data_34708 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34708 _Entry.Title ; Structure in solution of the TANGO1 cargo-binding domain (21-131) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-07 _Entry.Accession_date 2022-02-07 _Entry.Last_release_date 2022-02-22 _Entry.Original_release_date 2022-02-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 O. Arnolds O. . . . 34708 2 R. Stoll R. . . . 34708 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ER . 34708 MIA3 . 34708 'MOTH domain' . 34708 'PROTEIN TRANSPORT' . 34708 TANGO1 . 34708 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34708 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 34708 '15N chemical shifts' 107 34708 '1H chemical shifts' 733 34708 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 3 . . 2023-05-07 2023-03-07 update BMRB 'update entry citation' 34708 2 . . 2023-04-19 2022-02-07 update author 'update entry citation' 34708 1 . . 2023-02-14 2022-02-07 original author 'original release' 34708 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7R3M 'BMRB Entry Tracking System' 34708 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34708 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37080980 _Citation.DOI 10.1038/s41467-023-37705-4 _Citation.Full_citation . _Citation.Title ; Characterization of a fold in TANGO1 evolved from SH3 domains for the export of bulky cargos ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2273 _Citation.Page_last 2273 _Citation.Year 2023 _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 O. Arnolds O. . . . 34708 1 2 R. Stoll R. . . . 34708 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34708 _Assembly.ID 1 _Assembly.Name 'Transport and Golgi organization protein 1 homolog' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34708 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 19 19 SG . 1 . 1 CYS 24 24 SG . . . . . . . . . . . . 34708 1 2 disulfide single . 1 . 1 CYS 42 42 SG . 1 . 1 CYS 105 105 SG . . . . . . . . . . . . 34708 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34708 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPGQLDPSTGRRFSEHKLCA DDECSMLMYRGEALEDFTGP DCRFVNFKKGDPVYVYYKLA RGWPEVWAGSVGRTFGYFPK DLIQVVHEYTKEELQVPTDE TDFVCFDGGRDD ; _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 112 _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 12890.382 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C219-reactive peptide' common 34708 1 D320 common 34708 1 'Melanoma inhibitory activity protein 3' common 34708 1 TANGO1 common 34708 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 20 MET . 34708 1 2 21 PRO . 34708 1 3 22 GLY . 34708 1 4 23 GLN . 34708 1 5 24 LEU . 34708 1 6 25 ASP . 34708 1 7 26 PRO . 34708 1 8 27 SER . 34708 1 9 28 THR . 34708 1 10 29 GLY . 34708 1 11 30 ARG . 34708 1 12 31 ARG . 34708 1 13 32 PHE . 34708 1 14 33 SER . 34708 1 15 34 GLU . 34708 1 16 35 HIS . 34708 1 17 36 LYS . 34708 1 18 37 LEU . 34708 1 19 38 CYS . 34708 1 20 39 ALA . 34708 1 21 40 ASP . 34708 1 22 41 ASP . 34708 1 23 42 GLU . 34708 1 24 43 CYS . 34708 1 25 44 SER . 34708 1 26 45 MET . 34708 1 27 46 LEU . 34708 1 28 47 MET . 34708 1 29 48 TYR . 34708 1 30 49 ARG . 34708 1 31 50 GLY . 34708 1 32 51 GLU . 34708 1 33 52 ALA . 34708 1 34 53 LEU . 34708 1 35 54 GLU . 34708 1 36 55 ASP . 34708 1 37 56 PHE . 34708 1 38 57 THR . 34708 1 39 58 GLY . 34708 1 40 59 PRO . 34708 1 41 60 ASP . 34708 1 42 61 CYS . 34708 1 43 62 ARG . 34708 1 44 63 PHE . 34708 1 45 64 VAL . 34708 1 46 65 ASN . 34708 1 47 66 PHE . 34708 1 48 67 LYS . 34708 1 49 68 LYS . 34708 1 50 69 GLY . 34708 1 51 70 ASP . 34708 1 52 71 PRO . 34708 1 53 72 VAL . 34708 1 54 73 TYR . 34708 1 55 74 VAL . 34708 1 56 75 TYR . 34708 1 57 76 TYR . 34708 1 58 77 LYS . 34708 1 59 78 LEU . 34708 1 60 79 ALA . 34708 1 61 80 ARG . 34708 1 62 81 GLY . 34708 1 63 82 TRP . 34708 1 64 83 PRO . 34708 1 65 84 GLU . 34708 1 66 85 VAL . 34708 1 67 86 TRP . 34708 1 68 87 ALA . 34708 1 69 88 GLY . 34708 1 70 89 SER . 34708 1 71 90 VAL . 34708 1 72 91 GLY . 34708 1 73 92 ARG . 34708 1 74 93 THR . 34708 1 75 94 PHE . 34708 1 76 95 GLY . 34708 1 77 96 TYR . 34708 1 78 97 PHE . 34708 1 79 98 PRO . 34708 1 80 99 LYS . 34708 1 81 100 ASP . 34708 1 82 101 LEU . 34708 1 83 102 ILE . 34708 1 84 103 GLN . 34708 1 85 104 VAL . 34708 1 86 105 VAL . 34708 1 87 106 HIS . 34708 1 88 107 GLU . 34708 1 89 108 TYR . 34708 1 90 109 THR . 34708 1 91 110 LYS . 34708 1 92 111 GLU . 34708 1 93 112 GLU . 34708 1 94 113 LEU . 34708 1 95 114 GLN . 34708 1 96 115 VAL . 34708 1 97 116 PRO . 34708 1 98 117 THR . 34708 1 99 118 ASP . 34708 1 100 119 GLU . 34708 1 101 120 THR . 34708 1 102 121 ASP . 34708 1 103 122 PHE . 34708 1 104 123 VAL . 34708 1 105 124 CYS . 34708 1 106 125 PHE . 34708 1 107 126 ASP . 34708 1 108 127 GLY . 34708 1 109 128 GLY . 34708 1 110 129 ARG . 34708 1 111 130 ASP . 34708 1 112 131 ASP . 34708 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 34708 1 . PRO 2 2 34708 1 . GLY 3 3 34708 1 . GLN 4 4 34708 1 . LEU 5 5 34708 1 . ASP 6 6 34708 1 . PRO 7 7 34708 1 . SER 8 8 34708 1 . THR 9 9 34708 1 . GLY 10 10 34708 1 . ARG 11 11 34708 1 . ARG 12 12 34708 1 . PHE 13 13 34708 1 . SER 14 14 34708 1 . GLU 15 15 34708 1 . HIS 16 16 34708 1 . LYS 17 17 34708 1 . LEU 18 18 34708 1 . CYS 19 19 34708 1 . ALA 20 20 34708 1 . ASP 21 21 34708 1 . ASP 22 22 34708 1 . GLU 23 23 34708 1 . CYS 24 24 34708 1 . SER 25 25 34708 1 . MET 26 26 34708 1 . LEU 27 27 34708 1 . MET 28 28 34708 1 . TYR 29 29 34708 1 . ARG 30 30 34708 1 . GLY 31 31 34708 1 . GLU 32 32 34708 1 . ALA 33 33 34708 1 . LEU 34 34 34708 1 . GLU 35 35 34708 1 . ASP 36 36 34708 1 . PHE 37 37 34708 1 . THR 38 38 34708 1 . GLY 39 39 34708 1 . PRO 40 40 34708 1 . ASP 41 41 34708 1 . CYS 42 42 34708 1 . ARG 43 43 34708 1 . PHE 44 44 34708 1 . VAL 45 45 34708 1 . ASN 46 46 34708 1 . PHE 47 47 34708 1 . LYS 48 48 34708 1 . LYS 49 49 34708 1 . GLY 50 50 34708 1 . ASP 51 51 34708 1 . PRO 52 52 34708 1 . VAL 53 53 34708 1 . TYR 54 54 34708 1 . VAL 55 55 34708 1 . TYR 56 56 34708 1 . TYR 57 57 34708 1 . LYS 58 58 34708 1 . LEU 59 59 34708 1 . ALA 60 60 34708 1 . ARG 61 61 34708 1 . GLY 62 62 34708 1 . TRP 63 63 34708 1 . PRO 64 64 34708 1 . GLU 65 65 34708 1 . VAL 66 66 34708 1 . TRP 67 67 34708 1 . ALA 68 68 34708 1 . GLY 69 69 34708 1 . SER 70 70 34708 1 . VAL 71 71 34708 1 . GLY 72 72 34708 1 . ARG 73 73 34708 1 . THR 74 74 34708 1 . PHE 75 75 34708 1 . GLY 76 76 34708 1 . TYR 77 77 34708 1 . PHE 78 78 34708 1 . PRO 79 79 34708 1 . LYS 80 80 34708 1 . ASP 81 81 34708 1 . LEU 82 82 34708 1 . ILE 83 83 34708 1 . GLN 84 84 34708 1 . VAL 85 85 34708 1 . VAL 86 86 34708 1 . HIS 87 87 34708 1 . GLU 88 88 34708 1 . TYR 89 89 34708 1 . THR 90 90 34708 1 . LYS 91 91 34708 1 . GLU 92 92 34708 1 . GLU 93 93 34708 1 . LEU 94 94 34708 1 . GLN 95 95 34708 1 . VAL 96 96 34708 1 . PRO 97 97 34708 1 . THR 98 98 34708 1 . ASP 99 99 34708 1 . GLU 100 100 34708 1 . THR 101 101 34708 1 . ASP 102 102 34708 1 . PHE 103 103 34708 1 . VAL 104 104 34708 1 . CYS 105 105 34708 1 . PHE 106 106 34708 1 . ASP 107 107 34708 1 . GLY 108 108 34708 1 . GLY 109 109 34708 1 . ARG 110 110 34708 1 . ASP 111 111 34708 1 . ASP 112 112 34708 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 34708 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'MIA3, KIAA0268, TANGO, UNQ6077/PRO20088' . 34708 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 34708 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34708 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34708 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] TANGO1(21-131), 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 TANGO1(21-131) '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34708 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 34708 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 34708 1 4 CHAPS 'natural abundance' . . . . . . 1 . . % . . . . 34708 1 5 NaN3 'natural abundance' . . . . . . 0.02 . . '% (w/v)' . . . . 34708 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 34708 _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' 195 . mM 34708 1 pH 7.4 . pH 34708 1 pressure 1 . atm 34708 1 temperature 298 . K 34708 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34708 _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.' . . 34708 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34708 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34708 _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" . . 34708 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34708 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34708 _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 . . 34708 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34708 3 'peak picking' . 34708 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 34708 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34708 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 34708 _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 DRX600 . 600 . . . 34708 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 700 . . . 34708 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 34708 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34708 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 7 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 10 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 13 '4D 13C-1H-13C HSQCNOESYHSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 1 14 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34708 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 34708 _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 . . . . . 34708 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34708 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34708 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 34708 _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' . . . 34708 1 2 '2D 1H-15N HSQC' . . . 34708 1 3 '3D HNCO' . . . 34708 1 4 '3D HNCA' . . . 34708 1 5 '3D CBCA(CO)NH' . . . 34708 1 6 '3D HNCACB' . . . 34708 1 7 '3D H(CCO)NH' . . . 34708 1 8 '3D 1H-15N NOESY' . . . 34708 1 9 '2D 1H-13C HSQC' . . . 34708 1 10 '3D HCCH-COSY' . . . 34708 1 11 '3D HCCH-TOCSY' . . . 34708 1 12 '3D 1H-13C NOESY' . . . 34708 1 13 '4D 13C-1H-13C HSQCNOESYHSQC' . . . 34708 1 14 '3D HN(CA)CO' . . . 34708 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 1 1 MET HA H 1 4.822 0.003 . 1 . . 1256 . A 20 MET HA . 34708 1 2 . 1 . 1 1 1 MET HB2 H 1 1.910 0.001 . 2 . . 1254 . A 20 MET HB2 . 34708 1 3 . 1 . 1 1 1 MET HB3 H 1 2.039 0.0 . 2 . . 1255 . A 20 MET HB3 . 34708 1 4 . 1 . 1 1 1 MET HG2 H 1 2.585 0.002 . 2 . . 1259 . A 20 MET HG2 . 34708 1 5 . 1 . 1 1 1 MET HG3 H 1 2.504 0.001 . 2 . . 1260 . A 20 MET HG3 . 34708 1 6 . 1 . 1 1 1 MET CA C 13 53.182 0.0 . 1 . . 1257 . A 20 MET CA . 34708 1 7 . 1 . 1 1 1 MET CB C 13 32.719 0.001 . 1 . . 1253 . A 20 MET CB . 34708 1 8 . 1 . 1 1 1 MET CG C 13 32.380 0.052 . 1 . . 1258 . A 20 MET CG . 34708 1 9 . 1 . 1 2 2 PRO HA H 1 4.411 0.008 . 1 . . 1198 . A 21 PRO HA . 34708 1 10 . 1 . 1 2 2 PRO HB2 H 1 2.059 0.0 . 2 . . 1199 . A 21 PRO HB2 . 34708 1 11 . 1 . 1 2 2 PRO HB3 H 1 2.333 0.001 . 2 . . 1200 . A 21 PRO HB3 . 34708 1 12 . 1 . 1 2 2 PRO HG2 H 1 2.057 0.019 . 2 . . 1278 . A 21 PRO HG2 . 34708 1 13 . 1 . 1 2 2 PRO HG3 H 1 2.028 0.008 . 2 . . 1280 . A 21 PRO HG3 . 34708 1 14 . 1 . 1 2 2 PRO HD2 H 1 3.702 0.022 . 2 . . 1282 . A 21 PRO HD2 . 34708 1 15 . 1 . 1 2 2 PRO HD3 H 1 3.789 0.011 . 2 . . 1324 . A 21 PRO HD3 . 34708 1 16 . 1 . 1 2 2 PRO C C 13 177.496 0.004 . 1 . . 412 . A 21 PRO C . 34708 1 17 . 1 . 1 2 2 PRO CA C 13 63.660 0.066 . 1 . . 410 . A 21 PRO CA . 34708 1 18 . 1 . 1 2 2 PRO CB C 13 31.991 0.004 . 1 . . 409 . A 21 PRO CB . 34708 1 19 . 1 . 1 2 2 PRO CG C 13 27.376 0.017 . 1 . . 1279 . A 21 PRO CG . 34708 1 20 . 1 . 1 2 2 PRO CD C 13 50.921 0.019 . 1 . . 1281 . A 21 PRO CD . 34708 1 21 . 1 . 1 3 3 GLY H H 1 8.599 0.005 . 1 . . 195 . A 22 GLY H . 34708 1 22 . 1 . 1 3 3 GLY HA2 H 1 3.972 0.0 . 1 . . 1209 . A 22 GLY HA2 . 34708 1 23 . 1 . 1 3 3 GLY HA3 H 1 3.972 0.0 . 1 . . 1210 . A 22 GLY HA3 . 34708 1 24 . 1 . 1 3 3 GLY C C 13 174.124 0.01 . 1 . . 411 . A 22 GLY C . 34708 1 25 . 1 . 1 3 3 GLY CA C 13 45.419 0.027 . 1 . . 229 . A 22 GLY CA . 34708 1 26 . 1 . 1 3 3 GLY N N 15 109.845 0.052 . 1 . . 196 . A 22 GLY N . 34708 1 27 . 1 . 1 4 4 GLN H H 1 8.110 0.003 . 1 . . 134 . A 23 GLN H . 34708 1 28 . 1 . 1 4 4 GLN HA H 1 4.356 0.009 . 1 . . 605 . A 23 GLN HA . 34708 1 29 . 1 . 1 4 4 GLN HB2 H 1 2.101 0.027 . 2 . . 890 . A 23 GLN HB2 . 34708 1 30 . 1 . 1 4 4 GLN HB3 H 1 2.043 0.02 . 2 . . 889 . A 23 GLN HB3 . 34708 1 31 . 1 . 1 4 4 GLN HG2 H 1 2.338 0.009 . 2 . . 887 . A 23 GLN HG2 . 34708 1 32 . 1 . 1 4 4 GLN HG3 H 1 2.339 0.009 . 2 . . 888 . A 23 GLN HG3 . 34708 1 33 . 1 . 1 4 4 GLN HE21 H 1 6.893 0.0 . 1 . . 27 . A 23 GLN HE21 . 34708 1 34 . 1 . 1 4 4 GLN HE22 H 1 7.610 0.001 . 1 . . 111 . A 23 GLN HE22 . 34708 1 35 . 1 . 1 4 4 GLN C C 13 175.707 0.008 . 1 . . 413 . A 23 GLN C . 34708 1 36 . 1 . 1 4 4 GLN CA C 13 55.753 0.057 . 1 . . 406 . A 23 GLN CA . 34708 1 37 . 1 . 1 4 4 GLN CB C 13 29.770 0.023 . 1 . . 405 . A 23 GLN CB . 34708 1 38 . 1 . 1 4 4 GLN CG C 13 33.938 0.008 . 1 . . 886 . A 23 GLN CG . 34708 1 39 . 1 . 1 4 4 GLN N N 15 119.528 0.045 . 1 . . 135 . A 23 GLN N . 34708 1 40 . 1 . 1 4 4 GLN NE2 N 15 112.575 . . 1 . . 28 . A 23 GLN NE2 . 34708 1 41 . 1 . 1 5 5 LEU H H 1 8.326 0.01 . 1 . . 132 . A 24 LEU H . 34708 1 42 . 1 . 1 5 5 LEU HA H 1 4.339 0.007 . 1 . . 513 . A 24 LEU HA . 34708 1 43 . 1 . 1 5 5 LEU HB2 H 1 1.549 0.012 . 2 . . 598 . A 24 LEU HB2 . 34708 1 44 . 1 . 1 5 5 LEU HB3 H 1 1.594 0.01 . 2 . . 599 . A 24 LEU HB3 . 34708 1 45 . 1 . 1 5 5 LEU HG H 1 1.571 0.004 . 1 . . 1234 . A 24 LEU HG . 34708 1 46 . 1 . 1 5 5 LEU HD11 H 1 0.833 0.012 . 2 . . 601 . A 24 LEU HD11 . 34708 1 47 . 1 . 1 5 5 LEU HD12 H 1 0.833 0.012 . 2 . . 601 . A 24 LEU HD12 . 34708 1 48 . 1 . 1 5 5 LEU HD13 H 1 0.833 0.012 . 2 . . 601 . A 24 LEU HD13 . 34708 1 49 . 1 . 1 5 5 LEU HD21 H 1 0.869 0.012 . 2 . . 603 . A 24 LEU HD21 . 34708 1 50 . 1 . 1 5 5 LEU HD22 H 1 0.869 0.012 . 2 . . 603 . A 24 LEU HD22 . 34708 1 51 . 1 . 1 5 5 LEU HD23 H 1 0.869 0.012 . 2 . . 603 . A 24 LEU HD23 . 34708 1 52 . 1 . 1 5 5 LEU C C 13 176.554 0.003 . 1 . . 414 . A 24 LEU C . 34708 1 53 . 