASP CB C 13 40.841 0.201 . 1 . . 228 . B 12 ASP CB . 34480 1 211 . 1 . 1 27 27 ASP N N 15 117.692 0.016 . 1 . . 224 . B 12 ASP N . 34480 1 212 . 1 . 1 28 28 ALA H H 1 7.864 0.002 . 1 . . 233 . B 13 ALA H . 34480 1 213 . 1 . 1 28 28 ALA HA H 1 4.160 0.001 . 1 . . 235 . B 13 ALA HA . 34480 1 214 . 1 . 1 28 28 ALA HB1 H 1 1.558 0.022 . 1 . . 237 . B 13 ALA HB1 . 34480 1 215 . 1 . 1 28 28 ALA HB2 H 1 1.558 0.022 . 1 . . 237 . B 13 ALA HB2 . 34480 1 216 . 1 . 1 28 28 ALA HB3 H 1 1.558 0.022 . 1 . . 237 . B 13 ALA HB3 . 34480 1 217 . 1 . 1 28 28 ALA C C 13 181.040 0.0 . 1 . . 238 . B 13 ALA C . 34480 1 218 . 1 . 1 28 28 ALA CA C 13 55.125 0.009 . 1 . . 234 . B 13 ALA CA . 34480 1 219 . 1 . 1 28 28 ALA CB C 13 18.522 0.109 . 1 . . 236 . B 13 ALA CB . 34480 1 220 . 1 . 1 28 28 ALA N N 15 123.222 0.013 . 1 . . 232 . B 13 ALA N . 34480 1 221 . 1 . 1 29 29 TRP H H 1 8.926 0.022 . 1 . . 240 . B 14 TRP H . 34480 1 222 . 1 . 1 29 29 TRP HA H 1 4.242 0.016 . 1 . . 242 . B 14 TRP HA . 34480 1 223 . 1 . 1 29 29 TRP HB2 H 1 3.085 0.017 . 2 . . 245 . B 14 TRP HB2 . 34480 1 224 . 1 . 1 29 29 TRP HB3 H 1 3.388 0.007 . 2 . . 244 . B 14 TRP HB3 . 34480 1 225 . 1 . 1 29 29 TRP HD1 H 1 7.312 0.027 . 1 . . 247 . B 14 TRP HD1 . 34480 1 226 . 1 . 1 29 29 TRP HE1 H 1 10.133 0.002 . 1 . . 249 . B 14 TRP HE1 . 34480 1 227 . 1 . 1 29 29 TRP HE3 H 1 7.344 0.028 . 1 . . 257 . B 14 TRP HE3 . 34480 1 228 . 1 . 1 29 29 TRP HZ2 H 1 7.479 0.015 . 1 . . 251 . B 14 TRP HZ2 . 34480 1 229 . 1 . 1 29 29 TRP HZ3 H 1 6.925 0.032 . 1 . . 255 . B 14 TRP HZ3 . 34480 1 230 . 1 . 1 29 29 TRP HH2 H 1 6.896 0.036 . 1 . . 253 . B 14 TRP HH2 . 34480 1 231 . 1 . 1 29 29 TRP C C 13 179.215 0.0 . 1 . . 258 . B 14 TRP C . 34480 1 232 . 1 . 1 29 29 TRP CA C 13 62.385 0.04 . 1 . . 241 . B 14 TRP CA . 34480 1 233 . 1 . 1 29 29 TRP CB C 13 28.056 0.012 . 1 . . 243 . B 14 TRP CB . 34480 1 234 . 1 . 1 29 29 TRP CD1 C 13 126.886 . . 1 . . 246 . B 14 TRP CD1 . 34480 1 235 . 1 . 1 29 29 TRP CE3 C 13 119.725 . . 1 . . 256 . B 14 TRP CE3 . 34480 1 236 . 1 . 1 29 29 TRP CZ2 C 13 114.645 . . 1 . . 250 . B 14 TRP CZ2 . 34480 1 237 . 1 . 1 29 29 TRP CZ3 C 13 121.439 . . 1 . . 254 . B 14 TRP CZ3 . 34480 1 238 . 1 . 1 29 29 TRP CH2 C 13 122.969 . . 1 . . 252 . B 14 TRP CH2 . 34480 1 239 . 1 . 1 29 29 TRP N N 15 121.382 0.057 . 1 . . 239 . B 14 TRP N . 34480 1 240 . 1 . 1 29 29 TRP NE1 N 15 130.698 0.032 . 1 . . 248 . B 14 TRP NE1 . 34480 1 241 . 1 . 1 30 30 LEU H H 1 8.947 0.013 . 1 . . 260 . B 15 LEU H . 34480 1 242 . 1 . 1 30 30 LEU HA H 1 3.398 0.009 . 1 . . 262 . B 15 LEU HA . 34480 1 243 . 1 . 1 30 30 LEU HB2 H 1 1.422 0.029 . 2 . . 265 . B 15 LEU HB2 . 34480 1 244 . 1 . 1 30 30 LEU HB3 H 1 2.083 0.017 . 2 . . 264 . B 15 LEU HB3 . 34480 1 245 . 1 . 1 30 30 LEU HG H 1 2.088 0.026 . 1 . . 267 . B 15 LEU HG . 34480 1 246 . 1 . 1 30 30 LEU HD11 H 1 1.122 0.024 . 2 . . 269 . B 15 LEU HD11 . 34480 1 247 . 1 . 1 30 30 LEU HD12 H 1 1.122 0.024 . 2 . . 269 . B 15 LEU HD12 . 34480 1 248 . 1 . 1 30 30 LEU HD13 H 1 1.122 0.024 . 2 . . 269 . B 15 LEU HD13 . 34480 1 249 . 1 . 1 30 30 LEU HD21 H 1 0.832 0.024 . 2 . . 271 . B 15 LEU HD21 . 34480 1 250 . 1 . 1 30 30 LEU HD22 H 1 0.832 0.024 . 2 . . 271 . B 15 LEU HD22 . 34480 1 251 . 1 . 1 30 30 LEU HD23 H 1 0.832 0.024 . 2 . . 271 . B 15 LEU HD23 . 34480 1 252 . 1 . 1 30 30 LEU C C 13 179.620 . . 1 . . 272 . B 15 LEU C . 34480 1 253 . 1 . 1 30 30 LEU CA C 13 58.630 0.012 . 1 . . 261 . B 15 LEU CA . 34480 1 254 . 1 . 1 30 30 LEU CB C 13 41.542 0.03 . 1 . . 263 . B 15 LEU CB . 34480 1 255 . 1 . 1 30 30 LEU CG C 13 27.508 0.292 . 1 . . 266 . B 15 LEU CG . 34480 1 256 . 1 . 1 30 30 LEU CD1 C 13 25.720 . . 2 . . 268 . B 15 LEU CD1 . 34480 1 257 . 1 . 1 30 30 LEU CD2 C 13 23.424 . . 2 . . 270 . B 15 LEU CD2 . 34480 1 258 . 1 . 1 30 30 LEU N N 15 121.088 0.194 . 1 . . 259 . B 15 LEU N . 34480 1 259 . 1 . 1 31 31 ASN H H 1 8.184 0.012 . 1 . . 274 . B 16 ASN H . 34480 1 260 . 1 . 1 31 31 ASN HA H 1 4.433 0.029 . 1 . . 276 . B 16 ASN HA . 34480 1 261 . 1 . 1 31 31 ASN HB2 H 1 2.764 0.007 . 2 . . 279 . B 16 ASN HB2 . 34480 1 262 . 1 . 1 31 31 ASN HB3 H 1 2.878 0.021 . 2 . . 278 . B 16 ASN HB3 . 34480 1 263 . 1 . 1 31 31 ASN C C 13 176.903 0.0 . 1 . . 280 . B 16 ASN C . 34480 1 264 . 1 . 1 31 31 ASN CA C 13 55.969 0.179 . 1 . . 275 . B 16 ASN CA . 34480 1 265 . 1 . 1 31 31 ASN CB C 13 38.414 0.245 . 1 . . 277 . B 16 ASN CB . 34480 1 266 . 1 . 1 31 31 ASN N N 15 117.007 0.156 . 1 . . 273 . B 16 ASN N . 34480 1 267 . 1 . 1 32 32 SER H H 1 7.715 0.017 . 1 . . 282 . B 17 SER H . 34480 1 268 . 1 . 1 32 32 SER HA H 1 4.287 0.029 . 1 . . 284 . B 17 SER HA . 34480 1 269 . 1 . 1 32 32 SER HB2 H 1 3.905 0.013 . 2 . . 287 . B 17 SER HB2 . 34480 1 270 . 1 . 1 32 32 SER HB3 H 1 3.907 0.014 . 2 . . 286 . B 17 SER HB3 . 34480 1 271 . 1 . 1 32 32 SER C C 13 175.105 0.0 . 1 . . 288 . B 17 SER C . 34480 1 272 . 1 . 1 32 32 SER CA C 13 60.210 0.383 . 1 . . 283 . B 17 SER CA . 34480 1 273 . 1 . 1 32 32 SER CB C 13 63.317 0.271 . 1 . . 285 . B 17 SER CB . 34480 1 274 . 1 . 1 32 32 SER N N 15 114.087 0.041 . 1 . . 281 . B 17 SER N . 34480 1 275 . 1 . 1 33 33 MET H H 1 7.563 0.027 . 1 . . 290 . B 18 MET H . 34480 1 276 . 1 . 1 33 33 MET HA H 1 4.473 0.027 . 1 . . 292 . B 18 MET HA . 34480 1 277 . 1 . 1 33 33 MET HB2 H 1 1.457 0.023 . 2 . . 295 . B 18 MET HB2 . 34480 1 278 . 1 . 1 33 33 MET HB3 H 1 1.453 0.027 . 2 . . 294 . B 18 MET HB3 . 34480 1 279 . 1 . 1 33 33 MET HG2 H 1 1.590 0.025 . 2 . . 298 . B 18 MET HG2 . 34480 1 280 . 1 . 1 33 33 MET HG3 H 1 1.395 0.033 . 2 . . 297 . B 18 MET HG3 . 34480 1 281 . 1 . 1 33 33 MET HE1 H 1 0.816 0.029 . 1 . . 300 . B 18 MET HE1 . 34480 1 282 . 1 . 1 33 33 MET HE2 H 1 0.816 0.029 . 1 . . 300 . B 18 MET HE2 . 34480 1 283 . 1 . 1 33 33 MET HE3 H 1 0.816 0.029 . 1 . . 300 . B 18 MET HE3 . 34480 1 284 . 1 . 1 33 33 MET C C 13 178.174 0.0 . 1 . . 301 . B 18 MET C . 34480 1 285 . 1 . 1 33 33 MET CA C 13 56.089 0.299 . 1 . . 291 . B 18 MET CA . 34480 1 286 . 1 . 1 33 33 MET CB C 13 32.536 0.188 . 1 . . 293 . B 18 MET CB . 34480 1 287 . 1 . 1 33 33 MET CG C 13 30.851 0.123 . 1 . . 296 . B 18 MET CG . 34480 1 288 . 1 . 1 33 33 MET CE C 13 33.560 0.058 . 1 . . 299 . B 18 MET CE . 34480 1 289 . 1 . 1 33 33 MET N N 15 119.647 0.029 . 1 . . 289 . B 18 MET N . 34480 1 290 . 1 . 1 34 34 THR H H 1 8.250 0.025 . 1 . . 303 . B 19 THR H . 34480 1 291 . 1 . 1 34 34 THR HA H 1 3.890 0.034 . 1 . . 305 . B 19 THR HA . 34480 1 292 . 1 . 1 34 34 THR HB H 1 4.346 0.027 . 1 . . 307 . B 19 THR HB . 34480 1 293 . 1 . 1 34 34 THR HG21 H 1 1.257 0.028 . 1 . . 309 . B 19 THR HG21 . 34480 1 294 . 1 . 1 34 34 THR HG22 H 1 1.257 0.028 . 1 . . 309 . B 19 THR HG22 . 34480 1 295 . 1 . 1 34 34 THR HG23 H 1 1.257 0.028 . 1 . . 309 . B 19 THR HG23 . 34480 1 296 . 1 . 1 34 34 THR CA C 13 68.706 0.038 . 1 . . 304 . B 19 THR CA . 34480 1 297 . 1 . 1 34 34 THR CB C 13 68.798 0.445 . 1 . . 306 . B 19 THR CB . 34480 1 298 . 1 . 1 34 34 THR CG2 C 13 22.005 0.145 . 1 . . 308 . B 19 THR CG2 . 34480 1 299 . 1 . 1 34 34 THR N N 15 114.851 0.013 . 1 . . 302 . B 19 THR N . 34480 1 300 . 1 . 1 35 35 PRO HA H 1 4.433 0.043 . 1 . . 311 . B 20 PRO HA . 34480 1 301 . 1 . 1 35 35 PRO HB2 H 1 1.814 0.045 . 2 . . 314 . B 20 PRO HB2 . 34480 1 302 . 1 . 1 35 35 PRO HB3 H 1 2.385 0.024 . 2 . . 313 . B 20 PRO HB3 . 34480 1 303 . 1 . 1 35 35 PRO HG2 H 1 1.932 0.022 . 2 . . 317 . B 20 PRO HG2 . 34480 1 304 . 1 . 1 35 35 PRO HG3 H 1 1.929 0.023 . 2 . . 316 . B 20 PRO HG3 . 34480 1 305 . 1 . 1 35 35 PRO HD2 H 1 3.862 0.022 . 2 . . 320 . B 20 PRO HD2 . 34480 1 306 . 1 . 1 35 35 PRO HD3 H 1 3.331 0.031 . 2 . . 319 . B 20 PRO HD3 . 34480 1 307 . 1 . 1 35 35 PRO C C 13 177.498 . . 1 . . 321 . B 20 PRO C . 34480 1 308 . 1 . 1 35 35 PRO CA C 13 65.110 0.016 . 1 . . 310 . B 20 PRO CA . 34480 1 309 . 1 . 1 35 35 PRO CB C 13 31.670 0.232 . 1 . . 312 . B 20 PRO CB . 34480 1 310 . 1 . 1 35 35 PRO CG C 13 28.206 0.4 . 1 . . 315 . B 20 PRO CG . 34480 1 311 . 1 . 1 35 35 PRO CD C 13 51.215 0.134 . 1 . . 318 . B 20 PRO CD . 34480 1 312 . 1 . 1 36 36 LEU H H 1 7.349 0.016 . 1 . . 323 . B 21 LEU H . 34480 1 313 . 1 . 1 36 36 LEU HA H 1 4.411 0.02 . 1 . . 325 . B 21 LEU HA . 34480 1 314 . 1 . 1 36 36 LEU HB2 H 1 1.604 0.027 . 2 . . 328 . B 21 LEU HB2 . 34480 1 315 . 1 . 1 36 36 LEU HB3 H 1 1.923 0.027 . 2 . . 327 . B 21 LEU HB3 . 34480 1 316 . 1 . 1 36 36 LEU HG H 1 1.745 0.015 . 1 . . 330 . B 21 LEU HG . 34480 1 317 . 1 . 1 36 36 LEU HD11 H 1 0.960 0.024 . 2 . . 332 . B 21 LEU HD11 . 34480 1 318 . 1 . 1 36 36 LEU HD12 H 1 0.960 0.024 . 2 . . 332 . B 21 LEU HD12 . 34480 1 319 . 1 . 1 36 36 LEU HD13 H 1 0.960 0.024 . 2 . . 332 . B 21 LEU HD13 . 34480 1 320 . 1 . 1 36 36 LEU HD21 H 1 0.842 0.03 . 2 . . 334 . B 21 LEU HD21 . 34480 1 321 . 1 . 1 36 36 LEU HD22 H 1 0.842 0.03 . 2 . . 334 . B 21 LEU HD22 . 34480 1 322 . 1 . 1 36 36 LEU HD23 H 1 0.842 0.03 . 2 . . 334 . B 21 LEU HD23 . 34480 1 323 . 1 . 1 36 36 LEU C C 13 178.174 0.0 . 1 . . 335 . B 21 LEU C . 34480 1 324 . 1 . 1 36 36 LEU CA C 13 55.387 0.327 . 1 . . 324 . B 21 LEU CA . 34480 1 325 . 1 . 1 36 36 LEU CB C 13 42.746 0.218 . 1 . . 326 . B 21 LEU CB . 34480 1 326 . 1 . 1 36 36 LEU CG C 13 27.125 0.012 . 1 . . 329 . B 21 LEU CG . 34480 1 327 . 1 . 1 36 36 LEU CD1 C 13 25.392 . . 2 . . 331 . B 21 LEU CD1 . 34480 1 328 . 1 . 1 36 36 LEU CD2 C 13 22.873 . . 2 . . 333 . B 21 LEU CD2 . 34480 1 329 . 1 . 1 36 36 LEU N N 15 115.335 0.019 . 1 . . 322 . B 21 LEU N . 34480 1 330 . 1 . 1 37 37 LEU H H 1 7.318 0.022 . 1 . . 337 . B 22 LEU H . 34480 1 331 . 1 . 1 37 37 LEU HA H 1 4.108 0.021 . 1 . . 339 . B 22 LEU HA . 34480 1 332 . 1 . 1 37 37 LEU HB2 H 1 1.202 0.02 . 2 . . 342 . B 22 LEU HB2 . 34480 1 333 . 1 . 1 37 37 LEU HB3 H 1 1.901 0.028 . 2 . . 341 . B 22 LEU HB3 . 34480 1 334 . 1 . 1 37 37 LEU HG H 1 1.781 0.027 . 1 . . 344 . B 22 LEU HG . 34480 1 335 . 1 . 1 37 37 LEU HD11 H 1 0.791 0.029 . 2 . . 1249 . B 22 LEU HD11 . 34480 1 336 . 1 . 1 37 37 LEU HD12 H 1 0.791 0.029 . 2 . . 1249 . B 22 LEU HD12 . 34480 1 337 . 1 . 1 37 37 LEU HD13 H 1 0.791 0.029 . 2 . . 1249 . B 22 LEU HD13 . 34480 1 338 . 1 . 1 37 37 LEU HD21 H 1 0.827 0.034 . 2 . . 346 . B 22 LEU HD21 . 34480 1 339 . 1 . 1 37 37 LEU HD22 H 1 0.827 0.034 . 2 . . 346 . B 22 LEU HD22 . 34480 1 340 . 1 . 1 37 37 LEU HD23 H 1 0.827 0.034 . 2 . . 346 . B 22 LEU HD23 . 34480 1 341 . 1 . 1 37 37 LEU C C 13 174.402 . . 1 . . 347 . B 22 LEU C . 34480 1 342 . 1 . 1 37 37 LEU CA C 13 59.255 0.422 . 1 . . 338 . B 22 LEU CA . 34480 1 343 . 1 . 1 37 37 LEU CB C 13 40.382 0.01 . 1 . . 340 . B 22 LEU CB . 34480 1 344 . 1 . 1 37 37 LEU CG C 13 26.671 0.415 . 1 . . 343 . B 22 LEU CG . 34480 1 345 . 1 . 1 37 37 LEU CD1 C 13 25.855 0.354 . 2 . . 345 . B 22 LEU CD1 . 34480 1 346 . 1 . 1 37 37 LEU CD2 C 13 22.498 . . 2 . . 1250 . B 22 LEU CD2 . 34480 1 347 . 1 . 1 37 37 LEU N N 15 118.217 0.283 . 1 . . 336 . B 22 LEU N . 34480 1 348 . 1 . 1 38 38 PRO HA H 1 3.943 0.027 . 1 . . 349 . B 23 PRO HA . 34480 1 349 . 1 . 1 38 38 PRO HB2 H 1 1.955 0.035 . 2 . . 352 . B 23 PRO HB2 . 34480 1 350 . 1 . 1 38 38 PRO HB3 H 1 2.498 0.036 . 2 . . 351 . B 23 PRO HB3 . 34480 1 351 . 1 . 1 38 38 PRO HG2 H 1 2.271 0.034 . 2 . . 355 . B 23 PRO HG2 . 34480 1 352 . 1 . 1 38 38 PRO HG3 H 1 1.622 0.027 . 2 . . 354 . B 23 PRO HG3 . 34480 1 353 . 1 . 1 38 38 PRO HD2 H 1 3.847 0.029 . 2 . . 358 . B 23 PRO HD2 . 34480 1 354 . 1 . 1 38 38 PRO HD3 H 1 3.501 0.022 . 2 . . 357 . B 23 PRO HD3 . 34480 1 355 . 1 . 1 38 38 PRO C C 13 177.336 0.0 . 1 . . 359 . B 23 PRO C . 34480 1 356 . 1 . 1 38 38 PRO CA C 13 67.436 0.119 . 1 . . 348 . B 23 PRO CA . 34480 1 357 . 1 . 1 38 38 PRO CB C 13 31.481 0.306 . 1 . . 350 . B 23 PRO CB . 34480 1 358 . 1 . 1 38 38 PRO CG C 13 29.123 0.316 . 1 . . 353 . B 23 PRO CG . 34480 1 359 . 1 . 1 38 38 PRO CD C 13 50.216 0.214 . 1 . . 356 . B 23 PRO CD . 34480 1 360 . 1 . 1 39 39 ASP H H 1 7.880 0.018 . 1 . . 361 . B 24 ASP H . 34480 1 361 . 1 . 1 39 39 ASP HA H 1 4.333 0.022 . 1 . . 363 . B 24 ASP HA . 34480 1 362 . 1 . 1 39 39 ASP HB2 H 1 2.615 0.026 . 2 . . 366 . B 24 ASP HB2 . 34480 1 363 . 1 . 1 39 39 ASP HB3 H 1 2.785 0.036 . 2 . . 365 . B 24 ASP HB3 . 34480 1 364 . 1 . 1 39 39 ASP C C 13 177.065 0.0 . 1 . . 367 . B 24 ASP C . 34480 1 365 . 1 . 1 39 39 ASP CA C 13 57.809 0.269 . 1 . . 362 . B 24 ASP CA . 34480 1 366 . 1 . 1 39 39 ASP CB C 13 42.502 0.444 . 1 . . 364 . B 24 ASP CB . 34480 1 367 . 1 . 1 39 39 ASP N N 15 114.869 0.019 . 1 . . 360 . B 24 ASP N . 34480 1 368 . 1 . 1 40 40 LEU H H 1 7.476 0.015 . 1 . . 369 . B 25 LEU H . 34480 1 369 . 1 . 1 40 40 LEU HA H 1 3.915 0.024 . 1 . . 371 . B 25 LEU HA . 34480 1 370 . 1 . 1 40 40 LEU HB2 H 1 1.588 0.026 . 2 . . 374 . B 25 LEU HB2 . 34480 1 371 . 1 . 1 40 40 LEU HB3 H 1 1.734 0.029 . 2 . . 373 . B 25 LEU HB3 . 34480 1 372 . 1 . 1 40 40 LEU HG H 1 1.709 0.037 . 1 . . 376 . B 25 LEU HG . 34480 1 373 . 1 . 1 40 40 LEU HD11 H 1 0.836 0.015 . 2 . . 1246 . B 25 LEU HD11 . 34480 1 374 . 1 . 1 40 40 LEU HD12 H 1 0.836 0.015 . 2 . . 1246 . B 25 LEU HD12 . 34480 1 375 . 1 . 1 40 40 LEU HD13 H 1 0.836 0.015 . 2 . . 1246 . B 25 LEU HD13 . 34480 1 376 . 1 . 1 40 40 LEU HD21 H 1 0.835 0.018 . 2 . . 377 . B 25 LEU HD21 . 34480 1 377 . 1 . 1 40 40 LEU HD22 H 1 0.835 0.018 . 2 . . 377 . B 25 LEU HD22 . 34480 1 378 . 1 . 1 40 40 LEU HD23 H 1 0.835 0.018 . 2 . . 377 . B 25 LEU HD23 . 34480 1 379 . 1 . 1 40 40 LEU C C 13 180.580 0.0 . 1 . . 378 . B 25 LEU C . 34480 1 380 . 1 . 1 40 40 LEU CA C 13 58.639 0.316 . 1 . . 370 . B 25 LEU CA . 34480 1 381 . 1 . 1 40 40 LEU CB C 13 42.947 0.231 . 1 . . 372 . B 25 LEU CB . 34480 1 382 . 1 . 1 40 40 LEU CG C 13 26.723 0.066 . 1 . . 375 . B 25 LEU CG . 34480 1 383 . 1 . 1 40 40 LEU CD1 C 13 24.826 0.175 . 2 . . 1248 . B 25 LEU CD1 . 34480 1 384 . 1 . 1 40 40 LEU CD2 C 13 24.854 0.159 . 2 . . 1247 . B 25 LEU CD2 . 34480 1 385 . 1 . 1 40 40 LEU N N 15 117.296 0.026 . 1 . . 368 . B 25 LEU N . 34480 1 386 . 1 . 1 41 41 ILE H H 1 8.896 0.018 . 1 . . 380 . B 26 ILE H . 34480 1 387 . 1 . 1 41 41 ILE HA H 1 3.625 0.02 . 1 . . 382 . B 26 ILE HA . 34480 1 388 . 1 . 1 41 41 ILE HB H 1 1.760 0.031 . 1 . . 384 . B 26 ILE HB . 34480 1 389 . 1 . 1 41 41 ILE HG12 H 1 1.363 0.025 . 2 . . 387 . B 26 ILE HG12 . 34480 1 390 . 1 . 1 41 41 ILE HG13 H 1 1.560 0.037 . 2 . . 386 . B 26 ILE HG13 . 34480 1 391 . 1 . 1 41 41 ILE HG21 H 1 0.424 0.007 . 1 . . 391 . B 26 ILE HG21 . 34480 1 392 . 1 . 1 41 41 ILE HG22 H 1 0.424 0.007 . 1 . . 391 . B 26 ILE HG22 . 34480 1 393 . 1 . 1 41 41 ILE HG23 H 1 0.424 0.007 . 1 . . 391 . B 26 ILE HG23 . 34480 1 394 . 1 . 1 41 41 ILE HD11 H 1 0.719 0.025 . 1 . . 389 . B 26 ILE HD11 . 34480 1 395 . 1 . 1 41 41 ILE HD12 H 1 0.719 0.025 . 1 . . 389 . B 26 ILE HD12 . 34480 1 396 . 1 . 1 41 41 ILE HD13 H 1 0.719 0.025 . 1 . . 389 . B 26 ILE HD13 . 34480 1 397 . 1 . 1 41 41 ILE C C 13 178.863 . . 1 . . 392 . B 26 ILE C . 34480 1 398 . 1 . 1 41 41 ILE CA C 13 62.524 0.235 . 1 . . 381 . B 26 ILE CA . 34480 1 399 . 1 . 1 41 41 ILE CB C 13 36.269 0.021 . 1 . . 383 . B 26 ILE CB . 34480 1 400 . 1 . 1 41 41 ILE CG1 C 13 28.535 0.422 . 1 . . 385 . B 26 ILE CG1 . 34480 1 401 . 1 . 1 41 41 ILE CG2 C 13 17.988 0.041 . 1 . . 390 . B 26 ILE CG2 . 34480 1 402 . 1 . 1 41 41 ILE CD1 C 13 11.679 0.079 . 1 . . 388 . B 26 ILE CD1 . 34480 1 403 . 1 . 1 41 41 ILE N N 15 118.793 0.032 . 1 . . 379 . B 26 ILE N . 34480 1 404 . 1 . 1 42 42 CYS H H 1 8.044 0.023 . 1 . . 394 . B 27 CYS H . 34480 1 405 . 1 . 1 42 42 CYS HA H 1 4.302 0.024 . 1 . . 396 . B 27 CYS HA . 34480 1 406 . 1 . 1 42 42 CYS HB2 H 1 2.650 0.023 . 2 . . 399 . B 27 CYS HB2 . 34480 1 407 . 1 . 1 42 42 CYS HB3 H 1 3.031 0.033 . 2 . . 398 . B 27 CYS HB3 . 34480 1 408 . 1 . 1 42 42 CYS C C 13 177.119 0.0 . 1 . . 400 . B 27 CYS C . 34480 1 409 . 1 . 1 42 42 CYS CA C 13 60.415 0.066 . 1 . . 395 . B 27 CYS CA . 34480 1 410 . 1 . 1 42 42 CYS CB C 13 40.946 0.082 . 1 . . 397 . B 27 CYS CB . 34480 1 411 . 1 . 1 42 42 CYS N N 15 117.764 0.181 . 1 . . 393 . B 27 CYS N . 34480 1 412 . 1 . 1 43 43 LYS H H 1 8.594 0.02 . 1 . . 402 . B 28 LYS H . 34480 1 413 . 1 . 1 43 43 LYS HA H 1 4.082 0.027 . 1 . . 404 . B 28 LYS HA . 34480 1 414 . 1 . 1 43 43 LYS HB2 H 1 1.770 0.038 . 2 . . 407 . B 28 LYS HB2 . 34480 1 415 . 1 . 1 43 43 LYS HB3 H 1 1.930 0.03 . 2 . . 406 . B 28 LYS HB3 . 34480 1 416 . 1 . 1 43 43 LYS HG2 H 1 1.668 0.034 . 2 . . 410 . B 28 LYS HG2 . 34480 1 417 . 1 . 1 43 43 LYS HG3 H 1 1.392 0.03 . 2 . . 409 . B 28 LYS HG3 . 34480 1 418 . 1 . 1 43 43 LYS HD2 H 1 1.578 0.033 . 2 . . 413 . B 28 LYS HD2 . 34480 1 419 . 1 . 1 43 43 LYS HD3 H 1 1.585 0.031 . 2 . . 412 . B 28 LYS HD3 . 34480 1 420 . 1 . 1 43 43 LYS HE2 H 1 2.785 0.021 . 1 . . 416 . B 28 LYS HE2 . 34480 1 421 . 1 . 1 43 43 LYS HE3 H 1 2.785 0.021 . 1 . . 415 . B 28 LYS HE3 . 34480 1 422 . 1 . 1 43 43 LYS C C 13 178.674 0.0 . 1 . . 417 . B 28 LYS C . 34480 1 423 . 1 . 1 43 43 LYS CA C 13 59.861 0.252 . 1 . . 403 . B 28 LYS CA . 34480 1 424 . 1 . 1 43 43 LYS CB C 13 31.977 0.348 . 1 . . 405 . B 28 LYS CB . 34480 1 425 . 1 . 1 43 43 LYS CG C 13 26.370 0.365 . 1 . . 408 . B 28 LYS CG . 34480 1 426 . 1 . 1 43 43 LYS CD C 13 29.035 0.358 . 1 . . 411 . B 28 LYS CD . 34480 1 427 . 1 . 1 43 43 LYS CE C 13 42.183 0.383 . 1 . . 414 . B 28 LYS CE . 34480 1 428 . 1 . 1 43 43 LYS N N 15 118.919 0.018 . 1 . . 401 . B 28 LYS N . 34480 1 429 . 1 . 1 44 44 GLY H H 1 7.447 0.02 . 1 . . 419 . B 29 GLY H . 34480 1 430 . 1 . 1 44 44 GLY HA2 H 1 3.808 0.03 . 2 . . 422 . B 29 GLY HA2 . 34480 1 431 . 1 . 1 44 44 GLY HA3 H 1 3.810 0.032 . 2 . . 421 . B 29 GLY HA3 . 34480 1 432 . 1 . 1 44 44 GLY C C 13 176.822 . . 1 . . 423 . B 29 GLY C . 34480 1 433 . 1 . 1 44 44 GLY CA C 13 47.035 0.0 . 1 . . 420 . B 29 GLY CA . 34480 1 434 . 1 . 1 44 44 GLY N N 15 105.958 0.027 . 1 . . 418 . B 29 GLY N . 34480 1 435 . 1 . 1 45 45 PHE H H 1 7.636 0.023 . 1 . . 425 . B 30 PHE H . 34480 1 436 . 1 . 1 45 45 PHE HA H 1 4.435 0.017 . 1 . . 427 . B 30 PHE HA . 34480 1 437 . 1 . 1 45 45 PHE HB2 H 1 2.548 0.019 . 2 . . 430 . B 30 PHE HB2 . 34480 1 438 . 1 . 1 45 45 PHE HB3 H 1 3.035 0.023 . 2 . . 429 . B 30 PHE HB3 . 34480 1 439 . 1 . 1 45 45 PHE HD1 H 1 7.336 0.022 . 1 . . 436 . B 30 PHE HD1 . 34480 1 440 . 1 . 1 45 45 PHE HD2 H 1 7.336 0.022 . 1 . . 436 . B 30 PHE HD2 . 34480 1 441 . 1 . 1 45 45 PHE HE1 H 1 7.003 0.036 . 1 . . 434 . B 30 PHE HE1 . 34480 1 442 . 1 . 1 45 45 PHE HE2 H 1 7.003 0.036 . 1 . . 434 . B 30 PHE HE2 . 34480 1 443 . 1 . 1 45 45 PHE HZ H 1 7.357 0.008 . 1 . . 432 . B 30 PHE HZ . 34480 1 444 . 1 . 1 45 45 PHE C C 13 176.727 0.0 . 1 . . 437 . B 30 PHE C . 34480 1 445 . 1 . 1 45 45 PHE CA C 13 58.988 0.346 . 1 . . 426 . B 30 PHE CA . 34480 1 446 . 1 . 1 45 45 PHE CB C 13 39.509 0.033 . 1 . . 428 . B 30 PHE CB . 34480 1 447 . 1 . 1 45 45 PHE CD1 C 13 131.191 . . 1 . . 435 . B 30 PHE CD1 . 34480 1 448 . 1 . 1 45 45 PHE CD2 C 13 131.191 . . 1 . . 435 . B 30 PHE CD2 . 34480 1 449 . 1 . 1 45 45 PHE CE1 C 13 129.181 . . 1 . . 433 . B 30 PHE CE1 . 34480 1 450 . 1 . 1 45 45 PHE CE2 C 13 129.181 . . 1 . . 433 . B 30 PHE CE2 . 34480 1 451 . 1 . 1 45 45 PHE CZ C 13 129.207 . . 1 . . 431 . B 30 PHE CZ . 34480 1 452 . 1 . 1 45 45 PHE N N 15 119.505 0.016 . 1 . . 424 . B 30 PHE N . 34480 1 453 . 1 . 1 46 46 ILE H H 1 7.190 0.018 . 1 . . 439 . B 31 ILE H . 34480 1 454 . 1 . 1 46 46 ILE HA H 1 3.595 0.03 . 1 . . 441 . B 31 ILE HA . 34480 1 455 . 1 . 1 46 46 ILE HB H 1 1.942 0.024 . 1 . . 443 . B 31 ILE HB . 34480 1 456 . 1 . 1 46 46 ILE HG12 H 1 1.387 0.026 . 2 . . 446 . B 31 ILE HG12 . 34480 1 457 . 1 . 1 46 46 ILE HG13 H 1 1.476 0.031 . 2 . . 445 . B 31 ILE HG13 . 34480 1 458 . 1 . 1 46 46 ILE HG21 H 1 0.863 0.037 . 1 . . 450 . B 31 ILE HG21 . 34480 1 459 . 1 . 1 46 46 ILE HG22 H 1 0.863 0.037 . 1 . . 450 . B 31 ILE HG22 . 34480 1 460 . 1 . 1 46 46 ILE HG23 H 1 0.863 0.037 . 1 . . 450 . B 31 ILE HG23 . 34480 1 461 . 1 . 1 46 46 ILE HD11 H 1 0.857 0.03 . 1 . . 448 . B 31 ILE HD11 . 34480 1 462 . 1 . 1 46 46 ILE HD12 H 1 0.857 0.03 . 1 . . 448 . B 31 ILE HD12 . 34480 1 463 . 1 . 1 46 46 ILE HD13 H 1 0.857 0.03 . 1 . . 448 . B 31 ILE HD13 . 34480 1 464 . 1 . 1 46 46 ILE C C 13 176.700 0.0 . 1 . . 451 . B 31 ILE C . 34480 1 465 . 1 . 1 46 46 ILE CA C 13 62.875 0.273 . 1 . . 440 . B 31 ILE CA . 34480 1 466 . 1 . 1 46 46 ILE CB C 13 37.877 0.165 . 1 . . 442 . B 31 ILE CB . 34480 1 467 . 1 . 1 46 46 ILE CG1 C 13 28.767 0.249 . 1 . . 444 . B 31 ILE CG1 . 34480 1 468 . 1 . 1 46 46 ILE CG2 C 13 18.142 0.368 . 1 . . 449 . B 31 ILE CG2 . 34480 1 469 . 1 . 1 46 46 ILE CD1 C 13 13.329 0.4 . 1 . . 447 . B 31 ILE CD1 . 34480 1 470 . 1 . 1 46 46 ILE N N 15 111.782 0.021 . 1 . . 438 . B 31 ILE N . 34480 1 471 . 1 . 1 47 47 GLN H H 1 7.545 0.027 . 1 . . 453 . B 32 GLN H . 34480 1 472 . 1 . 1 47 47 GLN HA H 1 4.150 0.038 . 1 . . 455 . B 32 GLN HA . 34480 1 473 . 1 . 1 47 47 GLN HB2 H 1 2.040 0.032 . 2 . . 458 . B 32 GLN HB2 . 34480 1 474 . 1 . 1 47 47 GLN HB3 H 1 2.193 0.028 . 2 . . 457 . B 32 GLN HB3 . 34480 1 475 . 1 . 1 47 47 GLN HG2 H 1 2.532 0.036 . 2 . . 461 . B 32 GLN HG2 . 34480 1 476 . 1 . 1 47 47 GLN HG3 H 1 2.402 0.024 . 2 . . 460 . B 32 GLN HG3 . 34480 1 477 . 1 . 1 47 47 GLN C C 13 175.457 0.0 . 1 . . 462 . B 32 GLN C . 34480 1 478 . 1 . 1 47 47 GLN CA C 13 56.203 0.015 . 1 . . 454 . B 32 GLN CA . 34480 1 479 . 1 . 1 47 47 GLN CB C 13 29.429 0.32 . 1 . . 456 . B 32 GLN CB . 34480 1 480 . 1 . 1 47 47 GLN CG C 13 34.472 0.119 . 1 . . 459 . B 32 GLN CG . 34480 1 481 . 1 . 1 47 47 GLN N N 15 116.609 0.031 . 1 . . 452 . B 32 GLN N . 34480 1 482 . 1 . 1 48 48 ASP H H 1 7.341 0.013 . 1 . . 464 . B 33 ASP H . 34480 1 483 . 1 . 1 48 48 ASP HA H 1 4.995 0.005 . 1 . . 466 . B 33 ASP HA . 34480 1 484 . 1 . 1 48 48 ASP HB2 H 1 2.642 0.025 . 2 . . 469 . B 33 ASP HB2 . 34480 1 485 . 1 . 1 48 48 ASP HB3 H 1 3.164 0.034 . 2 . . 468 . B 33 ASP HB3 . 34480 1 486 . 1 . 1 48 48 ASP C C 13 174.335 0.0 . 1 . . 470 . B 33 ASP C . 34480 1 487 . 1 . 1 48 48 ASP CA C 13 51.242 0.049 . 1 . . 465 . B 33 ASP CA . 34480 1 488 . 1 . 1 48 48 ASP CB C 13 42.932 0.282 . 1 . . 467 . B 33 ASP CB . 34480 1 489 . 1 . 1 48 48 ASP N N 15 123.434 0.013 . 1 . . 463 . B 33 ASP N . 34480 1 490 . 1 . 1 49 49 PRO HA H 1 4.266 0.037 . 1 . . 472 . B 34 PRO HA . 34480 1 491 . 1 . 1 49 49 PRO HB2 H 1 1.977 0.049 . 2 . . 475 . B 34 PRO HB2 . 34480 1 492 . 1 . 1 49 49 PRO HB3 H 1 2.370 0.013 . 2 . . 474 . B 34 PRO HB3 . 34480 1 493 . 1 . 1 49 49 PRO HG2 H 1 2.095 0.032 . 2 . . 478 . B 34 PRO HG2 . 34480 1 494 . 1 . 1 49 49 PRO HG3 H 1 2.099 0.031 . 2 . . 477 . B 34 PRO HG3 . 34480 1 495 . 1 . 1 49 49 PRO HD2 H 1 4.087 0.008 . 2 . . 481 . B 34 PRO HD2 . 34480 1 496 . 1 . 