1 . 1 5 5 LEU CA C 13 55.067 0.076 . 1 . . 403 . A 24 LEU CA . 34708 1 54 . 1 . 1 5 5 LEU CB C 13 42.696 0.021 . 1 . . 404 . A 24 LEU CB . 34708 1 55 . 1 . 1 5 5 LEU CG C 13 27.303 0.066 . 1 . . 1218 . A 24 LEU CG . 34708 1 56 . 1 . 1 5 5 LEU CD1 C 13 23.808 0.019 . 2 . . 602 . A 24 LEU CD1 . 34708 1 57 . 1 . 1 5 5 LEU CD2 C 13 24.940 0.018 . 2 . . 600 . A 24 LEU CD2 . 34708 1 58 . 1 . 1 5 5 LEU N N 15 123.249 0.037 . 1 . . 133 . A 24 LEU N . 34708 1 59 . 1 . 1 6 6 ASP H H 1 8.415 0.015 . 1 . . 124 . A 25 ASP H . 34708 1 60 . 1 . 1 6 6 ASP HA H 1 4.856 0.02 . 1 . . 514 . A 25 ASP HA . 34708 1 61 . 1 . 1 6 6 ASP HB2 H 1 2.844 0.003 . 2 . . 592 . A 25 ASP HB2 . 34708 1 62 . 1 . 1 6 6 ASP HB3 H 1 2.569 0.009 . 2 . . 591 . A 25 ASP HB3 . 34708 1 63 . 1 . 1 6 6 ASP C C 13 175.199 . . 1 . . 415 . A 25 ASP C . 34708 1 64 . 1 . 1 6 6 ASP CA C 13 51.993 0.014 . 1 . . 407 . A 25 ASP CA . 34708 1 65 . 1 . 1 6 6 ASP CB C 13 41.681 0.015 . 1 . . 408 . A 25 ASP CB . 34708 1 66 . 1 . 1 6 6 ASP N N 15 123.212 0.039 . 1 . . 125 . A 25 ASP N . 34708 1 67 . 1 . 1 7 7 PRO HA H 1 4.446 0.013 . 1 . . 1067 . A 26 PRO HA . 34708 1 68 . 1 . 1 7 7 PRO HB2 H 1 2.311 0.008 . 2 . . 1068 . A 26 PRO HB2 . 34708 1 69 . 1 . 1 7 7 PRO HB3 H 1 2.034 0.01 . 2 . . 1070 . A 26 PRO HB3 . 34708 1 70 . 1 . 1 7 7 PRO HG2 H 1 2.038 0.002 . 2 . . 1235 . A 26 PRO HG2 . 34708 1 71 . 1 . 1 7 7 PRO HG3 H 1 2.038 0.002 . 2 . . 1236 . A 26 PRO HG3 . 34708 1 72 . 1 . 1 7 7 PRO HD2 H 1 3.892 0.017 . 2 . . 1064 . A 26 PRO HD2 . 34708 1 73 . 1 . 1 7 7 PRO HD3 H 1 3.899 0.018 . 2 . . 1065 . A 26 PRO HD3 . 34708 1 74 . 1 . 1 7 7 PRO C C 13 177.476 . . 1 . . 421 . A 26 PRO C . 34708 1 75 . 1 . 1 7 7 PRO CA C 13 64.036 0.037 . 1 . . 1066 . A 26 PRO CA . 34708 1 76 . 1 . 1 7 7 PRO CB C 13 32.268 0.027 . 1 . . 1069 . A 26 PRO CB . 34708 1 77 . 1 . 1 7 7 PRO CG C 13 27.403 0.057 . 1 . . 1071 . A 26 PRO CG . 34708 1 78 . 1 . 1 7 7 PRO CD C 13 51.103 0.007 . 1 . . 1062 . A 26 PRO CD . 34708 1 79 . 1 . 1 8 8 SER H H 1 8.575 0.003 . 1 . . 205 . A 27 SER H . 34708 1 80 . 1 . 1 8 8 SER HA H 1 4.417 0.017 . 1 . . 1051 . A 27 SER HA . 34708 1 81 . 1 . 1 8 8 SER HB2 H 1 3.957 0.016 . 2 . . 1054 . A 27 SER HB2 . 34708 1 82 . 1 . 1 8 8 SER HB3 H 1 3.931 0.012 . 2 . . 1055 . A 27 SER HB3 . 34708 1 83 . 1 . 1 8 8 SER C C 13 175.350 0.005 . 1 . . 420 . A 27 SER C . 34708 1 84 . 1 . 1 8 8 SER CA C 13 59.767 0.05 . 1 . . 1052 . A 27 SER CA . 34708 1 85 . 1 . 1 8 8 SER CB C 13 63.775 0.061 . 1 . . 1053 . A 27 SER CB . 34708 1 86 . 1 . 1 8 8 SER N N 15 115.407 0.088 . 1 . . 206 . A 27 SER N . 34708 1 87 . 1 . 1 9 9 THR H H 1 7.909 0.004 . 1 . . 140 . A 28 THR H . 34708 1 88 . 1 . 1 9 9 THR HA H 1 4.334 0.024 . 1 . . 595 . A 28 THR HA . 34708 1 89 . 1 . 1 9 9 THR HB H 1 4.289 0.005 . 1 . . 594 . A 28 THR HB . 34708 1 90 . 1 . 1 9 9 THR HG21 H 1 1.241 0.005 . 1 . . 596 . A 28 THR HG21 . 34708 1 91 . 1 . 1 9 9 THR HG22 H 1 1.241 0.005 . 1 . . 596 . A 28 THR HG22 . 34708 1 92 . 1 . 1 9 9 THR HG23 H 1 1.241 0.005 . 1 . . 596 . A 28 THR HG23 . 34708 1 93 . 1 . 1 9 9 THR C C 13 175.382 . . 1 . . 422 . A 28 THR C . 34708 1 94 . 1 . 1 9 9 THR CA C 13 62.564 0.039 . 1 . . 230 . A 28 THR CA . 34708 1 95 . 1 . 1 9 9 THR CB C 13 69.803 0.036 . 1 . . 231 . A 28 THR CB . 34708 1 96 . 1 . 1 9 9 THR CG2 C 13 21.712 0.007 . 1 . . 597 . A 28 THR CG2 . 34708 1 97 . 1 . 1 9 9 THR N N 15 114.382 0.021 . 1 . . 141 . A 28 THR N . 34708 1 98 . 1 . 1 10 10 GLY H H 1 8.310 0.002 . 1 . . 136 . A 29 GLY H . 34708 1 99 . 1 . 1 10 10 GLY HA2 H 1 3.935 0.008 . 2 . . 604 . A 29 GLY HA3 . 34708 1 100 . 1 . 1 10 10 GLY HA3 H 1 3.936 0.001 . 2 . . 1212 . A 29 GLY HA3 . 34708 1 101 . 1 . 1 10 10 GLY C C 13 174.106 0.013 . 1 . . 423 . A 29 GLY C . 34708 1 102 . 1 . 1 10 10 GLY CA C 13 45.748 0.019 . 1 . . 419 . A 29 GLY CA . 34708 1 103 . 1 . 1 10 10 GLY N N 15 110.554 0.042 . 1 . . 137 . A 29 GLY N . 34708 1 104 . 1 . 1 11 11 ARG H H 1 8.154 0.005 . 1 . . 326 . A 30 ARG H . 34708 1 105 . 1 . 1 11 11 ARG HA H 1 4.234 0.003 . 1 . . 1211 . A 30 ARG HA . 34708 1 106 . 1 . 1 11 11 ARG HB2 H 1 1.877 0.0 . 2 . . 1306 . A 30 ARG HB2 . 34708 1 107 . 1 . 1 11 11 ARG HB3 H 1 1.775 0.0 . 2 . . 1307 . A 30 ARG HB3 . 34708 1 108 . 1 . 1 11 11 ARG HG2 H 1 1.655 0.012 . 2 . . 1302 . A 30 ARG HG2 . 34708 1 109 . 1 . 1 11 11 ARG HG3 H 1 1.648 0.015 . 2 . . 1308 . A 30 ARG HG3 . 34708 1 110 . 1 . 1 11 11 ARG HD3 H 1 3.216 0.007 . 1 . . 1241 . A 30 ARG HD3 . 34708 1 111 . 1 . 1 11 11 ARG C C 13 176.015 0.004 . 1 . . 491 . A 30 ARG C . 34708 1 112 . 1 . 1 11 11 ARG CA C 13 56.523 0.042 . 1 . . 488 . A 30 ARG CA . 34708 1 113 . 1 . 1 11 11 ARG CB C 13 31.308 0.037 . 1 . . 1305 . A 30 ARG CB . 34708 1 114 . 1 . 1 11 11 ARG CG C 13 27.662 0.062 . 1 . . 1303 . A 30 ARG CG . 34708 1 115 . 1 . 1 11 11 ARG CD C 13 43.391 0.011 . 1 . . 1242 . A 30 ARG CD . 34708 1 116 . 1 . 1 11 11 ARG N N 15 119.876 0.056 . 1 . . 325 . A 30 ARG N . 34708 1 117 . 1 . 1 12 12 ARG H H 1 7.997 0.003 . 1 . . 107 . A 31 ARG H . 34708 1 118 . 1 . 1 12 12 ARG HA H 1 3.247 0.001 . 1 . . 1335 . A 31 ARG HA . 34708 1 119 . 1 . 1 12 12 ARG HB2 H 1 1.476 0.002 . 2 . . 1336 . A 31 ARG HB2 . 34708 1 120 . 1 . 1 12 12 ARG HB3 H 1 1.475 0.002 . 2 . . 1337 . A 31 ARG HB3 . 34708 1 121 . 1 . 1 12 12 ARG HG2 H 1 1.311 0.001 . 2 . . 1271 . A 31 ARG HG3 . 34708 1 122 . 1 . 1 12 12 ARG HG3 H 1 1.480 0.01 . 2 . . 1338 . A 31 ARG HG3 . 34708 1 123 . 1 . 1 12 12 ARG HD3 H 1 3.074 0.005 . 1 . . 1268 . A 31 ARG HD3 . 34708 1 124 . 1 . 1 12 12 ARG C C 13 176.281 . . 1 . . 492 . A 31 ARG C . 34708 1 125 . 1 . 1 12 12 ARG CA C 13 55.343 0.019 . 1 . . 489 . A 31 ARG CA . 34708 1 126 . 1 . 1 12 12 ARG CB C 13 30.792 0.1 . 1 . . 490 . A 31 ARG CB . 34708 1 127 . 1 . 1 12 12 ARG CG C 13 27.118 0.077 . 1 . . 1272 . A 31 ARG CG . 34708 1 128 . 1 . 1 12 12 ARG CD C 13 43.629 0.032 . 1 . . 1267 . A 31 ARG CD . 34708 1 129 . 1 . 1 12 12 ARG N N 15 118.542 0.049 . 1 . . 108 . A 31 ARG N . 34708 1 130 . 1 . 1 13 13 PHE HA H 1 4.534 0.005 . 1 . . 1298 . A 32 PHE HA . 34708 1 131 . 1 . 1 13 13 PHE HB2 H 1 2.939 0.021 . 2 . . 1300 . A 32 PHE HB2 . 34708 1 132 . 1 . 1 13 13 PHE HB3 H 1 2.978 0.003 . 2 . . 1301 . A 32 PHE HB3 . 34708 1 133 . 1 . 1 13 13 PHE HD1 H 1 7.191 0.03 . 1 . . 1317 . A 32 PHE HD1 . 34708 1 134 . 1 . 1 13 13 PHE HD2 H 1 7.191 0.03 . 1 . . 1317 . A 32 PHE HD2 . 34708 1 135 . 1 . 1 13 13 PHE HE1 H 1 6.889 . . 1 . . 1163 . A 32 PHE HE1 . 34708 1 136 . 1 . 1 13 13 PHE HE2 H 1 6.889 . . 1 . . 1163 . A 32 PHE HE2 . 34708 1 137 . 1 . 1 13 13 PHE CA C 13 56.631 0.005 . 1 . . 1297 . A 32 PHE CA . 34708 1 138 . 1 . 1 13 13 PHE CB C 13 38.549 0.046 . 1 . . 1299 . A 32 PHE CB . 34708 1 139 . 1 . 1 13 13 PHE CD1 C 13 128.825 0.015 . 1 . . 1360 . A 32 PHE CD1 . 34708 1 140 . 1 . 1 13 13 PHE CD2 C 13 128.825 0.015 . 1 . . 1360 . A 32 PHE CD2 . 34708 1 141 . 1 . 1 13 13 PHE CE1 C 13 131.280 0.14 . 1 . . 1162 . A 32 PHE CE1 . 34708 1 142 . 1 . 1 13 13 PHE CE2 C 13 131.280 0.14 . 1 . . 1162 . A 32 PHE CE2 . 34708 1 143 . 1 . 1 14 14 SER HA H 1 4.623 0.003 . 1 . . 1049 . A 33 SER HA . 34708 1 144 . 1 . 1 14 14 SER HB2 H 1 4.138 0.011 . 2 . . 1047 . A 33 SER HB2 . 34708 1 145 . 1 . 1 14 14 SER HB3 H 1 3.812 0.003 . 2 . . 1048 . A 33 SER HB3 . 34708 1 146 . 1 . 1 14 14 SER CA C 13 58.422 0.006 . 1 . . 1050 . A 33 SER CA . 34708 1 147 . 1 . 1 14 14 SER CB C 13 65.613 0.057 . 1 . . 1046 . A 33 SER CB . 34708 1 148 . 1 . 1 15 15 GLU HA H 1 4.117 0.008 . 1 . . 1088 . A 34 GLU HA . 34708 1 149 . 1 . 1 15 15 GLU HB2 H 1 1.956 0.002 . 2 . . 1093 . A 34 GLU HB2 . 34708 1 150 . 1 . 1 15 15 GLU HB3 H 1 1.958 0.004 . 2 . . 1095 . A 34 GLU HB3 . 34708 1 151 . 1 . 1 15 15 GLU HG2 H 1 2.246 0.001 . 2 . . 1090 . A 34 GLU HG2 . 34708 1 152 . 1 . 1 15 15 GLU HG3 H 1 2.090 0.0 . 2 . . 1092 . A 34 GLU HG3 . 34708 1 153 . 1 . 1 15 15 GLU C C 13 176.311 . . 1 . . 462 . A 34 GLU C . 34708 1 154 . 1 . 1 15 15 GLU CA C 13 58.062 0.058 . 1 . . 1089 . A 34 GLU CA . 34708 1 155 . 1 . 1 15 15 GLU CB C 13 30.625 0.001 . 1 . . 1094 . A 34 GLU CB . 34708 1 156 . 1 . 1 15 15 GLU CG C 13 36.854 0.003 . 1 . . 1091 . A 34 GLU CG . 34708 1 157 . 1 . 1 16 16 HIS H H 1 8.136 0.006 . 1 . . 19 . A 35 HIS H . 34708 1 158 . 1 . 1 16 16 HIS HA H 1 5.384 0.01 . 1 . . 515 . A 35 HIS HA . 34708 1 159 . 1 . 1 16 16 HIS HB2 H 1 3.032 0.007 . 2 . . 607 . A 35 HIS HB2 . 34708 1 160 . 1 . 1 16 16 HIS HB3 H 1 2.770 0.01 . 2 . . 606 . A 35 HIS HB3 . 34708 1 161 . 1 . 1 16 16 HIS C C 13 173.660 0.004 . 1 . . 454 . A 35 HIS C . 34708 1 162 . 1 . 1 16 16 HIS CA C 13 56.816 0.055 . 1 . . 400 . A 35 HIS CA . 34708 1 163 . 1 . 1 16 16 HIS CB C 13 35.220 0.093 . 1 . . 399 . A 35 HIS CB . 34708 1 164 . 1 . 1 16 16 HIS N N 15 115.204 0.027 . 1 . . 20 . A 35 HIS N . 34708 1 165 . 1 . 1 17 17 LYS H H 1 9.817 0.008 . 1 . . 87 . A 36 LYS H . 34708 1 166 . 1 . 1 17 17 LYS HA H 1 5.258 0.006 . 1 . . 608 . A 36 LYS HA . 34708 1 167 . 1 . 1 17 17 LYS HB2 H 1 1.795 0.034 . 2 . . 612 . A 36 LYS HB2 . 34708 1 168 . 1 . 1 17 17 LYS HB3 H 1 1.464 0.019 . 2 . . 611 . A 36 LYS HB3 . 34708 1 169 . 1 . 1 17 17 LYS HG2 H 1 1.177 0.019 . 2 . . 610 . A 36 LYS HG2 . 34708 1 170 . 1 . 1 17 17 LYS HG3 H 1 1.178 0.019 . 2 . . 613 . A 36 LYS HG3 . 34708 1 171 . 1 . 1 17 17 LYS HD2 H 1 0.352 0.004 . 2 . . 1330 . A 36 LYS HD2 . 34708 1 172 . 1 . 1 17 17 LYS HD3 H 1 0.679 0.003 . 2 . . 1331 . A 36 LYS HD3 . 34708 1 173 . 1 . 1 17 17 LYS HE2 H 1 2.545 0.03 . 2 . . 1333 . A 36 LYS HE2 . 34708 1 174 . 1 . 1 17 17 LYS HE3 H 1 2.623 0.035 . 2 . . 1334 . A 36 LYS HE3 . 34708 1 175 . 1 . 1 17 17 LYS C C 13 173.329 0.006 . 1 . . 455 . A 36 LYS C . 34708 1 176 . 1 . 1 17 17 LYS CA C 13 53.932 0.024 . 1 . . 397 . A 36 LYS CA . 34708 1 177 . 1 . 1 17 17 LYS CB C 13 36.375 0.011 . 1 . . 398 . A 36 LYS CB . 34708 1 178 . 1 . 1 17 17 LYS CG C 13 24.623 0.013 . 1 . . 609 . A 36 LYS CG . 34708 1 179 . 1 . 1 17 17 LYS CD C 13 29.124 0.031 . 1 . . 1329 . A 36 LYS CD . 34708 1 180 . 1 . 1 17 17 LYS CE C 13 41.971 0.011 . 1 . . 1332 . A 36 LYS CE . 34708 1 181 . 1 . 1 17 17 LYS N N 15 121.497 0.025 . 1 . . 88 . A 36 LYS N . 34708 1 182 . 1 . 1 18 18 LEU H H 1 9.391 0.01 . 1 . . 77 . A 37 LEU H . 34708 1 183 . 1 . 1 18 18 LEU HA H 1 5.370 0.011 . 1 . . 614 . A 37 LEU HA . 34708 1 184 . 1 . 1 18 18 LEU HB2 H 1 1.132 0.014 . 2 . . 616 . A 37 LEU HB2 . 34708 1 185 . 1 . 1 18 18 LEU HB3 H 1 1.726 0.031 . 2 . . 615 . A 37 LEU HB3 . 34708 1 186 . 1 . 1 18 18 LEU HG H 1 1.491 0.011 . 1 . . 618 . A 37 LEU HG . 34708 1 187 . 1 . 1 18 18 LEU HD11 H 1 0.922 0.016 . 2 . . 619 . A 37 LEU HD11 . 34708 1 188 . 1 . 1 18 18 LEU HD12 H 1 0.922 0.016 . 2 . . 619 . A 37 LEU HD12 . 34708 1 189 . 1 . 1 18 18 LEU HD13 H 1 0.922 0.016 . 2 . . 619 . A 37 LEU HD13 . 34708 1 190 . 1 . 1 18 18 LEU HD21 H 1 0.858 0.014 . 2 . . 622 . A 37 LEU HD21 . 34708 1 191 . 1 . 1 18 18 LEU HD22 H 1 0.858 0.014 . 2 . . 622 . A 37 LEU HD22 . 34708 1 192 . 1 . 1 18 18 LEU HD23 H 1 0.858 0.014 . 2 . . 622 . A 37 LEU HD23 . 34708 1 193 . 1 . 1 18 18 LEU C C 13 175.714 0.011 . 1 . . 456 . A 37 LEU C . 34708 1 194 . 1 . 1 18 18 LEU CA C 13 53.240 0.034 . 1 . . 453 . A 37 LEU CA . 34708 1 195 . 1 . 1 18 18 LEU CB C 13 43.190 0.036 . 1 . . 463 . A 37 LEU CB . 34708 1 196 . 1 . 1 18 18 LEU CG C 13 27.560 0.004 . 1 . . 617 . A 37 LEU CG . 34708 1 197 . 1 . 1 18 18 LEU CD1 C 13 25.442 0.009 . 2 . . 620 . A 37 LEU CD1 . 34708 1 198 . 1 . 1 18 18 LEU CD2 C 13 23.501 0.036 . 2 . . 621 . A 37 LEU CD2 . 34708 1 199 . 1 . 1 18 18 LEU N N 15 121.641 0.046 . 1 . . 78 . A 37 LEU N . 34708 1 200 . 1 . 1 19 19 CYS H H 1 8.887 0.005 . 1 . . 99 . A 38 CYS H . 34708 1 201 . 1 . 1 19 19 CYS HA H 1 5.446 0.007 . 1 . . 623 . A 38 CYS HA . 34708 1 202 . 1 . 1 19 19 CYS HB2 H 1 4.064 0.011 . 2 . . 625 . A 38 CYS HB2 . 34708 1 203 . 1 . 1 19 19 CYS HB3 H 1 3.380 0.005 . 2 . . 624 . A 38 CYS HB3 . 34708 1 204 . 1 . 1 19 19 CYS C C 13 173.070 0.004 . 1 . . 457 . A 38 CYS C . 34708 1 205 . 1 . 1 19 19 CYS CA C 13 54.099 0.054 . 1 . . 239 . A 38 CYS CA . 34708 1 206 . 1 . 1 19 19 CYS CB C 13 48.252 0.06 . 1 . . 238 . A 38 CYS CB . 34708 1 207 . 1 . 1 19 19 CYS N N 15 118.608 0.04 . 1 . . 100 . A 38 CYS N . 34708 1 208 . 1 . 1 20 20 ALA H H 1 9.987 0.007 . 1 . . 79 . A 39 ALA H . 34708 1 209 . 1 . 1 20 20 ALA HA H 1 4.390 0.008 . 1 . . 516 . A 39 ALA HA . 34708 1 210 . 1 . 1 20 20 ALA HB1 H 1 1.350 0.015 . 1 . . 626 . A 39 ALA HB1 . 34708 1 211 . 1 . 1 20 20 ALA HB2 H 1 1.350 0.015 . 1 . . 626 . A 39 ALA HB2 . 34708 1 212 . 1 . 1 20 20 ALA HB3 H 1 1.350 0.015 . 1 . . 626 . A 39 ALA HB3 . 34708 1 213 . 1 . 1 20 20 ALA C C 13 175.823 0.003 . 1 . . 458 . A 39 ALA C . 34708 1 214 . 1 . 1 20 20 ALA CA C 13 53.074 0.081 . 1 . . 237 . A 39 ALA CA . 34708 1 215 . 1 . 1 20 20 ALA CB C 13 20.608 0.134 . 1 . . 236 . A 39 ALA CB . 34708 1 216 . 1 . 1 20 20 ALA N N 15 123.002 0.029 . 1 . . 80 . A 39 ALA N . 34708 1 217 . 1 . 1 21 21 ASP H H 1 7.818 0.007 . 1 . . 5 . A 40 ASP H . 34708 1 218 . 1 . 1 21 21 ASP HA H 1 4.681 0.017 . 1 . . 517 . A 40 ASP HA . 34708 1 219 . 1 . 1 21 21 ASP HB2 H 1 2.750 0.01 . 2 . . 627 . A 40 ASP HB2 . 34708 1 220 . 1 . 1 21 21 ASP HB3 H 1 2.751 0.01 . 2 . . 628 . A 40 ASP HB3 . 34708 1 221 . 1 . 1 21 21 ASP C C 13 175.675 0.004 . 1 . . 459 . A 40 ASP C . 34708 1 222 . 1 . 1 21 21 ASP CA C 13 51.972 0.032 . 1 . . 395 . A 40 ASP CA . 34708 1 223 . 1 . 1 21 21 ASP CB C 13 43.293 0.07 . 1 . . 396 . A 40 ASP CB . 34708 1 224 . 1 . 1 21 21 ASP N N 15 113.647 0.085 . 1 . . 6 . A 40 ASP N . 34708 1 225 . 1 . 1 22 22 ASP H H 1 8.780 0.014 . 1 . . 75 . A 41 ASP H . 34708 1 226 . 1 . 1 22 22 ASP HA H 1 4.124 0.005 . 1 . . 518 . A 41 ASP HA . 34708 1 227 . 1 . 1 22 22 ASP HB2 H 1 2.719 0.014 . 2 . . 630 . A 41 ASP HB2 . 34708 1 228 . 1 . 1 22 22 ASP HB3 H 1 2.607 0.007 . 2 . . 629 . A 41 ASP HB3 . 34708 1 229 . 1 . 1 22 22 ASP C C 13 176.389 0.009 . 1 . . 460 . A 41 ASP C . 34708 1 230 . 1 . 1 22 22 ASP CA C 13 57.189 0.083 . 1 . . 416 . A 41 ASP CA . 34708 1 231 . 1 . 1 22 22 ASP CB C 13 40.589 0.038 . 1 . . 452 . A 41 ASP CB . 34708 1 232 . 1 . 1 22 22 ASP N N 15 119.306 0.021 . 1 . . 76 . A 41 ASP N . 34708 1 233 . 1 . 1 23 23 GLU H H 1 7.346 0.006 . 1 . . 148 . A 42 GLU H . 34708 1 234 . 1 . 1 23 23 GLU HA H 1 4.305 0.004 . 1 . . 519 . A 42 GLU HA . 34708 1 235 . 1 . 1 23 23 GLU HB2 H 1 1.782 0.012 . 2 . . 1252 . A 42 GLU HB2 . 34708 1 236 . 1 . 1 23 23 GLU HB3 H 1 2.206 0.013 . 2 . . 1251 . A 42 GLU HB3 . 34708 1 237 . 1 . 1 23 23 GLU HG2 H 1 2.256 0.029 . 2 . . 1165 . A 42 GLU HG2 . 34708 1 238 . 1 . 1 23 23 GLU HG3 H 1 2.166 0.017 . 2 . . 1166 . A 42 GLU HG3 . 34708 1 239 . 1 . 1 23 23 GLU C C 13 175.365 . . 1 . . 461 . A 42 GLU C . 34708 1 240 . 1 . 1 23 23 GLU CA C 13 55.739 0.028 . 1 . . 464 . A 42 GLU CA . 34708 1 241 . 1 . 1 23 23 GLU CB C 13 29.874 0.057 . 1 . . 1250 . A 42 GLU CB . 34708 1 242 . 1 . 1 23 23 GLU CG C 13 36.770 0.093 . 1 . . 1164 . A 42 GLU CG . 34708 1 243 . 1 . 1 23 23 GLU N N 15 114.293 0.026 . 1 . . 149 . A 42 GLU N . 34708 1 244 . 1 . 1 24 24 CYS H H 1 8.351 0.008 . 1 . . 49 . A 43 CYS H . 34708 1 245 . 1 . 1 24 24 CYS HA H 1 4.610 0.01 . 1 . . 1238 . A 43 CYS HA . 34708 1 246 . 1 . 1 24 24 CYS HB2 H 1 3.363 0.002 . 2 . . 1240 . A 43 CYS HB2 . 34708 1 247 . 1 . 1 24 24 CYS HB3 H 1 3.090 0.004 . 2 . . 1239 . A 43 CYS HB3 . 34708 1 248 . 1 . 1 24 24 CYS C C 13 173.106 . . 1 . . 294 . A 43 CYS C . 34708 1 249 . 1 . 1 24 24 CYS CA C 13 58.704 0.07 . 1 . . 292 . A 43 CYS CA . 34708 1 250 . 1 . 1 24 24 CYS CB C 13 45.733 0.055 . 1 . . 291 . A 43 CYS CB . 34708 1 251 . 1 . 1 24 24 CYS N N 15 119.831 0.074 . 1 . . 50 . A 43 CYS N . 34708 1 252 . 1 . 1 25 25 SER H H 1 10.016 0.003 . 1 . . 61 . A 44 SER H . 34708 1 253 . 1 . 1 25 25 SER HA H 1 4.663 0.004 . 1 . . 631 . A 44 SER HA . 34708 1 254 . 1 . 1 25 25 SER HB2 H 1 3.540 0.003 . 2 . . 633 . A 44 SER HB2 . 34708 1 255 . 1 . 1 25 25 SER HB3 H 1 3.816 0.004 . 2 . . 632 . A 44 SER HB3 . 34708 1 256 . 1 . 1 25 25 SER C C 13 174.552 0.007 . 1 . . 293 . A 44 SER C . 34708 1 257 . 1 . 1 25 25 SER CA C 13 58.303 0.05 . 1 . . 263 . A 44 SER CA . 34708 1 258 . 1 . 1 25 25 SER CB C 13 66.792 0.056 . 1 . . 264 . A 44 SER CB . 34708 1 259 . 1 . 1 25 25 SER N N 15 113.173 0.031 . 1 . . 62 . A 44 SER N . 34708 1 260 . 1 . 1 26 26 MET H H 1 8.425 0.034 . 1 . . 171 . A 45 MET H . 34708 1 261 . 1 . 1 26 26 MET HA H 1 4.577 0.005 . 1 . . 634 . A 45 MET HA . 34708 1 262 . 1 . 1 26 26 MET HB2 H 1 1.955 0.007 . 2 . . 1215 . A 45 MET HB2 . 34708 1 263 . 1 . 1 26 26 MET HB3 H 1 1.850 0.025 . 2 . . 1214 . A 45 MET HB3 . 34708 1 264 . 1 . 1 26 26 MET HG2 H 1 2.417 0.013 . 2 . . 1216 . A 45 MET HG2 . 34708 1 265 . 1 . 1 26 26 MET HG3 H 1 2.457 0.023 . 2 . . 1217 . A 45 MET HG3 . 34708 1 266 . 1 . 1 26 26 MET HE1 H 1 2.096 0.001 . 1 . . 638 . A 45 MET HE1 . 34708 1 267 . 1 . 1 26 26 MET HE2 H 1 2.096 0.001 . 1 . . 638 . A 45 MET HE2 . 34708 1 268 . 1 . 1 26 26 MET HE3 H 1 2.096 0.001 . 1 . . 638 . A 45 MET HE3 . 34708 1 269 . 1 . 1 26 26 MET C C 13 174.812 0.008 . 1 . . 295 . A 45 MET C . 34708 1 270 . 1 . 1 26 26 MET CA C 13 54.524 0.028 . 1 . . 261 . A 45 MET CA . 34708 1 271 . 1 . 1 26 26 MET CB C 13 34.369 0.047 . 1 . . 262 . A 45 MET CB . 34708 1 272 . 1 . 1 26 26 MET CG C 13 32.582 0.015 . 1 . . 1213 . A 45 MET CG . 34708 1 273 . 1 . 1 26 26 MET CE C 13 17.473 0.035 . 1 . . 637 . A 45 MET CE . 34708 1 274 . 1 . 1 26 26 MET N N 15 124.547 0.053 . 1 . . 172 . A 45 MET N . 34708 1 275 . 1 . 1 27 27 LEU H H 1 7.746 0.012 . 1 . . 25 . A 46 LEU H . 34708 1 276 . 1 . 1 27 27 LEU HA H 1 3.188 0.004 . 1 . . 1103 . A 46 LEU HA . 34708 1 277 . 1 . 1 27 27 LEU HB2 H 1 0.853 0.023 . 2 . . 1106 . A 46 LEU HB2 . 34708 1 278 . 1 . 1 27 27 LEU HB3 H 1 0.816 0.025 . 2 . . 1105 . A 46 LEU HB3 . 34708 1 279 . 1 . 1 27 27 LEU HG H 1 1.054 0.007 . 1 . . 1108 . A 46 LEU HG . 34708 1 280 . 1 . 1 27 27 LEU HD11 H 1 0.233 0.003 . 2 . . 1099 . A 46 LEU HD11 . 34708 1 281 . 1 . 1 27 27 LEU HD12 H 1 0.233 0.003 . 2 . . 1099 . A 46 LEU HD12 . 34708 1 282 . 1 . 1 27 27 LEU HD13 H 1 0.233 0.003 . 2 . . 1099 . A 46 LEU HD13 . 34708 1 283 . 1 . 1 27 27 LEU HD21 H 1 0.436 0.002 . 2 . . 1101 . A 46 LEU HD21 . 34708 1 284 . 1 . 1 27 27 LEU HD22 H 1 0.436 0.002 . 2 . . 1101 . A 46 LEU HD22 . 34708 1 285 . 1 . 1 27 27 LEU HD23 H 1 0.436 0.002 . 2 . . 1101 . A 46 LEU HD23 . 34708 1 286 . 1 . 1 27 27 LEU C C 13 175.829 0.018 . 1 . . 296 . A 46 LEU C . 34708 1 287 . 1 . 1 27 27 LEU CA C 13 55.765 0.039 . 1 . . 1104 . A 46 LEU CA . 34708 1 288 . 1 . 1 27 27 LEU CB C 13 43.503 0.047 . 1 . . 260 . A 46 LEU CB . 34708 1 289 . 1 . 1 27 27 LEU CG C 13 26.992 0.073 . 1 . . 1107 . A 46 LEU CG . 34708 1 290 . 1 . 1 27 27 LEU CD1 C 13 25.684 0.083 . 2 . . 1100 . A 46 LEU CD1 . 34708 1 291 . 1 . 1 27 27 LEU CD2 C 13 25.102 0.042 . 2 . . 1102 . A 46 LEU CD2 . 34708 1 292 . 1 . 1 27 27 LEU N N 15 121.222 0.046 . 1 . . 26 . A 46 LEU N . 34708 1 293 . 1 . 1 28 28 MET H H 1 8.313 0.005 . 1 . . 128 . A 47 MET H . 34708 1 294 . 1 . 1 28 28 MET HA H 1 4.339 0.005 . 1 . . 520 . A 47 MET HA . 34708 1 295 . 1 . 1 28 28 MET HB2 H 1 1.071 0.024 . 2 . . 1145 . A 47 MET HB2 . 34708 1 296 . 1 . 1 28 28 MET HB3 H 1 1.085 0.022 . 2 . . 1146 . A 47 MET HB3 . 34708 1 297 . 1 . 1 28 28 MET HG2 H 1 1.566 0.022 . 2 . . 1148 . A 47 MET HG2 . 34708 1 298 . 1 . 1 28 28 MET HG3 H 1 2.419 0.021 . 2 . . 1149 . A 47 MET HG3 . 34708 1 299 . 1 . 1 28 28 MET HE1 H 1 1.731 0.015 . 1 . . 635 . A 47 MET HE1 . 34708 1 300 . 1 . 1 28 28 MET HE2 H 1 1.731 0.015 . 1 . . 635 . A 47 MET HE2 . 34708 1 301 . 1 . 1 28 28 MET HE3 H 1 1.731 0.015 . 1 . . 635 . A 47 MET HE3 . 34708 1 302 . 1 . 1 28 28 MET C C 13 176.603 0.008 . 1 . . 297 . A 47 MET C . 34708 1 303 . 1 . 1 28 28 MET CA C 13 58.085 0.051 . 1 . . 258 . A 47 MET CA . 34708 1 304 . 1 . 1 28 28 MET CB C 13 35.861 0.051 . 1 . . 259 . A 47 MET CB . 34708 1 305 . 1 . 1 28 28 MET CG C 13 32.592 0.03 . 1 . . 1147 . A 47 MET CG . 34708 1 306 . 1 . 1 28 28 MET CE C 13 17.144 0.059 . 1 . . 636 . A 47 MET CE . 34708 1 307 . 1 . 1 28 28 MET N N 15 117.972 0.026 . 1 . . 129 . A 47 MET N . 34708 1 308 . 1 . 1 29 29 TYR H H 1 7.574 0.01 . 1 . . 169 . A 48 TYR H . 34708 1 309 . 1 . 1 29 29 TYR HA H 1 5.925 0.007 . 1 . . 521 . A 48 TYR HA . 34708 1 310 . 1 . 1 29 29 TYR HB2 H 1 3.653 0.005 . 2 . . 643 . A 48 TYR HB2 . 34708 1 311 . 1 . 1 29 29 TYR HB3 H 1 2.441 0.012 . 2 . . 642 . A 48 TYR HB3 . 34708 1 312 . 1 . 1 29 29 TYR HD1 H 1 6.827 . . 1 . . 880 . A 48 TYR HD1 . 34708 1 313 . 1 . 1 29 29 TYR HD2 H 1 6.827 . . 1 . . 880 . A 48 TYR HD2 . 34708 1 314 . 1 . 1 29 29 TYR HE1 H 1 6.252 0.022 . 1 . . 1139 . A 48 TYR HE1 . 34708 1 315 . 1 . 1 29 29 TYR HE2 H 1 6.252 0.022 . 1 . . 1139 . A 48 TYR HE2 . 34708 1 316 . 1 . 1 29 29 TYR C C 13 174.999 0.001 . 1 . . 298 . A 48 TYR C . 34708 1 317 . 1 . 1 29 29 TYR CA C 13 54.080 0.054 . 1 . . 257 . A 48 TYR CA . 34708 1 318 . 1 . 1 29 29 TYR CB C 13 44.439 0.051 . 1 . . 256 . A 48 TYR CB . 34708 1 319 . 1 . 1 29 29 TYR CD1 C 13 133.903 0.038 . 1 . . 879 . A 48 TYR CD1 . 34708 1 320 . 1 . 1 29 29 TYR CD2 C 13 133.903 0.038 . 1 . . 879 . A 48 TYR CD2 . 34708 1 321 . 1 . 1 29 29 TYR CE1 C 13 118.059 0.122 . 1 . . 1140 . A 48 TYR CE1 . 34708 1 322 . 1 . 1 29 29 TYR CE2 C 13 118.059 0.122 . 1 . . 1140 . A 48 TYR CE2 . 34708 1 323 . 1 . 1 29 29 TYR N N 15 111.477 0.024 . 1 . . 170 . A 48 TYR N . 34708 1 324 . 1 . 1 30 30 ARG H H 1 9.282 0.003 . 1 . . 35 . A 49 ARG H . 34708 1 325 . 1 . 1 30 30 ARG HA H 1 5.190 0.007 . 1 . . 522 . A 49 ARG HA . 34708 1 326 . 1 . 1 30 30 ARG HB2 H 1 1.854 0.022 . 2 . . 645 . A 49 ARG HB2 . 34708 1 327 . 1 . 1 30 30 ARG HB3 H 1 2.086 0.013 . 2 . . 644 . A 49 ARG HB3 . 34708 1 328 . 1 . 1 30 30 ARG HG2 H 1 1.373 0.008 . 2 . . 650 . A 49 ARG HG2 . 34708 1 329 . 1 . 1 30 30 ARG HG3 H 1 1.083 0.018 . 2 . . 651 . A 49 ARG HG3 . 34708 1 330 . 1 . 1 30 30 ARG HD2 H 1 3.208 0.025 . 2 . . 647 . A 49 ARG HD2 . 34708 1 331 . 1 . 1 30 30 ARG HD3 H 1 3.150 0.024 . 2 . . 648 . A 49 ARG HD3 . 34708 1 332 . 1 . 1 30 30 ARG C C 13 175.324 0.007 . 1 . . 299 . A 49 ARG C . 34708 1 333 . 1 . 1 30 30 ARG CA C 13 55.757 0.044 . 1 . . 254 . A 49 ARG CA . 34708 1 334 . 1 . 1 30 30 ARG CB C 13 33.417 0.041 . 1 . . 255 . A 49 ARG CB . 34708 1 335 . 1 . 1 30 30 ARG CG C 13 29.049 0.033 . 1 . . 649 . A 49 ARG CG . 34708 1 336 . 1 . 1 30 30 ARG CD C 13 43.953 0.021 . 1 . . 646 . A 49 ARG CD . 34708 1 337 . 1 . 1 30 30 ARG N N 15 121.018 0.026 . 1 . . 36 . A 49 ARG N . 34708 1 338 . 1 . 1 31 31 GLY H H 1 9.879 0.019 . 1 . . 91 . A 50 GLY H . 34708 1 339 . 1 . 1 31 31 GLY HA2 H 1 5.419 0.006 . 2 . . 523 . A 50 GLY HA3 . 34708 1 340 . 1 . 1 31 31 GLY HA3 H 1 3.461 0.019 . 2 . . 652 . A 50 GLY HA3 . 34708 1 341 . 1 . 1 31 31 GLY C C 13 171.942 0.005 . 1 . . 300 . A 50 GLY C . 34708 1 342 . 1 . 1 31 31 GLY CA C 13 44.449 0.025 . 1 . . 253 . A 50 GLY CA . 34708 1 343 . 1 . 1 31 31 GLY N N 15 114.831 0.024 . 1 . . 92 . A 50 GLY N . 34708 1 344 . 1 . 1 32 32 GLU H H 1 8.890 0.013 . 1 . . 101 . A 51 GLU H . 34708 1 345 . 1 . 1 32 32 GLU HA H 1 4.868 0.011 . 1 . . 524 . A 51 GLU HA . 34708 1 346 . 1 . 1 32 32 GLU HB2 H 1 1.719 0.01 . 2 . . 654 . A 51 GLU HB2 . 34708 1 347 . 1 . 1 32 32 GLU HB3 H 1 1.770 0.02 . 2 . . 653 . A 51 GLU HB3 . 34708 1 348 . 1 . 1 32 32 GLU HG2 H 1 1.914 0.011 . 2 . . 657 . A 51 GLU HG2 . 34708 1 349 . 1 . 1 32 32 GLU HG3 H 1 1.932 0.019 . 2 . . 656 . A 51 GLU HG3 . 34708 1 350 . 1 . 1 32 32 GLU C C 13 175.520 0.003 . 1 . . 301 . A 51 GLU C . 34708 1 351 . 1 . 1 32 32 GLU CA C 13 54.560 0.046 . 1 . . 251 . A 51 GLU CA . 34708 1 352 . 1 . 1 32 32 GLU CB C 13 33.826 0.058 . 1 . . 252 . A 51 GLU CB . 34708 1 353 . 1 . 1 32 32 GLU CG C 13 36.834 0.012 . 1 . . 655 . A 51 GLU CG . 34708 1 354 . 1 . 1 32 32 GLU N N 15 121.373 0.023 . 1 . . 102 . A 51 GLU N . 34708 1 355 . 1 . 1 33 33 ALA H H 1 8.677 0.01 . 1 . . 15 . A 52 ALA H . 34708 1 356 . 1 . 1 33 33 ALA HA H 1 4.112 0.004 . 1 . . 525 . A 52 ALA HA . 34708 1 357 . 1 . 1 33 33 ALA HB1 H 1 1.158 0.008 . 1 . . 658 . A 52 ALA HB1 . 34708 1 358 . 1 . 1 33 33 ALA HB2 H 1 1.158 0.008 . 1 . . 658 . A 52 ALA HB2 . 34708 1 359 . 1 . 1 33 33 ALA HB3 H 1 1.158 0.008 . 1 . . 658 . A 52 ALA HB3 . 34708 1 360 . 1 . 1 33 33 ALA C C 13 179.555 0.008 . 1 . . 302 . A 52 ALA C . 34708 1 361 . 1 . 1 33 33 ALA CA C 13 53.104 0.053 . 1 . . 290 . A 52 ALA CA . 34708 1 362 . 1 . 1 33 33 ALA CB C 13 20.451 0.067 . 1 . . 289 . A 52 ALA CB . 34708 1 363 . 1 . 1 33 33 ALA N N 15 127.468 0.042 . 1 . . 16 . A 52 ALA N . 34708 1 364 . 1 . 1 34 34 LEU H H 1 9.603 0.011 . 1 . . 179 . A 53 LEU H . 34708 1 365 . 1 . 1 34 34 LEU HA H 1 4.217 0.024 . 1 . . 526 . A 53 LEU HA . 34708 1 366 . 1 . 1 34 34 LEU HB2 H 1 1.583 0.027 . 2 . . 659 . A 53 LEU HB2 . 34708 1 367 . 1 . 1 34 34 LEU HB3 H 1 1.588 0.023 . 2 . . 660 . A 53 LEU HB3 . 34708 1 368 . 1 . 1 34 34 LEU HG H 1 1.479 0.006 . 1 . . 662 . A 53 LEU HG . 34708 1 369 . 1 . 1 34 34 LEU HD11 H 1 0.754 0.002 . 2 . . 1141 . A 53 LEU HD11 . 34708 1 370 . 1 . 1 34 34 LEU HD12 H 1 0.754 0.002 . 2 . . 1141 . A 53 LEU HD12 . 34708 1 371 . 1 . 1 34 34 LEU HD13 H 1 0.754 0.002 . 2 . . 1141 . A 53 LEU HD13 . 34708 1 372 . 1 . 1 34 34 LEU HD21 H 1 0.819 0.017 . 2 . . 1219 . A 53 LEU HD21 . 34708 1 373 . 1 . 1 34 34 LEU HD22 H 1 0.819 0.017 . 2 . . 1219 . A 53 LEU HD22 . 34708 1 374 . 1 . 1 34 34 LEU HD23 H 1 0.819 0.017 . 2 . . 1219 . A 53 LEU HD23 . 34708 1 375 . 1 . 1 34 34 LEU C C 13 176.000 0.019 . 1 . . 344 . A 53 LEU C . 34708 1 376 . 1 . 1 34 34 LEU CA C 13 55.977 0.066 . 1 . . 330 . A 53 LEU CA . 34708 1 377 . 1 . 1 34 34 LEU CB C 13 43.795 0.08 . 1 . . 331 . A 53 LEU CB . 34708 1 378 . 1 . 1 34 34 LEU CG C 13 27.230 0.067 . 1 . . 661 . A 53 LEU CG . 34708 1 379 . 1 . 1 34 34 LEU CD1 C 13 25.395 0.053 . 2 . . 1142 . A 53 LEU CD1 . 34708 1 380 . 1 . 1 34 34 LEU CD2 C 13 22.484 0.003 . 2 . . 1361 . A 53 LEU CD2 . 34708 1 381 . 1 . 1 34 34 LEU N N 15 126.269 0.021 . 1 . . 180 . A 53 LEU N . 34708 1 382 . 1 . 1 35 35 GLU H H 1 7.551 0.005 . 1 . . 165 . A 54 GLU H . 34708 1 383 . 1 . 1 35 35 GLU HA H 1 4.555 0.007 . 1 . . 527 . A 54 GLU HA . 34708 1 384 . 1 . 1 35 35 GLU HB2 H 1 1.785 0.019 . 2 . . 667 . A 54 GLU HB2 . 34708 1 385 . 1 . 1 35 35 GLU HB3 H 1 1.784 0.021 . 2 . . 671 . A 54 GLU HB3 . 34708 1 386 . 1 . 1 35 35 GLU HG2 H 1 2.308 0.007 . 2 . . 669 . A 54 GLU HG2 . 34708 1 387 . 1 . 1 35 35 GLU HG3 H 1 2.345 0.03 . 2 . . 670 . A 54 GLU HG3 . 34708 1 388 . 1 . 1 35 35 GLU C C 13 173.382 0.006 . 1 . . 343 . A 54 GLU C . 34708 1 389 . 1 . 1 35 35 GLU CA C 13 53.806 0.047 . 1 . . 329 . A 54 GLU CA . 34708 1 390 . 1 . 1 35 35 GLU CB C 13 35.279 0.059 . 1 . . 334 . A 54 GLU CB . 34708 1 391 . 1 . 1 35 35 GLU CG C 13 35.593 0.017 . 1 . . 668 . A 54 GLU CG . 34708 1 392 . 1 . 1 35 35 GLU N N 15 114.216 0.033 . 1 . . 166 . A 54 GLU N . 34708 1 393 . 1 . 1 36 36 ASP H H 1 8.670 0.002 . 1 . . 89 . A 55 ASP H . 34708 1 394 . 1 . 1 36 36 ASP HA H 1 4.747 0.011 . 1 . . 528 . A 55 ASP HA . 34708 1 395 . 1 . 1 36 36 ASP HB2 H 1 2.767 0.022 . 2 . . 673 . A 55 ASP HB2 . 34708 1 396 . 1 . 1 36 36 ASP HB3 H 1 2.682 0.064 . 2 . . 672 . A 55 ASP HB3 . 34708 1 397 . 1 . 1 36 36 ASP C C 13 175.538 0.009 . 1 . . 342 . A 55 ASP C . 34708 1 398 . 1 . 1 36 36 ASP CA C 13 54.731 0.027 . 1 . . 327 . A 55 ASP CA . 34708 1 399 . 1 . 1 36 36 ASP CB C 13 41.059 0.015 . 1 . . 328 . A 55 ASP CB . 34708 1 400 . 1 . 1 36 36 ASP N N 15 118.720 0.033 . 1 . . 90 . A 55 ASP N . 34708 1 401 . 1 . 1 37 37 PHE H H 1 8.720 0.007 . 1 . . 45 . A 56 PHE H . 34708 1 402 . 1 . 1 37 37 PHE HA H 1 4.642 0.004 . 1 . . 529 . A 56 PHE HA . 34708 1 403 . 1 . 1 37 37 PHE HB2 H 1 2.590 0.012 . 2 . . 674 . A 56 PHE HB3 . 34708 1 404 . 1 . 1 37 37 PHE HB3 H 1 1.274 0.017 . 2 . . 1188 . A 56 PHE HB3 . 34708 1 405 . 1 . 1 37 37 PHE HD1 H 1 7.090 . . 1 . . 1283 . A 56 PHE HD1 . 34708 1 406 . 1 . 1 37 37 PHE HD2 H 1 7.090 . . 1 . . 1283 . A 56 PHE HD2 . 34708 1 407 . 1 . 1 37 37 PHE HE1 H 1 6.659 0.003 . 1 . . 1366 . A 56 PHE HE1 . 34708 1 408 . 1 . 1 37 37 PHE HE2 H 1 6.659 0.003 . 1 . . 1366 . A 56 PHE HE2 . 34708 1 409 . 1 . 1 37 37 PHE C C 13 173.489 0.007 . 1 . . 341 . A 56 PHE C . 34708 1 410 . 1 . 1 37 37 PHE CA C 13 57.548 0.044 . 1 . . 332 . A 56 PHE CA . 34708 1 411 . 1 . 1 37 37 PHE CB C 13 43.649 0.057 . 1 . . 333 . A 56 PHE CB . 34708 1 412 . 1 . 1 37 37 PHE CE1 C 13 128.243 0.025 . 1 . . 1367 . A 56 PHE CE1 . 34708 1 413 . 1 . 1 37 37 PHE CE2 C 13 128.243 0.025 . 1 . . 1367 . A 56 PHE CE2 . 34708 1 414 . 1 . 1 37 37 PHE N N 15 120.878 0.033 . 1 . . 46 . A 56 PHE N . 34708 1 415 . 1 . 1 38 38 THR H H 1 7.705 0.004 . 1 . . 187 . A 57 THR H . 34708 1 416 . 1 . 1 38 38 THR HA H 1 4.169 0.005 . 1 . . 530 . A 57 THR HA . 34708 1 417 . 1 . 1 38 38 THR HB H 1 3.636 0.004 . 1 . . 675 . A 57 THR HB . 34708 1 418 . 1 . 1 38 38 THR HG21 H 1 1.010 0.017 . 1 . . 