1 49 49 PRO HD3 H 1 3.867 0.023 . 2 . . 480 . B 34 PRO HD3 . 34480 1 497 . 1 . 1 49 49 PRO C C 13 179.188 . . 1 . . 482 . B 34 PRO C . 34480 1 498 . 1 . 1 49 49 PRO CA C 13 65.285 0.043 . 1 . . 471 . B 34 PRO CA . 34480 1 499 . 1 . 1 49 49 PRO CB C 13 32.235 0.351 . 1 . . 473 . B 34 PRO CB . 34480 1 500 . 1 . 1 49 49 PRO CG C 13 27.727 0.153 . 1 . . 476 . B 34 PRO CG . 34480 1 501 . 1 . 1 49 49 PRO CD C 13 50.715 0.307 . 1 . . 479 . B 34 PRO CD . 34480 1 502 . 1 . 1 50 50 ASP H H 1 8.039 0.026 . 1 . . 484 . B 35 ASP H . 34480 1 503 . 1 . 1 50 50 ASP HA H 1 4.622 0.022 . 1 . . 486 . B 35 ASP HA . 34480 1 504 . 1 . 1 50 50 ASP HB2 H 1 2.650 0.012 . 2 . . 489 . B 35 ASP HB2 . 34480 1 505 . 1 . 1 50 50 ASP HB3 H 1 2.774 0.023 . 2 . . 488 . B 35 ASP HB3 . 34480 1 506 . 1 . 1 50 50 ASP C C 13 178.796 . . 1 . . 490 . B 35 ASP C . 34480 1 507 . 1 . 1 50 50 ASP CA C 13 57.209 0.0 . 1 . . 485 . B 35 ASP CA . 34480 1 508 . 1 . 1 50 50 ASP CB C 13 41.511 0.381 . 1 . . 487 . B 35 ASP CB . 34480 1 509 . 1 . 1 50 50 ASP N N 15 117.479 0.217 . 1 . . 483 . B 35 ASP N . 34480 1 510 . 1 . 1 51 51 LEU H H 1 8.306 0.005 . 1 . . 492 . B 36 LEU H . 34480 1 511 . 1 . 1 51 51 LEU HA H 1 4.228 0.032 . 1 . . 494 . B 36 LEU HA . 34480 1 512 . 1 . 1 51 51 LEU HB2 H 1 1.374 0.021 . 2 . . 497 . B 36 LEU HB2 . 34480 1 513 . 1 . 1 51 51 LEU HB3 H 1 2.209 0.034 . 2 . . 496 . B 36 LEU HB3 . 34480 1 514 . 1 . 1 51 51 LEU HG H 1 1.699 0.028 . 1 . . 499 . B 36 LEU HG . 34480 1 515 . 1 . 1 51 51 LEU HD11 H 1 0.818 0.03 . 2 . . 501 . B 36 LEU HD11 . 34480 1 516 . 1 . 1 51 51 LEU HD12 H 1 0.818 0.03 . 2 . . 501 . B 36 LEU HD12 . 34480 1 517 . 1 . 1 51 51 LEU HD13 H 1 0.818 0.03 . 2 . . 501 . B 36 LEU HD13 . 34480 1 518 . 1 . 1 51 51 LEU HD21 H 1 0.831 0.027 . 2 . . 503 . B 36 LEU HD21 . 34480 1 519 . 1 . 1 51 51 LEU HD22 H 1 0.831 0.027 . 2 . . 503 . B 36 LEU HD22 . 34480 1 520 . 1 . 1 51 51 LEU HD23 H 1 0.831 0.027 . 2 . . 503 . B 36 LEU HD23 . 34480 1 521 . 1 . 1 51 51 LEU C C 13 179.161 0.0 . 1 . . 504 . B 36 LEU C . 34480 1 522 . 1 . 1 51 51 LEU CA C 13 57.142 0.166 . 1 . . 493 . B 36 LEU CA . 34480 1 523 . 1 . 1 51 51 LEU CB C 13 41.472 0.146 . 1 . . 495 . B 36 LEU CB . 34480 1 524 . 1 . 1 51 51 LEU CG C 13 27.214 0.048 . 1 . . 498 . B 36 LEU CG . 34480 1 525 . 1 . 1 51 51 LEU CD1 C 13 25.228 . . 2 . . 500 . B 36 LEU CD1 . 34480 1 526 . 1 . 1 51 51 LEU CD2 C 13 22.768 . . 2 . . 502 . B 36 LEU CD2 . 34480 1 527 . 1 . 1 51 51 LEU N N 15 123.297 0.031 . 1 . . 491 . B 36 LEU N . 34480 1 528 . 1 . 1 52 52 LYS H H 1 8.943 0.013 . 1 . . 506 . B 37 LYS H . 34480 1 529 . 1 . 1 52 52 LYS HA H 1 3.781 0.031 . 1 . . 508 . B 37 LYS HA . 34480 1 530 . 1 . 1 52 52 LYS HB2 H 1 1.800 0.024 . 2 . . 511 . B 37 LYS HB2 . 34480 1 531 . 1 . 1 52 52 LYS HB3 H 1 2.165 0.029 . 2 . . 510 . B 37 LYS HB3 . 34480 1 532 . 1 . 1 52 52 LYS HG2 H 1 1.565 0.04 . 2 . . 514 . B 37 LYS HG2 . 34480 1 533 . 1 . 1 52 52 LYS HG3 H 1 1.569 0.04 . 2 . . 513 . B 37 LYS HG3 . 34480 1 534 . 1 . 1 52 52 LYS HD2 H 1 2.149 0.035 . 2 . . 517 . B 37 LYS HD2 . 34480 1 535 . 1 . 1 52 52 LYS HD3 H 1 1.659 0.03 . 2 . . 516 . B 37 LYS HD3 . 34480 1 536 . 1 . 1 52 52 LYS HE2 H 1 3.076 0.036 . 2 . . 520 . B 37 LYS HE2 . 34480 1 537 . 1 . 1 52 52 LYS HE3 H 1 3.073 0.037 . 2 . . 519 . B 37 LYS HE3 . 34480 1 538 . 1 . 1 52 52 LYS C C 13 178.661 0.0 . 1 . . 521 . B 37 LYS C . 34480 1 539 . 1 . 1 52 52 LYS CA C 13 59.898 0.013 . 1 . . 507 . B 37 LYS CA . 34480 1 540 . 1 . 1 52 52 LYS CB C 13 31.938 0.107 . 1 . . 509 . B 37 LYS CB . 34480 1 541 . 1 . 1 52 52 LYS CG C 13 25.045 0.239 . 1 . . 512 . B 37 LYS CG . 34480 1 542 . 1 . 1 52 52 LYS CD C 13 29.120 0.4 . 1 . . 515 . B 37 LYS CD . 34480 1 543 . 1 . 1 52 52 LYS CE C 13 42.708 0.068 . 1 . . 518 . B 37 LYS CE . 34480 1 544 . 1 . 1 52 52 LYS N N 15 122.173 0.071 . 1 . . 505 . B 37 LYS N . 34480 1 545 . 1 . 1 53 53 LYS H H 1 7.349 0.013 . 1 . . 523 . B 38 LYS H . 34480 1 546 . 1 . 1 53 53 LYS HA H 1 4.250 0.035 . 1 . . 525 . B 38 LYS HA . 34480 1 547 . 1 . 1 53 53 LYS HB2 H 1 2.033 0.022 . 2 . . 528 . B 38 LYS HB2 . 34480 1 548 . 1 . 1 53 53 LYS HB3 H 1 2.026 0.005 . 2 . . 527 . B 38 LYS HB3 . 34480 1 549 . 1 . 1 53 53 LYS HG2 H 1 1.670 0.017 . 2 . . 531 . B 38 LYS HG2 . 34480 1 550 . 1 . 1 53 53 LYS HG3 H 1 1.542 0.026 . 2 . . 530 . B 38 LYS HG3 . 34480 1 551 . 1 . 1 53 53 LYS HD2 H 1 1.795 0.02 . 2 . . 534 . B 38 LYS HD2 . 34480 1 552 . 1 . 1 53 53 LYS HD3 H 1 1.797 0.017 . 2 . . 533 . B 38 LYS HD3 . 34480 1 553 . 1 . 1 53 53 LYS HE2 H 1 3.073 0.025 . 2 . . 537 . B 38 LYS HE2 . 34480 1 554 . 1 . 1 53 53 LYS HE3 H 1 3.077 0.017 . 2 . . 536 . B 38 LYS HE3 . 34480 1 555 . 1 . 1 53 53 LYS C C 13 179.242 . . 1 . . 538 . B 38 LYS C . 34480 1 556 . 1 . 1 53 53 LYS CA C 13 59.951 0.348 . 1 . . 524 . B 38 LYS CA . 34480 1 557 . 1 . 1 53 53 LYS CB C 13 32.455 0.177 . 1 . . 526 . B 38 LYS CB . 34480 1 558 . 1 . 1 53 53 LYS CG C 13 25.119 0.193 . 1 . . 529 . B 38 LYS CG . 34480 1 559 . 1 . 1 53 53 LYS CD C 13 29.611 0.028 . 1 . . 532 . B 38 LYS CD . 34480 1 560 . 1 . 1 53 53 LYS CE C 13 42.663 0.041 . 1 . . 535 . B 38 LYS CE . 34480 1 561 . 1 . 1 53 53 LYS N N 15 117.208 0.033 . 1 . . 522 . B 38 LYS N . 34480 1 562 . 1 . 1 54 54 ARG H H 1 7.511 0.019 . 1 . . 540 . B 39 ARG H . 34480 1 563 . 1 . 1 54 54 ARG HA H 1 4.271 0.044 . 1 . . 542 . B 39 ARG HA . 34480 1 564 . 1 . 1 54 54 ARG HB2 H 1 2.187 0.033 . 2 . . 545 . B 39 ARG HB2 . 34480 1 565 . 1 . 1 54 54 ARG HB3 H 1 2.180 0.037 . 2 . . 544 . B 39 ARG HB3 . 34480 1 566 . 1 . 1 54 54 ARG HG2 H 1 1.934 0.025 . 2 . . 548 . B 39 ARG HG2 . 34480 1 567 . 1 . 1 54 54 ARG HG3 H 1 1.804 0.027 . 2 . . 547 . B 39 ARG HG3 . 34480 1 568 . 1 . 1 54 54 ARG HD2 H 1 3.215 0.022 . 2 . . 551 . B 39 ARG HD2 . 34480 1 569 . 1 . 1 54 54 ARG HD3 H 1 3.467 0.014 . 2 . . 550 . B 39 ARG HD3 . 34480 1 570 . 1 . 1 54 54 ARG C C 13 178.674 0.0 . 1 . . 552 . B 39 ARG C . 34480 1 571 . 1 . 1 54 54 ARG CA C 13 58.101 0.329 . 1 . . 541 . B 39 ARG CA . 34480 1 572 . 1 . 1 54 54 ARG CB C 13 29.558 0.361 . 1 . . 543 . B 39 ARG CB . 34480 1 573 . 1 . 1 54 54 ARG CG C 13 27.160 0.289 . 1 . . 546 . B 39 ARG CG . 34480 1 574 . 1 . 1 54 54 ARG CD C 13 43.196 0.089 . 1 . . 549 . B 39 ARG CD . 34480 1 575 . 1 . 1 54 54 ARG N N 15 118.639 0.026 . 1 . . 539 . B 39 ARG N . 34480 1 576 . 1 . 1 55 55 PHE H H 1 8.761 0.003 . 1 . . 554 . B 40 PHE H . 34480 1 577 . 1 . 1 55 55 PHE HA H 1 4.102 0.022 . 1 . . 556 . B 40 PHE HA . 34480 1 578 . 1 . 1 55 55 PHE HB2 H 1 3.348 0.026 . 2 . . 559 . B 40 PHE HB2 . 34480 1 579 . 1 . 1 55 55 PHE HB3 H 1 3.624 0.028 . 2 . . 558 . B 40 PHE HB3 . 34480 1 580 . 1 . 1 55 55 PHE HD1 H 1 7.158 0.028 . 1 . . 563 . B 40 PHE HD1 . 34480 1 581 . 1 . 1 55 55 PHE HD2 H 1 7.158 0.028 . 1 . . 563 . B 40 PHE HD2 . 34480 1 582 . 1 . 1 55 55 PHE HE1 H 1 6.922 0.049 . 1 . . 561 . B 40 PHE HE1 . 34480 1 583 . 1 . 1 55 55 PHE HE2 H 1 6.922 0.049 . 1 . . 561 . B 40 PHE HE2 . 34480 1 584 . 1 . 1 55 55 PHE C C 13 178.552 0.0 . 1 . . 564 . B 40 PHE C . 34480 1 585 . 1 . 1 55 55 PHE CA C 13 61.306 0.279 . 1 . . 555 . B 40 PHE CA . 34480 1 586 . 1 . 1 55 55 PHE CB C 13 38.088 0.283 . 1 . . 557 . B 40 PHE CB . 34480 1 587 . 1 . 1 55 55 PHE CD1 C 13 130.860 . . 1 . . 562 . B 40 PHE CD1 . 34480 1 588 . 1 . 1 55 55 PHE CD2 C 13 130.860 . . 1 . . 562 . B 40 PHE CD2 . 34480 1 589 . 1 . 1 55 55 PHE CE1 C 13 130.610 . . 1 . . 560 . B 40 PHE CE1 . 34480 1 590 . 1 . 1 55 55 PHE CE2 C 13 130.610 . . 1 . . 560 . B 40 PHE CE2 . 34480 1 591 . 1 . 1 55 55 PHE N N 15 120.736 0.028 . 1 . . 553 . B 40 PHE N . 34480 1 592 . 1 . 1 56 56 ASP H H 1 8.535 0.014 . 1 . . 566 . B 41 ASP H . 34480 1 593 . 1 . 1 56 56 ASP HA H 1 4.532 0.013 . 1 . . 568 . B 41 ASP HA . 34480 1 594 . 1 . 1 56 56 ASP HB2 H 1 2.770 0.022 . 2 . . 571 . B 41 ASP HB2 . 34480 1 595 . 1 . 1 56 56 ASP HB3 H 1 2.918 0.03 . 2 . . 570 . B 41 ASP HB3 . 34480 1 596 . 1 . 1 56 56 ASP C C 13 179.688 0.0 . 1 . . 572 . B 41 ASP C . 34480 1 597 . 1 . 1 56 56 ASP CA C 13 57.626 0.0 . 1 . . 567 . B 41 ASP CA . 34480 1 598 . 1 . 1 56 56 ASP CB C 13 40.119 0.076 . 1 . . 569 . B 41 ASP CB . 34480 1 599 . 1 . 1 56 56 ASP N N 15 118.595 0.027 . 1 . . 565 . B 41 ASP N . 34480 1 600 . 1 . 1 57 57 GLU H H 1 8.080 0.012 . 1 . . 574 . B 42 GLU H . 34480 1 601 . 1 . 1 57 57 GLU HA H 1 4.116 0.026 . 1 . . 576 . B 42 GLU HA . 34480 1 602 . 1 . 1 57 57 GLU HB2 H 1 2.168 0.032 . 2 . . 579 . B 42 GLU HB2 . 34480 1 603 . 1 . 1 57 57 GLU HB3 H 1 2.354 0.014 . 2 . . 578 . B 42 GLU HB3 . 34480 1 604 . 1 . 1 57 57 GLU HG2 H 1 2.351 0.024 . 2 . . 582 . B 42 GLU HG2 . 34480 1 605 . 1 . 1 57 57 GLU HG3 H 1 2.554 0.041 . 2 . . 581 . B 42 GLU HG3 . 34480 1 606 . 1 . 1 57 57 GLU C C 13 178.323 . . 1 . . 583 . B 42 GLU C . 34480 1 607 . 1 . 1 57 57 GLU CA C 13 59.542 0.229 . 1 . . 575 . B 42 GLU CA . 34480 1 608 . 1 . 1 57 57 GLU CB C 13 30.166 0.391 . 1 . . 577 . B 42 GLU CB . 34480 1 609 . 1 . 1 57 57 GLU CG C 13 36.563 0.026 . 1 . . 580 . B 42 GLU CG . 34480 1 610 . 1 . 1 57 57 GLU N N 15 120.625 0.02 . 1 . . 573 . B 42 GLU N . 34480 1 611 . 1 . 1 58 58 ILE H H 1 7.495 0.019 . 1 . . 585 . B 43 ILE H . 34480 1 612 . 1 . 1 58 58 ILE HA H 1 4.487 0.019 . 1 . . 587 . B 43 ILE HA . 34480 1 613 . 1 . 1 58 58 ILE HB H 1 2.178 0.025 . 1 . . 589 . B 43 ILE HB . 34480 1 614 . 1 . 1 58 58 ILE HG12 H 1 1.379 0.035 . 2 . . 592 . B 43 ILE HG12 . 34480 1 615 . 1 . 1 58 58 ILE HG13 H 1 1.575 0.021 . 2 . . 591 . B 43 ILE HG13 . 34480 1 616 . 1 . 1 58 58 ILE HG21 H 1 0.800 0.024 . 1 . . 596 . B 43 ILE HG21 . 34480 1 617 . 1 . 1 58 58 ILE HG22 H 1 0.800 0.024 . 1 . . 596 . B 43 ILE HG22 . 34480 1 618 . 1 . 1 58 58 ILE HG23 H 1 0.800 0.024 . 1 . . 596 . B 43 ILE HG23 . 34480 1 619 . 1 . 1 58 58 ILE HD11 H 1 0.931 0.031 . 1 . . 594 . B 43 ILE HD11 . 34480 1 620 . 1 . 1 58 58 ILE HD12 H 1 0.931 0.031 . 1 . . 594 . B 43 ILE HD12 . 34480 1 621 . 1 . 1 58 58 ILE HD13 H 1 0.931 0.031 . 1 . . 594 . B 43 ILE HD13 . 34480 1 622 . 1 . 1 58 58 ILE C C 13 175.267 0.0 . 1 . . 597 . B 43 ILE C . 34480 1 623 . 1 . 1 58 58 ILE CA C 13 60.457 0.056 . 1 . . 586 . B 43 ILE CA . 34480 1 624 . 1 . 1 58 58 ILE CB C 13 38.493 0.042 . 1 . . 588 . B 43 ILE CB . 34480 1 625 . 1 . 1 58 58 ILE CG1 C 13 26.709 0.293 . 1 . . 590 . B 43 ILE CG1 . 34480 1 626 . 1 . 1 58 58 ILE CG2 C 13 14.411 0.274 . 1 . . 595 . B 43 ILE CG2 . 34480 1 627 . 1 . 1 58 58 ILE CD1 C 13 17.682 0.463 . 1 . . 593 . B 43 ILE CD1 . 34480 1 628 . 1 . 1 58 58 ILE N N 15 111.028 0.033 . 1 . . 584 . B 43 ILE N . 34480 1 629 . 1 . 1 59 59 LYS H H 1 7.859 0.021 . 1 . . 599 . B 44 LYS H . 34480 1 630 . 1 . 1 59 59 LYS HA H 1 3.956 0.02 . 1 . . 601 . B 44 LYS HA . 34480 1 631 . 1 . 1 59 59 LYS HB2 H 1 1.965 0.038 . 2 . . 604 . B 44 LYS HB2 . 34480 1 632 . 1 . 1 59 59 LYS HB3 H 1 2.157 0.028 . 2 . . 603 . B 44 LYS HB3 . 34480 1 633 . 1 . 1 59 59 LYS HG2 H 1 1.360 0.034 . 2 . . 607 . B 44 LYS HG2 . 34480 1 634 . 1 . 1 59 59 LYS HG3 H 1 1.445 0.046 . 2 . . 606 . B 44 LYS HG3 . 34480 1 635 . 1 . 1 59 59 LYS HD2 H 1 1.776 0.026 . 2 . . 610 . B 44 LYS HD2 . 34480 1 636 . 1 . 1 59 59 LYS HD3 H 1 1.774 0.028 . 2 . . 609 . B 44 LYS HD3 . 34480 1 637 . 1 . 1 59 59 LYS HE2 H 1 3.053 0.035 . 2 . . 613 . B 44 LYS HE2 . 34480 1 638 . 1 . 1 59 59 LYS HE3 H 1 3.053 0.035 . 2 . . 612 . B 44 LYS HE3 . 34480 1 639 . 1 . 1 59 59 LYS C C 13 175.470 0.0 . 