677 . A 57 THR HG21 . 34708 1 419 . 1 . 1 38 38 THR HG22 H 1 1.010 0.017 . 1 . . 677 . A 57 THR HG22 . 34708 1 420 . 1 . 1 38 38 THR HG23 H 1 1.010 0.017 . 1 . . 677 . A 57 THR HG23 . 34708 1 421 . 1 . 1 38 38 THR C C 13 173.536 0.003 . 1 . . 340 . A 57 THR C . 34708 1 422 . 1 . 1 38 38 THR CA C 13 60.097 0.056 . 1 . . 243 . A 57 THR CA . 34708 1 423 . 1 . 1 38 38 THR CB C 13 69.922 0.071 . 1 . . 244 . A 57 THR CB . 34708 1 424 . 1 . 1 38 38 THR CG2 C 13 21.320 0.036 . 1 . . 676 . A 57 THR CG2 . 34708 1 425 . 1 . 1 38 38 THR N N 15 124.558 0.03 . 1 . . 188 . A 57 THR N . 34708 1 426 . 1 . 1 39 39 GLY H H 1 8.243 0.004 . 1 . . 9 . A 58 GLY H . 34708 1 427 . 1 . 1 39 39 GLY HA2 H 1 3.267 0.011 . 2 . . 532 . A 58 GLY HA2 . 34708 1 428 . 1 . 1 39 39 GLY HA3 H 1 3.618 0.008 . 2 . . 531 . A 58 GLY HA3 . 34708 1 429 . 1 . 1 39 39 GLY C C 13 172.992 . . 1 . . 339 . A 58 GLY C . 34708 1 430 . 1 . 1 39 39 GLY CA C 13 44.782 0.064 . 1 . . 338 . A 58 GLY CA . 34708 1 431 . 1 . 1 39 39 GLY N N 15 113.503 0.034 . 1 . . 10 . A 58 GLY N . 34708 1 432 . 1 . 1 40 40 PRO HA H 1 4.343 0.004 . 1 . . 678 . A 59 PRO HA . 34708 1 433 . 1 . 1 40 40 PRO HB2 H 1 2.136 0.009 . 2 . . 680 . A 59 PRO HB2 . 34708 1 434 . 1 . 1 40 40 PRO HB3 H 1 1.952 0.012 . 2 . . 679 . A 59 PRO HB3 . 34708 1 435 . 1 . 1 40 40 PRO HG2 H 1 1.604 0.025 . 2 . . 1202 . A 59 PRO HG2 . 34708 1 436 . 1 . 1 40 40 PRO HG3 H 1 1.643 0.014 . 2 . . 1203 . A 59 PRO HG3 . 34708 1 437 . 1 . 1 40 40 PRO HD2 H 1 2.671 0.016 . 2 . . 1345 . A 59 PRO HD2 . 34708 1 438 . 1 . 1 40 40 PRO HD3 H 1 3.194 0.003 . 2 . . 1346 . A 59 PRO HD3 . 34708 1 439 . 1 . 1 40 40 PRO C C 13 176.059 0.0 . 1 . . 512 . A 59 PRO C . 34708 1 440 . 1 . 1 40 40 PRO CA C 13 64.054 0.043 . 1 . . 497 . A 59 PRO CA . 34708 1 441 . 1 . 1 40 40 PRO CB C 13 32.178 0.024 . 1 . . 496 . A 59 PRO CB . 34708 1 442 . 1 . 1 40 40 PRO CG C 13 26.696 0.001 . 1 . . 1201 . A 59 PRO CG . 34708 1 443 . 1 . 1 40 40 PRO CD C 13 49.981 0.015 . 1 . . 1343 . A 59 PRO CD . 34708 1 444 . 1 . 1 41 41 ASP H H 1 7.384 0.008 . 1 . . 144 . A 60 ASP H . 34708 1 445 . 1 . 1 41 41 ASP HA H 1 4.776 0.005 . 1 . . 533 . A 60 ASP HA . 34708 1 446 . 1 . 1 41 41 ASP HB2 H 1 3.194 0.007 . 2 . . 682 . A 60 ASP HB2 . 34708 1 447 . 1 . 1 41 41 ASP HB3 H 1 3.080 0.001 . 2 . . 681 . A 60 ASP HB3 . 34708 1 448 . 1 . 1 41 41 ASP C C 13 176.352 0.007 . 1 . . 511 . A 60 ASP C . 34708 1 449 . 1 . 1 41 41 ASP CA C 13 53.758 0.021 . 1 . . 493 . A 60 ASP CA . 34708 1 450 . 1 . 1 41 41 ASP CB C 13 42.848 0.081 . 1 . . 495 . A 60 ASP CB . 34708 1 451 . 1 . 1 41 41 ASP N N 15 112.391 0.025 . 1 . . 145 . A 60 ASP N . 34708 1 452 . 1 . 1 42 42 CYS H H 1 8.637 0.012 . 1 . . 71 . A 61 CYS H . 34708 1 453 . 1 . 1 42 42 CYS HA H 1 4.824 0.016 . 1 . . 683 . A 61 CYS HA . 34708 1 454 . 1 . 1 42 42 CYS HB2 H 1 3.194 0.002 . 2 . . 684 . A 61 CYS HB2 . 34708 1 455 . 1 . 1 42 42 CYS HB3 H 1 3.945 0.006 . 2 . . 685 . A 61 CYS HB3 . 34708 1 456 . 1 . 1 42 42 CYS C C 13 175.283 . . 1 . . 510 . A 61 CYS C . 34708 1 457 . 1 . 1 42 42 CYS CA C 13 57.254 0.091 . 1 . . 494 . A 61 CYS CA . 34708 1 458 . 1 . 1 42 42 CYS CB C 13 36.862 0.026 . 1 . . 508 . A 61 CYS CB . 34708 1 459 . 1 . 1 42 42 CYS N N 15 113.017 0.01 . 1 . . 72 . A 61 CYS N . 34708 1 460 . 1 . 1 43 43 ARG H H 1 9.507 0.002 . 1 . . 191 . A 62 ARG H . 34708 1 461 . 1 . 1 43 43 ARG HA H 1 4.477 0.015 . 1 . . 534 . A 62 ARG HA . 34708 1 462 . 1 . 1 43 43 ARG HB2 H 1 2.191 0.009 . 2 . . 1265 . A 62 ARG HB2 . 34708 1 463 . 1 . 1 43 43 ARG HB3 H 1 2.189 0.01 . 2 . . 1266 . A 62 ARG HB3 . 34708 1 464 . 1 . 1 43 43 ARG HG2 H 1 1.839 0.02 . 2 . . 1314 . A 62 ARG HG2 . 34708 1 465 . 1 . 1 43 43 ARG HG3 H 1 1.631 0.011 . 2 . . 1313 . A 62 ARG HG3 . 34708 1 466 . 1 . 1 43 43 ARG HD2 H 1 3.415 0.014 . 2 . . 1315 . A 62 ARG HD2 . 34708 1 467 . 1 . 1 43 43 ARG HD3 H 1 2.994 0.016 . 2 . . 1269 . A 62 ARG HD3 . 34708 1 468 . 1 . 1 43 43 ARG HE H 1 8.916 0.025 . 1 . . 181 . A 62 ARG HE . 34708 1 469 . 1 . 1 43 43 ARG C C 13 176.256 . . 1 . . 509 . A 62 ARG C . 34708 1 470 . 1 . 1 43 43 ARG CA C 13 58.499 0.045 . 1 . . 506 . A 62 ARG CA . 34708 1 471 . 1 . 1 43 43 ARG CB C 13 30.515 0.028 . 1 . . 507 . A 62 ARG CB . 34708 1 472 . 1 . 1 43 43 ARG CG C 13 27.711 0.002 . 1 . . 1312 . A 62 ARG CG . 34708 1 473 . 1 . 1 43 43 ARG CD C 13 43.747 0.058 . 1 . . 1270 . A 62 ARG CD . 34708 1 474 . 1 . 1 43 43 ARG N N 15 123.140 0.054 . 1 . . 192 . A 62 ARG N . 34708 1 475 . 1 . 1 43 43 ARG NE N 15 84.419 0.076 . 1 . . 182 . A 62 ARG NE . 34708 1 476 . 1 . 1 44 44 PHE H H 1 8.610 0.002 . 1 . . 167 . A 63 PHE H . 34708 1 477 . 1 . 1 44 44 PHE HA H 1 5.411 0.01 . 1 . . 535 . A 63 PHE HA . 34708 1 478 . 1 . 1 44 44 PHE HB2 H 1 3.602 0.011 . 2 . . 687 . A 63 PHE HB2 . 34708 1 479 . 1 . 1 44 44 PHE HB3 H 1 3.245 0.01 . 2 . . 686 . A 63 PHE HB3 . 34708 1 480 . 1 . 1 44 44 PHE HD1 H 1 7.644 . . 1 . . 883 . A 63 PHE HD1 . 34708 1 481 . 1 . 1 44 44 PHE HD2 H 1 7.644 . . 1 . . 883 . A 63 PHE HD2 . 34708 1 482 . 1 . 1 44 44 PHE HE1 H 1 7.342 . . 1 . . 1264 . A 63 PHE HE1 . 34708 1 483 . 1 . 1 44 44 PHE HE2 H 1 7.342 . . 1 . . 1264 . A 63 PHE HE2 . 34708 1 484 . 1 . 1 44 44 PHE C C 13 175.460 0.011 . 1 . . 505 . A 63 PHE C . 34708 1 485 . 1 . 1 44 44 PHE CA C 13 57.201 0.039 . 1 . . 473 . A 63 PHE CA . 34708 1 486 . 1 . 1 44 44 PHE CB C 13 42.302 0.039 . 1 . . 474 . A 63 PHE CB . 34708 1 487 . 1 . 1 44 44 PHE CD1 C 13 133.506 0.05 . 1 . . 882 . A 63 PHE CD1 . 34708 1 488 . 1 . 1 44 44 PHE CD2 C 13 133.506 0.05 . 1 . . 882 . A 63 PHE CD2 . 34708 1 489 . 1 . 1 44 44 PHE N N 15 116.521 0.036 . 1 . . 168 . A 63 PHE N . 34708 1 490 . 1 . 1 45 45 VAL H H 1 8.762 0.014 . 1 . . 210 . A 64 VAL H . 34708 1 491 . 1 . 1 45 45 VAL HA H 1 4.450 0.008 . 1 . . 538 . A 64 VAL HA . 34708 1 492 . 1 . 1 45 45 VAL HB H 1 1.937 0.012 . 1 . . 688 . A 64 VAL HB . 34708 1 493 . 1 . 1 45 45 VAL HG11 H 1 1.117 0.004 . 2 . . 690 . A 64 VAL HG11 . 34708 1 494 . 1 . 1 45 45 VAL HG12 H 1 1.117 0.004 . 2 . . 690 . A 64 VAL HG12 . 34708 1 495 . 1 . 1 45 45 VAL HG13 H 1 1.117 0.004 . 2 . . 690 . A 64 VAL HG13 . 34708 1 496 . 1 . 1 45 45 VAL HG21 H 1 0.960 0.009 . 2 . . 692 . A 64 VAL HG21 . 34708 1 497 . 1 . 1 45 45 VAL HG22 H 1 0.960 0.009 . 2 . . 692 . A 64 VAL HG22 . 34708 1 498 . 1 . 1 45 45 VAL HG23 H 1 0.960 0.009 . 2 . . 692 . A 64 VAL HG23 . 34708 1 499 . 1 . 1 45 45 VAL C C 13 171.433 0.007 . 1 . . 368 . A 64 VAL C . 34708 1 500 . 1 . 1 45 45 VAL CA C 13 60.048 0.014 . 1 . . 324 . A 64 VAL CA . 34708 1 501 . 1 . 1 45 45 VAL CB C 13 33.778 0.035 . 1 . . 366 . A 64 VAL CB . 34708 1 502 . 1 . 1 45 45 VAL CG1 C 13 22.088 0.024 . 2 . . 689 . A 64 VAL CG1 . 34708 1 503 . 1 . 1 45 45 VAL CG2 C 13 21.046 0.098 . 2 . . 691 . A 64 VAL CG2 . 34708 1 504 . 1 . 1 45 45 VAL N N 15 120.558 0.052 . 1 . . 211 . A 64 VAL N . 34708 1 505 . 1 . 1 46 46 ASN H H 1 7.603 0.012 . 1 . . 158 . A 65 ASN H . 34708 1 506 . 1 . 1 46 46 ASN HA H 1 5.153 0.007 . 1 . . 539 . A 65 ASN HA . 34708 1 507 . 1 . 1 46 46 ASN HB2 H 1 2.664 0.007 . 2 . . 694 . A 65 ASN HB2 . 34708 1 508 . 1 . 1 46 46 ASN HB3 H 1 2.913 0.008 . 2 . . 693 . A 65 ASN HB3 . 34708 1 509 . 1 . 1 46 46 ASN HD21 H 1 7.561 0.022 . 1 . . 29 . A 65 ASN HD21 . 34708 1 510 . 1 . 1 46 46 ASN HD22 H 1 6.926 0.008 . 1 . . 207 . A 65 ASN HD22 . 34708 1 511 . 1 . 1 46 46 ASN C C 13 175.899 0.007 . 1 . . 369 . A 65 ASN C . 34708 1 512 . 1 . 1 46 46 ASN CA C 13 51.381 0.033 . 1 . . 322 . A 65 ASN CA . 34708 1 513 . 1 . 1 46 46 ASN CB C 13 40.904 0.049 . 1 . . 323 . A 65 ASN CB . 34708 1 514 . 1 . 1 46 46 ASN N N 15 116.425 0.024 . 1 . . 159 . A 65 ASN N . 34708 1 515 . 1 . 1 46 46 ASN ND2 N 15 113.422 0.063 . 1 . . 30 . A 65 ASN ND2 . 34708 1 516 . 1 . 1 47 47 PHE H H 1 8.830 0.026 . 1 . . 7 . A 66 PHE H . 34708 1 517 . 1 . 1 47 47 PHE HA H 1 5.005 0.007 . 1 . . 540 . A 66 PHE HA . 34708 1 518 . 1 . 1 47 47 PHE HB2 H 1 3.436 0.016 . 2 . . 695 . A 66 PHE HB2 . 34708 1 519 . 1 . 1 47 47 PHE HB3 H 1 3.476 0.02 . 2 . . 696 . A 66 PHE HB3 . 34708 1 520 . 1 . 1 47 47 PHE HD1 H 1 6.917 . . 1 . . 885 . A 66 PHE HD1 . 34708 1 521 . 1 . 1 47 47 PHE HD2 H 1 6.917 . . 1 . . 885 . A 66 PHE HD2 . 34708 1 522 . 1 . 1 47 47 PHE HE1 H 1 6.936 0.009 . 1 . . 1365 . A 66 PHE HE1 . 34708 1 523 . 1 . 1 47 47 PHE HE2 H 1 6.936 0.009 . 1 . . 1365 . A 66 PHE HE2 . 34708 1 524 . 1 . 1 47 47 PHE C C 13 175.194 0.004 . 1 . . 370 . A 66 PHE C . 34708 1 525 . 1 . 1 47 47 PHE CA C 13 55.881 0.017 . 1 . . 320 . A 66 PHE CA . 34708 1 526 . 1 . 1 47 47 PHE CB C 13 41.180 0.064 . 1 . . 321 . A 66 PHE CB . 34708 1 527 . 1 . 1 47 47 PHE CD1 C 13 133.326 0.03 . 1 . . 884 . A 66 PHE CD1 . 34708 1 528 . 1 . 1 47 47 PHE CD2 C 13 133.326 0.03 . 1 . . 884 . A 66 PHE CD2 . 34708 1 529 . 1 . 1 47 47 PHE N N 15 113.518 0.035 . 1 . . 8 . A 66 PHE N . 34708 1 530 . 1 . 1 48 48 LYS H H 1 9.524 0.004 . 1 . . 63 . A 67 LYS H . 34708 1 531 . 1 . 1 48 48 LYS HA H 1 5.035 0.008 . 1 . . 541 . A 67 LYS HA . 34708 1 532 . 1 . 1 48 48 LYS HB2 H 1 1.780 0.02 . 2 . . 697 . A 67 LYS HB2 . 34708 1 533 . 1 . 1 48 48 LYS HB3 H 1 1.783 0.018 . 2 . . 698 . A 67 LYS HB3 . 34708 1 534 . 1 . 1 48 48 LYS HG2 H 1 1.452 0.005 . 2 . . 700 . A 67 LYS HG2 . 34708 1 535 . 1 . 1 48 48 LYS HG3 H 1 1.452 0.005 . 2 . . 701 . A 67 LYS HG3 . 34708 1 536 . 1 . 1 48 48 LYS HD3 H 1 1.683 . . 1 . . 1276 . A 67 LYS HD3 . 34708 1 537 . 1 . 1 48 48 LYS HE3 H 1 2.982 0.001 . 1 . . 1246 . A 67 LYS HE3 . 34708 1 538 . 1 . 1 48 48 LYS C C 13 175.611 0.006 . 1 . . 371 . A 67 LYS C . 34708 1 539 . 1 . 1 48 48 LYS CA C 13 53.229 0.034 . 1 . . 362 . A 67 LYS CA . 34708 1 540 . 1 . 1 48 48 LYS CB C 13 34.951 0.044 . 1 . . 361 . A 67 LYS CB . 34708 1 541 . 1 . 1 48 48 LYS CG C 13 24.572 0.072 . 1 . . 699 . A 67 LYS CG . 34708 1 542 . 1 . 1 48 48 LYS CD C 13 28.651 0.011 . 1 . . 1277 . A 67 LYS CD . 34708 1 543 . 1 . 1 48 48 LYS CE C 13 42.049 0.005 . 1 . . 1245 . A 67 LYS CE . 34708 1 544 . 1 . 1 48 48 LYS N N 15 122.280 0.038 . 1 . . 64 . A 67 LYS N . 34708 1 545 . 1 . 1 49 49 LYS H H 1 8.923 0.012 . 1 . . 65 . A 68 LYS H . 34708 1 546 . 1 . 1 49 49 LYS HA H 1 3.227 0.011 . 1 . . 544 . A 68 LYS HA . 34708 1 547 . 1 . 1 49 49 LYS HB2 H 1 1.702 0.007 . 2 . . 703 . A 68 LYS HB2 . 34708 1 548 . 1 . 1 49 49 LYS HB3 H 1 1.546 0.013 . 2 . . 702 . A 68 LYS HB3 . 34708 1 549 . 1 . 1 49 49 LYS HG2 H 1 1.185 0.018 . 2 . . 705 . A 68 LYS HG2 . 34708 1 550 . 1 . 1 49 49 LYS HG3 H 1 1.177 0.011 . 2 . . 706 . A 68 LYS HG3 . 34708 1 551 . 1 . 1 49 49 LYS HD2 H 1 1.704 0.003 . 1 . . 1261 . A 68 LYS HD2 . 34708 1 552 . 1 . 1 49 49 LYS HD3 H 1 1.704 0.003 . 1 . . 1262 . A 68 LYS HD3 . 34708 1 553 . 1 . 1 49 49 LYS HE2 H 1 3.026 0.001 . 2 . . 708 . A 68 LYS HE2 . 34708 1 554 . 1 . 1 49 49 LYS HE3 H 1 3.026 0.001 . 2 . . 709 . A 68 LYS HE3 . 34708 1 555 . 1 . 1 49 49 LYS C C 13 176.974 0.003 . 1 . . 372 . A 68 LYS C . 34708 1 556 . 1 . 1 49 49 LYS CA C 13 59.114 0.027 . 1 . . 363 . A 68 LYS CA . 34708 1 557 . 1 . 1 49 49 LYS CB C 13 32.837 0.025 . 1 . . 364 . A 68 LYS CB . 34708 1 558 . 1 . 1 49 49 LYS CG C 13 24.542 0.023 . 1 . . 704 . A 68 LYS CG . 34708 1 559 . 1 . 1 49 49 LYS CD C 13 29.690 0.006 . 1 . . 1220 . A 68 LYS CD . 34708 1 560 . 1 . 1 49 49 LYS CE C 13 41.924 0.025 . 1 . . 707 . A 68 LYS CE . 34708 1 561 . 1 . 1 49 49 LYS N N 15 120.653 0.029 . 1 . . 66 . A 68 LYS N . 34708 1 562 . 1 . 1 50 50 GLY H H 1 8.880 0.008 . 1 . . 193 . A 69 GLY H . 34708 1 563 . 1 . 1 50 50 GLY HA2 H 1 3.583 0.005 . 2 . . 543 . A 69 GLY HA2 . 34708 1 564 . 1 . 1 50 50 GLY HA3 H 1 4.445 0.005 . 2 . . 542 . A 69 GLY HA3 . 34708 1 565 . 1 . 1 50 50 GLY C C 13 174.264 0.011 . 1 . . 373 . A 69 GLY C . 34708 1 566 . 1 . 1 50 50 GLY CA C 13 44.786 0.023 . 1 . . 365 . A 69 GLY CA . 34708 1 567 . 1 . 1 50 50 GLY N N 15 115.683 0.031 . 1 . . 194 . A 69 GLY N . 34708 1 568 . 1 . 1 51 51 ASP H H 1 8.572 0.003 . 1 . . 199 . A 70 ASP H . 34708 1 569 . 1 . 1 51 51 ASP HA H 1 4.828 0.005 . 1 . . 545 . A 70 ASP HA . 34708 1 570 . 1 . 1 51 51 ASP HB2 H 1 2.666 0.016 . 2 . . 1349 . A 70 ASP HB2 . 34708 1 571 . 1 . 1 51 51 ASP HB3 H 1 2.478 0.006 . 2 . . 1348 . A 70 ASP HB3 . 34708 1 572 . 1 . 1 51 51 ASP C C 13 174.172 . . 1 . . 374 . A 70 ASP C . 34708 1 573 . 1 . 1 51 51 ASP CA C 13 53.868 0.02 . 1 . . 367 . A 70 ASP CA . 34708 1 574 . 1 . 1 51 51 ASP CB C 13 40.438 0.035 . 1 . . 1347 . A 70 ASP CB . 34708 1 575 . 1 . 1 51 51 ASP N N 15 123.507 0.096 . 1 . . 200 . A 70 ASP N . 34708 1 576 . 1 . 1 52 52 PRO HA H 1 4.872 0.014 . 1 . . 710 . A 71 PRO HA . 34708 1 577 . 1 . 1 52 52 PRO HB2 H 1 2.222 0.003 . 2 . . 711 . A 71 PRO HB3 . 34708 1 578 . 1 . 1 52 52 PRO HB3 H 1 1.798 0.008 . 2 . . 1204 . A 71 PRO HB3 . 34708 1 579 . 1 . 1 52 52 PRO HG2 H 1 2.190 0.011 . 2 . . 712 . A 71 PRO HG2 . 34708 1 580 . 1 . 1 52 52 PRO HG3 H 1 2.406 0.011 . 2 . . 1112 . A 71 PRO HG3 . 34708 1 581 . 1 . 1 52 52 PRO HD2 H 1 3.795 0.003 . 2 . . 715 . A 71 PRO HD2 . 34708 1 582 . 1 . 1 52 52 PRO HD3 H 1 4.107 0.005 . 2 . . 716 . A 71 PRO HD3 . 34708 1 583 . 1 . 1 52 52 PRO C C 13 176.045 . . 1 . . 265 . A 71 PRO C . 34708 1 584 . 1 . 1 52 52 PRO CA C 13 62.042 0.044 . 1 . . 241 . A 71 PRO CA . 34708 1 585 . 1 . 1 52 52 PRO CB C 13 31.686 0.027 . 1 . . 242 . A 71 PRO CB . 34708 1 586 . 1 . 1 52 52 PRO CG C 13 27.687 0.037 . 1 . . 1111 . A 71 PRO CG . 34708 1 587 . 1 . 1 52 52 PRO CD C 13 50.914 0.018 . 1 . . 714 . A 71 PRO CD . 34708 1 588 . 1 . 1 53 53 VAL H H 1 7.794 0.002 . 1 . . 163 . A 72 VAL H . 34708 1 589 . 1 . 1 53 53 VAL HA H 1 4.464 0.005 . 1 . . 546 . A 72 VAL HA . 34708 1 590 . 1 . 1 53 53 VAL HB H 1 1.050 0.014 . 1 . . 717 . A 72 VAL HB . 34708 1 591 . 1 . 1 53 53 VAL HG11 H 1 0.024 0.012 . 2 . . 719 . A 72 VAL HG11 . 34708 1 592 . 1 . 1 53 53 VAL HG12 H 1 0.024 0.012 . 2 . . 719 . A 72 VAL HG12 . 34708 1 593 . 1 . 1 53 53 VAL HG13 H 1 0.024 0.012 . 2 . . 719 . A 72 VAL HG13 . 34708 1 594 . 1 . 1 53 53 VAL HG21 H 1 0.078 0.021 . 2 . . 721 . A 72 VAL HG21 . 34708 1 595 . 1 . 1 53 53 VAL HG22 H 1 0.078 0.021 . 2 . . 721 . A 72 VAL HG22 . 34708 1 596 . 1 . 1 53 53 VAL HG23 H 1 0.078 0.021 . 2 . . 721 . A 72 VAL HG23 . 34708 1 597 . 1 . 1 53 53 VAL C C 13 174.734 0.033 . 1 . . 266 . A 72 VAL C . 34708 1 598 . 1 . 1 53 53 VAL CA C 13 60.444 0.004 . 1 . . 228 . A 72 VAL CA . 34708 1 599 . 1 . 1 53 53 VAL CB C 13 35.376 0.055 . 1 . . 227 . A 72 VAL CB . 34708 1 600 . 1 . 1 53 53 VAL CG1 C 13 19.445 0.057 . 2 . . 718 . A 72 VAL CG1 . 34708 1 601 . 1 . 1 53 53 VAL CG2 C 13 20.784 0.039 . 2 . . 720 . A 72 VAL CG2 . 34708 1 602 . 1 . 1 53 53 VAL N N 15 122.152 0.027 . 1 . . 164 . A 72 VAL N . 34708 1 603 . 1 . 1 54 54 TYR H H 1 9.023 0.013 . 1 . . 67 . A 73 TYR H . 34708 1 604 . 1 . 1 54 54 TYR HA H 1 4.818 0.013 . 1 . . 547 . A 73 TYR HA . 34708 1 605 . 1 . 1 54 54 TYR HB2 H 1 2.937 0.005 . 2 . . 723 . A 73 TYR HB2 . 34708 1 606 . 1 . 1 54 54 TYR HB3 H 1 3.403 0.009 . 2 . . 722 . A 73 TYR HB3 . 34708 1 607 . 1 . 1 54 54 TYR HD1 H 1 7.242 . . 1 . . 959 . A 73 TYR HD1 . 34708 1 608 . 1 . 1 54 54 TYR HD2 H 1 7.242 . . 1 . . 959 . A 73 TYR HD2 . 34708 1 609 . 1 . 1 54 54 TYR HE1 H 1 6.931 . . 1 . . 960 . A 73 TYR HE1 . 34708 1 610 . 1 . 1 54 54 TYR HE2 H 1 6.931 . . 1 . . 960 . A 73 TYR HE2 . 34708 1 611 . 1 . 1 54 54 TYR C C 13 174.686 . . 1 . . 267 . A 73 TYR C . 34708 1 612 . 1 . 1 54 54 TYR CA C 13 58.364 0.027 . 1 . . 226 . A 73 TYR CA . 34708 1 613 . 1 . 1 54 54 TYR CB C 13 38.033 0.069 . 1 . . 225 . A 73 TYR CB . 34708 1 614 . 1 . 1 54 54 TYR CD1 C 13 133.909 0.04 . 1 . . 958 . A 73 TYR CD1 . 34708 1 615 . 1 . 1 54 54 TYR CD2 C 13 133.909 0.04 . 1 . . 958 . A 73 TYR CD2 . 34708 1 616 . 1 . 1 54 54 TYR CE1 C 13 118.086 0.017 . 1 . . 961 . A 73 TYR CE1 . 34708 1 617 . 1 . 1 54 54 TYR CE2 C 13 118.086 0.017 . 1 . . 961 . A 73 TYR CE2 . 34708 1 618 . 1 . 1 54 54 TYR N N 15 128.347 0.019 . 1 . . 68 . A 73 TYR N . 34708 1 619 . 1 . 1 55 55 VAL H H 1 9.077 0.006 . 1 . . 146 . A 74 VAL H . 34708 1 620 . 1 . 1 55 55 VAL HA H 1 4.477 0.022 . 1 . . 548 . A 74 VAL HA . 34708 1 621 . 1 . 1 55 55 VAL HB H 1 2.194 0.005 . 1 . . 728 . A 74 VAL HB . 34708 1 622 . 1 . 1 55 55 VAL HG11 H 1 1.341 0.021 . 2 . . 725 . A 74 VAL HG11 . 34708 1 623 . 1 . 1 55 55 VAL HG12 H 1 1.341 0.021 . 2 . . 725 . A 74 VAL HG12 . 34708 1 624 . 1 . 1 55 55 VAL HG13 H 1 1.341 0.021 . 2 . . 725 . A 74 VAL HG13 . 34708 1 625 . 1 . 1 55 55 VAL HG21 H 1 1.051 0.009 . 2 . . 727 . A 74 VAL HG21 . 34708 1 626 . 1 . 1 55 55 VAL HG22 H 1 1.051 0.009 . 2 . . 727 . A 74 VAL HG22 . 34708 1 627 . 1 . 1 55 55 VAL HG23 H 1 1.051 0.009 . 2 . . 727 . A 74 VAL HG23 . 34708 1 628 . 1 . 1 55 55 VAL C C 13 175.243 0.001 . 1 . . 268 . A 74 VAL C . 34708 1 629 . 1 . 1 55 55 VAL CA C 13 63.650 0.119 . 1 . . 224 . A 74 VAL CA . 34708 1 630 . 1 . 1 55 55 VAL CB C 13 33.422 0.01 . 1 . . 223 . A 74 VAL CB . 34708 1 631 . 1 . 1 55 55 VAL CG1 C 13 21.616 0.072 . 2 . . 724 . A 74 VAL CG1 . 34708 1 632 . 1 . 1 55 55 VAL CG2 C 13 21.733 0.017 . 2 . . 726 . A 74 VAL CG2 . 34708 1 633 . 1 . 1 55 55 VAL N N 15 123.286 0.023 . 1 . . 147 . A 74 VAL N . 34708 1 634 . 1 . 1 56 56 TYR H H 1 9.137 0.007 . 1 . . 39 . A 75 TYR H . 34708 1 635 . 1 . 1 56 56 TYR HA H 1 4.592 0.012 . 1 . . 549 . A 75 TYR HA . 34708 1 636 . 1 . 1 56 56 TYR HB2 H 1 2.647 0.007 . 2 . . 730 . A 75 TYR HB2 . 34708 1 637 . 1 . 1 56 56 TYR HB3 H 1 3.243 0.018 . 2 . . 729 . A 75 TYR HB3 . 34708 1 638 . 1 . 1 56 56 TYR HD1 H 1 7.036 . . 1 . . 962 . A 75 TYR HD1 . 34708 1 639 . 1 . 1 56 56 TYR HD2 H 1 7.036 . . 1 . . 962 . A 75 TYR HD2 . 34708 1 640 . 1 . 1 56 56 TYR HE1 H 1 6.799 . . 1 . . 964 . A 75 TYR HE1 . 34708 1 641 . 1 . 1 56 56 TYR HE2 H 1 6.799 . . 1 . . 964 . A 75 TYR HE2 . 34708 1 642 . 1 . 1 56 56 TYR C C 13 173.389 0.015 . 1 . . 269 . A 75 TYR C . 34708 1 643 . 1 . 1 56 56 TYR CA C 13 61.366 0.058 . 1 . . 221 . A 75 TYR CA . 34708 1 644 . 1 . 1 56 56 TYR CB C 13 42.000 0.025 . 1 . . 222 . A 75 TYR CB . 34708 1 645 . 1 . 1 56 56 TYR CD1 C 13 133.442 0.009 . 1 . . 881 . A 75 TYR CD1 . 34708 1 646 . 1 . 1 56 56 TYR CD2 C 13 133.442 0.009 . 1 . . 881 . A 75 TYR CD2 . 34708 1 647 . 1 . 1 56 56 TYR CE1 C 13 118.883 0.011 . 1 . . 963 . A 75 TYR CE1 . 34708 1 648 . 1 . 1 56 56 TYR CE2 C 13 118.883 0.011 . 1 . . 963 . A 75 TYR CE2 . 34708 1 649 . 1 . 1 56 56 TYR N N 15 127.157 0.029 . 1 . . 40 . A 75 TYR N . 34708 1 650 . 1 . 1 57 57 TYR H H 1 7.650 0.004 . 1 . . 43 . A 76 TYR H . 34708 1 651 . 1 . 1 57 57 TYR HA H 1 5.517 0.008 . 1 . . 550 . A 76 TYR HA . 34708 1 652 . 1 . 1 57 57 TYR HB2 H 1 4.086 0.013 . 2 . . 732 . A 76 TYR HB2 . 34708 1 653 . 1 . 1 57 57 TYR HB3 H 1 3.073 0.018 . 2 . . 731 . A 76 TYR HB3 . 34708 1 654 . 1 . 1 57 57 TYR HD1 H 1 6.879 0.022 . 1 . . 1364 . A 76 TYR HD1 . 34708 1 655 . 1 . 1 57 57 TYR HD2 H 1 6.879 0.022 . 1 . . 1364 . A 76 TYR HD2 . 34708 1 656 . 1 . 1 57 57 TYR HE1 H 1 6.879 . . 1 . . 1244 . A 76 TYR HE1 . 34708 1 657 . 1 . 1 57 57 TYR HE2 H 1 6.879 . . 1 . . 1244 . A 76 TYR HE2 . 34708 1 658 . 1 . 1 57 57 TYR C C 13 173.145 0.004 . 1 . . 270 . A 76 TYR C . 34708 1 659 . 1 . 1 57 57 TYR CA C 13 57.289 0.023 . 1 . . 219 . A 76 TYR CA . 34708 1 660 . 1 . 1 57 57 TYR CB C 13 41.415 0.04 . 1 . . 220 . A 76 TYR CB . 34708 1 661 . 1 . 1 57 57 TYR CD1 C 13 132.723 0.001 . 1 . . 1363 . A 76 TYR CD1 . 34708 1 662 . 1 . 1 57 57 TYR CD2 C 13 132.723 0.001 . 1 . . 1363 . A 76 TYR CD2 . 34708 1 663 . 1 . 1 57 57 TYR CE1 C 13 118.099 0.01 . 1 . . 1243 . A 76 TYR CE1 . 34708 1 664 . 1 . 1 57 57 TYR CE2 C 13 118.099 0.01 . 1 . . 1243 . A 76 TYR CE2 . 34708 1 665 . 1 . 1 57 57 TYR N N 15 108.536 0.015 . 1 . . 44 . A 76 TYR N . 34708 1 666 . 1 . 1 58 58 LYS H H 1 8.570 0.003 . 1 . . 93 . A 77 LYS H . 34708 1 667 . 1 . 1 58 58 LYS HA H 1 4.810 0.006 . 1 . . 1078 . A 77 LYS HA . 34708 1 668 . 1 . 1 58 58 LYS HB2 H 1 1.818 0.03 . 2 . . 1159 . A 77 LYS HB2 . 34708 1 669 . 1 . 1 58 58 LYS HB3 H 1 1.662 0.005 . 2 . . 1160 . A 77 LYS HB3 . 34708 1 670 . 1 . 1 58 58 LYS HG2 H 1 0.760 0.021 . 2 . . 1161 . A 77 LYS HG2 . 34708 1 671 . 1 . 1 58 58 LYS HG3 H 1 -0.629 0.005 . 2 . . 1153 . A 77 LYS HG3 . 34708 1 672 . 1 . 1 58 58 LYS HD2 H 1 1.438 0.022 . 2 . . 1155 . A 77 LYS HD2 . 34708 1 673 . 1 . 1 58 58 LYS HD3 H 1 1.489 0.017 . 2 . . 1157 . A 77 LYS HD3 . 34708 1 674 . 1 . 1 58 58 LYS HE2 H 1 2.469 0.019 . 2 . . 1150 . A 77 LYS HE2 . 34708 1 675 . 1 . 1 58 58 LYS HE3 H 1 2.675 0.006 . 2 . . 1152 . A 77 LYS HE3 . 34708 1 676 . 1 . 1 58 58 LYS C C 13 177.477 . . 1 . . 271 . A 77 LYS C . 34708 1 677 . 1 . 1 58 58 LYS CA C 13 54.144 0.033 . 1 . . 1079 . A 77 LYS CA . 34708 1 678 . 1 . 1 58 58 LYS CB C 13 36.246 0.062 . 1 . . 1158 . A 77 LYS CB . 34708 1 679 . 1 . 1 58 58 LYS CG C 13 22.709 0.108 . 1 . . 1154 . A 77 LYS CG . 34708 1 680 . 1 . 1 58 58 LYS CD C 13 29.673 0.082 . 1 . . 1156 . A 77 LYS CD . 34708 1 681 . 1 . 1 58 58 LYS CE C 13 42.010 0.059 . 1 . . 1151 . A 77 LYS CE . 34708 1 682 . 1 . 1 58 58 LYS N N 15 115.721 0.046 . 1 . . 94 . A 77 LYS N . 34708 1 683 . 1 . 1 59 59 LEU H H 1 8.676 0.008 . 1 . . 95 . A 78 LEU H . 34708 1 684 . 1 . 1 59 59 LEU HA H 1 5.029 0.007 . 1 . . 551 . A 78 LEU HA . 34708 1 685 . 1 . 1 59 59 LEU HB2 H 1 2.496 0.012 . 2 . . 1222 . A 78 LEU HB2 . 34708 1 686 . 1 . 1 59 59 LEU HB3 H 1 1.678 0.011 . 2 . . 1221 . A 78 LEU HB3 . 34708 1 687 . 1 . 1 59 59 LEU HD11 H 1 1.238 0.013 . 2 . . 1326 . A 78 LEU HD11 . 34708 1 688 . 1 . 1 59 59 LEU HD12 H 1 1.238 0.013 . 2 . . 1326 . A 78 LEU HD12 . 34708 1 689 . 1 . 1 59 59 LEU HD13 H 1 1.238 0.013 . 2 . . 1326 . A 78 LEU HD13 . 34708 1 690 . 1 . 1 59 59 LEU HD21 H 1 0.871 0.012 . 2 . . 1328 . A 78 LEU HD21 . 34708 1 691 . 1 . 1 59 59 LEU HD22 H 1 0.871 0.012 . 2 . . 1328 . A 78 LEU HD22 . 34708 1 692 . 1 . 1 59 59 LEU HD23 H 1 0.871 0.012 . 2 . . 1328 . A 78 LEU HD23 . 34708 1 693 . 1 . 1 59 59 LEU C C 13 177.709 0.002 . 1 . . 272 . A 78 LEU C . 34708 1 694 . 1 . 1 59 59 LEU CA C 13 55.495 0.048 . 1 . . 217 . A 78 LEU CA . 34708 1 695 . 1 . 1 59 59 LEU CB C 13 40.677 0.093 . 1 . . 218 . A 78 LEU CB . 34708 1 696 . 1 . 1 59 59 LEU CD1 C 13 22.087 0.004 . 2 . . 1325 . A 78 LEU CD1 . 34708 1 697 . 1 . 1 59 59 LEU CD2 C 13 27.109 0.022 . 2 . . 1327 . A 78 LEU CD2 . 34708 1 698 . 1 . 1 59 59 LEU N N 15 120.082 0.043 . 1 . . 96 . A 78 LEU N . 34708 1 699 . 1 . 1 60 60 ALA H H 1 8.187 0.003 . 1 . . 59 . A 79 ALA H . 34708 1 700 . 1 . 1 60 60 ALA HA H 1 4.438 0.006 . 1 . . 552 . A 79 ALA HA . 34708 1 701 . 1 . 1 60 60 ALA HB1 H 1 1.337 0.008 . 1 . . 733 . A 79 ALA HB1 . 34708 1 702 . 1 . 1 60 60 ALA HB2 H 1 1.337 0.008 . 1 . . 733 . A 79 ALA HB2 . 34708 1 703 . 1 . 1 60 60 ALA HB3 H 1 1.337 0.008 . 1 . . 733 . A 79 ALA HB3 . 34708 1 704 . 1 . 1 60 60 ALA C C 13 176.481 0.001 . 1 . . 273 . A 79 ALA C . 34708 1 705 . 1 . 1 60 60 ALA CA C 13 52.804 0.019 . 1 . . 216 . A 79 ALA CA . 34708 1 706 . 1 . 1 60 60 ALA CB C 13 19.402 0.062 . 1 . . 215 . A 79 ALA CB . 34708 1 707 . 1 . 1 60 60 ALA N N 15 126.095 0.031 . 1 . . 60 . A 79 ALA N . 34708 1 708 . 1 . 1 61 61 ARG H H 1 8.161 0.008 . 1 . . 142 . A 80 ARG H . 34708 1 709 . 1 . 1 61 61 ARG HA H 1 4.484 0.019 . 1 . . 734 . A 80 ARG HA . 34708 1 710 . 1 . 1 61 61 ARG HB2 H 1 2.012 0.018 . 2 . . 1351 . A 80 ARG HB2 . 34708 1 711 . 1 . 1 61 61 ARG HB3 H 1 2.120 0.001 . 2 . . 1352 . A 80 ARG HB3 . 34708 1 712 . 1 . 1 61 61 ARG HG2 H 1 1.717 0.009 . 2 . . 1353 . A 80 ARG HG2 . 34708 1 713 . 1 . 1 61 61 ARG HG3 H 1 1.766 0.006 . 2 . . 1356 . A 80 ARG HG3 . 34708 1 714 . 1 . 1 61 61 ARG HD2 H 1 3.289 0.003 . 2 . . 1357 . A 80 ARG HD2 . 34708 1 715 . 1 . 1 61 61 ARG HD3 H 1 3.288 0.004 . 2 . . 1358 . A 80 ARG HD3 . 34708 1 716 . 1 . 1 61 61 ARG C C 13 175.678 0.003 . 1 . . 274 . A 80 ARG C . 34708 1 717 . 1 . 1 61 61 ARG CA C 13 56.335 0.059 . 1 . . 214 . A 80 ARG CA . 34708 1 718 . 1 . 1 61 61 ARG CB C 13 31.161 0.038 . 1 . . 1350 . A 80 ARG CB . 34708 1 719 . 1 . 1 61 61 ARG CG C 13 27.881 0.0 . 1 . . 1355 . A 80 ARG CG . 34708 1 720 . 1 . 1 61 61 ARG CD C 13 43.108 0.012 . 1 . . 1359 . A 80 ARG CD . 34708 1 721 . 1 . 1 61 61 ARG N N 15 118.074 0.04 . 1 . . 143 . A 80 ARG N . 34708 1 722 . 1 . 1 62 62 GLY H H 1 8.259 0.008 . 1 . . 1 . A 81 GLY H . 34708 1 723 . 1 . 1 62 62 GLY HA2 H 1 4.058 0.013 . 2 . . 553 . A 81 GLY HA3 . 34708 1 724 . 1 . 1 62 62 GLY HA3 H 1 4.052 0.007 . 2 . . 735 . A 81 GLY HA3 . 34708 1 725 . 1 . 1 62 62 GLY C C 13 172.187 0.001 . 1 . . 275 . A 81 GLY C . 34708 1 726 . 1 . 1 62 62 GLY CA C 13 44.665 0.018 . 1 . . 240 . A 81 GLY CA . 34708 1 727 . 1 . 1 62 62 GLY N N 15 109.469 0.021 . 1 . . 2 . A 81 GLY N . 34708 1 728 . 1 . 1 63 63 TRP H H 1 8.178 0.006 . 1 . . 484 . A 82 TRP H . 34708 1 729 . 1 . 1 63 63 TRP HA H 1 4.562 0.014 . 1 . . 554 . A 82 TRP HA . 34708 1 730 . 1 . 1 63 63 TRP HB2 H 1 3.290 0.02 . 2 . . 737 . A 82 TRP HB2 . 34708 1 731 . 1 . 1 63 63 TRP HB3 H 1 3.210 0.032 . 2 . . 738 . A 82 TRP HB3 . 34708 1 732 . 1 . 1 63 63 TRP HD1 H 1 7.506 0.029 . 1 . . 966 . A 82 TRP HD1 . 34708 1 733 . 1 . 1 63 63 TRP HE1 H 1 10.382 0.002 . 1 . . 21 . A 82 TRP HE1 . 34708 1 734 . 1 . 1 63 63 TRP HZ2 H 1 7.479 0.011 . 1 . . 1197 . A 82 TRP HZ2 . 34708 1 735 . 1 . 1 63 63 TRP HZ3 H 1 7.126 0.0 . 1 . . 1295 . A 82 TRP HZ3 . 34708 1 736 . 1 . 1 63 63 TRP HH2 H 1 7.203 0.005 . 1 . . 1287 . A 82 TRP HH2 . 34708 1 737 . 1 . 1 63 63 TRP C C 13 175.008 . . 1 . . 487 . A 82 TRP C . 34708 1 738 . 1 . 1 63 63 TRP CA C 13 56.450 0.02 . 1 . . 486 . A 82 TRP CA . 34708 1 739 . 1 . 1 63 63 TRP CB C 13 31.092 0.072 . 1 . . 736 . A 82 TRP CB . 34708 1 740 . 1 . 1 63 63 TRP CD1 C 13 127.850 0.1 . 1 . . 965 . A 82 TRP CD1 . 34708 1 741 . 1 . 1 63 63 TRP CZ2 C 13 114.680 0.003 . 1 . . 1196 . A 82 TRP CZ2 . 34708 1 742 . 1 . 1 63 63 TRP CZ3 C 13 121.877 0.011 . 1 . . 1294 . A 82 TRP CZ3 . 34708 1 743 . 1 . 1 63 63 TRP CH2 C 13 124.871 0.004 . 1 . . 1286 . A 82 TRP CH2 . 34708 1 744 . 1 . 1 63 63 TRP N N 15 120.134 0.011 . 1 . . 485 . A 82 TRP N . 34708 1 745 . 1 . 1 63 63 TRP NE1 N 15 130.094 0.076 . 1 . . 22 . A 82 TRP NE1 . 34708 1 746 . 1 . 1 64 64 PRO HA H 1 3.564 0.013 . 1 . . 1072 . A 83 PRO HA . 34708 1 747 . 1 . 1 64 64 PRO HB2 H 1 1.459 0.016 . 2 . . 1075 . A 83 PRO HB2 . 34708 1 748 . 1 . 1 64 64 PRO HB3 H 1 1.437 0.034 . 2 . . 1076 . A 83 PRO HB3 . 34708 1 749 . 1 . 1 64 64 PRO HG2 H 1 0.926 0.009 . 2 . . 1043 . A 83 PRO HG2 . 34708 1 750 . 1 . 1 64 64 PRO HG3 H 1 1.464 0.001 . 2 . . 1045 . A 83 PRO HG3 . 34708 1 751 . 1 . 1 64 64 PRO HD2 H 1 3.197 0.007 . 2 . . 1041 . A 83 PRO HD2 . 34708 1 752 . 1 . 1 64 64 PRO HD3 H 1 2.997 0.003 . 2 . . 1247 . A 83 PRO HD3 . 34708 1 753 . 1 . 1 64 64 PRO C C 13 174.780 . . 1 . . 477 . A 83 PRO C . 34708 1 754 . 1 . 1 64 64 PRO CA C 13 62.266 0.056 . 1 . . 1073 . A 83 PRO CA . 34708 1 755 . 1 . 1 64 64 PRO CB C 13 33.577 0.072 . 1 . . 1074 . A 83 PRO CB . 34708 1 756 . 1 . 1 64 64 PRO CG C 13 25.104 0.029 . 1 . . 1044 . A 83 PRO CG . 34708 1 757 . 1 . 1 64 64 PRO CD C 13 50.049 0.065 . 1 . . 1042 . A 83 PRO CD . 34708 1 758 . 1 . 1 65 65 GLU H H 1 8.837 0.006 . 1 . . 183 . A 84 GLU H . 34708 1 759 . 1 . 1 65 65 GLU HA H 1 4.204 0.007 . 1 . . 555 . A 84 GLU HA . 34708 1 760 . 1 . 1 65 65 GLU HB2 H 1 1.938 0.028 . 2 . . 739 . A 84 GLU HB2 . 34708 1 761 . 1 . 1 65 65 GLU HB3 H 1 1.932 0.024 . 2 . . 740 . A 84 GLU HB3 . 34708 1 762 . 1 . 1 65 65 GLU HG2 H 1 2.425 0.032 . 2 . . 742 . A 84 GLU HG2 . 34708 1 763 . 1 . 1 65 65 GLU HG3 H 1 2.473 0.029 . 2 . . 743 . A 84 GLU HG3 . 34708 1 764 . 1 . 1 65 65 GLU C C 13 176.893 0.005 . 1 . . 476 . A 84 GLU C . 34708 1 765 . 1 . 1 65 65 GLU CA C 13 57.767 0.033 . 1 . . 279 . A 84 GLU CA . 34708 1 766 . 1 . 1 65 65 GLU CB C 13 30.287 0.036 . 1 . . 278 . A 84 GLU CB . 34708 1 767 . 1 . 1 65 65 GLU CG C 13 37.481 0.016 . 1 . . 741 . A 84 GLU CG . 34708 1 768 . 1 . 1 65 65 GLU N N 15 122.960 0.037 . 1 . . 184 . A 84 GLU N . 34708 1 769 . 1 . 1 66 66 VAL H H 1 8.890 0.004 . 1 . . 109 . A 85 VAL H . 34708 1 770 . 1 . 1 66 66 VAL HA H 1 4.470 0.012 . 1 . . 556 . A 85 VAL HA . 34708 1 771 . 1 . 1 66 66 VAL HB H 1 1.950 0.008 . 1 . . 744 . A 85 VAL HB . 34708 1 772 . 1 . 1 66 66 VAL HG11 H 1 0.838 0.006 . 2 . . 746 . A 85 VAL HG11 . 34708 1 773 . 1 . 1 66 66 VAL HG12 H 1 0.838 0.006 . 2 . . 746 . A 85 VAL HG12 . 34708 1 774 . 1 . 1 66 66 VAL HG13 H 1 0.838 0.006 . 2 . . 746 . A 85 VAL HG13 . 34708 1 775 . 1 . 1 66 66 VAL HG21 H 1 1.002 0.016 . 2 . . 748 . A 85 VAL HG21 . 34708 1 776 . 1 . 1 66 66 VAL HG22 H 1 1.002 0.016 . 2 . . 748 . A 85 VAL HG22 . 34708 1 777 . 1 . 1 66 66 VAL HG23 H 1 1.002 0.016 . 2 . . 748 . A 85 VAL HG23 . 34708 1 778 . 1 . 1 66 66 VAL C C 13 173.612 0.007 . 1 . . 478 . A 85 VAL C . 34708 1 779 . 1 . 1 66 66 VAL CA C 13 61.724 0.046 . 1 . . 276 . A 85 VAL CA . 34708 1 780 . 1 . 1 66 66 VAL CB C 13 35.487 0.058 . 1 . . 277 . A 85 VAL CB . 34708 1 781 . 1 . 1 66 66 VAL CG1 C 13 22.518 0.049 . 2 . . 745 . A 85 VAL CG1 . 34708 1 782 . 1 . 