1 . . 614 . B 44 LYS C . 34480 1 640 . 1 . 1 59 59 LYS CA C 13 57.380 0.001 . 1 . . 600 . B 44 LYS CA . 34480 1 641 . 1 . 1 59 59 LYS CB C 13 28.758 0.282 . 1 . . 602 . B 44 LYS CB . 34480 1 642 . 1 . 1 59 59 LYS CG C 13 25.074 0.24 . 1 . . 605 . B 44 LYS CG . 34480 1 643 . 1 . 1 59 59 LYS CD C 13 29.232 0.398 . 1 . . 608 . B 44 LYS CD . 34480 1 644 . 1 . 1 59 59 LYS CE C 13 42.606 0.044 . 1 . . 611 . B 44 LYS CE . 34480 1 645 . 1 . 1 59 59 LYS N N 15 118.707 0.036 . 1 . . 598 . B 44 LYS N . 34480 1 646 . 1 . 1 60 60 MET H H 1 8.420 0.002 . 1 . . 616 . B 45 MET H . 34480 1 647 . 1 . 1 60 60 MET HA H 1 4.615 0.014 . 1 . . 618 . B 45 MET HA . 34480 1 648 . 1 . 1 60 60 MET HB2 H 1 1.304 0.042 . 2 . . 621 . B 45 MET HB2 . 34480 1 649 . 1 . 1 60 60 MET HB3 H 1 1.611 0.035 . 2 . . 620 . B 45 MET HB3 . 34480 1 650 . 1 . 1 60 60 MET HG2 H 1 1.805 0.029 . 2 . . 624 . B 45 MET HG2 . 34480 1 651 . 1 . 1 60 60 MET HG3 H 1 1.651 0.025 . 2 . . 623 . B 45 MET HG3 . 34480 1 652 . 1 . 1 60 60 MET HE1 H 1 0.826 0.036 . 1 . . 626 . B 45 MET HE1 . 34480 1 653 . 1 . 1 60 60 MET HE2 H 1 0.826 0.036 . 1 . . 626 . B 45 MET HE2 . 34480 1 654 . 1 . 1 60 60 MET HE3 H 1 0.826 0.036 . 1 . . 626 . B 45 MET HE3 . 34480 1 655 . 1 . 1 60 60 MET C C 13 174.970 0.0 . 1 . . 627 . B 45 MET C . 34480 1 656 . 1 . 1 60 60 MET CA C 13 54.305 0.0 . 1 . . 617 . B 45 MET CA . 34480 1 657 . 1 . 1 60 60 MET CB C 13 32.303 0.362 . 1 . . 619 . B 45 MET CB . 34480 1 658 . 1 . 1 60 60 MET CG C 13 31.148 0.333 . 1 . . 622 . B 45 MET CG . 34480 1 659 . 1 . 1 60 60 MET CE C 13 25.721 0.391 . 1 . . 625 . B 45 MET CE . 34480 1 660 . 1 . 1 60 60 MET N N 15 120.061 0.019 . 1 . . 615 . B 45 MET N . 34480 1 661 . 1 . 1 61 61 THR H H 1 7.180 0.015 . 1 . . 629 . B 46 THR H . 34480 1 662 . 1 . 1 61 61 THR HA H 1 4.825 0.012 . 1 . . 631 . B 46 THR HA . 34480 1 663 . 1 . 1 61 61 THR HB H 1 4.823 0.003 . 1 . . 633 . B 46 THR HB . 34480 1 664 . 1 . 1 61 61 THR HG21 H 1 1.294 0.037 . 1 . . 635 . B 46 THR HG21 . 34480 1 665 . 1 . 1 61 61 THR HG22 H 1 1.294 0.037 . 1 . . 635 . B 46 THR HG22 . 34480 1 666 . 1 . 1 61 61 THR HG23 H 1 1.294 0.037 . 1 . . 635 . B 46 THR HG23 . 34480 1 667 . 1 . 1 61 61 THR C C 13 175.348 . . 1 . . 636 . B 46 THR C . 34480 1 668 . 1 . 1 61 61 THR CA C 13 59.014 . . 1 . . 630 . B 46 THR CA . 34480 1 669 . 1 . 1 61 61 THR CB C 13 72.697 . . 1 . . 632 . B 46 THR CB . 34480 1 670 . 1 . 1 61 61 THR CG2 C 13 22.027 0.062 . 1 . . 634 . B 46 THR CG2 . 34480 1 671 . 1 . 1 61 61 THR N N 15 114.452 0.034 . 1 . . 628 . B 46 THR N . 34480 1 672 . 1 . 1 62 62 TYR H H 1 9.543 0.036 . 1 . . 638 . B 47 TYR H . 34480 1 673 . 1 . 1 62 62 TYR HA H 1 3.966 0.03 . 1 . . 640 . B 47 TYR HA . 34480 1 674 . 1 . 1 62 62 TYR HB2 H 1 2.957 0.021 . 2 . . 643 . B 47 TYR HB2 . 34480 1 675 . 1 . 1 62 62 TYR HB3 H 1 3.213 0.001 . 2 . . 642 . B 47 TYR HB3 . 34480 1 676 . 1 . 1 62 62 TYR HD1 H 1 6.866 0.031 . 1 . . 647 . B 47 TYR HD1 . 34480 1 677 . 1 . 1 62 62 TYR HD2 H 1 6.866 0.031 . 1 . . 647 . B 47 TYR HD2 . 34480 1 678 . 1 . 1 62 62 TYR HE1 H 1 6.837 0.018 . 1 . . 645 . B 47 TYR HE1 . 34480 1 679 . 1 . 1 62 62 TYR HE2 H 1 6.837 0.018 . 1 . . 645 . B 47 TYR HE2 . 34480 1 680 . 1 . 1 62 62 TYR C C 13 175.659 . . 1 . . 648 . B 47 TYR C . 34480 1 681 . 1 . 1 62 62 TYR CA C 13 63.090 0.196 . 1 . . 639 . B 47 TYR CA . 34480 1 682 . 1 . 1 62 62 TYR CB C 13 38.722 0.232 . 1 . . 641 . B 47 TYR CB . 34480 1 683 . 1 . 1 62 62 TYR CD1 C 13 132.712 . . 1 . . 646 . B 47 TYR CD1 . 34480 1 684 . 1 . 1 62 62 TYR CD2 C 13 132.712 . . 1 . . 646 . B 47 TYR CD2 . 34480 1 685 . 1 . 1 62 62 TYR CE1 C 13 119.360 . . 1 . . 644 . B 47 TYR CE1 . 34480 1 686 . 1 . 1 62 62 TYR CE2 C 13 119.360 . . 1 . . 644 . B 47 TYR CE2 . 34480 1 687 . 1 . 1 62 62 TYR N N 15 123.188 0.0 . 1 . . 637 . B 47 TYR N . 34480 1 688 . 1 . 1 63 63 GLU H H 1 9.227 0.002 . 1 . . 650 . B 48 GLU H . 34480 1 689 . 1 . 1 63 63 GLU HA H 1 3.721 0.003 . 1 . . 652 . B 48 GLU HA . 34480 1 690 . 1 . 1 63 63 GLU HB2 H 1 1.946 0.019 . 2 . . 655 . B 48 GLU HB2 . 34480 1 691 . 1 . 1 63 63 GLU HB3 H 1 2.097 0.029 . 2 . . 654 . B 48 GLU HB3 . 34480 1 692 . 1 . 1 63 63 GLU HG2 H 1 2.388 0.007 . 2 . . 658 . B 48 GLU HG2 . 34480 1 693 . 1 . 1 63 63 GLU HG3 H 1 2.597 0.031 . 2 . . 657 . B 48 GLU HG3 . 34480 1 694 . 1 . 1 63 63 GLU C C 13 179.053 0.0 . 1 . . 659 . B 48 GLU C . 34480 1 695 . 1 . 1 63 63 GLU CA C 13 60.740 0.025 . 1 . . 651 . B 48 GLU CA . 34480 1 696 . 1 . 1 63 63 GLU CB C 13 28.819 0.332 . 1 . . 653 . B 48 GLU CB . 34480 1 697 . 1 . 1 63 63 GLU CG C 13 37.692 0.036 . 1 . . 656 . B 48 GLU CG . 34480 1 698 . 1 . 1 63 63 GLU N N 15 117.058 0.018 . 1 . . 649 . B 48 GLU N . 34480 1 699 . 1 . 1 64 64 GLN H H 1 7.756 0.008 . 1 . . 661 . B 49 GLN H . 34480 1 700 . 1 . 1 64 64 GLN HA H 1 4.103 0.024 . 1 . . 663 . B 49 GLN HA . 34480 1 701 . 1 . 1 64 64 GLN HB2 H 1 2.131 0.032 . 2 . . 666 . B 49 GLN HB2 . 34480 1 702 . 1 . 1 64 64 GLN HB3 H 1 2.131 0.03 . 2 . . 665 . B 49 GLN HB3 . 34480 1 703 . 1 . 1 64 64 GLN HG2 H 1 2.336 0.019 . 2 . . 669 . B 49 GLN HG2 . 34480 1 704 . 1 . 1 64 64 GLN HG3 H 1 2.328 0.012 . 2 . . 668 . B 49 GLN HG3 . 34480 1 705 . 1 . 1 64 64 GLN C C 13 177.958 . . 1 . . 670 . B 49 GLN C . 34480 1 706 . 1 . 1 64 64 GLN CA C 13 58.410 0.018 . 1 . . 662 . B 49 GLN CA . 34480 1 707 . 1 . 1 64 64 GLN CB C 13 29.157 0.292 . 1 . . 664 . B 49 GLN CB . 34480 1 708 . 1 . 1 64 64 GLN CG C 13 34.142 0.301 . 1 . . 667 . B 49 GLN CG . 34480 1 709 . 1 . 1 64 64 GLN N N 15 119.025 0.018 . 1 . . 660 . B 49 GLN N . 34480 1 710 . 1 . 1 65 65 CYS H H 1 8.308 0.021 . 1 . . 672 . B 50 CYS H . 34480 1 711 . 1 . 1 65 65 CYS HA H 1 4.098 0.025 . 1 . . 674 . B 50 CYS HA . 34480 1 712 . 1 . 1 65 65 CYS HB2 H 1 2.969 0.038 . 2 . . 677 . B 50 CYS HB2 . 34480 1 713 . 1 . 1 65 65 CYS HB3 H 1 3.598 0.037 . 2 . . 676 . B 50 CYS HB3 . 34480 1 714 . 1 . 1 65 65 CYS C C 13 176.214 . . 1 . . 678 . B 50 CYS C . 34480 1 715 . 1 . 1 65 65 CYS CA C 13 61.219 0.249 . 1 . . 673 . B 50 CYS CA . 34480 1 716 . 1 . 1 65 65 CYS CB C 13 38.634 0.387 . 1 . . 675 . B 50 CYS CB . 34480 1 717 . 1 . 1 65 65 CYS N N 15 121.063 0.076 . 1 . . 671 . B 50 CYS N . 34480 1 718 . 1 . 1 66 66 VAL H H 1 8.149 0.02 . 1 . . 680 . B 51 VAL H . 34480 1 719 . 1 . 1 66 66 VAL HA H 1 3.457 0.026 . 1 . . 682 . B 51 VAL HA . 34480 1 720 . 1 . 1 66 66 VAL HB H 1 1.918 0.029 . 1 . . 684 . B 51 VAL HB . 34480 1 721 . 1 . 1 66 66 VAL HG11 H 1 0.584 0.027 . 2 . . 688 . B 51 VAL HG11 . 34480 1 722 . 1 . 1 66 66 VAL HG12 H 1 0.584 0.027 . 2 . . 688 . B 51 VAL HG12 . 34480 1 723 . 1 . 1 66 66 VAL HG13 H 1 0.584 0.027 . 2 . . 688 . B 51 VAL HG13 . 34480 1 724 . 1 . 1 66 66 VAL HG21 H 1 0.585 0.02 . 2 . . 686 . B 51 VAL HG21 . 34480 1 725 . 1 . 1 66 66 VAL HG22 H 1 0.585 0.02 . 2 . . 686 . B 51 VAL HG22 . 34480 1 726 . 1 . 1 66 66 VAL HG23 H 1 0.585 0.02 . 2 . . 686 . B 51 VAL HG23 . 34480 1 727 . 1 . 1 66 66 VAL C C 13 178.390 . . 1 . . 689 . B 51 VAL C . 34480 1 728 . 1 . 1 66 66 VAL CA C 13 66.147 0.016 . 1 . . 681 . B 51 VAL CA . 34480 1 729 . 1 . 1 66 66 VAL CB C 13 31.904 0.233 . 1 . . 683 . B 51 VAL CB . 34480 1 730 . 1 . 1 66 66 VAL CG1 C 13 21.358 . . 2 . . 687 . B 51 VAL CG1 . 34480 1 731 . 1 . 1 66 66 VAL CG2 C 13 21.292 . . 2 . . 685 . B 51 VAL CG2 . 34480 1 732 . 1 . 1 66 66 VAL N N 15 117.205 0.348 . 1 . . 679 . B 51 VAL N . 34480 1 733 . 1 . 1 67 67 THR H H 1 7.320 0.015 . 1 . . 691 . B 52 THR H . 34480 1 734 . 1 . 1 67 67 THR HA H 1 4.105 0.016 . 1 . . 693 . B 52 THR HA . 34480 1 735 . 1 . 1 67 67 THR HB H 1 4.323 0.009 . 1 . . 695 . B 52 THR HB . 34480 1 736 . 1 . 1 67 67 THR HG21 H 1 1.321 0.026 . 1 . . 697 . B 52 THR HG21 . 34480 1 737 . 1 . 1 67 67 THR HG22 H 1 1.321 0.026 . 1 . . 697 . B 52 THR HG22 . 34480 1 738 . 1 . 1 67 67 THR HG23 H 1 1.321 0.026 . 1 . . 697 . B 52 THR HG23 . 34480 1 739 . 1 . 1 67 67 THR C C 13 175.768 0.0 . 1 . . 698 . B 52 THR C . 34480 1 740 . 1 . 1 67 67 THR CA C 13 64.566 0.118 . 1 . . 692 . B 52 THR CA . 34480 1 741 . 1 . 1 67 67 THR CB C 13 69.379 0.107 . 1 . . 694 . B 52 THR CB . 34480 1 742 . 1 . 1 67 67 THR CG2 C 13 21.897 0.05 . 1 . . 696 . B 52 THR CG2 . 34480 1 743 . 1 . 1 67 67 THR N N 15 111.834 0.03 . 1 . . 690 . B 52 THR N . 34480 1 744 . 1 . 1 68 68 LEU H H 1 7.664 0.022 . 1 . . 700 . B 53 LEU H . 34480 1 745 . 1 . 1 68 68 LEU HA H 1 4.473 0.031 . 1 . . 702 . B 53 LEU HA . 34480 1 746 . 1 . 1 68 68 LEU HB2 H 1 1.360 0.035 . 2 . . 705 . B 53 LEU HB2 . 34480 1 747 . 1 . 1 68 68 LEU HB3 H 1 1.900 0.04 . 2 . . 704 . B 53 LEU HB3 . 34480 1 748 . 1 . 1 68 68 LEU HG H 1 1.777 0.025 . 1 . . 707 . B 53 LEU HG . 34480 1 749 . 1 . 1 68 68 LEU HD11 H 1 0.672 0.023 . 2 . . 709 . B 53 LEU HD11 . 34480 1 750 . 1 . 1 68 68 LEU HD12 H 1 0.672 0.023 . 2 . . 709 . B 53 LEU HD12 . 34480 1 751 . 1 . 1 68 68 LEU HD13 H 1 0.672 0.023 . 2 . . 709 . B 53 LEU HD13 . 34480 1 752 . 1 . 1 68 68 LEU HD21 H 1 0.309 0.004 . 2 . . 711 . B 53 LEU HD21 . 34480 1 753 . 1 . 1 68 68 LEU HD22 H 1 0.309 0.004 . 2 . . 711 . B 53 LEU HD22 . 34480 1 754 . 1 . 1 68 68 LEU HD23 H 1 0.309 0.004 . 2 . . 711 . B 53 LEU HD23 . 34480 1 755 . 1 . 1 68 68 LEU C C 13 178.999 . . 1 . . 712 . B 53 LEU C . 34480 1 756 . 1 . 1 68 68 LEU CA C 13 56.009 0.296 . 1 . . 701 . B 53 LEU CA . 34480 1 757 . 1 . 1 68 68 LEU CB C 13 43.638 0.157 . 1 . . 703 . B 53 LEU CB . 34480 1 758 . 1 . 1 68 68 LEU CG C 13 26.616 0.463 . 1 . . 706 . B 53 LEU CG . 34480 1 759 . 1 . 1 68 68 LEU CD1 C 13 21.948 . . 2 . . 708 . B 53 LEU CD1 . 34480 1 760 . 1 . 1 68 68 LEU CD2 C 13 24.736 . . 2 . . 710 . B 53 LEU CD2 . 34480 1 761 . 1 . 1 68 68 LEU N N 15 121.859 0.026 . 1 . . 699 . B 53 LEU N . 34480 1 762 . 1 . 1 69 69 ILE H H 1 7.854 0.016 . 1 . . 714 . B 54 ILE H . 34480 1 763 . 1 . 1 69 69 ILE HA H 1 4.310 0.021 . 1 . . 716 . B 54 ILE HA . 34480 1 764 . 1 . 1 69 69 ILE HB H 1 1.988 0.03 . 1 . . 718 . B 54 ILE HB . 34480 1 765 . 1 . 1 69 69 ILE HG12 H 1 1.794 0.038 . 2 . . 721 . B 54 ILE HG12 . 34480 1 766 . 1 . 1 69 69 ILE HG13 H 1 1.497 0.033 . 2 . . 720 . B 54 ILE HG13 . 34480 1 767 . 1 . 1 69 69 ILE HG21 H 1 0.835 0.028 . 1 . . 725 . B 54 ILE HG21 . 34480 1 768 . 1 . 1 69 69 ILE HG22 H 1 0.835 0.028 . 1 . . 725 . B 54 ILE HG22 . 34480 1 769 . 1 . 1 69 69 ILE HG23 H 1 0.835 0.028 . 1 . . 725 . B 54 ILE HG23 . 34480 1 770 . 1 . 1 69 69 ILE HD11 H 1 0.425 0.007 . 1 . . 723 . B 54 ILE HD11 . 34480 1 771 . 1 . 1 69 69 ILE HD12 H 1 0.425 0.007 . 1 . . 723 . B 54 ILE HD12 . 34480 1 772 . 1 . 1 69 69 ILE HD13 H 1 0.425 0.007 . 1 . . 723 . B 54 ILE HD13 . 34480 1 773 . 1 . 1 69 69 ILE C C 13 174.713 0.0 . 1 . . 726 . B 54 ILE C . 34480 1 774 . 1 . 1 69 69 ILE CA C 13 63.506 0.087 . 1 . . 715 . B 54 ILE CA . 34480 1 775 . 1 . 1 69 69 ILE CB C 13 35.090 0.206 . 1 . . 717 . B 54 ILE CB . 34480 1 776 . 1 . 1 69 69 ILE CG1 C 13 29.006 0.427 . 1 . . 719 . B 54 ILE CG1 . 34480 1 777 . 1 . 1 69 69 ILE CG2 C 13 18.072 0.436 . 1 . . 724 . B 54 ILE CG2 . 34480 1 778 . 1 . 1 69 69 ILE CD1 C 13 10.332 0.021 . 1 . . 722 . B 54 ILE CD1 . 34480 1 779 . 1 . 1 69 69 ILE N N 15 121.571 0.208 . 1 . . 713 . B 54 ILE N . 34480 1 780 . 1 . 1 70 70 PRO HA H 1 4.323 0.012 . 1 . . 728 . B 55 PRO HA . 34480 1 781 . 1 . 1 70 70 PRO HB2 H 1 1.898 0.035 . 2 . . 731 . B 55 PRO HB2 . 34480 1 782 . 1 . 1 70 70 PRO HB3 H 1 2.447 0.032 . 2 . . 730 . B 55 PRO HB3 . 34480 1 783 . 1 . 1 70 70 PRO HG2 H 1 1.947 0.033 . 2 . . 734 . B 55 PRO HG2 . 34480 1 784 . 1 . 1 70 70 PRO HG3 H 1 2.232 0.037 . 2 . . 733 . B 55 PRO HG3 . 34480 1 785 . 1 . 1 70 70 PRO HD2 H 1 3.474 0.018 . 2 . . 737 . B 55 PRO HD2 . 34480 1 786 . 1 . 1 70 70 PRO HD3 H 1 3.840 0.018 . 2 . . 736 . B 55 PRO HD3 . 34480 1 787 . 1 . 1 70 70 PRO C C 13 178.201 0.0 . 1 . . 738 . B 55 PRO C . 34480 1 788 . 1 . 1 70 70 PRO CA C 13 67.473 0.112 . 1 . . 727 . B 55 PRO CA . 34480 1 789 . 1 . 1 70 70 PRO CB C 13 31.058 0.366 . 1 . . 729 . B 55 PRO CB . 34480 1 790 . 1 . 1 70 70 PRO CG C 13 29.261 0.426 . 1 . . 732 . B 55 PRO CG . 34480 1 791 . 1 . 1 70 70 PRO CD C 13 51.258 0.193 . 1 . . 735 . B 55 PRO CD . 34480 1 792 . 1 . 1 71 71 GLU H H 1 7.821 0.022 . 1 . . 740 . B 56 GLU H . 34480 1 793 . 1 . 1 71 71 GLU HA H 1 4.197 0.032 . 1 . . 742 . B 56 GLU HA . 34480 1 794 . 1 . 1 71 71 GLU HB2 H 1 2.232 0.035 . 2 . . 745 . B 56 GLU HB2 . 34480 1 795 . 1 . 1 71 71 GLU HB3 H 1 2.237 0.034 . 2 . . 744 . B 56 GLU HB3 . 34480 1 796 . 1 . 1 71 71 GLU HG2 H 1 2.465 0.023 . 2 . . 748 . B 56 GLU HG2 . 34480 1 797 . 1 . 1 71 71 GLU HG3 H 1 2.277 0.035 . 2 . . 747 . B 56 GLU HG3 . 34480 1 798 . 1 . 1 71 71 GLU C C 13 179.796 0.0 . 1 . . 749 . B 56 GLU C . 34480 1 799 . 1 . 1 71 71 GLU CA C 13 59.446 0.315 . 1 . . 741 . B 56 GLU CA . 34480 1 800 . 1 . 1 71 71 GLU CB C 13 29.991 0.381 . 1 . . 743 . B 56 GLU CB . 34480 1 801 . 1 . 1 71 71 GLU CG C 13 36.697 0.142 . 1 . . 746 . B 56 GLU CG . 34480 1 802 . 1 . 1 71 71 GLU N N 15 116.608 0.019 . 1 . . 739 . B 56 GLU N . 34480 1 803 . 1 . 1 72 72 SER H H 1 7.814 0.016 . 1 . . 751 . B 57 SER H . 34480 1 804 . 1 . 1 72 72 SER HA H 1 4.595 0.028 . 1 . . 753 . B 57 SER HA . 34480 1 805 . 1 . 1 72 72 SER HB2 H 1 4.328 0.03 . 2 . . 756 . B 57 SER HB2 . 34480 1 806 . 1 . 1 72 72 SER HB3 H 1 4.214 0.032 . 2 . . 755 . B 57 SER HB3 . 34480 1 807 . 1 . 1 72 72 SER C C 13 175.754 0.0 . 1 . . 757 . B 57 SER C . 34480 1 808 . 1 . 1 72 72 SER CA C 13 62.718 0.0 . 1 . . 752 . B 57 SER CA . 34480 1 809 . 1 . 1 72 72 SER CB C 13 65.047 0.121 . 1 . . 754 . B 57 SER CB . 34480 1 810 . 1 . 1 72 72 SER N N 15 118.461 0.099 . 1 . . 750 . B 57 SER N . 34480 1 811 . 1 . 1 73 73 THR H H 1 8.605 0.016 . 1 . . 759 . B 58 THR H . 34480 1 812 . 1 . 1 73 73 THR HA H 1 3.629 0.023 . 1 . . 761 . B 58 THR HA . 34480 1 813 . 1 . 1 73 73 THR HB H 1 4.326 0.027 . 1 . . 763 . B 58 THR HB . 34480 1 814 . 1 . 1 73 73 THR HG21 H 1 1.171 0.033 . 1 . . 765 . B 58 THR HG21 . 34480 1 815 . 1 . 1 73 73 THR HG22 H 1 1.171 0.033 . 1 . . 765 . B 58 THR HG22 . 34480 1 816 . 1 . 1 73 73 THR HG23 H 1 1.171 0.033 . 1 . . 765 . B 58 THR HG23 . 34480 1 817 . 1 . 1 73 73 THR C C 13 175.605 . . 1 . . 766 . B 58 THR C . 34480 1 818 . 1 . 1 73 73 THR CA C 13 66.928 0.239 . 1 . . 760 . B 58 THR CA . 34480 1 819 . 1 . 1 73 73 THR CB C 13 67.537 0.1 . 1 . . 762 . B 58 THR CB . 34480 1 820 . 1 . 1 73 73 THR CG2 C 13 22.899 0.392 . 1 . . 764 . B 58 THR CG2 . 34480 1 821 . 1 . 1 73 73 THR N N 15 119.976 0.061 . 1 . . 758 . B 58 THR N . 34480 1 822 . 1 . 1 74 74 LYS H H 1 7.854 0.009 . 1 . . 768 . B 59 LYS H . 34480 1 823 . 1 . 1 74 74 LYS HA H 1 3.987 0.031 . 1 . . 770 . B 59 LYS HA . 34480 1 824 . 1 . 1 74 74 LYS HB2 H 1 1.962 0.038 . 2 . . 773 . B 59 LYS HB2 . 34480 1 825 . 1 . 1 74 74 LYS HB3 H 1 1.922 0.029 . 2 . . 772 . B 59 LYS HB3 . 34480 1 826 . 1 . 1 74 74 LYS HG2 H 1 1.436 0.038 . 2 . . 776 . B 59 LYS HG2 . 34480 1 827 . 1 . 1 74 74 LYS HG3 H 1 1.441 0.036 . 2 . . 775 . B 59 LYS HG3 . 34480 1 828 . 1 . 1 74 74 LYS HD2 H 1 1.762 0.028 . 2 . . 779 . B 59 LYS HD2 . 34480 1 829 . 1 . 1 74 74 LYS HD3 H 1 1.602 0.03 . 2 . . 778 . B 59 LYS HD3 . 34480 1 830 . 1 . 1 74 74 LYS HE2 H 1 3.102 0.032 . 2 . . 782 . B 59 LYS HE2 . 34480 1 831 . 1 . 1 74 74 LYS HE3 H 1 3.093 0.026 . 2 . . 781 . B 59 LYS HE3 . 34480 1 832 . 1 . 1 74 74 LYS C C 13 177.538 . . 1 . . 783 . B 59 LYS C . 34480 1 833 . 1 . 1 74 74 LYS CA C 13 59.370 0.001 . 1 . . 769 . B 59 LYS CA . 34480 1 834 . 1 . 1 74 74 LYS CB C 13 32.712 0.33 . 1 . . 771 . B 59 LYS CB . 34480 1 835 . 1 . 1 74 74 LYS CG C 13 25.034 0.257 . 1 . . 774 . B 59 LYS CG . 34480 1 836 . 1 . 1 74 74 LYS CD C 13 29.222 0.279 . 1 . . 777 . B 59 LYS CD . 34480 1 837 . 1 . 1 74 74 LYS CE C 13 42.724 0.165 . 1 . . 780 . B 59 LYS CE . 34480 1 838 . 1 . 1 74 74 LYS N N 15 121.401 0.206 . 1 . . 767 . B 59 LYS N . 34480 1 839 . 1 . 1 75 75 LYS H H 1 7.293 0.015 . 1 . . 785 . B 60 LYS H . 34480 1 840 . 1 . 1 75 75 LYS HA H 1 4.108 0.026 . 1 . . 787 . B 60 LYS HA . 34480 1 841 . 1 . 1 75 75 LYS HB2 H 1 1.924 0.024 . 2 . . 790 . B 60 LYS HB2 . 34480 1 842 . 1 . 1 75 75 LYS HB3 H 1 2.123 0.036 . 2 . . 789 . B 60 LYS HB3 . 34480 1 843 . 1 . 1 75 75 LYS HG2 H 1 1.416 0.031 . 2 . . 793 . B 60 LYS HG2 . 34480 1 844 . 1 . 1 75 75 LYS HG3 H 1 1.613 0.029 . 2 . . 792 . B 60 LYS HG3 . 34480 1 845 . 1 . 1 75 75 LYS HD2 H 1 1.623 0.038 . 2 . . 796 . B 60 LYS HD2 . 34480 1 846 . 1 . 1 75 75 LYS HD3 H 1 1.636 0.036 . 2 . . 795 . B 60 LYS HD3 . 34480 1 847 . 1 . 1 75 75 LYS HE2 H 1 3.109 0.007 . 2 . . 799 . B 60 LYS HE2 . 34480 1 848 . 1 . 1 75 75 LYS HE3 H 1 3.019 0.033 . 2 . . 798 . B 60 LYS HE3 . 34480 1 849 . 1 . 1 75 75 LYS C C 13 179.702 0.0 . 1 . . 800 . B 60 LYS C . 34480 1 850 . 1 . 1 75 75 LYS CA C 13 59.660 0.191 . 1 . . 786 . B 60 LYS CA . 34480 1 851 . 1 . 1 75 75 LYS CB C 13 32.666 0.406 . 1 . . 788 . B 60 LYS CB . 34480 1 852 . 1 . 1 75 75 LYS CG C 13 24.953 0.26 . 1 . . 791 . B 60 LYS CG . 34480 1 853 . 1 . 1 75 75 LYS CD C 13 30.652 0.445 . 1 . . 794 . B 60 LYS CD . 34480 1 854 . 1 . 1 75 75 LYS CE C 13 42.648 0.063 . 1 . . 797 . B 60 LYS CE . 34480 1 855 . 1 . 1 75 75 LYS N N 15 118.597 0.012 . 1 . . 784 . B 60 LYS N . 34480 1 856 . 1 . 1 76 76 CYS H H 1 8.124 0.02 . 1 . . 802 . B 61 CYS H . 34480 1 857 . 1 . 1 76 76 CYS HA H 1 4.424 0.03 . 1 . . 804 . B 61 CYS HA . 34480 1 858 . 1 . 1 76 76 CYS HB2 H 1 2.783 0.024 . 2 . . 807 . B 61 CYS HB2 . 34480 1 859 . 1 . 1 76 76 CYS HB3 H 1 3.106 0.021 . 2 . . 806 . B 61 CYS HB3 . 34480 1 860 . 1 . 1 76 76 CYS C C 13 176.078 0.0 . 1 . . 808 . B 61 CYS C . 34480 1 861 . 1 . 1 76 76 CYS CA C 13 60.661 0.064 . 1 . . 803 . B 61 CYS CA . 34480 1 862 . 1 . 1 76 76 CYS CB C 13 42.867 0.258 . 1 . . 805 . B 61 CYS CB . 34480 1 863 . 1 . 1 76 76 CYS N N 15 116.510 0.298 . 1 . . 801 . B 61 CYS N . 34480 1 864 . 1 . 1 77 77 GLN H H 1 9.135 0.017 . 1 . . 810 . B 62 GLN H . 34480 1 865 . 1 . 1 77 77 GLN HA H 1 3.871 0.038 . 1 . . 812 . B 62 GLN HA . 34480 1 866 . 1 . 1 77 77 GLN HB2 H 1 2.125 0.028 . 2 . . 815 . B 62 GLN HB2 . 34480 1 867 . 1 . 1 77 77 GLN HB3 H 1 2.208 0.043 . 2 . . 814 . B 62 GLN HB3 . 34480 1 868 . 1 . 1 77 77 GLN HG2 H 1 2.368 0.034 . 2 . . 818 . B 62 GLN HG2 . 34480 1 869 . 1 . 1 77 77 GLN HG3 H 1 2.407 0.033 . 2 . . 817 . B 62 GLN HG3 . 34480 1 870 . 1 . 1 77 77 GLN C C 13 177.403 . . 1 . . 819 . B 62 GLN C . 34480 1 871 . 1 . 1 77 77 GLN CA C 13 60.690 0.008 . 1 . . 811 . B 62 GLN CA . 34480 1 872 . 1 . 1 77 77 GLN CB C 13 28.650 0.49 . 1 . . 813 . B 62 GLN CB . 34480 1 873 . 1 . 1 77 77 GLN CG C 13 34.616 0.309 . 1 . . 816 . B 62 GLN CG . 34480 1 874 . 1 . 1 77 77 GLN N N 15 121.460 0.011 . 1 . . 809 . B 62 GLN N . 34480 1 875 . 1 . 1 78 78 ASP H H 1 8.118 0.012 . 1 . . 821 . B 63 ASP H . 34480 1 876 . 1 . 1 78 78 ASP HA H 1 4.443 0.023 . 1 . . 823 . B 63 ASP HA . 34480 1 877 . 1 . 1 78 78 ASP HB2 H 1 2.774 0.011 . 2 . . 826 . B 63 ASP HB2 . 34480 1 878 . 1 . 1 78 78 ASP HB3 H 1 2.898 0.013 . 2 . . 825 . B 63 ASP HB3 . 34480 1 879 . 1 . 1 78 78 ASP C C 13 179.066 0.0 . 1 . . 827 . B 63 ASP C . 34480 1 880 . 1 . 1 78 78 ASP CA C 13 57.341 0.062 . 1 . . 822 . B 63 ASP CA . 34480 1 881 . 1 . 1 78 78 ASP CB C 13 40.091 0.053 . 1 . . 824 . B 63 ASP CB . 34480 1 882 . 1 . 1 78 78 ASP N N 15 117.798 0.019 . 1 . . 820 . B 63 ASP N . 34480 1 883 . 1 . 1 79 79 GLU H H 1 7.967 0.009 . 1 . . 829 . B 64 GLU H . 34480 1 884 . 1 . 1 79 79 GLU HA H 1 4.198 0.027 . 1 . . 831 . B 64 GLU HA . 34480 1 885 . 1 . 1 79 79 GLU HB2 H 1 2.212 0.036 . 2 . . 834 . B 64 GLU HB2 . 34480 1 886 . 1 . 1 79 79 GLU HB3 H 1 2.325 0.027 . 2 . . 833 . B 64 GLU HB3 . 34480 1 887 . 1 . 1 79 79 GLU HG2 H 1 2.475 0.021 . 2 . . 837 . B 64 GLU HG2 . 34480 1 888 . 1 . 1 79 79 GLU HG3 H 1 2.476 0.02 . 2 . . 836 . B 64 GLU HG3 . 34480 1 889 . 1 . 1 79 79 GLU C C 13 178.809 . . 1 . . 838 . B 64 GLU C . 34480 1 890 . 1 . 1 79 79 GLU CA C 13 59.353 0.194 . 1 . . 830 . B 64 GLU CA . 34480 1 891 . 1 . 1 79 79 GLU CB C 13 30.204 0.361 . 1 . . 832 . B 64 GLU CB . 34480 1 892 . 1 . 1 79 79 GLU CG C 13 36.684 0.068 . 1 . . 835 . B 64 GLU CG . 34480 1 893 . 1 . 1 79 79 GLU N N 15 119.334 0.038 . 1 . . 828 . B 64 GLU N . 34480 1 894 . 1 . 1 80 80 LEU H H 1 8.132 0.022 . 1 . . 840 . B 65 LEU H . 34480 1 895 . 1 . 1 80 80 LEU HA H 1 4.463 0.039 . 1 . . 842 . B 65 LEU HA . 34480 1 896 . 1 . 1 80 80 LEU HB2 H 1 1.767 0.021 . 2 . . 845 . B 65 LEU HB2 . 34480 1 897 . 1 . 1 80 80 LEU HB3 H 1 1.928 0.022 . 2 . . 844 . B 65 LEU HB3 . 34480 1 898 . 1 . 1 80 80 LEU HG H 1 2.108 0.03 . 1 . . 847 . B 65 LEU HG . 34480 1 899 . 1 . 1 80 80 LEU HD11 H 1 1.088 0.038 . 2 . . 849 . B 65 LEU HD11 . 34480 1 900 . 1 . 1 80 80 LEU HD12 H 1 1.088 0.038 . 2 . . 849 . B 65 LEU HD12 . 34480 1 901 . 1 . 1 80 80 LEU HD13 H 1 1.088 0.038 . 2 . . 849 . B 65 LEU HD13 . 34480 1 902 . 1 . 1 80 80 LEU HD21 H 1 1.150 0.03 . 2 . . 851 . B 65 LEU HD21 . 34480 1 903 . 1 . 1 80 80 LEU HD22 H 1 1.150 0.03 . 2 . . 851 . B 65 LEU HD22 . 34480 1 904 . 1 . 1 80 80 LEU HD23 H 1 1.150 0.03 . 2 . . 851 . B 65 LEU HD23 . 34480 1 905 . 1 . 1 80 80 LEU C C 13 178.525 0.0 . 1 . . 852 . B 65 LEU C . 34480 1 906 . 1 . 1 80 80 LEU CA C 13 55.966 0.412 . 1 . . 841 . B 65 LEU CA . 34480 1 907 . 1 . 1 80 80 LEU CB C 13 43.519 0.186 . 1 . . 843 . B 65 LEU CB . 34480 1 908 . 1 . 1 80 80 LEU CG C 13 27.870 0.122 . 1 . . 846 . B 65 LEU CG . 34480 1 909 . 1 . 1 80 80 LEU CD1 C 13 25.228 . . 2 . . 848 . B 65 LEU CD1 . 34480 1 910 . 1 . 1 80 80 LEU CD2 C 13 23.424 . . 2 . . 850 . B 65 LEU CD2 . 34480 1 911 . 1 . 1 80 80 LEU N N 15 117.351 0.464 . 1 . . 839 . B 65 LEU N . 34480 1 912 . 1 . 1 81 81 TYR H H 1 8.297 0.014 . 1 . . 854 . B 66 TYR H . 34480 1 913 . 1 . 1 81 81 TYR HA H 1 3.900 0.024 . 1 . . 856 . B 66 TYR HA . 34480 1 914 . 1 . 1 81 81 TYR HB2 H 1 2.935 0.024 . 2 . . 859 . B 66 TYR HB2 . 34480 1 915 . 1 . 1 81 81 TYR HB3 H 1 3.671 0.024 . 2 . . 858 . B 66 TYR HB3 . 34480 1 916 . 1 . 1 81 81 TYR HD1 H 1 6.951 0.004 . 1 . . 863 . B 66 TYR HD1 . 34480 1 917 . 1 . 1 81 81 TYR HD2 H 1 6.951 0.004 . 1 . . 863 . B 66 TYR HD2 . 34480 1 918 . 1 . 1 81 81 TYR HE1 H 1 6.802 0.026 . 1 . . 861 . B 66 TYR HE1 . 34480 1 919 . 1 . 1 81 81 TYR HE2 H 1 6.802 0.026 . 1 . . 861 . B 66 TYR HE2 . 34480 1 920 . 1 . 1 81 81 TYR C C 13 178.404 0.0 . 1 . . 864 . B 66 TYR C . 34480 1 921 . 1 . 1 81 81 TYR CA C 13 63.469 0.382 . 1 . . 855 . B 66 TYR CA . 34480 1 922 . 1 . 1 81 81 TYR CB C 13 39.261 0.365 . 1 . . 857 . B 66 TYR CB . 34480 1 923 . 1 . 1 81 81 TYR CD1 C 13 133.159 . . 1 . . 862 . B 66 TYR CD1 . 34480 1 924 . 1 . 1 81 81 TYR CD2 C 13 133.159 . . 1 . . 862 . B 66 TYR CD2 . 34480 1 925 . 1 . 1 81 81 TYR CE1 C 13 117.970 . . 1 . . 860 . B 66 TYR CE1 . 34480 1 926 . 1 . 1 81 81 TYR CE2 C 13 117.970 . . 