1 66 66 VAL CG2 C 13 23.223 0.04 . 2 . . 747 . A 85 VAL CG2 . 34708 1 783 . 1 . 1 66 66 VAL N N 15 126.192 0.014 . 1 . . 110 . A 85 VAL N . 34708 1 784 . 1 . 1 67 67 TRP H H 1 8.515 0.015 . 1 . . 17 . A 86 TRP H . 34708 1 785 . 1 . 1 67 67 TRP HA H 1 5.285 0.007 . 1 . . 557 . A 86 TRP HA . 34708 1 786 . 1 . 1 67 67 TRP HB2 H 1 3.137 0.007 . 2 . . 750 . A 86 TRP HB2 . 34708 1 787 . 1 . 1 67 67 TRP HB3 H 1 2.478 0.006 . 2 . . 749 . A 86 TRP HB3 . 34708 1 788 . 1 . 1 67 67 TRP HD1 H 1 7.344 0.006 . 1 . . 967 . A 86 TRP HD1 . 34708 1 789 . 1 . 1 67 67 TRP HE1 H 1 11.240 0.002 . 1 . . 116 . A 86 TRP HE1 . 34708 1 790 . 1 . 1 67 67 TRP HE3 H 1 7.576 0.008 . 1 . . 1291 . A 86 TRP HE3 . 34708 1 791 . 1 . 1 67 67 TRP HZ2 H 1 7.529 0.013 . 1 . . 1284 . A 86 TRP HZ2 . 34708 1 792 . 1 . 1 67 67 TRP HH2 H 1 6.975 0.01 . 1 . . 1289 . A 86 TRP HH2 . 34708 1 793 . 1 . 1 67 67 TRP C C 13 172.024 0.008 . 1 . . 479 . A 86 TRP C . 34708 1 794 . 1 . 1 67 67 TRP CA C 13 52.870 0.035 . 1 . . 282 . A 86 TRP CA . 34708 1 795 . 1 . 1 67 67 TRP CB C 13 34.560 0.063 . 1 . . 283 . A 86 TRP CB . 34708 1 796 . 1 . 1 67 67 TRP CD1 C 13 122.331 0.085 . 1 . . 968 . A 86 TRP CD1 . 34708 1 797 . 1 . 1 67 67 TRP CE3 C 13 121.159 0.001 . 1 . . 1290 . A 86 TRP CE3 . 34708 1 798 . 1 . 1 67 67 TRP CZ2 C 13 115.171 0.008 . 1 . . 1285 . A 86 TRP CZ2 . 34708 1 799 . 1 . 1 67 67 TRP CH2 C 13 125.347 0.003 . 1 . . 1288 . A 86 TRP CH2 . 34708 1 800 . 1 . 1 67 67 TRP N N 15 127.993 0.028 . 1 . . 18 . A 86 TRP N . 34708 1 801 . 1 . 1 67 67 TRP NE1 N 15 130.294 0.035 . 1 . . 117 . A 86 TRP NE1 . 34708 1 802 . 1 . 1 68 68 ALA H H 1 8.742 0.01 . 1 . . 73 . A 87 ALA H . 34708 1 803 . 1 . 1 68 68 ALA HA H 1 4.834 0.013 . 1 . . 537 . A 87 ALA HA . 34708 1 804 . 1 . 1 68 68 ALA HB1 H 1 0.072 0.003 . 1 . . 536 . A 87 ALA HB1 . 34708 1 805 . 1 . 1 68 68 ALA HB2 H 1 0.072 0.003 . 1 . . 536 . A 87 ALA HB2 . 34708 1 806 . 1 . 1 68 68 ALA HB3 H 1 0.072 0.003 . 1 . . 536 . A 87 ALA HB3 . 34708 1 807 . 1 . 1 68 68 ALA C C 13 177.473 0.017 . 1 . . 480 . A 87 ALA C . 34708 1 808 . 1 . 1 68 68 ALA CA C 13 50.186 0.02 . 1 . . 281 . A 87 ALA CA . 34708 1 809 . 1 . 1 68 68 ALA CB C 13 21.498 0.071 . 1 . . 280 . A 87 ALA CB . 34708 1 810 . 1 . 1 68 68 ALA N N 15 120.454 0.029 . 1 . . 74 . A 87 ALA N . 34708 1 811 . 1 . 1 69 69 GLY H H 1 8.655 0.013 . 1 . . 23 . A 88 GLY H . 34708 1 812 . 1 . 1 69 69 GLY HA2 H 1 4.631 0.006 . 2 . . 558 . A 88 GLY HA3 . 34708 1 813 . 1 . 1 69 69 GLY HA3 H 1 4.631 0.009 . 2 . . 751 . A 88 GLY HA3 . 34708 1 814 . 1 . 1 69 69 GLY C C 13 178.772 0.003 . 1 . . 481 . A 88 GLY C . 34708 1 815 . 1 . 1 69 69 GLY CA C 13 46.989 0.054 . 1 . . 284 . A 88 GLY CA . 34708 1 816 . 1 . 1 69 69 GLY N N 15 109.239 0.019 . 1 . . 24 . A 88 GLY N . 34708 1 817 . 1 . 1 70 70 SER H H 1 9.719 0.003 . 1 . . 47 . A 89 SER H . 34708 1 818 . 1 . 1 70 70 SER HA H 1 5.816 0.006 . 1 . . 559 . A 89 SER HA . 34708 1 819 . 1 . 1 70 70 SER HB2 H 1 3.968 0.006 . 2 . . 753 . A 89 SER HB2 . 34708 1 820 . 1 . 1 70 70 SER HB3 H 1 4.240 0.011 . 2 . . 752 . A 89 SER HB3 . 34708 1 821 . 1 . 1 70 70 SER C C 13 173.920 0.013 . 1 . . 482 . A 89 SER C . 34708 1 822 . 1 . 1 70 70 SER CA C 13 56.524 0.028 . 1 . . 286 . A 89 SER CA . 34708 1 823 . 1 . 1 70 70 SER CB C 13 67.970 0.06 . 1 . . 285 . A 89 SER CB . 34708 1 824 . 1 . 1 70 70 SER N N 15 113.324 0.045 . 1 . . 48 . A 89 SER N . 34708 1 825 . 1 . 1 71 71 VAL H H 1 8.070 0.007 . 1 . . 83 . A 90 VAL H . 34708 1 826 . 1 . 1 71 71 VAL HA H 1 4.596 0.008 . 1 . . 560 . A 90 VAL HA . 34708 1 827 . 1 . 1 71 71 VAL HB H 1 2.058 0.005 . 1 . . 754 . A 90 VAL HB . 34708 1 828 . 1 . 1 71 71 VAL HG11 H 1 1.160 0.023 . 2 . . 756 . A 90 VAL HG11 . 34708 1 829 . 1 . 1 71 71 VAL HG12 H 1 1.160 0.023 . 2 . . 756 . A 90 VAL HG12 . 34708 1 830 . 1 . 1 71 71 VAL HG13 H 1 1.160 0.023 . 2 . . 756 . A 90 VAL HG13 . 34708 1 831 . 1 . 1 71 71 VAL HG21 H 1 1.071 0.016 . 2 . . 758 . A 90 VAL HG21 . 34708 1 832 . 1 . 1 71 71 VAL HG22 H 1 1.071 0.016 . 2 . . 758 . A 90 VAL HG22 . 34708 1 833 . 1 . 1 71 71 VAL HG23 H 1 1.071 0.016 . 2 . . 758 . A 90 VAL HG23 . 34708 1 834 . 1 . 1 71 71 VAL C C 13 177.680 0.006 . 1 . . 483 . A 90 VAL C . 34708 1 835 . 1 . 1 71 71 VAL CA C 13 61.651 0.006 . 1 . . 288 . A 90 VAL CA . 34708 1 836 . 1 . 1 71 71 VAL CB C 13 34.145 0.036 . 1 . . 287 . A 90 VAL CB . 34708 1 837 . 1 . 1 71 71 VAL CG1 C 13 20.746 0.051 . 2 . . 757 . A 90 VAL CG1 . 34708 1 838 . 1 . 1 71 71 VAL CG2 C 13 22.416 0.019 . 2 . . 755 . A 90 VAL CG2 . 34708 1 839 . 1 . 1 71 71 VAL N N 15 121.350 0.035 . 1 . . 84 . A 90 VAL N . 34708 1 840 . 1 . 1 72 72 GLY H H 1 9.391 0.003 . 1 . . 85 . A 91 GLY H . 34708 1 841 . 1 . 1 72 72 GLY HA2 H 1 3.866 0.003 . 2 . . 760 . A 91 GLY HA2 . 34708 1 842 . 1 . 1 72 72 GLY HA3 H 1 4.160 0.003 . 2 . . 761 . A 91 GLY HA3 . 34708 1 843 . 1 . 1 72 72 GLY CA C 13 47.381 0.027 . 1 . . 475 . A 91 GLY CA . 34708 1 844 . 1 . 1 72 72 GLY N N 15 119.025 0.029 . 1 . . 86 . A 91 GLY N . 34708 1 845 . 1 . 1 73 73 ARG HA H 1 4.601 0.003 . 1 . . 1225 . A 92 ARG HA . 34708 1 846 . 1 . 1 73 73 ARG HB2 H 1 1.833 0.001 . 2 . . 1168 . A 92 ARG HB2 . 34708 1 847 . 1 . 1 73 73 ARG HB3 H 1 2.161 0.016 . 2 . . 1169 . A 92 ARG HB3 . 34708 1 848 . 1 . 1 73 73 ARG HG2 H 1 1.759 0.008 . 2 . . 1228 . A 92 ARG HG2 . 34708 1 849 . 1 . 1 73 73 ARG HG3 H 1 1.757 0.007 . 2 . . 1229 . A 92 ARG HG3 . 34708 1 850 . 1 . 1 73 73 ARG HD2 H 1 3.275 0.004 . 2 . . 1226 . A 92 ARG HD2 . 34708 1 851 . 1 . 1 73 73 ARG HD3 H 1 3.276 0.004 . 2 . . 1227 . A 92 ARG HD3 . 34708 1 852 . 1 . 1 73 73 ARG C C 13 175.464 0.004 . 1 . . 472 . A 92 ARG C . 34708 1 853 . 1 . 1 73 73 ARG CA C 13 55.923 0.026 . 1 . . 468 . A 92 ARG CA . 34708 1 854 . 1 . 1 73 73 ARG CB C 13 29.916 0.021 . 1 . . 1167 . A 92 ARG CB . 34708 1 855 . 1 . 1 73 73 ARG CG C 13 27.645 0.03 . 1 . . 1223 . A 92 ARG CG . 34708 1 856 . 1 . 1 73 73 ARG CD C 13 43.386 0.016 . 1 . . 1224 . A 92 ARG CD . 34708 1 857 . 1 . 1 74 74 THR H H 1 8.134 0.029 . 1 . . 197 . A 93 THR H . 34708 1 858 . 1 . 1 74 74 THR HA H 1 4.827 0.007 . 1 . . 561 . A 93 THR HA . 34708 1 859 . 1 . 1 74 74 THR HB H 1 4.392 0.01 . 1 . . 762 . A 93 THR HB . 34708 1 860 . 1 . 1 74 74 THR HG21 H 1 1.402 0.006 . 1 . . 763 . A 93 THR HG21 . 34708 1 861 . 1 . 1 74 74 THR HG22 H 1 1.402 0.006 . 1 . . 763 . A 93 THR HG22 . 34708 1 862 . 1 . 1 74 74 THR HG23 H 1 1.402 0.006 . 1 . . 763 . A 93 THR HG23 . 34708 1 863 . 1 . 1 74 74 THR C C 13 172.291 0.007 . 1 . . 471 . A 93 THR C . 34708 1 864 . 1 . 1 74 74 THR CA C 13 61.164 0.024 . 1 . . 385 . A 93 THR CA . 34708 1 865 . 1 . 1 74 74 THR CB C 13 71.741 0.046 . 1 . . 384 . A 93 THR CB . 34708 1 866 . 1 . 1 74 74 THR CG2 C 13 22.371 0.013 . 1 . . 759 . A 93 THR CG2 . 34708 1 867 . 1 . 1 74 74 THR N N 15 113.068 0.03 . 1 . . 198 . A 93 THR N . 34708 1 868 . 1 . 1 75 75 PHE H H 1 8.575 0.014 . 1 . . 201 . A 94 PHE H . 34708 1 869 . 1 . 1 75 75 PHE HA H 1 5.314 0.006 . 1 . . 562 . A 94 PHE HA . 34708 1 870 . 1 . 1 75 75 PHE HB2 H 1 2.744 0.014 . 2 . . 765 . A 94 PHE HB2 . 34708 1 871 . 1 . 1 75 75 PHE HB3 H 1 2.515 0.008 . 2 . . 764 . A 94 PHE HB3 . 34708 1 872 . 1 . 1 75 75 PHE HD1 H 1 6.485 . . 1 . . 970 . A 94 PHE HD1 . 34708 1 873 . 1 . 1 75 75 PHE HD2 H 1 6.485 . . 1 . . 970 . A 94 PHE HD2 . 34708 1 874 . 1 . 1 75 75 PHE C C 13 173.532 0.019 . 1 . . 470 . A 94 PHE C . 34708 1 875 . 1 . 1 75 75 PHE CA C 13 56.300 0.036 . 1 . . 465 . A 94 PHE CA . 34708 1 876 . 1 . 1 75 75 PHE CB C 13 44.250 0.047 . 1 . . 466 . A 94 PHE CB . 34708 1 877 . 1 . 1 75 75 PHE CD1 C 13 132.082 0.066 . 1 . . 969 . A 94 PHE CD1 . 34708 1 878 . 1 . 1 75 75 PHE CD2 C 13 132.082 0.066 . 1 . . 969 . A 94 PHE CD2 . 34708 1 879 . 1 . 1 75 75 PHE N N 15 122.998 0.066 . 1 . . 202 . A 94 PHE N . 34708 1 880 . 1 . 1 76 76 GLY H H 1 7.816 0.003 . 1 . . 122 . A 95 GLY H . 34708 1 881 . 1 . 1 76 76 GLY HA2 H 1 4.076 0.006 . 2 . . 767 . A 95 GLY HA2 . 34708 1 882 . 1 . 1 76 76 GLY HA3 H 1 3.268 0.014 . 2 . . 766 . A 95 GLY HA3 . 34708 1 883 . 1 . 1 76 76 GLY C C 13 179.674 0.005 . 1 . . 469 . A 95 GLY C . 34708 1 884 . 1 . 1 76 76 GLY CA C 13 44.840 0.044 . 1 . . 451 . A 95 GLY CA . 34708 1 885 . 1 . 1 76 76 GLY N N 15 112.550 0.059 . 1 . . 123 . A 95 GLY N . 34708 1 886 . 1 . 1 77 77 TYR H H 1 8.855 0.002 . 1 . . 160 . A 96 TYR H . 34708 1 887 . 1 . 1 77 77 TYR HA H 1 5.482 0.023 . 1 . . 768 . A 96 TYR HA . 34708 1 888 . 1 . 1 77 77 TYR HB2 H 1 2.780 0.014 . 2 . . 1193 . A 96 TYR HB2 . 34708 1 889 . 1 . 1 77 77 TYR HB3 H 1 1.963 0.02 . 2 . . 1192 . A 96 TYR HB3 . 34708 1 890 . 1 . 1 77 77 TYR HD1 H 1 7.031 . . 1 . . 1195 . A 96 TYR HD1 . 34708 1 891 . 1 . 1 77 77 TYR HD2 H 1 7.031 . . 1 . . 1195 . A 96 TYR HD2 . 34708 1 892 . 1 . 1 77 77 TYR C C 13 177.064 . . 1 . . 501 . A 96 TYR C . 34708 1 893 . 1 . 1 77 77 TYR CA C 13 58.169 0.049 . 1 . . 467 . A 96 TYR CA . 34708 1 894 . 1 . 1 77 77 TYR CB C 13 40.377 0.021 . 1 . . 1191 . A 96 TYR CB . 34708 1 895 . 1 . 1 77 77 TYR CD1 C 13 133.339 0.003 . 1 . . 1194 . A 96 TYR CD1 . 34708 1 896 . 1 . 1 77 77 TYR CD2 C 13 133.339 0.003 . 1 . . 1194 . A 96 TYR CD2 . 34708 1 897 . 1 . 1 77 77 TYR N N 15 117.173 0.021 . 1 . . 161 . A 96 TYR N . 34708 1 898 . 1 . 1 78 78 PHE H H 1 8.786 0.017 . 1 . . 31 . A 97 PHE H . 34708 1 899 . 1 . 1 78 78 PHE HA H 1 5.001 0.013 . 1 . . 769 . A 97 PHE HA . 34708 1 900 . 1 . 1 78 78 PHE HB2 H 1 3.537 0.008 . 2 . . 771 . A 97 PHE HB2 . 34708 1 901 . 1 . 1 78 78 PHE HB3 H 1 2.618 0.006 . 2 . . 770 . A 97 PHE HB3 . 34708 1 902 . 1 . 1 78 78 PHE HD1 H 1 6.999 . . 1 . . 1316 . A 97 PHE HD1 . 34708 1 903 . 1 . 1 78 78 PHE HD2 H 1 6.999 . . 1 . . 1316 . A 97 PHE HD2 . 34708 1 904 . 1 . 1 78 78 PHE HE1 H 1 6.856 . . 1 . . 1319 . A 97 PHE HE1 . 34708 1 905 . 1 . 1 78 78 PHE HE2 H 1 6.856 . . 1 . . 1319 . A 97 PHE HE2 . 34708 1 906 . 1 . 1 78 78 PHE C C 13 179.694 . . 1 . . 500 . A 97 PHE C . 34708 1 907 . 1 . 1 78 78 PHE CA C 13 55.862 0.031 . 1 . . 498 . A 97 PHE CA . 34708 1 908 . 1 . 1 78 78 PHE CB C 13 38.930 0.042 . 1 . . 499 . A 97 PHE CB . 34708 1 909 . 1 . 1 78 78 PHE CD1 C 13 133.523 . . 1 . . 1318 . A 97 PHE CD1 . 34708 1 910 . 1 . 1 78 78 PHE CD2 C 13 133.523 . . 1 . . 1318 . A 97 PHE CD2 . 34708 1 911 . 1 . 1 78 78 PHE N N 15 112.939 0.054 . 1 . . 32 . A 97 PHE N . 34708 1 912 . 1 . 1 79 79 PRO HA H 1 4.630 0.008 . 1 . . 1039 . A 98 PRO HA . 34708 1 913 . 1 . 1 79 79 PRO HB2 H 1 2.009 0.037 . 2 . . 1205 . A 98 PRO HB2 . 34708 1 914 . 1 . 1 79 79 PRO HB3 H 1 1.997 0.046 . 2 . . 1206 . A 98 PRO HB3 . 34708 1 915 . 1 . 1 79 79 PRO HG3 H 1 1.475 0.0 . 1 . . 1369 . A 98 PRO HG3 . 34708 1 916 . 1 . 1 79 79 PRO HD2 H 1 2.768 0.004 . 2 . . 1341 . A 98 PRO HD2 . 34708 1 917 . 1 . 1 79 79 PRO HD3 H 1 2.634 0.003 . 2 . . 1342 . A 98 PRO HD3 . 34708 1 918 . 1 . 1 79 79 PRO C C 13 176.668 0.008 . 1 . . 346 . A 98 PRO C . 34708 1 919 . 1 . 1 79 79 PRO CA C 13 61.668 0.089 . 1 . . 1040 . A 98 PRO CA . 34708 1 920 . 1 . 1 79 79 PRO CB C 13 31.428 0.004 . 1 . . 357 . A 98 PRO CB . 34708 1 921 . 1 . 1 79 79 PRO CD C 13 50.309 0.043 . 1 . . 1340 . A 98 PRO CD . 34708 1 922 . 1 . 1 80 80 LYS H H 1 7.551 0.005 . 1 . . 55 . A 99 LYS H . 34708 1 923 . 1 . 1 80 80 LYS HA H 1 2.962 0.005 . 1 . . 772 . A 99 LYS HA . 34708 1 924 . 1 . 1 80 80 LYS HB2 H 1 -0.269 0.009 . 2 . . 774 . A 99 LYS HB2 . 34708 1 925 . 1 . 1 80 80 LYS HB3 H 1 0.326 0.013 . 2 . . 773 . A 99 LYS HB3 . 34708 1 926 . 1 . 1 80 80 LYS HG2 H 1 0.004 0.006 . 2 . . 777 . A 99 LYS HG2 . 34708 1 927 . 1 . 1 80 80 LYS HG3 H 1 0.414 0.01 . 2 . . 776 . A 99 LYS HG3 . 34708 1 928 . 1 . 1 80 80 LYS HD2 H 1 1.059 0.015 . 2 . . 780 . A 99 LYS HD2 . 34708 1 929 . 1 . 1 80 80 LYS HD3 H 1 1.276 0.017 . 2 . . 778 . A 99 LYS HD3 . 34708 1 930 . 1 . 1 80 80 LYS HE2 H 1 2.872 0.006 . 2 . . 782 . A 99 LYS HE2 . 34708 1 931 . 1 . 1 80 80 LYS HE3 H 1 2.761 0.003 . 2 . . 783 . A 99 LYS HE3 . 34708 1 932 . 1 . 1 80 80 LYS C C 13 176.918 0.009 . 1 . . 345 . A 99 LYS C . 34708 1 933 . 1 . 1 80 80 LYS CA C 13 58.802 0.028 . 1 . . 249 . A 99 LYS CA . 34708 1 934 . 1 . 1 80 80 LYS CB C 13 31.231 0.048 . 1 . . 250 . A 99 LYS CB . 34708 1 935 . 1 . 1 80 80 LYS CG C 13 23.662 0.021 . 1 . . 775 . A 99 LYS CG . 34708 1 936 . 1 . 1 80 80 LYS CD C 13 29.524 0.035 . 1 . . 779 . A 99 LYS CD . 34708 1 937 . 1 . 1 80 80 LYS CE C 13 42.169 0.054 . 1 . . 781 . A 99 LYS CE . 34708 1 938 . 1 . 1 80 80 LYS N N 15 127.635 0.012 . 1 . . 56 . A 99 LYS N . 34708 1 939 . 1 . 1 81 81 ASP H H 1 8.539 0.008 . 1 . . 154 . A 100 ASP H . 34708 1 940 . 1 . 1 81 81 ASP HA H 1 4.334 0.003 . 1 . . 563 . A 100 ASP HA . 34708 1 941 . 1 . 1 81 81 ASP HB2 H 1 2.741 0.012 . 2 . . 785 . A 100 ASP HB2 . 34708 1 942 . 1 . 1 81 81 ASP HB3 H 1 2.243 0.003 . 2 . . 784 . A 100 ASP HB3 . 34708 1 943 . 1 . 1 81 81 ASP C C 13 176.185 0.01 . 1 . . 347 . A 100 ASP C . 34708 1 944 . 1 . 1 81 81 ASP CA C 13 56.426 0.053 . 1 . . 247 . A 100 ASP CA . 34708 1 945 . 1 . 1 81 81 ASP CB C 13 41.156 0.059 . 1 . . 248 . A 100 ASP CB . 34708 1 946 . 1 . 1 81 81 ASP N N 15 114.188 0.033 . 1 . . 155 . A 100 ASP N . 34708 1 947 . 1 . 1 82 82 LEU H H 1 7.360 0.01 . 1 . . 203 . A 101 LEU H . 34708 1 948 . 1 . 1 82 82 LEU HA H 1 4.468 0.017 . 1 . . 564 . A 101 LEU HA . 34708 1 949 . 1 . 1 82 82 LEU HB2 H 1 2.108 0.009 . 2 . . 787 . A 101 LEU HB2 . 34708 1 950 . 1 . 1 82 82 LEU HB3 H 1 1.810 0.01 . 2 . . 786 . A 101 LEU HB3 . 34708 1 951 . 1 . 1 82 82 LEU HG H 1 1.524 0.021 . 1 . . 789 . A 101 LEU HG . 34708 1 952 . 1 . 1 82 82 LEU HD11 H 1 0.814 0.015 . 2 . . 791 . A 101 LEU HD11 . 34708 1 953 . 1 . 1 82 82 LEU HD12 H 1 0.814 0.015 . 2 . . 791 . A 101 LEU HD12 . 34708 1 954 . 1 . 1 82 82 LEU HD13 H 1 0.814 0.015 . 2 . . 791 . A 101 LEU HD13 . 34708 1 955 . 1 . 1 82 82 LEU HD21 H 1 0.850 0.015 . 2 . . 793 . A 101 LEU HD21 . 34708 1 956 . 1 . 1 82 82 LEU HD22 H 1 0.850 0.015 . 2 . . 793 . A 101 LEU HD22 . 34708 1 957 . 1 . 1 82 82 LEU HD23 H 1 0.850 0.015 . 2 . . 793 . A 101 LEU HD23 . 34708 1 958 . 1 . 1 82 82 LEU C C 13 175.492 0.01 . 1 . . 348 . A 101 LEU C . 34708 1 959 . 1 . 1 82 82 LEU CA C 13 54.727 0.132 . 1 . . 246 . A 101 LEU CA . 34708 1 960 . 1 . 1 82 82 LEU CB C 13 42.084 0.05 . 1 . . 245 . A 101 LEU CB . 34708 1 961 . 1 . 1 82 82 LEU CG C 13 28.177 0.004 . 1 . . 788 . A 101 LEU CG . 34708 1 962 . 1 . 1 82 82 LEU CD1 C 13 23.118 0.024 . 2 . . 790 . A 101 LEU CD1 . 34708 1 963 . 1 . 1 82 82 LEU CD2 C 13 26.636 0.027 . 2 . . 792 . A 101 LEU CD2 . 