1 . . 860 . B 66 TYR CE2 . 34480 1 927 . 1 . 1 81 81 TYR N N 15 120.994 0.07 . 1 . . 853 . B 66 TYR N . 34480 1 928 . 1 . 1 82 82 ALA H H 1 8.909 0.029 . 1 . . 866 . B 67 ALA H . 34480 1 929 . 1 . 1 82 82 ALA HA H 1 4.070 0.01 . 1 . . 868 . B 67 ALA HA . 34480 1 930 . 1 . 1 82 82 ALA HB1 H 1 1.534 0.021 . 1 . . 870 . B 67 ALA HB1 . 34480 1 931 . 1 . 1 82 82 ALA HB2 H 1 1.534 0.021 . 1 . . 870 . B 67 ALA HB2 . 34480 1 932 . 1 . 1 82 82 ALA HB3 H 1 1.534 0.021 . 1 . . 870 . B 67 ALA HB3 . 34480 1 933 . 1 . 1 82 82 ALA C C 13 178.620 0.0 . 1 . . 871 . B 67 ALA C . 34480 1 934 . 1 . 1 82 82 ALA CA C 13 54.368 0.062 . 1 . . 867 . B 67 ALA CA . 34480 1 935 . 1 . 1 82 82 ALA CB C 13 18.460 0.11 . 1 . . 869 . B 67 ALA CB . 34480 1 936 . 1 . 1 82 82 ALA N N 15 118.941 0.111 . 1 . . 865 . B 67 ALA N . 34480 1 937 . 1 . 1 83 83 SER H H 1 7.854 0.003 . 1 . . 873 . B 68 SER H . 34480 1 938 . 1 . 1 83 83 SER HA H 1 4.388 0.019 . 1 . . 875 . B 68 SER HA . 34480 1 939 . 1 . 1 83 83 SER HB2 H 1 4.088 0.023 . 2 . . 878 . B 68 SER HB2 . 34480 1 940 . 1 . 1 83 83 SER HB3 H 1 4.082 0.021 . 2 . . 877 . B 68 SER HB3 . 34480 1 941 . 1 . 1 83 83 SER C C 13 173.550 0.0 . 1 . . 879 . B 68 SER C . 34480 1 942 . 1 . 1 83 83 SER CA C 13 59.032 0.269 . 1 . . 874 . B 68 SER CA . 34480 1 943 . 1 . 1 83 83 SER CB C 13 64.350 0.107 . 1 . . 876 . B 68 SER CB . 34480 1 944 . 1 . 1 83 83 SER N N 15 112.094 0.021 . 1 . . 872 . B 68 SER N . 34480 1 945 . 1 . 1 84 84 MET H H 1 6.932 0.01 . 1 . . 881 . B 69 MET H . 34480 1 946 . 1 . 1 84 84 MET HA H 1 3.097 0.012 . 1 . . 883 . B 69 MET HA . 34480 1 947 . 1 . 1 84 84 MET HB2 H 1 1.366 0.022 . 2 . . 886 . B 69 MET HB2 . 34480 1 948 . 1 . 1 84 84 MET HB3 H 1 1.134 0.019 . 2 . . 885 . B 69 MET HB3 . 34480 1 949 . 1 . 1 84 84 MET HG2 H 1 0.943 0.014 . 2 . . 889 . B 69 MET HG2 . 34480 1 950 . 1 . 1 84 84 MET HG3 H 1 2.017 0.042 . 2 . . 888 . B 69 MET HG3 . 34480 1 951 . 1 . 1 84 84 MET HE1 H 1 0.007 0.006 . 1 . . 891 . B 69 MET HE1 . 34480 1 952 . 1 . 1 84 84 MET HE2 H 1 0.007 0.006 . 1 . . 891 . B 69 MET HE2 . 34480 1 953 . 1 . 1 84 84 MET HE3 H 1 0.007 0.006 . 1 . . 891 . B 69 MET HE3 . 34480 1 954 . 1 . 1 84 84 MET C C 13 173.307 0.0 . 1 . . 892 . B 69 MET C . 34480 1 955 . 1 . 1 84 84 MET CA C 13 54.259 0.01 . 1 . . 882 . B 69 MET CA . 34480 1 956 . 1 . 1 84 84 MET CB C 13 32.792 0.201 . 1 . . 884 . B 69 MET CB . 34480 1 957 . 1 . 1 84 84 MET CG C 13 31.818 0.246 . 1 . . 887 . B 69 MET CG . 34480 1 958 . 1 . 1 84 84 MET CE C 13 9.661 0.036 . 1 . . 890 . B 69 MET CE . 34480 1 959 . 1 . 1 84 84 MET N N 15 121.787 0.039 . 1 . . 880 . B 69 MET N . 34480 1 960 . 1 . 1 85 85 PRO HA H 1 4.350 0.029 . 1 . . 894 . B 70 PRO HA . 34480 1 961 . 1 . 1 85 85 PRO HB2 H 1 2.085 0.035 . 2 . . 897 . B 70 PRO HB2 . 34480 1 962 . 1 . 1 85 85 PRO HB3 H 1 2.258 0.019 . 2 . . 896 . B 70 PRO HB3 . 34480 1 963 . 1 . 1 85 85 PRO HG2 H 1 2.009 0.026 . 2 . . 900 . B 70 PRO HG2 . 34480 1 964 . 1 . 1 85 85 PRO HG3 H 1 1.802 0.02 . 2 . . 899 . B 70 PRO HG3 . 34480 1 965 . 1 . 1 85 85 PRO HD2 H 1 3.276 0.027 . 1 . . 903 . B 70 PRO HD2 . 34480 1 966 . 1 . 1 85 85 PRO HD3 H 1 3.276 0.027 . 1 . . 902 . B 70 PRO HD3 . 34480 1 967 . 1 . 1 85 85 PRO C C 13 173.983 . . 1 . . 904 . B 70 PRO C . 34480 1 968 . 1 . 1 85 85 PRO CA C 13 61.901 0.114 . 1 . . 893 . B 70 PRO CA . 34480 1 969 . 1 . 1 85 85 PRO CB C 13 31.865 0.072 . 1 . . 895 . B 70 PRO CB . 34480 1 970 . 1 . 1 85 85 PRO CG C 13 27.094 0.239 . 1 . . 898 . B 70 PRO CG . 34480 1 971 . 1 . 1 85 85 PRO CD C 13 49.877 0.012 . 1 . . 901 . B 70 PRO CD . 34480 1 972 . 1 . 1 86 86 ASP H H 1 7.957 0.002 . 1 . . 906 . B 71 ASP H . 34480 1 973 . 1 . 1 86 86 ASP HA H 1 4.070 0.005 . 1 . . 908 . B 71 ASP HA . 34480 1 974 . 1 . 1 86 86 ASP HB2 H 1 2.528 0.016 . 2 . . 911 . B 71 ASP HB2 . 34480 1 975 . 1 . 1 86 86 ASP HB3 H 1 2.669 0.004 . 2 . . 910 . B 71 ASP HB3 . 34480 1 976 . 1 . 1 86 86 ASP C C 13 177.160 0.0 . 1 . . 912 . B 71 ASP C . 34480 1 977 . 1 . 1 86 86 ASP CA C 13 57.360 0.006 . 1 . . 907 . B 71 ASP CA . 34480 1 978 . 1 . 1 86 86 ASP CB C 13 40.980 0.158 . 1 . . 909 . B 71 ASP CB . 34480 1 979 . 1 . 1 86 86 ASP N N 15 115.100 0.014 . 1 . . 905 . B 71 ASP N . 34480 1 980 . 1 . 1 87 87 LYS H H 1 7.573 0.027 . 1 . . 914 . B 72 LYS H . 34480 1 981 . 1 . 1 87 87 LYS HA H 1 4.851 0.011 . 1 . . 916 . B 72 LYS HA . 34480 1 982 . 1 . 1 87 87 LYS HB2 H 1 1.592 0.026 . 2 . . 919 . B 72 LYS HB2 . 34480 1 983 . 1 . 1 87 87 LYS HB3 H 1 1.455 0.009 . 2 . . 918 . B 72 LYS HB3 . 34480 1 984 . 1 . 1 87 87 LYS HG2 H 1 1.336 0.017 . 2 . . 922 . B 72 LYS HG2 . 34480 1 985 . 1 . 1 87 87 LYS HG3 H 1 1.190 0.016 . 2 . . 921 . B 72 LYS HG3 . 34480 1 986 . 1 . 1 87 87 LYS HD2 H 1 1.588 0.028 . 2 . . 925 . B 72 LYS HD2 . 34480 1 987 . 1 . 1 87 87 LYS HD3 H 1 1.589 0.026 . 2 . . 924 . B 72 LYS HD3 . 34480 1 988 . 1 . 1 87 87 LYS HE2 H 1 2.888 0.003 . 2 . . 928 . B 72 LYS HE2 . 34480 1 989 . 1 . 1 87 87 LYS HE3 H 1 2.888 0.003 . 2 . . 927 . B 72 LYS HE3 . 34480 1 990 . 1 . 1 87 87 LYS C C 13 174.348 0.0 . 1 . . 929 . B 72 LYS C . 34480 1 991 . 1 . 1 87 87 LYS CA C 13 54.032 0.027 . 1 . . 915 . B 72 LYS CA . 34480 1 992 . 1 . 1 87 87 LYS CB C 13 35.302 0.02 . 1 . . 917 . B 72 LYS CB . 34480 1 993 . 1 . 1 87 87 LYS CG C 13 24.701 0.04 . 1 . . 920 . B 72 LYS CG . 34480 1 994 . 1 . 1 87 87 LYS CD C 13 29.071 0.108 . 1 . . 923 . B 72 LYS CD . 34480 1 995 . 1 . 1 87 87 LYS CE C 13 42.078 0.007 . 1 . . 926 . B 72 LYS CE . 34480 1 996 . 1 . 1 87 87 LYS N N 15 116.440 0.077 . 1 . . 913 . B 72 LYS N . 34480 1 997 . 1 . 1 88 88 ILE H H 1 8.945 0.005 . 1 . . 931 . B 73 ILE H . 34480 1 998 . 1 . 1 88 88 ILE HA H 1 3.922 0.026 . 1 . . 933 . B 73 ILE HA . 34480 1 999 . 1 . 1 88 88 ILE HB H 1 1.310 0.02 . 1 . . 935 . B 73 ILE HB . 34480 1 1000 . 1 . 1 88 88 ILE HG12 H 1 0.828 0.023 . 2 . . 938 . B 73 ILE HG12 . 34480 1 1001 . 1 . 1 88 88 ILE HG13 H 1 0.828 0.025 . 2 . . 937 . B 73 ILE HG13 . 34480 1 1002 . 1 . 1 88 88 ILE HG21 H 1 -0.086 0.003 . 1 . . 942 . B 73 ILE HG21 . 34480 1 1003 . 1 . 1 88 88 ILE HG22 H 1 -0.086 0.003 . 1 . . 942 . B 73 ILE HG22 . 34480 1 1004 . 1 . 1 88 88 ILE HG23 H 1 -0.086 0.003 . 1 . . 942 . B 73 ILE HG23 . 34480 1 1005 . 1 . 1 88 88 ILE HD11 H 1 0.007 0.001 . 1 . . 940 . B 73 ILE HD11 . 34480 1 1006 . 1 . 1 88 88 ILE HD12 H 1 0.007 0.001 . 1 . . 940 . B 73 ILE HD12 . 34480 1 1007 . 1 . 1 88 88 ILE HD13 H 1 0.007 0.001 . 1 . . 940 . B 73 ILE HD13 . 34480 1 1008 . 1 . 1 88 88 ILE C C 13 174.645 0.0 . 1 . . 943 . B 73 ILE C . 34480 1 1009 . 1 . 1 88 88 ILE CA C 13 58.268 0.122 . 1 . . 932 . B 73 ILE CA . 34480 1 1010 . 1 . 1 88 88 ILE CB C 13 39.131 0.024 . 1 . . 934 . B 73 ILE CB . 34480 1 1011 . 1 . 1 88 88 ILE CG1 C 13 25.704 0.392 . 1 . . 936 . B 73 ILE CG1 . 34480 1 1012 . 1 . 1 88 88 ILE CG2 C 13 15.930 0.03 . 1 . . 941 . B 73 ILE CG2 . 34480 1 1013 . 1 . 1 88 88 ILE CD1 C 13 9.660 0.036 . 1 . . 939 . B 73 ILE CD1 . 34480 1 1014 . 1 . 1 88 88 ILE N N 15 122.265 0.073 . 1 . . 930 . B 73 ILE N . 34480 1 1015 . 1 . 1 89 89 ASN H H 1 7.647 0.024 . 1 . . 945 . B 74 ASN H . 34480 1 1016 . 1 . 1 89 89 ASN HA H 1 5.165 0.006 . 1 . . 947 . B 74 ASN HA . 34480 1 1017 . 1 . 1 89 89 ASN HB2 H 1 2.791 0.035 . 2 . . 950 . B 74 ASN HB2 . 34480 1 1018 . 1 . 1 89 89 ASN HB3 H 1 3.357 0.019 . 2 . . 949 . B 74 ASN HB3 . 34480 1 1019 . 1 . 1 89 89 ASN C C 13 175.470 0.0 . 1 . . 951 . B 74 ASN C . 34480 1 1020 . 1 . 1 89 89 ASN CA C 13 51.252 0.056 . 1 . . 946 . B 74 ASN CA . 34480 1 1021 . 1 . 1 89 89 ASN CB C 13 40.195 0.157 . 1 . . 948 . B 74 ASN CB . 34480 1 1022 . 1 . 1 89 89 ASN N N 15 124.029 0.022 . 1 . . 944 . B 74 ASN N . 34480 1 1023 . 1 . 1 90 90 SER H H 1 8.520 0.021 . 1 . . 953 . B 75 SER H . 34480 1 1024 . 1 . 1 90 90 SER HA H 1 4.108 0.023 . 1 . . 955 . B 75 SER HA . 34480 1 1025 . 1 . 1 90 90 SER HB2 H 1 3.923 0.019 . 2 . . 958 . B 75 SER HB2 . 34480 1 1026 . 1 . 1 90 90 SER HB3 H 1 3.922 0.024 . 2 . . 957 . B 75 SER HB3 . 34480 1 1027 . 1 . 1 90 90 SER CA C 13 61.507 0.474 . 1 . . 954 . B 75 SER CA . 34480 1 1028 . 1 . 1 90 90 SER CB C 13 63.152 0.326 . 1 . . 956 . B 75 SER CB . 34480 1 1029 . 1 . 1 90 90 SER N N 15 113.406 0.0 . 1 . . 952 . B 75 SER N . 34480 1 1030 . 1 . 1 91 91 GLU H H 1 8.314 0.019 . 1 . . 960 . B 76 GLU H . 34480 1 1031 . 1 . 1 91 91 GLU HA H 1 4.186 0.032 . 1 . . 962 . B 76 GLU HA . 34480 1 1032 . 1 . 1 91 91 GLU HB2 H 1 2.202 0.032 . 2 . . 965 . B 76 GLU HB2 . 34480 1 1033 . 1 . 1 91 91 GLU HB3 H 1 2.202 0.033 . 2 . . 964 . B 76 GLU HB3 . 34480 1 1034 . 1 . 1 91 91 GLU HG2 H 1 2.303 0.027 . 2 . . 968 . B 76 GLU HG2 . 34480 1 1035 . 1 . 1 91 91 GLU HG3 H 1 2.300 0.027 . 2 . . 967 . B 76 GLU HG3 . 34480 1 1036 . 1 . 1 91 91 GLU C C 13 179.364 0.0 . 1 . . 969 . B 76 GLU C . 34480 1 1037 . 1 . 1 91 91 GLU CA C 13 59.354 0.28 . 1 . . 961 . B 76 GLU CA . 34480 1 1038 . 1 . 1 91 91 GLU CB C 13 29.877 0.302 . 1 . . 963 . B 76 GLU CB . 34480 1 1039 . 1 . 1 91 91 GLU CG C 13 36.633 0.114 . 1 . . 966 . B 76 GLU CG . 34480 1 1040 . 1 . 1 91 91 GLU N N 15 121.160 0.124 . 1 . . 959 . B 76 GLU N . 34480 1 1041 . 1 . 1 92 92 THR H H 1 8.378 0.025 . 1 . . 971 . B 77 THR H . 34480 1 1042 . 1 . 1 92 92 THR HA H 1 4.425 0.039 . 1 . . 973 . B 77 THR HA . 34480 1 1043 . 1 . 1 92 92 THR HB H 1 4.468 0.019 . 1 . . 975 . B 77 THR HB . 34480 1 1044 . 1 . 1 92 92 THR HG21 H 1 1.410 0.031 . 1 . . 977 . B 77 THR HG21 . 34480 1 1045 . 1 . 1 92 92 THR HG22 H 1 1.410 0.031 . 1 . . 977 . B 77 THR HG22 . 34480 1 1046 . 1 . 1 92 92 THR HG23 H 1 1.410 0.031 . 1 . . 977 . B 77 THR HG23 . 34480 1 1047 . 1 . 1 92 92 THR C C 13 176.754 0.0 . 1 . . 978 . B 77 THR C . 34480 1 1048 . 1 . 1 92 92 THR CA C 13 63.547 0.005 . 1 . . 972 . B 77 THR CA . 34480 1 1049 . 1 . 1 92 92 THR CB C 13 69.706 0.043 . 1 . . 974 . B 77 THR CB . 34480 1 1050 . 1 . 1 92 92 THR CG2 C 13 23.102 0.338 . 1 . . 976 . B 77 THR CG2 . 34480 1 1051 . 1 . 1 92 92 THR N N 15 112.074 0.014 . 1 . . 970 . B 77 THR N . 34480 1 1052 . 1 . 1 93 93 ALA H H 1 8.642 0.007 . 1 . . 980 . B 78 ALA H . 34480 1 1053 . 1 . 1 93 93 ALA HA H 1 3.558 0.022 . 1 . . 982 . B 78 ALA HA . 34480 1 1054 . 1 . 1 93 93 ALA HB1 H 1 1.357 0.02 . 1 . . 984 . B 78 ALA HB1 . 34480 1 1055 . 1 . 1 93 93 ALA HB2 H 1 1.357 0.02 . 1 . . 984 . B 78 ALA HB2 . 34480 1 1056 . 1 . 1 93 93 ALA HB3 H 1 1.357 0.02 . 1 . . 984 . B 78 ALA HB3 . 34480 1 1057 . 1 . 1 93 93 ALA C C 13 181.026 . . 1 . . 985 . B 78 ALA C . 34480 1 1058 . 1 . 1 93 93 ALA CA C 13 55.370 0.018 . 1 . . 981 . B 78 ALA CA . 34480 1 1059 . 1 . 1 93 93 ALA CB C 13 18.541 0.061 . 1 . . 983 . B 78 ALA CB . 34480 1 1060 . 1 . 1 93 93 ALA N N 15 124.967 0.015 . 1 . . 979 . B 78 ALA N . 34480 1 1061 . 1 . 1 94 94 GLY H H 1 7.973 0.012 . 1 . . 987 . B 79 GLY H . 34480 1 1062 . 1 . 1 94 94 GLY HA2 H 1 3.954 0.017 . 2 . . 990 . B 79 GLY HA2 . 34480 1 1063 . 1 . 1 94 94 GLY HA3 H 1 3.955 0.013 . 2 . . 989 . B 79 GLY HA3 . 34480 1 1064 . 1 . 1 94 94 GLY C C 13 176.552 0.0 . 1 . . 991 . B 79 GLY C . 34480 1 1065 . 1 . 1 94 94 GLY CA C 13 47.764 0.038 . 1 . . 988 . B 79 GLY CA . 34480 1 1066 . 1 . 1 94 94 GLY N N 15 105.851 0.0 . 1 . . 986 . B 79 GLY N . 34480 1 1067 . 1 . 1 95 95 THR H H 1 7.636 0.022 . 1 . . 993 . B 80 THR H . 34480 1 1068 . 1 . 1 95 95 THR HA H 1 3.893 0.033 . 1 . . 995 . B 80 THR HA . 34480 1 1069 . 1 . 1 95 95 THR HB H 1 3.928 0.017 . 1 . . 997 . B 80 THR HB . 34480 1 1070 . 1 . 1 95 95 THR HG21 H 1 0.728 0.017 . 1 . . 999 . B 80 THR HG21 . 34480 1 1071 . 1 . 1 95 95 THR HG22 H 1 0.728 0.017 . 1 . . 999 . B 80 THR HG22 . 34480 1 1072 . 1 . 1 95 95 THR HG23 H 1 0.728 0.017 . 1 . . 999 . B 80 THR HG23 . 34480 1 1073 . 1 . 1 95 95 THR C C 13 176.930 0.0 . 1 . . 1000 . B 80 THR C . 34480 1 1074 . 1 . 1 95 95 THR CA C 13 65.789 0.034 . 1 . . 994 . B 80 THR CA . 34480 1 1075 . 1 . 1 95 95 THR CB C 13 68.690 0.01 . 1 . . 996 . B 80 THR CB . 34480 1 1076 . 1 . 1 95 95 THR CG2 C 13 21.368 0.363 . 1 . . 998 . B 80 THR CG2 . 34480 1 1077 . 1 . 1 95 95 THR N N 15 118.416 0.023 . 1 . . 992 . B 80 THR N . 34480 1 1078 . 1 . 1 96 96 TRP H H 1 8.174 0.028 . 1 . . 1002 . B 81 TRP H . 34480 1 1079 . 1 . 1 96 96 TRP HA H 1 4.424 0.017 . 1 . . 1004 . B 81 TRP HA . 34480 1 1080 . 1 . 1 96 96 TRP HB2 H 1 2.737 0.018 . 2 . . 1007 . B 81 TRP HB2 . 34480 1 1081 . 1 . 1 96 96 TRP HB3 H 1 3.245 0.016 . 2 . . 1006 . B 81 TRP HB3 . 34480 1 1082 . 1 . 1 96 96 TRP HD1 H 1 7.169 0.008 . 1 . . 1009 . B 81 TRP HD1 . 34480 1 1083 . 1 . 1 96 96 TRP HE1 H 1 10.409 0.001 . 1 . . 1011 . B 81 TRP HE1 . 34480 1 1084 . 1 . 1 96 96 TRP HE3 H 1 7.579 0.031 . 1 . . 1019 . B 81 TRP HE3 . 34480 1 1085 . 1 . 1 96 96 TRP HZ2 H 1 7.523 0.032 . 1 . . 1013 . B 81 TRP HZ2 . 34480 1 1086 . 1 . 1 96 96 TRP HZ3 H 1 7.154 0.01 . 1 . . 1017 . B 81 TRP HZ3 . 34480 1 1087 . 1 . 1 96 96 TRP HH2 H 1 7.161 0.005 . 1 . . 1015 . B 81 TRP HH2 . 34480 1 1088 . 1 . 1 96 96 TRP C C 13 178.796 . . 1 . . 1020 . B 81 TRP C . 34480 1 1089 . 1 . 1 96 96 TRP CA C 13 60.766 0.042 . 1 . . 1003 . B 81 TRP CA . 34480 1 1090 . 1 . 1 96 96 TRP CB C 13 28.550 0.025 . 1 . . 1005 . B 81 TRP CB . 34480 1 1091 . 1 . 1 96 96 TRP CD1 C 13 127.150 . . 1 . . 1008 . B 81 TRP CD1 . 34480 1 1092 . 1 . 1 96 96 TRP CE3 C 13 119.807 . . 1 . . 1018 . B 81 TRP CE3 . 34480 1 1093 . 1 . 1 96 96 TRP CZ2 C 13 115.412 . . 1 . . 1012 . B 81 TRP CZ2 . 34480 1 1094 . 1 . 1 96 96 TRP CZ3 C 13 122.144 . . 1 . . 1016 . B 81 TRP CZ3 . 34480 1 1095 . 1 . 1 96 96 TRP CH2 C 13 125.315 . . 1 . . 1014 . B 81 TRP CH2 . 34480 1 1096 . 1 . 1 96 96 TRP N N 15 122.502 0.039 . 1 . . 1001 . B 81 TRP N . 34480 1 1097 . 1 . 1 96 96 TRP NE1 N 15 128.189 0.012 . 1 . . 1010 . B 81 TRP NE1 . 34480 1 1098 . 1 . 1 97 97 GLY H H 1 8.989 0.02 . 1 . . 1022 . B 82 GLY H . 34480 1 1099 . 1 . 1 97 97 GLY HA2 H 1 4.090 0.023 . 2 . . 1025 . B 82 GLY HA2 . 34480 1 1100 . 1 . 1 97 97 GLY HA3 H 1 4.425 0.025 . 2 . . 1024 . B 82 GLY HA3 . 34480 1 1101 . 1 . 1 97 97 GLY C C 13 176.890 . . 1 . . 1026 . B 82 GLY C . 34480 1 1102 . 1 . 1 97 97 GLY CA C 13 47.718 0.037 . 1 . . 1023 . B 82 GLY CA . 34480 1 1103 . 1 . 1 97 97 GLY N N 15 110.115 0.022 . 1 . . 1021 . B 82 GLY N . 34480 1 1104 . 1 . 1 98 98 ARG H H 1 7.768 0.018 . 1 . . 1028 . B 83 ARG H . 34480 1 1105 . 1 . 1 98 98 ARG HA H 1 4.263 0.03 . 1 . . 1030 . B 83 ARG HA . 34480 1 1106 . 1 . 1 98 98 ARG HB2 H 1 1.971 0.024 . 2 . . 1033 . B 83 ARG HB2 . 34480 1 1107 . 1 . 1 98 98 ARG HB3 H 1 1.963 0.03 . 2 . . 1032 . B 83 ARG HB3 . 34480 1 1108 . 1 . 1 98 98 ARG HG2 H 1 1.796 0.021 . 2 . . 1036 . B 83 ARG HG2 . 34480 1 1109 . 1 . 1 98 98 ARG HG3 H 1 1.570 0.003 . 2 . . 1035 . B 83 ARG HG3 . 34480 1 1110 . 1 . 1 98 98 ARG HD2 H 1 3.214 0.006 . 2 . . 1039 . B 83 ARG HD2 . 34480 1 1111 . 1 . 1 98 98 ARG HD3 H 1 3.212 0.003 . 2 . . 1038 . B 83 ARG HD3 . 34480 1 1112 . 1 . 1 98 98 ARG C C 13 178.850 0.0 . 1 . . 1040 . B 83 ARG C . 34480 1 1113 . 1 . 1 98 98 ARG CA C 13 59.733 0.461 . 1 . . 1029 . B 83 ARG CA . 34480 1 1114 . 1 . 1 98 98 ARG CB C 13 29.290 0.369 . 1 . . 1031 . B 83 ARG CB . 34480 1 1115 . 1 . 1 98 98 ARG CG C 13 27.265 0.341 . 1 . . 1034 . B 83 ARG CG . 34480 1 1116 . 1 . 1 98 98 ARG CD C 13 43.341 0.024 . 1 . . 1037 . B 83 ARG CD . 34480 1 1117 . 1 . 1 98 98 ARG N N 15 123.013 0.012 . 1 . . 1027 . B 83 ARG N . 34480 1 1118 . 1 . 1 99 99 SER H H 1 8.100 0.023 . 1 . . 1042 . B 84 SER H . 34480 1 1119 . 1 . 1 99 99 SER HA H 1 4.254 0.024 . 1 . . 1044 . B 84 SER HA . 34480 1 1120 . 1 . 1 99 99 SER HB2 H 1 3.916 0.028 . 2 . . 1047 . B 84 SER HB2 . 34480 1 1121 . 1 . 1 99 99 SER HB3 H 1 3.918 0.03 . 2 . . 1046 . B 84 SER HB3 . 34480 1 1122 . 1 . 1 99 99 SER CA C 13 62.431 0.088 . 1 . . 1043 . B 84 SER CA . 34480 1 1123 . 1 . 1 99 99 SER CB C 13 63.171 0.343 . 1 . . 1045 . B 84 SER CB . 34480 1 1124 . 1 . 1 99 99 SER N N 15 116.160 0.029 . 1 . . 1041 . B 84 SER N . 34480 1 1125 . 1 . 1 100 100 LEU H H 1 8.853 0.011 . 1 . . 1049 . B 85 LEU H . 34480 1 1126 . 1 . 1 100 100 LEU HA H 1 4.139 0.032 . 1 . . 1051 . B 85 LEU HA . 34480 1 1127 . 1 . 1 100 100 LEU HB2 H 1 1.954 0.034 . 2 . . 1054 . B 85 LEU HB2 . 34480 1 1128 . 1 . 1 100 100 LEU HB3 H 1 1.954 0.035 . 2 . . 1053 . B 85 LEU HB3 . 34480 1 1129 . 1 . 1 100 100 LEU HG H 1 1.787 0.024 . 1 . . 1056 . B 85 LEU HG . 34480 1 1130 . 1 . 1 100 100 LEU HD11 H 1 0.838 0.028 . 2 . . 1058 . B 85 LEU HD11 . 34480 1 1131 . 1 . 1 100 100 LEU HD12 H 1 0.838 0.028 . 2 . . 1058 . B 85 LEU HD12 . 34480 1 1132 . 1 . 1 100 100 LEU HD13 H 1 0.838 0.028 . 2 . . 1058 . B 85 LEU HD13 . 34480 1 1133 . 1 . 1 100 100 LEU HD21 H 1 0.993 0.019 . 2 . . 1060 . B 85 LEU HD21 . 34480 1 1134 . 1 . 1 100 100 LEU HD22 H 1 0.993 0.019 . 2 . . 1060 . B 85 LEU HD22 . 34480 1 1135 . 1 . 1 100 100 LEU HD23 H 1 0.993 0.019 . 2 . . 1060 . B 85 LEU HD23 . 34480 1 1136 . 1 . 1 100 100 LEU C C 13 178.309 . . 1 . . 1061 . B 85 LEU C . 34480 1 1137 . 1 . 1 100 100 LEU CA C 13 58.930 0.441 . 1 . . 1050 . B 85 LEU CA . 34480 1 1138 . 1 . 1 100 100 LEU CB C 13 42.544 0.176 . 1 . . 1052 . B 85 LEU CB . 34480 1 1139 . 1 . 1 100 100 LEU CG C 13 27.009 0.216 . 1 . . 1055 . B 85 LEU CG . 34480 1 1140 . 1 . 1 100 100 LEU CD1 C 13 25.884 . . 2 . . 1057 . B 85 LEU CD1 . 34480 1 1141 . 1 . 1 100 100 LEU CD2 C 13 24.408 . . 2 . . 1059 . B 85 LEU CD2 . 34480 1 1142 . 1 . 1 100 100 LEU N N 15 122.955 0.024 . 1 . . 1048 . B 85 LEU N . 34480 1 1143 . 1 . 1 101 101 GLY H H 1 8.344 0.013 . 1 . . 1063 . B 86 GLY H . 34480 1 1144 . 1 . 1 101 101 GLY HA2 H 1 3.663 0.02 . 2 . . 1066 . B 86 GLY HA2 . 34480 1 1145 . 1 . 1 101 101 GLY HA3 H 1 4.102 0.031 . 2 . . 1065 . B 86 GLY HA3 . 34480 1 1146 . 1 . 1 101 101 GLY C C 13 176.443 0.0 . 1 . . 1067 . B 86 GLY C . 34480 1 1147 . 1 . 1 101 101 GLY CA C 13 47.693 0.03 . 1 . . 1064 . B 86 GLY CA . 34480 1 1148 . 1 . 1 101 101 GLY N N 15 105.749 0.024 . 1 . . 1062 . B 86 GLY N . 34480 1 1149 . 1 . 1 102 102 GLU H H 1 8.638 0.007 . 1 . . 1069 . B 87 GLU H . 34480 1 1150 . 1 . 1 102 102 GLU HA H 1 4.160 0.037 . 1 . . 1071 . B 87 GLU HA . 34480 1 1151 . 1 . 1 102 102 GLU HB2 H 1 2.146 0.043 . 2 . . 1074 . B 87 GLU HB2 . 34480 1 1152 . 1 . 1 102 102 GLU HB3 H 1 2.186 0.034 . 2 . . 1073 . B 87 GLU HB3 . 34480 1 1153 . 1 . 1 102 102 GLU HG2 H 1 2.466 0.025 . 2 . . 1077 . B 87 GLU HG2 . 34480 1 1154 . 1 . 1 102 102 GLU HG3 H 1 2.319 0.039 . 2 . . 1076 . B 87 GLU HG3 . 34480 1 1155 . 1 . 1 102 102 GLU C C 13 178.742 . . 1 . . 1078 . B 87 GLU C . 34480 1 1156 . 1 . 1 102 102 GLU CA C 13 59.360 0.324 . 1 . . 1070 . B 87 GLU CA . 34480 1 1157 . 1 . 1 102 102 GLU CB C 13 29.688 0.376 . 1 . . 1072 . B 87 GLU CB . 34480 1 1158 . 1 . 1 102 102 GLU CG C 13 36.696 0.121 . 1 . . 1075 . B 87 GLU CG . 34480 1 1159 . 1 . 1 102 102 GLU N N 15 122.346 0.02 . 1 . . 1068 . B 87 GLU N . 34480 1 1160 . 1 . 1 103 103 CYS H H 1 7.806 0.026 . 1 . . 1080 . B 88 CYS H . 34480 1 1161 . 1 . 1 103 103 CYS HA H 1 4.335 0.032 . 1 . . 1082 . B 88 CYS HA . 34480 1 1162 . 1 . 1 103 103 CYS HB2 H 1 3.362 0.017 . 2 . . 1085 . B 88 CYS HB2 . 34480 1 1163 . 1 . 1 103 103 CYS HB3 H 1 3.518 0.032 . 2 . . 1084 . B 88 CYS HB3 . 34480 1 1164 . 1 . 1 103 103 CYS C C 13 177.201 0.0 . 1 . . 1086 . B 88 CYS C . 34480 1 1165 . 1 . 1 103 103 CYS CA C 13 60.401 0.077 . 1 . . 1081 . B 88 CYS CA . 34480 1 1166 . 1 . 1 103 103 CYS CB C 13 38.353 0.298 . 1 . . 1083 . B 88 CYS CB . 34480 1 1167 . 1 . 1 103 103 CYS N N 15 119.267 0.018 . 1 . . 1079 . B 88 CYS N . 34480 1 1168 . 1 . 1 104 104 ILE H H 1 8.606 0.023 . 1 . . 1088 . B 89 ILE H . 34480 1 1169 . 1 . 1 104 104 ILE HA H 1 3.586 0.032 . 1 . . 1090 . B 89 ILE HA . 34480 1 1170 . 1 . 1 104 104 ILE HB H 1 1.839 0.02 . 1 . . 1092 . B 89 ILE HB . 34480 1 1171 . 1 . 1 104 104 ILE HG12 H 1 0.688 0.015 . 2 . . 1095 . B 89 ILE HG12 . 34480 1 1172 . 1 . 1 104 104 ILE HG13 H 1 2.110 0.028 . 2 . . 1094 . B 89 ILE HG13 . 34480 1 1173 . 1 . 1 104 104 ILE HG21 H 1 0.919 0.035 . 1 . . 1099 . B 89 ILE HG21 . 34480 1 1174 . 1 . 1 104 104 ILE HG22 H 1 0.919 0.035 . 1 . . 1099 . B 89 ILE HG22 . 34480 1 1175 . 1 . 1 104 104 ILE HG23 H 1 0.919 0.035 . 1 . . 1099 . B 89 ILE HG23 . 34480 1 1176 . 1 . 1 104 104 ILE HD11 H 1 0.852 0.031 . 1 . . 1097 . B 89 ILE HD11 . 34480 1 1177 . 1 . 1 104 104 ILE HD12 H 1 0.852 0.031 . 1 . . 1097 . B 89 ILE HD12 . 34480 1 1178 . 1 . 1 104 104 ILE HD13 H 1 0.852 0.031 . 1 . . 1097 . B 89 ILE HD13 . 34480 1 1179 . 1 . 1 104 104 ILE C C 13 177.795 . . 1 . . 1100 . B 89 ILE C . 34480 1 1180 . 1 . 1 104 104 ILE CA C 13 65.625 0.274 . 1 . . 1089 . B 89 ILE CA . 34480 1 1181 . 1 . 1 104 104 ILE CB C 13 38.691 0.098 . 1 . . 1091 . B 89 ILE CB . 34480 1 1182 . 1 . 1 104 104 ILE CG1 C 13 29.959 0.347 . 1 . . 1093 . B 89 ILE CG1 . 34480 1 1183 . 1 . 1 104 104 ILE CG2 C 13 18.664 0.358 . 1 . . 1098 . B 89 ILE CG2 . 34480 1 1184 . 1 . 1 104 104 ILE CD1 C 13 17.889 0.454 . 1 . . 1096 . B 89 ILE CD1 . 34480 1 1185 . 1 . 1 104 104 ILE N N 15 123.468 0.022 . 1 . . 1087 . B 89 ILE N . 34480 1 1186 . 1 . 1 105 105 GLY H H 1 8.644 0.019 . 1 . . 1102 . B 90 GLY H . 34480 1 1187 . 1 . 1 105 105 GLY HA2 H 1 3.956 0.002 . 2 . . 1105 . B 90 GLY HA2 . 34480 1 1188 . 1 . 1 105 105 GLY HA3 H 1 4.279 0.012 . 2 . . 1104 . B 90 GLY HA3 . 34480 1 1189 . 1 . 1 105 105 GLY C C 13 176.241 . . 1 . . 1106 . B 90 GLY C . 34480 1 1190 . 1 . 1 105 105 GLY CA C 13 47.754 0.032 . 1 . . 1103 . B 90 GLY CA . 34480 1 1191 . 1 . 1 105 105 GLY N N 15 106.182 0.019 . 1 . . 1101 . B 90 GLY N . 34480 1 1192 . 1 . 1 106 106 LYS H H 1 7.992 0.013 . 1 . . 1108 . B 91 LYS H . 34480 1 1193 . 1 . 1 106 106 LYS HA H 1 4.241 0.032 . 1 . . 1110 . B 91 LYS HA . 34480 1 1194 . 1 . 1 106 106 LYS HB2 H 1 2.029 0.023 . 2 . . 1113 . B 91 LYS HB2 . 34480 1 1195 . 1 . 1 106 106 LYS HB3 H 1 2.031 0.025 . 2 . . 1112 . B 91 LYS HB3 . 34480 1 1196 . 1 . 1 106 106 LYS HG2 H 1 1.642 0.031 . 2 . . 1116 . B 91 LYS HG2 . 34480 1 1197 . 1 . 1 106 106 LYS HG3 H 1 1.505 0.019 . 2 . . 1115 . B 91 LYS HG3 . 34480 1 1198 . 1 . 1 106 106 LYS HD2 H 1 1.765 0.024 . 2 . . 1119 . B 91 LYS HD2 . 34480 1 1199 . 1 . 1 106 106 LYS HD3 H 1 1.760 0.021 . 2 . . 1118 . B 91 LYS HD3 . 34480 1 1200 . 1 . 1 106 106 LYS HE2 H 1 3.040 0.036 . 2 . . 1122 . B 91 LYS HE2 . 34480 1 1201 . 1 . 1 106 106 LYS HE3 H 1 3.031 0.04 . 2 . . 1121 . B 91 LYS HE3 . 34480 1 1202 . 1 . 1 106 106 LYS C C 13 178.471 0.0 . 1 . . 1123 . B 91 LYS C . 34480 1 1203 . 1 . 1 106 106 LYS CA C 13 59.755 0.449 . 1 . . 1109 . B 91 LYS CA . 34480 1 1204 . 1 . 1 106 106 LYS CB C 13 32.529 0.255 . 1 . . 1111 . B 91 LYS CB . 34480 1 1205 . 1 . 1 106 106 LYS CG C 13 25.133 0.286 . 1 . . 1114 . B 91 LYS CG . 34480 1 1206 . 1 . 1 106 106 LYS CD C 13 29.335 0.426 . 1 . . 1117 . B 91 LYS CD . 