34708 1 964 . 1 . 1 82 82 LEU N N 15 115.946 0.023 . 1 . . 204 . A 101 LEU N . 34708 1 965 . 1 . 1 83 83 ILE H H 1 7.763 0.004 . 1 . . 11 . A 102 ILE H . 34708 1 966 . 1 . 1 83 83 ILE HA H 1 4.994 0.006 . 1 . . 565 . A 102 ILE HA . 34708 1 967 . 1 . 1 83 83 ILE HB H 1 1.330 0.004 . 1 . . 794 . A 102 ILE HB . 34708 1 968 . 1 . 1 83 83 ILE HG12 H 1 1.247 0.016 . 2 . . 798 . A 102 ILE HG12 . 34708 1 969 . 1 . 1 83 83 ILE HG13 H 1 1.249 0.017 . 2 . . 799 . A 102 ILE HG13 . 34708 1 970 . 1 . 1 83 83 ILE HG21 H 1 0.283 0.004 . 1 . . 796 . A 102 ILE HG21 . 34708 1 971 . 1 . 1 83 83 ILE HG22 H 1 0.283 0.004 . 1 . . 796 . A 102 ILE HG22 . 34708 1 972 . 1 . 1 83 83 ILE HG23 H 1 0.283 0.004 . 1 . . 796 . A 102 ILE HG23 . 34708 1 973 . 1 . 1 83 83 ILE HD11 H 1 0.769 0.008 . 1 . . 801 . A 102 ILE HD11 . 34708 1 974 . 1 . 1 83 83 ILE HD12 H 1 0.769 0.008 . 1 . . 801 . A 102 ILE HD12 . 34708 1 975 . 1 . 1 83 83 ILE HD13 H 1 0.769 0.008 . 1 . . 801 . A 102 ILE HD13 . 34708 1 976 . 1 . 1 83 83 ILE C C 13 173.698 0.001 . 1 . . 349 . A 102 ILE C . 34708 1 977 . 1 . 1 83 83 ILE CA C 13 58.684 0.021 . 1 . . 309 . A 102 ILE CA . 34708 1 978 . 1 . 1 83 83 ILE CB C 13 42.091 0.105 . 1 . . 358 . A 102 ILE CB . 34708 1 979 . 1 . 1 83 83 ILE CG1 C 13 25.970 0.047 . 1 . . 797 . A 102 ILE CG1 . 34708 1 980 . 1 . 1 83 83 ILE CG2 C 13 17.716 0.057 . 1 . . 795 . A 102 ILE CG2 . 34708 1 981 . 1 . 1 83 83 ILE CD1 C 13 14.982 0.032 . 1 . . 800 . A 102 ILE CD1 . 34708 1 982 . 1 . 1 83 83 ILE N N 15 112.008 0.031 . 1 . . 12 . A 102 ILE N . 34708 1 983 . 1 . 1 84 84 GLN H H 1 8.496 0.006 . 1 . . 103 . A 103 GLN H . 34708 1 984 . 1 . 1 84 84 GLN HA H 1 4.780 0.008 . 1 . . 566 . A 103 GLN HA . 34708 1 985 . 1 . 1 84 84 GLN HB2 H 1 1.983 0.009 . 2 . . 1232 . A 103 GLN HB2 . 34708 1 986 . 1 . 1 84 84 GLN HB3 H 1 1.980 0.01 . 2 . . 1233 . A 103 GLN HB3 . 34708 1 987 . 1 . 1 84 84 GLN HG2 H 1 2.168 0.011 . 2 . . 803 . A 103 GLN HG2 . 34708 1 988 . 1 . 1 84 84 GLN HG3 H 1 2.188 0.019 . 2 . . 804 . A 103 GLN HG3 . 34708 1 989 . 1 . 1 84 84 GLN HE21 H 1 6.808 0.007 . 1 . . 112 . A 103 GLN HE21 . 34708 1 990 . 1 . 1 84 84 GLN HE22 H 1 7.319 0.0 . 1 . . 162 . A 103 GLN HE22 . 34708 1 991 . 1 . 1 84 84 GLN C C 13 176.038 0.002 . 1 . . 350 . A 103 GLN C . 34708 1 992 . 1 . 1 84 84 GLN CA C 13 53.066 0.031 . 1 . . 307 . A 103 GLN CA . 34708 1 993 . 1 . 1 84 84 GLN CB C 13 31.316 0.021 . 1 . . 308 . A 103 GLN CB . 34708 1 994 . 1 . 1 84 84 GLN CG C 13 33.177 0.001 . 1 . . 802 . A 103 GLN CG . 34708 1 995 . 1 . 1 84 84 GLN N N 15 119.853 0.032 . 1 . . 104 . A 103 GLN N . 34708 1 996 . 1 . 1 84 84 GLN NE2 N 15 111.607 0.023 . 1 . . 113 . A 103 GLN NE2 . 34708 1 997 . 1 . 1 85 85 VAL H H 1 9.233 0.002 . 1 . . 130 . A 104 VAL H . 34708 1 998 . 1 . 1 85 85 VAL HA H 1 3.818 0.005 . 1 . . 567 . A 104 VAL HA . 34708 1 999 . 1 . 1 85 85 VAL HB H 1 1.989 0.011 . 1 . . 805 . A 104 VAL HB . 34708 1 1000 . 1 . 1 85 85 VAL HG11 H 1 0.798 0.014 . 2 . . 806 . A 104 VAL HG11 . 34708 1 1001 . 1 . 1 85 85 VAL HG12 H 1 0.798 0.014 . 2 . . 806 . A 104 VAL HG12 . 34708 1 1002 . 1 . 1 85 85 VAL HG13 H 1 0.798 0.014 . 2 . . 806 . A 104 VAL HG13 . 34708 1 1003 . 1 . 1 85 85 VAL HG21 H 1 0.946 0.016 . 2 . . 809 . A 104 VAL HG21 . 34708 1 1004 . 1 . 1 85 85 VAL HG22 H 1 0.946 0.016 . 2 . . 809 . A 104 VAL HG22 . 34708 1 1005 . 1 . 1 85 85 VAL HG23 H 1 0.946 0.016 . 2 . . 809 . A 104 VAL HG23 . 34708 1 1006 . 1 . 1 85 85 VAL C C 13 176.028 0.013 . 1 . . 351 . A 104 VAL C . 34708 1 1007 . 1 . 1 85 85 VAL CA C 13 65.632 0.016 . 1 . . 306 . A 104 VAL CA . 34708 1 1008 . 1 . 1 85 85 VAL CB C 13 31.707 0.019 . 1 . . 305 . A 104 VAL CB . 34708 1 1009 . 1 . 1 85 85 VAL CG1 C 13 21.517 0.084 . 2 . . 807 . A 104 VAL CG1 . 34708 1 1010 . 1 . 1 85 85 VAL CG2 C 13 22.590 0.046 . 2 . . 808 . A 104 VAL CG2 . 34708 1 1011 . 1 . 1 85 85 VAL N N 15 127.980 0.059 . 1 . . 131 . A 104 VAL N . 34708 1 1012 . 1 . 1 86 86 VAL H H 1 9.033 0.015 . 1 . . 173 . A 105 VAL H . 34708 1 1013 . 1 . 1 86 86 VAL HA H 1 4.508 0.005 . 1 . . 568 . A 105 VAL HA . 34708 1 1014 . 1 . 1 86 86 VAL HB H 1 2.180 0.009 . 1 . . 810 . A 105 VAL HB . 34708 1 1015 . 1 . 1 86 86 VAL HG11 H 1 0.747 0.025 . 2 . . 811 . A 105 VAL HG11 . 34708 1 1016 . 1 . 1 86 86 VAL HG12 H 1 0.747 0.025 . 2 . . 811 . A 105 VAL HG12 . 34708 1 1017 . 1 . 1 86 86 VAL HG13 H 1 0.747 0.025 . 2 . . 811 . A 105 VAL HG13 . 34708 1 1018 . 1 . 1 86 86 VAL HG21 H 1 0.844 0.017 . 2 . . 814 . A 105 VAL HG21 . 34708 1 1019 . 1 . 1 86 86 VAL HG22 H 1 0.844 0.017 . 2 . . 814 . A 105 VAL HG22 . 34708 1 1020 . 1 . 1 86 86 VAL HG23 H 1 0.844 0.017 . 2 . . 814 . A 105 VAL HG23 . 34708 1 1021 . 1 . 1 86 86 VAL C C 13 175.433 0.01 . 1 . . 352 . A 105 VAL C . 34708 1 1022 . 1 . 1 86 86 VAL CA C 13 61.599 0.059 . 1 . . 304 . A 105 VAL CA . 34708 1 1023 . 1 . 1 86 86 VAL CB C 13 33.238 0.062 . 1 . . 303 . A 105 VAL CB . 34708 1 1024 . 1 . 1 86 86 VAL CG1 C 13 19.400 0.051 . 2 . . 812 . A 105 VAL CG1 . 34708 1 1025 . 1 . 1 86 86 VAL CG2 C 13 21.392 0.018 . 2 . . 813 . A 105 VAL CG2 . 34708 1 1026 . 1 . 1 86 86 VAL N N 15 122.942 0.042 . 1 . . 174 . A 105 VAL N . 34708 1 1027 . 1 . 1 87 87 HIS H H 1 7.915 0.003 . 1 . . 37 . A 106 HIS H . 34708 1 1028 . 1 . 1 87 87 HIS HA H 1 4.613 0.003 . 1 . . 569 . A 106 HIS HA . 34708 1 1029 . 1 . 1 87 87 HIS HB2 H 1 2.916 0.003 . 2 . . 816 . A 106 HIS HB2 . 34708 1 1030 . 1 . 1 87 87 HIS HB3 H 1 2.505 0.017 . 2 . . 815 . A 106 HIS HB3 . 34708 1 1031 . 1 . 1 87 87 HIS C C 13 173.328 0.009 . 1 . . 353 . A 106 HIS C . 34708 1 1032 . 1 . 1 87 87 HIS CA C 13 57.083 0.02 . 1 . . 311 . A 106 HIS CA . 34708 1 1033 . 1 . 1 87 87 HIS CB C 13 34.929 0.061 . 1 . . 310 . A 106 HIS CB . 34708 1 1034 . 1 . 1 87 87 HIS N N 15 119.968 0.017 . 1 . . 38 . A 106 HIS N . 34708 1 1035 . 1 . 1 88 88 GLU H H 1 8.145 0.003 . 1 . . 138 . A 107 GLU H . 34708 1 1036 . 1 . 1 88 88 GLU HA H 1 4.791 0.006 . 1 . . 570 . A 107 GLU HA . 34708 1 1037 . 1 . 1 88 88 GLU HB2 H 1 1.939 0.017 . 2 . . 818 . A 107 GLU HB2 . 34708 1 1038 . 1 . 1 88 88 GLU HB3 H 1 1.940 0.016 . 2 . . 817 . A 107 GLU HB3 . 34708 1 1039 . 1 . 1 88 88 GLU HG2 H 1 2.112 0.019 . 2 . . 820 . A 107 GLU HG2 . 34708 1 1040 . 1 . 1 88 88 GLU HG3 H 1 1.988 0.008 . 2 . . 821 . A 107 GLU HG3 . 34708 1 1041 . 1 . 1 88 88 GLU C C 13 174.685 0.007 . 1 . . 354 . A 107 GLU C . 34708 1 1042 . 1 . 1 88 88 GLU CA C 13 54.916 0.017 . 1 . . 313 . A 107 GLU CA . 34708 1 1043 . 1 . 1 88 88 GLU CB C 13 30.721 0.024 . 1 . . 312 . A 107 GLU CB . 34708 1 1044 . 1 . 1 88 88 GLU CG C 13 36.627 0.022 . 1 . . 819 . A 107 GLU CG . 34708 1 1045 . 1 . 1 88 88 GLU N N 15 127.040 0.02 . 1 . . 139 . A 107 GLU N . 34708 1 1046 . 1 . 1 89 89 TYR H H 1 8.672 0.003 . 1 . . 189 . A 108 TYR H . 34708 1 1047 . 1 . 1 89 89 TYR HA H 1 4.238 0.028 . 1 . . 571 . A 108 TYR HA . 34708 1 1048 . 1 . 1 89 89 TYR HB2 H 1 2.686 0.006 . 2 . . 823 . A 108 TYR HB2 . 34708 1 1049 . 1 . 1 89 89 TYR HB3 H 1 3.089 0.007 . 2 . . 822 . A 108 TYR HB3 . 34708 1 1050 . 1 . 1 89 89 TYR HD1 H 1 6.976 . . 1 . . 971 . A 108 TYR HD1 . 34708 1 1051 . 1 . 1 89 89 TYR HD2 H 1 6.976 . . 1 . . 971 . A 108 TYR HD2 . 34708 1 1052 . 1 . 1 89 89 TYR HE1 H 1 6.819 . . 1 . . 974 . A 108 TYR HE1 . 34708 1 1053 . 1 . 1 89 89 TYR HE2 H 1 6.819 . . 1 . . 974 . A 108 TYR HE2 . 34708 1 1054 . 1 . 1 89 89 TYR C C 13 176.094 0.012 . 1 . . 355 . A 108 TYR C . 34708 1 1055 . 1 . 1 89 89 TYR CA C 13 60.821 0.019 . 1 . . 315 . A 108 TYR CA . 34708 1 1056 . 1 . 1 89 89 TYR CB C 13 38.686 0.049 . 1 . . 314 . A 108 TYR CB . 34708 1 1057 . 1 . 1 89 89 TYR CD1 C 13 133.786 0.069 . 1 . . 972 . A 108 TYR CD1 . 34708 1 1058 . 1 . 1 89 89 TYR CD2 C 13 133.786 0.069 . 1 . . 972 . A 108 TYR CD2 . 34708 1 1059 . 1 . 1 89 89 TYR CE1 C 13 119.013 0.077 . 1 . . 973 . A 108 TYR CE1 . 34708 1 1060 . 1 . 1 89 89 TYR CE2 C 13 119.013 0.077 . 1 . . 973 . A 108 TYR CE2 . 34708 1 1061 . 1 . 1 89 89 TYR N N 15 122.753 0.036 . 1 . . 190 . A 108 TYR N . 34708 1 1062 . 1 . 1 90 90 THR H H 1 7.571 0.007 . 1 . . 126 . A 109 THR H . 34708 1 1063 . 1 . 1 90 90 THR HA H 1 4.655 0.016 . 1 . . 572 . A 109 THR HA . 34708 1 1064 . 1 . 1 90 90 THR HB H 1 4.332 0.002 . 1 . . 824 . A 109 THR HB . 34708 1 1065 . 1 . 1 90 90 THR HG21 H 1 1.216 0.006 . 1 . . 826 . A 109 THR HG21 . 34708 1 1066 . 1 . 1 90 90 THR HG22 H 1 1.216 0.006 . 1 . . 826 . A 109 THR HG22 . 34708 1 1067 . 1 . 1 90 90 THR HG23 H 1 1.216 0.006 . 1 . . 826 . A 109 THR HG23 . 34708 1 1068 . 1 . 1 90 90 THR C C 13 172.299 0.002 . 1 . . 356 . A 109 THR C . 34708 1 1069 . 1 . 1 90 90 THR CA C 13 59.459 0.04 . 1 . . 359 . A 109 THR CA . 34708 1 1070 . 1 . 1 90 90 THR CB C 13 69.127 0.1 . 1 . . 360 . A 109 THR CB . 34708 1 1071 . 1 . 1 90 90 THR CG2 C 13 20.676 0.036 . 1 . . 825 . A 109 THR CG2 . 34708 1 1072 . 1 . 1 90 90 THR N N 15 110.818 0.039 . 1 . . 127 . A 109 THR N . 34708 1 1073 . 1 . 1 91 91 LYS H H 1 8.600 0.01 . 1 . . 375 . A 110 LYS H . 34708 1 1074 . 1 . 1 91 91 LYS HA H 1 4.598 0.014 . 1 . . 641 . A 110 LYS HA . 34708 1 1075 . 1 . 1 91 91 LYS HB2 H 1 1.701 0.012 . 2 . . 1179 . A 110 LYS HB2 . 34708 1 1076 . 1 . 1 91 91 LYS HB3 H 1 1.992 0.014 . 2 . . 1180 . A 110 LYS HB3 . 34708 1 1077 . 1 . 1 91 91 LYS HG2 H 1 1.443 0.005 . 2 . . 1176 . A 110 LYS HG2 . 34708 1 1078 . 1 . 1 91 91 LYS HG3 H 1 1.445 0.003 . 2 . . 1185 . A 110 LYS HG3 . 34708 1 1079 . 1 . 1 91 91 LYS HD2 H 1 1.694 0.002 . 2 . . 1182 . A 110 LYS HD2 . 34708 1 1080 . 1 . 1 91 91 LYS HD3 H 1 1.694 0.003 . 2 . . 1186 . A 110 LYS HD3 . 34708 1 1081 . 1 . 1 91 91 LYS HE2 H 1 3.019 0.006 . 2 . . 1184 . A 110 LYS HE2 . 34708 1 1082 . 1 . 1 91 91 LYS HE3 H 1 3.017 0.006 . 2 . . 1187 . A 110 LYS HE3 . 34708 1 1083 . 1 . 1 91 91 LYS C C 13 176.629 0.009 . 1 . . 377 . A 110 LYS C . 34708 1 1084 . 1 . 1 91 91 LYS CA C 13 55.677 0.082 . 1 . . 1175 . A 110 LYS CA . 34708 1 1085 . 1 . 1 91 91 LYS CB C 13 33.188 0.03 . 1 . . 1178 . A 110 LYS CB . 34708 1 1086 . 1 . 1 91 91 LYS CG C 13 24.730 0.052 . 1 . . 1177 . A 110 LYS CG . 34708 1 1087 . 1 . 1 91 91 LYS CD C 13 29.017 0.076 . 1 . . 1181 . A 110 LYS CD . 34708 1 1088 . 1 . 1 91 91 LYS CE C 13 42.368 0.0 . 1 . . 1183 . A 110 LYS CE . 34708 1 1089 . 1 . 1 91 91 LYS N N 15 123.649 0.106 . 1 . . 376 . A 110 LYS N . 34708 1 1090 . 1 . 1 92 92 GLU H H 1 8.219 0.026 . 1 . . 53 . A 111 GLU H . 34708 1 1091 . 1 . 1 92 92 GLU HA H 1 4.252 0.005 . 1 . . 573 . A 111 GLU HA . 34708 1 1092 . 1 . 1 92 92 GLU HB2 H 1 1.982 0.019 . 2 . . 1170 . A 111 GLU HB2 . 34708 1 1093 . 1 . 1 92 92 GLU HB3 H 1 1.984 0.021 . 2 . . 1171 . A 111 GLU HB3 . 34708 1 1094 . 1 . 1 92 92 GLU HG2 H 1 2.253 0.006 . 2 . . 1172 . A 111 GLU HG2 . 34708 1 1095 . 1 . 1 92 92 GLU HG3 H 1 2.253 0.005 . 2 . . 1174 . A 111 GLU HG3 . 34708 1 1096 . 1 . 1 92 92 GLU C C 13 175.336 0.007 . 1 . . 378 . A 111 GLU C . 34708 1 1097 . 1 . 1 92 92 GLU CA C 13 56.588 0.029 . 1 . . 380 . A 111 GLU CA . 34708 1 1098 . 1 . 1 92 92 GLU CB C 13 31.149 0.053 . 1 . . 379 . A 111 GLU CB . 34708 1 1099 . 1 . 1 92 92 GLU CG C 13 36.448 0.0 . 1 . . 1173 . A 111 GLU CG . 34708 1 1100 . 1 . 1 92 92 GLU N N 15 121.824 0.022 . 1 . . 54 . A 111 GLU N . 34708 1 1101 . 1 . 1 93 93 GLU H H 1 8.257 0.003 . 1 . . 105 . A 112 GLU H . 34708 1 1102 . 1 . 1 93 93 GLU HA H 1 4.645 0.005 . 1 . . 574 . A 112 GLU HA . 34708 1 1103 . 1 . 1 93 93 GLU HB2 H 1 1.769 0.007 . 2 . . 827 . A 112 GLU HB2 . 34708 1 1104 . 1 . 1 93 93 GLU HB3 H 1 1.770 0.007 . 2 . . 828 . A 112 GLU HB3 . 34708 1 1105 . 1 . 1 93 93 GLU HG2 H 1 2.024 0.008 . 2 . . 831 . A 112 GLU HG2 . 34708 1 1106 . 1 . 1 93 93 GLU HG3 H 1 1.893 0.001 . 2 . . 830 . A 112 GLU HG3 . 34708 1 1107 . 1 . 1 93 93 GLU C C 13 174.585 0.008 . 1 . . 388 . A 112 GLU C . 34708 1 1108 . 1 . 1 93 93 GLU CA C 13 55.473 0.042 . 1 . . 392 . A 112 GLU CA . 34708 1 1109 . 1 . 1 93 93 GLU CB C 13 33.101 0.085 . 1 . . 381 . A 112 GLU CB . 34708 1 1110 . 1 . 1 93 93 GLU CG C 13 36.626 0.008 . 1 . . 829 . A 112 GLU CG . 34708 1 1111 . 1 . 1 93 93 GLU N N 15 120.053 0.023 . 1 . . 106 . A 112 GLU N . 34708 1 1112 . 1 . 1 94 94 LEU H H 1 9.470 0.008 . 1 . . 156 . A 113 LEU H . 34708 1 1113 . 1 . 1 94 94 LEU HA H 1 4.575 0.006 . 1 . . 575 . A 113 LEU HA . 34708 1 1114 . 1 . 1 94 94 LEU HB2 H 1 1.420 0.019 . 2 . . 833 . A 113 LEU HB2 . 34708 1 1115 . 1 . 1 94 94 LEU HB3 H 1 1.357 0.021 . 2 . . 832 . A 113 LEU HB3 . 34708 1 1116 . 1 . 1 94 94 LEU HG H 1 1.460 0.017 . 1 . . 835 . A 113 LEU HG . 34708 1 1117 . 1 . 1 94 94 LEU HD11 H 1 0.729 0.011 . 2 . . 664 . A 113 LEU HD11 . 34708 1 1118 . 1 . 1 94 94 LEU HD12 H 1 0.729 0.011 . 2 . . 664 . A 113 LEU HD12 . 34708 1 1119 . 1 . 1 94 94 LEU HD13 H 1 0.729 0.011 . 2 . . 664 . A 113 LEU HD13 . 34708 1 1120 . 1 . 1 94 94 LEU HD21 H 1 0.752 0.006 . 2 . . 666 . A 113 LEU HD21 . 34708 1 1121 . 1 . 1 94 94 LEU HD22 H 1 0.752 0.006 . 2 . . 666 . A 113 LEU HD22 . 34708 1 1122 . 1 . 1 94 94 LEU HD23 H 1 0.752 0.006 . 2 . . 666 . A 113 LEU HD23 . 34708 1 1123 . 1 . 1 94 94 LEU C C 13 175.396 0.002 . 1 . . 389 . A 113 LEU C . 34708 1 1124 . 1 . 1 94 94 LEU CA C 13 53.931 0.037 . 1 . . 382 . A 113 LEU CA . 34708 1 1125 . 1 . 1 94 94 LEU CB C 13 44.105 0.065 . 1 . . 383 . A 113 LEU CB . 34708 1 1126 . 1 . 1 94 94 LEU CG C 13 27.372 0.006 . 1 . . 834 . A 113 LEU CG . 34708 1 1127 . 1 . 1 94 94 LEU CD1 C 13 25.065 0.027 . 2 . . 665 . A 113 LEU CD1 . 34708 1 1128 . 1 . 1 94 94 LEU CD2 C 13 24.592 0.086 . 2 . . 663 . A 113 LEU CD2 . 34708 1 1129 . 1 . 1 94 94 LEU N N 15 126.308 0.027 . 1 . . 157 . A 113 LEU N . 34708 1 1130 . 1 . 1 95 95 GLN H H 1 8.563 0.009 . 1 . . 208 . A 114 GLN H . 34708 1 1131 . 1 . 1 95 95 GLN HA H 1 4.967 0.006 . 1 . . 576 . A 114 GLN HA . 34708 1 1132 . 1 . 1 95 95 GLN HB2 H 1 1.862 0.013 . 2 . . 836 . A 114 GLN HB2 . 34708 1 1133 . 1 . 1 95 95 GLN HB3 H 1 1.862 0.012 . 2 . . 837 . A 114 GLN HB3 . 34708 1 1134 . 1 . 1 95 95 GLN HG2 H 1 1.976 0.026 . 2 . . 839 . A 114 GLN HG2 . 34708 1 1135 . 1 . 1 95 95 GLN HG3 H 1 1.988 0.014 . 2 . . 840 . A 114 GLN HG3 . 34708 1 1136 . 1 . 1 95 95 GLN HE21 H 1 6.763 0.001 . 1 . . 175 . A 114 GLN HE21 . 34708 1 1137 . 1 . 1 95 95 GLN HE22 H 1 6.477 0.002 . 1 . . 185 . A 114 GLN HE22 . 34708 1 1138 . 1 . 1 95 95 GLN C C 13 175.493 0.003 . 1 . . 390 . A 114 GLN C . 34708 1 1139 . 1 . 1 95 95 GLN CA C 13 55.923 0.029 . 1 . . 387 . A 114 GLN CA . 34708 1 1140 . 1 . 1 95 95 GLN CB C 13 30.070 0.049 . 1 . . 386 . A 114 GLN CB . 34708 1 1141 . 1 . 