34480 1 1207 . 1 . 1 106 106 LYS CE C 13 42.740 . . 1 . . 1120 . B 91 LYS CE . 34480 1 1208 . 1 . 1 106 106 LYS N N 15 121.515 0.024 . 1 . . 1107 . B 91 LYS N . 34480 1 1209 . 1 . 1 107 107 ASP H H 1 8.120 0.021 . 1 . . 1125 . B 92 ASP H . 34480 1 1210 . 1 . 1 107 107 ASP HA H 1 4.412 0.021 . 1 . . 1127 . B 92 ASP HA . 34480 1 1211 . 1 . 1 107 107 ASP HB2 H 1 2.803 0.028 . 2 . . 1130 . B 92 ASP HB2 . 34480 1 1212 . 1 . 1 107 107 ASP HB3 H 1 2.802 0.027 . 2 . . 1129 . B 92 ASP HB3 . 34480 1 1213 . 1 . 1 107 107 ASP C C 13 177.363 . . 1 . . 1131 . B 92 ASP C . 34480 1 1214 . 1 . 1 107 107 ASP CA C 13 58.810 0.369 . 1 . . 1126 . B 92 ASP CA . 34480 1 1215 . 1 . 1 107 107 ASP CB C 13 43.014 0.284 . 1 . . 1128 . B 92 ASP CB . 34480 1 1216 . 1 . 1 107 107 ASP N N 15 119.938 0.012 . 1 . . 1124 . B 92 ASP N . 34480 1 1217 . 1 . 1 108 108 PHE H H 1 8.923 0.016 . 1 . . 1133 . B 93 PHE H . 34480 1 1218 . 1 . 1 108 108 PHE HA H 1 4.120 0.025 . 1 . . 1135 . B 93 PHE HA . 34480 1 1219 . 1 . 1 108 108 PHE HB2 H 1 3.370 0.028 . 1 . . 1138 . B 93 PHE HB2 . 34480 1 1220 . 1 . 1 108 108 PHE HB3 H 1 3.370 0.028 . 1 . . 1137 . B 93 PHE HB3 . 34480 1 1221 . 1 . 1 108 108 PHE HD1 H 1 7.144 0.014 . 1 . . 1141 . B 93 PHE HD1 . 34480 1 1222 . 1 . 1 108 108 PHE HD2 H 1 7.144 0.014 . 1 . . 1141 . B 93 PHE HD2 . 34480 1 1223 . 1 . 1 108 108 PHE HE1 H 1 6.935 0.032 . 1 . . 1139 . B 93 PHE HE1 . 34480 1 1224 . 1 . 1 108 108 PHE HE2 H 1 6.935 0.032 . 1 . . 1139 . B 93 PHE HE2 . 34480 1 1225 . 1 . 1 108 108 PHE C C 13 177.755 0.0 . 1 . . 1142 . B 93 PHE C . 34480 1 1226 . 1 . 1 108 108 PHE CA C 13 61.674 0.287 . 1 . . 1134 . B 93 PHE CA . 34480 1 1227 . 1 . 1 108 108 PHE CB C 13 39.987 0.117 . 1 . . 1136 . B 93 PHE CB . 34480 1 1228 . 1 . 1 108 108 PHE CD1 C 13 132.394 . . 1 . . 1140 . B 93 PHE CD1 . 34480 1 1229 . 1 . 1 108 108 PHE CD2 C 13 132.394 . . 1 . . 1140 . B 93 PHE CD2 . 34480 1 1230 . 1 . 1 108 108 PHE N N 15 117.917 0.026 . 1 . . 1132 . B 93 PHE N . 34480 1 1231 . 1 . 1 109 109 ALA H H 1 8.498 0.009 . 1 . . 1144 . B 94 ALA H . 34480 1 1232 . 1 . 1 109 109 ALA HA H 1 3.823 0.024 . 1 . . 1146 . B 94 ALA HA . 34480 1 1233 . 1 . 1 109 109 ALA HB1 H 1 1.653 0.011 . 1 . . 1148 . B 94 ALA HB1 . 34480 1 1234 . 1 . 1 109 109 ALA HB2 H 1 1.653 0.011 . 1 . . 1148 . B 94 ALA HB2 . 34480 1 1235 . 1 . 1 109 109 ALA HB3 H 1 1.653 0.011 . 1 . . 1148 . B 94 ALA HB3 . 34480 1 1236 . 1 . 1 109 109 ALA C C 13 180.121 . . 1 . . 1149 . B 94 ALA C . 34480 1 1237 . 1 . 1 109 109 ALA CA C 13 55.227 0.02 . 1 . . 1145 . B 94 ALA CA . 34480 1 1238 . 1 . 1 109 109 ALA CB C 13 18.336 0.021 . 1 . . 1147 . B 94 ALA CB . 34480 1 1239 . 1 . 1 109 109 ALA N N 15 120.634 0.125 . 1 . . 1143 . B 94 ALA N . 34480 1 1240 . 1 . 1 110 110 GLU H H 1 8.166 0.018 . 1 . . 1151 . B 95 GLU H . 34480 1 1241 . 1 . 1 110 110 GLU HA H 1 3.868 0.027 . 1 . . 1153 . B 95 GLU HA . 34480 1 1242 . 1 . 1 110 110 GLU HB2 H 1 2.068 0.033 . 2 . . 1156 . B 95 GLU HB2 . 34480 1 1243 . 1 . 1 110 110 GLU HB3 H 1 2.224 0.03 . 2 . . 1155 . B 95 GLU HB3 . 34480 1 1244 . 1 . 1 110 110 GLU HG2 H 1 2.481 0.028 . 2 . . 1159 . B 95 GLU HG2 . 34480 1 1245 . 1 . 1 110 110 GLU HG3 H 1 2.253 0.036 . 2 . . 1158 . B 95 GLU HG3 . 34480 1 1246 . 1 . 1 110 110 GLU C C 13 178.093 0.0 . 1 . . 1160 . B 95 GLU C . 34480 1 1247 . 1 . 1 110 110 GLU CA C 13 58.662 0.27 . 1 . . 1152 . B 95 GLU CA . 34480 1 1248 . 1 . 1 110 110 GLU CB C 13 29.473 0.283 . 1 . . 1154 . B 95 GLU CB . 34480 1 1249 . 1 . 1 110 110 GLU CG C 13 36.712 0.136 . 1 . . 1157 . B 95 GLU CG . 34480 1 1250 . 1 . 1 110 110 GLU N N 15 117.214 0.17 . 1 . . 1150 . B 95 GLU N . 34480 1 1251 . 1 . 1 111 111 LYS H H 1 7.606 0.015 . 1 . . 1162 . B 96 LYS H . 34480 1 1252 . 1 . 1 111 111 LYS HA H 1 3.843 0.008 . 1 . . 1164 . B 96 LYS HA . 34480 1 1253 . 1 . 1 111 111 LYS HB2 H 1 0.804 0.028 . 2 . . 1167 . B 96 LYS HB2 . 34480 1 1254 . 1 . 1 111 111 LYS HB3 H 1 1.224 0.018 . 2 . . 1166 . B 96 LYS HB3 . 34480 1 1255 . 1 . 1 111 111 LYS HG2 H 1 1.371 0.035 . 2 . . 1170 . B 96 LYS HG2 . 34480 1 1256 . 1 . 1 111 111 LYS HG3 H 1 1.055 0.049 . 2 . . 1169 . B 96 LYS HG3 . 34480 1 1257 . 1 . 1 111 111 LYS HD2 H 1 1.455 0.035 . 2 . . 1173 . B 96 LYS HD2 . 34480 1 1258 . 1 . 1 111 111 LYS HD3 H 1 1.448 0.024 . 2 . . 1172 . B 96 LYS HD3 . 34480 1 1259 . 1 . 1 111 111 LYS HE2 H 1 2.893 0.007 . 2 . . 1176 . B 96 LYS HE2 . 34480 1 1260 . 1 . 1 111 111 LYS HE3 H 1 2.891 0.006 . 2 . . 1175 . B 96 LYS HE3 . 34480 1 1261 . 1 . 1 111 111 LYS C C 13 178.458 . . 1 . . 1177 . B 96 LYS C . 34480 1 1262 . 1 . 1 111 111 LYS CA C 13 58.453 0.021 . 1 . . 1163 . B 96 LYS CA . 34480 1 1263 . 1 . 1 111 111 LYS CB C 13 33.580 0.052 . 1 . . 1165 . B 96 LYS CB . 34480 1 1264 . 1 . 1 111 111 LYS CG C 13 26.243 0.387 . 1 . . 1168 . B 96 LYS CG . 34480 1 1265 . 1 . 1 111 111 LYS CD C 13 28.739 0.31 . 1 . . 1171 . B 96 LYS CD . 34480 1 1266 . 1 . 1 111 111 LYS CE C 13 42.078 . . 1 . . 1174 . B 96 LYS CE . 34480 1 1267 . 1 . 1 111 111 LYS N N 15 116.069 0.251 . 1 . . 1161 . B 96 LYS N . 34480 1 1268 . 1 . 1 112 112 HIS H H 1 7.792 0.019 . 1 . . 1179 . B 97 HIS H . 34480 1 1269 . 1 . 1 112 112 HIS HA H 1 4.639 0.025 . 1 . . 1181 . B 97 HIS HA . 34480 1 1270 . 1 . 1 112 112 HIS HB2 H 1 1.780 0.026 . 2 . . 1184 . B 97 HIS HB2 . 34480 1 1271 . 1 . 1 112 112 HIS HB3 H 1 2.471 0.031 . 2 . . 1183 . B 97 HIS HB3 . 34480 1 1272 . 1 . 1 112 112 HIS HD2 H 1 6.913 0.026 . 1 . . 1186 . B 97 HIS HD2 . 34480 1 1273 . 1 . 1 112 112 HIS C C 13 175.984 0.0 . 1 . . 1187 . B 97 HIS C . 34480 1 1274 . 1 . 1 112 112 HIS CA C 13 56.947 0.0 . 1 . . 1180 . B 97 HIS CA . 34480 1 1275 . 1 . 1 112 112 HIS CB C 13 32.908 0.015 . 1 . . 1182 . B 97 HIS CB . 34480 1 1276 . 1 . 1 112 112 HIS CD2 C 13 119.920 . . 1 . . 1185 . B 97 HIS CD2 . 34480 1 1277 . 1 . 1 112 112 HIS N N 15 111.877 0.02 . 1 . . 1178 . B 97 HIS N . 34480 1 1278 . 1 . 1 113 113 LEU H H 1 7.769 0.015 . 1 . . 1189 . B 98 LEU H . 34480 1 1279 . 1 . 1 113 113 LEU HA H 1 4.603 0.007 . 1 . . 1191 . B 98 LEU HA . 34480 1 1280 . 1 . 1 113 113 LEU HB2 H 1 1.558 0.012 . 2 . . 1194 . B 98 LEU HB2 . 34480 1 1281 . 1 . 1 113 113 LEU HB3 H 1 1.898 0.033 . 2 . . 1193 . B 98 LEU HB3 . 34480 1 1282 . 1 . 1 113 113 LEU HG H 1 1.413 0.032 . 1 . . 1196 . B 98 LEU HG . 34480 1 1283 . 1 . 1 113 113 LEU HD11 H 1 0.820 0.026 . 2 . . 1198 . B 98 LEU HD11 . 34480 1 1284 . 1 . 1 113 113 LEU HD12 H 1 0.820 0.026 . 2 . . 1198 . B 98 LEU HD12 . 34480 1 1285 . 1 . 1 113 113 LEU HD13 H 1 0.820 0.026 . 2 . . 1198 . B 98 LEU HD13 . 34480 1 1286 . 1 . 1 113 113 LEU HD21 H 1 0.667 0.009 . 2 . . 1200 . B 98 LEU HD21 . 34480 1 1287 . 1 . 1 113 113 LEU HD22 H 1 0.667 0.009 . 2 . . 1200 . B 98 LEU HD22 . 34480 1 1288 . 1 . 1 113 113 LEU HD23 H 1 0.667 0.009 . 2 . . 1200 . B 98 LEU HD23 . 34480 1 1289 . 1 . 1 113 113 LEU C C 13 176.308 0.0 . 1 . . 1201 . B 98 LEU C . 34480 1 1290 . 1 . 1 113 113 LEU CA C 13 54.571 . . 1 . . 1190 . B 98 LEU CA . 34480 1 1291 . 1 . 1 113 113 LEU CB C 13 42.570 0.325 . 1 . . 1192 . B 98 LEU CB . 34480 1 1292 . 1 . 1 113 113 LEU CG C 13 26.650 0.444 . 1 . . 1195 . B 98 LEU CG . 34480 1 1293 . 1 . 1 113 113 LEU CD1 C 13 23.712 . . 2 . . 1197 . B 98 LEU CD1 . 34480 1 1294 . 1 . 1 113 113 LEU CD2 C 13 23.260 . . 2 . . 1199 . B 98 LEU CD2 . 34480 1 1295 . 1 . 1 113 113 LEU N N 15 116.503 0.023 . 1 . . 1188 . B 98 LEU N . 34480 1 1296 . 1 . 1 114 114 ILE H H 1 7.476 0.014 . 1 . . 1203 . B 99 ILE H . 34480 1 1297 . 1 . 1 114 114 ILE HA H 1 4.389 0.032 . 1 . . 1205 . B 99 ILE HA . 34480 1 1298 . 1 . 1 114 114 ILE HB H 1 1.812 0.033 . 1 . . 1207 . B 99 ILE HB . 34480 1 1299 . 1 . 1 114 114 ILE HG12 H 1 1.410 0.029 . 2 . . 1210 . B 99 ILE HG12 . 34480 1 1300 . 1 . 1 114 114 ILE HG13 H 1 1.094 0.031 . 2 . . 1209 . B 99 ILE HG13 . 34480 1 1301 . 1 . 1 114 114 ILE HG21 H 1 0.915 0.027 . 1 . . 1214 . B 99 ILE HG21 . 34480 1 1302 . 1 . 1 114 114 ILE HG22 H 1 0.915 0.027 . 1 . . 1214 . B 99 ILE HG22 . 34480 1 1303 . 1 . 1 114 114 ILE HG23 H 1 0.915 0.027 . 1 . . 1214 . B 99 ILE HG23 . 34480 1 1304 . 1 . 1 114 114 ILE HD11 H 1 0.819 0.015 . 1 . . 1212 . B 99 ILE HD11 . 34480 1 1305 . 1 . 1 114 114 ILE HD12 H 1 0.819 0.015 . 1 . . 1212 . B 99 ILE HD12 . 34480 1 1306 . 1 . 1 114 114 ILE HD13 H 1 0.819 0.015 . 1 . . 1212 . B 99 ILE HD13 . 34480 1 1307 . 1 . 1 114 114 ILE C C 13 174.186 0.0 . 1 . . 1215 . B 99 ILE C . 34480 1 1308 . 1 . 1 114 114 ILE CA C 13 59.002 0.273 . 1 . . 1204 . B 99 ILE CA . 34480 1 1309 . 1 . 1 114 114 ILE CB C 13 38.546 0.008 . 1 . . 1206 . B 99 ILE CB . 34480 1 1310 . 1 . 1 114 114 ILE CG1 C 13 27.012 0.078 . 1 . . 1208 . B 99 ILE CG1 . 34480 1 1311 . 1 . 1 114 114 ILE CG2 C 13 17.512 0.412 . 1 . . 1213 . B 99 ILE CG2 . 34480 1 1312 . 1 . 1 114 114 ILE CD1 C 13 12.737 . . 1 . . 1211 . B 99 ILE CD1 . 34480 1 1313 . 1 . 1 114 114 ILE N N 15 120.299 0.046 . 1 . . 1202 . B 99 ILE N . 34480 1 1314 . 1 . 1 115 115 PRO HA H 1 4.355 0.016 . 1 . . 1217 . B 100 PRO HA . 34480 1 1315 . 1 . 1 115 115 PRO HB2 H 1 1.915 0.009 . 2 . . 1220 . B 100 PRO HB2 . 34480 1 1316 . 1 . 1 115 115 PRO HB3 H 1 2.231 0.036 . 2 . . 1219 . B 100 PRO HB3 . 34480 1 1317 . 1 . 1 115 115 PRO HG2 H 1 2.044 0.018 . 2 . . 1223 . B 100 PRO HG2 . 34480 1 1318 . 1 . 1 115 115 PRO HG3 H 1 2.047 0.02 . 2 . . 1222 . B 100 PRO HG3 . 34480 1 1319 . 1 . 1 115 115 PRO HD2 H 1 3.855 0.028 . 2 . . 1226 . B 100 PRO HD2 . 34480 1 1320 . 1 . 1 115 115 PRO HD3 H 1 3.621 0.015 . 2 . . 1225 . B 100 PRO HD3 . 34480 1 1321 . 1 . 1 115 115 PRO C C 13 175.808 . . 1 . . 1227 . B 100 PRO C . 34480 1 1322 . 1 . 1 115 115 PRO CA C 13 63.559 0.035 . 1 . . 1216 . B 100 PRO CA . 34480 1 1323 . 1 . 1 115 115 PRO CB C 13 31.695 0.327 . 1 . . 1218 . B 100 PRO CB . 34480 1 1324 . 1 . 1 115 115 PRO CG C 13 27.294 0.205 . 1 . . 1221 . B 100 PRO CG . 34480 1 1325 . 1 . 1 115 115 PRO CD C 13 50.946 0.312 . 1 . . 1224 . B 100 PRO CD . 34480 1 1326 . 1 . 1 116 116 LYS H H 1 7.852 0.031 . 1 . . 1229 . B 101 LYS H . 34480 1 1327 . 1 . 1 116 116 LYS HA H 1 4.145 0.018 . 1 . . 1231 . B 101 LYS HA . 34480 1 1328 . 1 . 1 116 116 LYS HB2 H 1 1.678 0.027 . 2 . . 1234 . B 101 LYS HB2 . 34480 1 1329 . 1 . 1 116 116 LYS HB3 H 1 1.823 0.0 . 2 . . 1233 . B 101 LYS HB3 . 34480 1 1330 . 1 . 1 116 116 LYS HG2 H 1 1.401 0.025 . 2 . . 1237 . B 101 LYS HG2 . 34480 1 1331 . 1 . 1 116 116 LYS HG3 H 1 1.402 0.026 . 2 . . 1236 . B 101 LYS HG3 . 34480 1 1332 . 1 . 1 116 116 LYS HD2 H 1 1.644 0.015 . 2 . . 1240 . B 101 LYS HD2 . 34480 1 1333 . 1 . 1 116 116 LYS HD3 H 1 1.659 0.037 . 2 . . 1239 . B 101 LYS HD3 . 34480 1 1334 . 1 . 1 116 116 LYS HE2 H 1 3.121 0.034 . 2 . . 1243 . B 101 LYS HE2 . 34480 1 1335 . 1 . 1 116 116 LYS HE3 H 1 3.112 0.03 . 2 . . 1242 . B 101 LYS HE3 . 34480 1 1336 . 1 . 1 116 116 LYS C C 13 181.513 . . 1 . . 1244 . B 101 LYS C . 34480 1 1337 . 1 . 1 116 116 LYS CA C 13 57.471 0.024 . 1 . . 1230 . B 101 LYS CA . 34480 1 1338 . 1 . 1 116 116 LYS CB C 13 34.005 0.051 . 1 . . 1232 . B 101 LYS CB . 34480 1 1339 . 1 . 1 116 116 LYS CG C 13 26.025 0.103 . 1 . . 1235 . B 101 LYS CG . 34480 1 1340 . 1 . 1 116 116 LYS CD C 13 28.899 0.227 . 1 . . 1238 . B 101 LYS CD . 34480 1 1341 . 1 . 1 116 116 LYS CE C 13 42.806 0.178 . 1 . . 1241 . B 101 LYS CE . 34480 1 1342 . 1 . 1 116 116 LYS N N 15 127.128 0.005 . 1 . . 1228 . B 101 LYS N . 34480 1 stop_ save_