1 95 95 GLN CG C 13 35.155 0.014 . 1 . . 838 . A 114 GLN CG . 34708 1 1142 . 1 . 1 95 95 GLN N N 15 122.568 0.045 . 1 . . 209 . A 114 GLN N . 34708 1 1143 . 1 . 1 95 95 GLN NE2 N 15 110.203 0.039 . 1 . . 186 . A 114 GLN NE2 . 34708 1 1144 . 1 . 1 96 96 VAL H H 1 9.425 0.008 . 1 . . 69 . A 115 VAL H . 34708 1 1145 . 1 . 1 96 96 VAL HA H 1 4.779 0.006 . 1 . . 577 . A 115 VAL HA . 34708 1 1146 . 1 . 1 96 96 VAL HB H 1 1.895 0.007 . 1 . . 845 . A 115 VAL HB . 34708 1 1147 . 1 . 1 96 96 VAL HG11 H 1 1.070 0.005 . 2 . . 842 . A 115 VAL HG11 . 34708 1 1148 . 1 . 1 96 96 VAL HG12 H 1 1.070 0.005 . 2 . . 842 . A 115 VAL HG12 . 34708 1 1149 . 1 . 1 96 96 VAL HG13 H 1 1.070 0.005 . 2 . . 842 . A 115 VAL HG13 . 34708 1 1150 . 1 . 1 96 96 VAL HG21 H 1 0.912 0.009 . 2 . . 844 . A 115 VAL HG21 . 34708 1 1151 . 1 . 1 96 96 VAL HG22 H 1 0.912 0.009 . 2 . . 844 . A 115 VAL HG22 . 34708 1 1152 . 1 . 1 96 96 VAL HG23 H 1 0.912 0.009 . 2 . . 844 . A 115 VAL HG23 . 34708 1 1153 . 1 . 1 96 96 VAL C C 13 173.545 . . 1 . . 391 . A 115 VAL C . 34708 1 1154 . 1 . 1 96 96 VAL CA C 13 59.486 0.03 . 1 . . 394 . A 115 VAL CA . 34708 1 1155 . 1 . 1 96 96 VAL CB C 13 36.406 0.045 . 1 . . 393 . A 115 VAL CB . 34708 1 1156 . 1 . 1 96 96 VAL CG1 C 13 21.007 0.029 . 2 . . 843 . A 115 VAL CG1 . 34708 1 1157 . 1 . 1 96 96 VAL CG2 C 13 20.947 0.053 . 2 . . 841 . A 115 VAL CG2 . 34708 1 1158 . 1 . 1 96 96 VAL N N 15 129.162 0.024 . 1 . . 70 . A 115 VAL N . 34708 1 1159 . 1 . 1 97 97 PRO HA H 1 4.842 0.009 . 1 . . 1061 . A 116 PRO HA . 34708 1 1160 . 1 . 1 97 97 PRO HB2 H 1 2.407 0.003 . 2 . . 713 . A 116 PRO HB3 . 34708 1 1161 . 1 . 1 97 97 PRO HB3 H 1 1.953 0.006 . 2 . . 1109 . A 116 PRO HB3 . 34708 1 1162 . 1 . 1 97 97 PRO HG2 H 1 2.109 0.017 . 2 . . 1110 . A 116 PRO HG3 . 34708 1 1163 . 1 . 1 97 97 PRO HG3 H 1 2.105 0.013 . 2 . . 1248 . A 116 PRO HG3 . 34708 1 1164 . 1 . 1 97 97 PRO HD2 H 1 4.028 0.011 . 2 . . 1190 . A 116 PRO HD3 . 34708 1 1165 . 1 . 1 97 97 PRO HD3 H 1 3.826 0.002 . 2 . . 1249 . A 116 PRO HD3 . 34708 1 1166 . 1 . 1 97 97 PRO C C 13 177.670 0.002 . 1 . . 428 . A 116 PRO C . 34708 1 1167 . 1 . 1 97 97 PRO CA C 13 63.540 0.086 . 1 . . 1060 . A 116 PRO CA . 34708 1 1168 . 1 . 1 97 97 PRO CB C 13 32.468 0.046 . 1 . . 424 . A 116 PRO CB . 34708 1 1169 . 1 . 1 97 97 PRO CG C 13 28.119 0.045 . 1 . . 1207 . A 116 PRO CG . 34708 1 1170 . 1 . 1 97 97 PRO CD C 13 51.304 0.025 . 1 . . 1189 . A 116 PRO CD . 34708 1 1171 . 1 . 1 98 98 THR H H 1 7.849 0.011 . 1 . . 51 . A 117 THR H . 34708 1 1172 . 1 . 1 98 98 THR HA H 1 4.530 0.01 . 1 . . 578 . A 117 THR HA . 34708 1 1173 . 1 . 1 98 98 THR HB H 1 4.579 0.008 . 1 . . 1098 . A 117 THR HB . 34708 1 1174 . 1 . 1 98 98 THR HG21 H 1 1.017 0.004 . 1 . . 1096 . A 117 THR HG21 . 34708 1 1175 . 1 . 1 98 98 THR HG22 H 1 1.017 0.004 . 1 . . 1096 . A 117 THR HG22 . 34708 1 1176 . 1 . 1 98 98 THR HG23 H 1 1.017 0.004 . 1 . . 1096 . A 117 THR HG23 . 34708 1 1177 . 1 . 1 98 98 THR C C 13 174.289 0.009 . 1 . . 427 . A 117 THR C . 34708 1 1178 . 1 . 1 98 98 THR CA C 13 59.905 0.02 . 1 . . 319 . A 117 THR CA . 34708 1 1179 . 1 . 1 98 98 THR CB C 13 71.510 0.054 . 1 . . 318 . A 117 THR CB . 34708 1 1180 . 1 . 1 98 98 THR CG2 C 13 22.393 0.051 . 1 . . 1097 . A 117 THR CG2 . 34708 1 1181 . 1 . 1 98 98 THR N N 15 111.090 0.044 . 1 . . 52 . A 117 THR N . 34708 1 1182 . 1 . 1 99 99 ASP H H 1 8.998 0.009 . 1 . . 81 . A 118 ASP H . 34708 1 1183 . 1 . 1 99 99 ASP HA H 1 4.838 0.01 . 1 . . 579 . A 118 ASP HA . 34708 1 1184 . 1 . 1 99 99 ASP HB2 H 1 2.877 0.005 . 2 . . 847 . A 118 ASP HB2 . 34708 1 1185 . 1 . 1 99 99 ASP HB3 H 1 2.631 0.011 . 2 . . 846 . A 118 ASP HB3 . 34708 1 1186 . 1 . 1 99 99 ASP C C 13 176.975 0.006 . 1 . . 429 . A 118 ASP C . 34708 1 1187 . 1 . 1 99 99 ASP CA C 13 52.887 0.015 . 1 . . 317 . A 118 ASP CA . 34708 1 1188 . 1 . 1 99 99 ASP CB C 13 44.029 0.052 . 1 . . 316 . A 118 ASP CB . 34708 1 1189 . 1 . 1 99 99 ASP N N 15 120.344 0.028 . 1 . . 82 . A 118 ASP N . 34708 1 1190 . 1 . 1 100 100 GLU H H 1 9.066 0.004 . 1 . . 57 . A 119 GLU H . 34708 1 1191 . 1 . 1 100 100 GLU HA H 1 4.125 0.005 . 1 . . 580 . A 119 GLU HA . 34708 1 1192 . 1 . 1 100 100 GLU HB2 H 1 2.099 0.017 . 2 . . 848 . A 119 GLU HB2 . 34708 1 1193 . 1 . 1 100 100 GLU HB3 H 1 2.125 0.016 . 2 . . 849 . A 119 GLU HB3 . 34708 1 1194 . 1 . 1 100 100 GLU HG2 H 1 2.359 0.002 . 2 . . 851 . A 119 GLU HG2 . 34708 1 1195 . 1 . 1 100 100 GLU HG3 H 1 2.359 0.002 . 2 . . 852 . A 119 GLU HG3 . 34708 1 1196 . 1 . 1 100 100 GLU C C 13 179.041 0.016 . 1 . . 430 . A 119 GLU C . 34708 1 1197 . 1 . 1 100 100 GLU CA C 13 60.293 0.021 . 1 . . 401 . A 119 GLU CA . 34708 1 1198 . 1 . 1 100 100 GLU CB C 13 29.346 0.041 . 1 . . 402 . A 119 GLU CB . 34708 1 1199 . 1 . 1 100 100 GLU CG C 13 36.577 0.0 . 1 . . 850 . A 119 GLU CG . 34708 1 1200 . 1 . 1 100 100 GLU N N 15 119.465 0.02 . 1 . . 58 . A 119 GLU N . 34708 1 1201 . 1 . 1 101 101 THR H H 1 8.469 0.003 . 1 . . 118 . A 120 THR H . 34708 1 1202 . 1 . 1 101 101 THR HA H 1 4.070 0.011 . 1 . . 581 . A 120 THR HA . 34708 1 1203 . 1 . 1 101 101 THR HB H 1 4.330 0.003 . 1 . . 853 . A 120 THR HB . 34708 1 1204 . 1 . 1 101 101 THR HG21 H 1 1.246 0.005 . 1 . . 855 . A 120 THR HG21 . 34708 1 1205 . 1 . 1 101 101 THR HG22 H 1 1.246 0.005 . 1 . . 855 . A 120 THR HG22 . 34708 1 1206 . 1 . 1 101 101 THR HG23 H 1 1.246 0.005 . 1 . . 855 . A 120 THR HG23 . 34708 1 1207 . 1 . 1 101 101 THR C C 13 175.018 0.011 . 1 . . 431 . A 120 THR C . 34708 1 1208 . 1 . 1 101 101 THR CA C 13 64.099 0.036 . 1 . . 418 . A 120 THR CA . 34708 1 1209 . 1 . 1 101 101 THR CB C 13 68.773 0.031 . 1 . . 417 . A 120 THR CB . 34708 1 1210 . 1 . 1 101 101 THR CG2 C 13 22.103 0.018 . 1 . . 854 . A 120 THR CG2 . 34708 1 1211 . 1 . 1 101 101 THR N N 15 110.890 0.047 . 1 . . 119 . A 120 THR N . 34708 1 1212 . 1 . 1 102 102 ASP H H 1 7.652 0.018 . 1 . . 150 . A 121 ASP H . 34708 1 1213 . 1 . 1 102 102 ASP HA H 1 4.698 0.005 . 1 . . 582 . A 121 ASP HA . 34708 1 1214 . 1 . 1 102 102 ASP HB2 H 1 2.396 0.003 . 2 . . 857 . A 121 ASP HB2 . 34708 1 1215 . 1 . 1 102 102 ASP HB3 H 1 1.998 0.021 . 2 . . 856 . A 121 ASP HB3 . 34708 1 1216 . 1 . 1 102 102 ASP C C 13 176.689 . . 1 . . 432 . A 121 ASP C . 34708 1 1217 . 1 . 1 102 102 ASP CA C 13 55.842 0.026 . 1 . . 425 . A 121 ASP CA . 34708 1 1218 . 1 . 1 102 102 ASP CB C 13 41.284 0.035 . 1 . . 426 . A 121 ASP CB . 34708 1 1219 . 1 . 1 102 102 ASP N N 15 117.818 0.044 . 1 . . 151 . A 121 ASP N . 34708 1 1220 . 1 . 1 103 103 PHE H H 1 7.800 0.003 . 1 . . 120 . A 122 PHE H . 34708 1 1221 . 1 . 1 103 103 PHE HA H 1 4.692 0.027 . 1 . . 1056 . A 122 PHE HA . 34708 1 1222 . 1 . 1 103 103 PHE HB2 H 1 3.054 0.002 . 2 . . 1058 . A 122 PHE HB3 . 34708 1 1223 . 1 . 1 103 103 PHE HB3 H 1 3.054 0.002 . 2 . . 1322 . A 122 PHE HB3 . 34708 1 1224 . 1 . 1 103 103 PHE HD1 H 1 6.923 . . 1 . . 1323 . A 122 PHE HD1 . 34708 1 1225 . 1 . 1 103 103 PHE HD2 H 1 6.923 . . 1 . . 1323 . A 122 PHE HD2 . 34708 1 1226 . 1 . 1 103 103 PHE HE1 H 1 7.329 0.0 . 1 . . 1368 . A 122 PHE HE1 . 34708 1 1227 . 1 . 1 103 103 PHE HE2 H 1 7.329 0.0 . 1 . . 1368 . A 122 PHE HE2 . 34708 1 1228 . 1 . 1 103 103 PHE CA C 13 56.598 0.014 . 1 . . 1057 . A 122 PHE CA . 34708 1 1229 . 1 . 1 103 103 PHE CB C 13 31.684 0.026 . 1 . . 1059 . A 122 PHE CB . 34708 1 1230 . 1 . 1 103 103 PHE N N 15 118.163 0.051 . 1 . . 121 . A 122 PHE N . 34708 1 1231 . 1 . 1 104 104 VAL H H 1 6.615 0.012 . 1 . . 1320 . A 123 VAL H . 34708 1 1232 . 1 . 1 104 104 VAL HA H 1 4.375 0.008 . 1 . . 1084 . A 123 VAL HA . 34708 1 1233 . 1 . 1 104 104 VAL HB H 1 2.090 0.007 . 1 . . 1082 . A 123 VAL HB . 34708 1 1234 . 1 . 1 104 104 VAL HG11 H 1 0.542 0.007 . 2 . . 1080 . A 123 VAL HG11 . 34708 1 1235 . 1 . 1 104 104 VAL HG12 H 1 0.542 0.007 . 2 . . 1080 . A 123 VAL HG12 . 34708 1 1236 . 1 . 1 104 104 VAL HG13 H 1 0.542 0.007 . 2 . . 1080 . A 123 VAL HG13 . 34708 1 1237 . 1 . 1 104 104 VAL HG21 H 1 0.894 0.012 . 2 . . 1086 . A 123 VAL HG21 . 34708 1 1238 . 1 . 1 104 104 VAL HG22 H 1 0.894 0.012 . 2 . . 1086 . A 123 VAL HG22 . 34708 1 1239 . 1 . 1 104 104 VAL HG23 H 1 0.894 0.012 . 2 . . 1086 . A 123 VAL HG23 . 34708 1 1240 . 1 . 1 104 104 VAL C C 13 174.274 . . 1 . . 504 . A 123 VAL C . 34708 1 1241 . 1 . 1 104 104 VAL CA C 13 59.731 0.142 . 1 . . 1085 . A 123 VAL CA . 34708 1 1242 . 1 . 1 104 104 VAL CB C 13 33.512 0.071 . 1 . . 1083 . A 123 VAL CB . 34708 1 1243 . 1 . 1 104 104 VAL CG1 C 13 18.340 0.01 . 2 . . 1081 . A 123 VAL CG1 . 34708 1 1244 . 1 . 1 104 104 VAL CG2 C 13 21.690 0.048 . 2 . . 1087 . A 123 VAL CG2 . 34708 1 1245 . 1 . 1 104 104 VAL N N 15 113.686 0.036 . 1 . . 1321 . A 123 VAL N . 34708 1 1246 . 1 . 1 105 105 CYS H H 1 8.172 0.018 . 1 . . 114 . A 124 CYS H . 34708 1 1247 . 1 . 1 105 105 CYS HA H 1 4.467 0.01 . 1 . . 858 . A 124 CYS HA . 34708 1 1248 . 1 . 1 105 105 CYS HB2 H 1 3.191 0.016 . 2 . . 860 . A 124 CYS HB2 . 34708 1 1249 . 1 . 1 105 105 CYS HB3 H 1 3.218 0.009 . 2 . . 861 . A 124 CYS HB3 . 34708 1 1250 . 1 . 1 105 105 CYS C C 13 174.952 0.008 . 1 . . 442 . A 124 CYS C . 34708 1 1251 . 1 . 1 105 105 CYS CA C 13 55.343 0.028 . 1 . . 503 . A 124 CYS CA . 34708 1 1252 . 1 . 1 105 105 CYS CB C 13 38.226 0.04 . 1 . . 859 . A 124 CYS CB . 34708 1 1253 . 1 . 1 105 105 CYS N N 15 115.344 0.065 . 1 . . 115 . A 124 CYS N . 34708 1 1254 . 1 . 1 106 106 PHE H H 1 8.474 0.006 . 1 . . 177 . A 125 PHE H . 34708 1 1255 . 1 . 1 106 106 PHE HA H 1 4.529 0.004 . 1 . . 862 . A 125 PHE HA . 34708 1 1256 . 1 . 1 106 106 PHE HB2 H 1 3.212 0.019 . 2 . . 863 . A 125 PHE HB2 . 34708 1 1257 . 1 . 1 106 106 PHE HB3 H 1 3.285 0.04 . 2 . . 864 . A 125 PHE HB3 . 34708 1 1258 . 1 . 1 106 106 PHE HD1 H 1 7.385 . . 1 . . 976 . A 125 PHE HD1 . 34708 1 1259 . 1 . 1 106 106 PHE HD2 H 1 7.385 . . 1 . . 976 . A 125 PHE HD2 . 34708 1 1260 . 1 . 1 106 106 PHE C C 13 175.787 0.003 . 1 . . 441 . A 125 PHE C . 34708 1 1261 . 1 . 1 106 106 PHE CA C 13 59.136 0.03 . 1 . . 435 . A 125 PHE CA . 34708 1 1262 . 1 . 1 106 106 PHE CB C 13 39.867 0.045 . 1 . . 436 . A 125 PHE CB . 34708 1 1263 . 1 . 1 106 106 PHE CD1 C 13 132.343 0.079 . 1 . . 975 . A 125 PHE CD1 . 34708 1 1264 . 1 . 1 106 106 PHE CD2 C 13 132.343 0.079 . 1 . . 975 . A 125 PHE CD2 . 34708 1 1265 . 1 . 1 106 106 PHE N N 15 124.865 0.057 . 1 . . 178 . A 125 PHE N . 34708 1 1266 . 1 . 1 107 107 ASP H H 1 8.509 0.005 . 1 . . 433 . A 126 ASP H . 34708 1 1267 . 1 . 1 107 107 ASP HA H 1 4.757 0.017 . 1 . . 583 . A 126 ASP HA . 34708 1 1268 . 1 . 1 107 107 ASP HB2 H 1 2.781 0.006 . 2 . . 865 . A 126 ASP HB2 . 34708 1 1269 . 1 . 1 107 107 ASP HB3 H 1 2.783 0.005 . 2 . . 866 . A 126 ASP HB3 . 34708 1 1270 . 1 . 1 107 107 ASP C C 13 176.617 0.002 . 1 . . 443 . A 126 ASP C . 34708 1 1271 . 1 . 1 107 107 ASP CA C 13 54.125 0.01 . 1 . . 437 . A 126 ASP CA . 34708 1 1272 . 1 . 1 107 107 ASP CB C 13 41.656 0.054 . 1 . . 438 . A 126 ASP CB . 34708 1 1273 . 1 . 1 107 107 ASP N N 15 121.815 0.037 . 1 . . 434 . A 126 ASP N . 34708 1 1274 . 1 . 1 108 108 GLY H H 1 8.211 0.005 . 1 . . 13 . A 127 GLY H . 34708 1 1275 . 1 . 1 108 108 GLY HA2 H 1 4.024 0.001 . 2 . . 584 . A 127 GLY HA2 . 34708 1 1276 . 1 . 1 108 108 GLY HA3 H 1 4.024 0.001 . 2 . . 585 . A 127 GLY HA3 . 34708 1 1277 . 1 . 1 108 108 GLY C C 13 174.789 0.004 . 1 . . 444 . A 127 GLY C . 34708 1 1278 . 1 . 1 108 108 GLY CA C 13 45.622 0.038 . 1 . . 439 . A 127 GLY CA . 34708 1 1279 . 1 . 1 108 108 GLY N N 15 109.494 0.018 . 1 . . 14 . A 127 GLY N . 34708 1 1280 . 1 . 1 109 109 GLY H H 1 8.459 0.003 . 1 . . 33 . A 128 GLY H . 34708 1 1281 . 1 . 1 109 109 GLY HA2 H 1 3.995 0.009 . 2 . . 586 . A 128 GLY HA2 . 34708 1 1282 . 1 . 1 109 109 GLY HA3 H 1 3.996 0.008 . 2 . . 587 . A 128 GLY HA3 . 34708 1 1283 . 1 . 1 109 109 GLY C C 13 174.080 0.008 . 1 . . 445 . A 128 GLY C . 34708 1 1284 . 1 . 1 109 109 GLY CA C 13 45.458 0.044 . 1 . . 440 . A 128 GLY CA . 34708 1 1285 . 1 . 1 109 109 GLY N N 15 108.877 0.012 . 1 . . 34 . A 128 GLY N . 34708 1 1286 . 1 . 1 110 110 ARG H H 1 8.188 0.002 . 1 . . 3 . A 129 ARG H . 34708 1 1287 . 1 . 1 110 110 ARG HA H 1 4.417 0.014 . 1 . . 588 . A 129 ARG HA . 34708 1 1288 . 1 . 1 110 110 ARG HB2 H 1 1.899 0.023 . 2 . . 868 . A 129 ARG HB2 . 34708 1 1289 . 1 . 1 110 110 ARG HB3 H 1 1.802 0.019 . 2 . . 867 . A 129 ARG HB3 . 34708 1 1290 . 1 . 1 110 110 ARG HG2 H 1 1.629 0.015 . 2 . . 870 . A 129 ARG HG2 . 34708 1 1291 . 1 . 1 110 110 ARG HG3 H 1 1.630 0.015 . 2 . . 871 . A 129 ARG HG3 . 34708 1 1292 . 1 . 1 110 110 ARG HD2 H 1 3.196 0.003 . 2 . . 873 . A 129 ARG HD2 . 34708 1 1293 . 1 . 1 110 110 ARG HD3 H 1 3.197 0.003 . 2 . . 874 . A 129 ARG HD3 . 34708 1 1294 . 1 . 1 110 110 ARG C C 13 175.993 . . 1 . . 446 . A 129 ARG C . 34708 1 1295 . 1 . 1 110 110 ARG CA C 13 56.042 0.024 . 1 . . 233 . A 129 ARG CA . 34708 1 1296 . 1 . 1 110 110 ARG CB C 13 31.402 0.027 . 1 . . 232 . A 129 ARG CB . 34708 1 1297 . 1 . 1 110 110 ARG CG C 13 27.349 0.001 . 1 . . 869 . A 129 ARG CG . 34708 1 1298 . 1 . 1 110 110 ARG CD C 13 43.370 0.002 . 1 . . 872 . A 129 ARG CD . 34708 1 1299 . 1 . 1 110 110 ARG N N 15 120.029 0.011 . 1 . . 4 . A 129 ARG N . 34708 1 1300 . 1 . 1 111 111 ASP H H 1 8.485 0.002 . 1 . . 41 . A 130 ASP H . 34708 1 1301 . 1 . 1 111 111 ASP HA H 1 4.715 0.002 . 1 . . 589 . A 130 ASP HA . 34708 1 1302 . 1 . 1 111 111 ASP HB2 H 1 2.772 0.001 . 2 . . 875 . A 130 ASP HB2 . 34708 1 1303 . 1 . 1 111 111 ASP HB3 H 1 2.772 0.001 . 2 . . 876 . A 130 ASP HB3 . 34708 1 1304 . 1 . 1 111 111 ASP C C 13 175.006 . . 1 . . 448 . A 130 ASP C . 34708 1 1305 . 1 . 1 111 111 ASP CA C 13 54.273 0.01 . 1 . . 234 . A 130 ASP CA . 34708 1 1306 . 1 . 1 111 111 ASP CB C 13 41.546 0.035 . 1 . . 235 . A 130 ASP CB . 34708 1 1307 . 1 . 1 111 111 ASP N N 15 121.836 0.017 . 1 . . 42 . A 130 ASP N . 34708 1 1308 . 1 . 1 112 112 ASP H H 1 7.919 0.002 . 1 . . 152 . A 131 ASP H . 34708 1 1309 . 1 . 1 112 112 ASP HA H 1 4.377 0.006 . 1 . . 590 . A 131 ASP HA . 34708 1 1310 . 1 . 1 112 112 ASP HB2 H 1 2.629 0.006 . 1 . . 877 . A 131 ASP HB2 . 34708 1 1311 . 1 . 1 112 112 ASP HB3 H 1 2.629 0.006 . 1 . . 878 . A 131 ASP HB3 . 34708 1 1312 . 1 . 1 112 112 ASP C C 13 175.444 . . 1 . . 450 . A 131 ASP C . 34708 1 1313 . 1 . 1 112 112 ASP CA C 13 55.865 0.022 . 1 . . 449 . A 131 ASP CA . 34708 1 1314 . 1 . 1 112 112 ASP CB C 13 42.342 0.016 . 1 . . 447 . A 131 ASP CB . 34708 1 1315 . 1 . 1 112 112 ASP N N 15 125.902 0.02 . 1 . . 153 . A 131 ASP N . 34708 1 stop_ save_