data_34695 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34695 _Entry.Title ; Solution NMR structure of halophilic DnaE intein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-15 _Entry.Accession_date 2021-12-15 _Entry.Last_release_date 2022-01-11 _Entry.Original_release_date 2022-01-11 _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 H. Heikkinen H. A. . . 34695 2 S. Aranko S. A. . . 34695 3 H. Iwai H. . . . 34695 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SPLICING . 34695 'conditional protein splicing' . 34695 'protein engineering' . 34695 'protein splicing' . 34695 'segmental isotopic labeling' . 34695 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34695 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 547 34695 '15N chemical shifts' 133 34695 '1H chemical shifts' 871 34695 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-04-22 . original BMRB . 34695 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7QIL 'BMRB Entry Tracking System' 34695 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34695 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35398651 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The NMR structure of the engineered halophilic DnaE intein for segmental isotopic labeling using conditional protein splicing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full 'Journal of magnetic resonance (San Diego, Calif. : 1997)' _Citation.Journal_volume 338 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1096-0856 _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 107195 _Citation.Page_last 107195 _Citation.Year 2022 _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 H. Heikkinen H. A. . . 34695 1 2 A. Aranko A. S. . . 34695 1 3 H. Iwai H. . . . 34695 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34695 _Assembly.ID 1 _Assembly.Name 'DnaE intein' _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 . . . . . . 34695 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34695 _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 ; SGGALSYDTEILTTEYGLLP IGDIVESETECTVYSVDSDG STYTQGVAEWHDRGEQEVFE YCLEDGSTIRATKDHKFMTT DGEMLPIDEIFESELDLMRV DSSGDTKIATREYTGSEDVY DIGVESDHNFALSDGFIASN ; _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15460.542 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 SER . 34695 1 2 -1 GLY . 34695 1 3 0 GLY . 34695 1 4 1 ALA . 34695 1 5 2 LEU . 34695 1 6 3 SER . 34695 1 7 4 TYR . 34695 1 8 5 ASP . 34695 1 9 6 THR . 34695 1 10 7 GLU . 34695 1 11 8 ILE . 34695 1 12 9 LEU . 34695 1 13 10 THR . 34695 1 14 11 THR . 34695 1 15 12 GLU . 34695 1 16 13 TYR . 34695 1 17 14 GLY . 34695 1 18 15 LEU . 34695 1 19 16 LEU . 34695 1 20 17 PRO . 34695 1 21 18 ILE . 34695 1 22 19 GLY . 34695 1 23 20 ASP . 34695 1 24 21 ILE . 34695 1 25 22 VAL . 34695 1 26 23 GLU . 34695 1 27 24 SER . 34695 1 28 25 GLU . 34695 1 29 26 THR . 34695 1 30 27 GLU . 34695 1 31 28 CYS . 34695 1 32 29 THR . 34695 1 33 30 VAL . 34695 1 34 31 TYR . 34695 1 35 32 SER . 34695 1 36 33 VAL . 34695 1 37 34 ASP . 34695 1 38 35 SER . 34695 1 39 36 ASP . 34695 1 40 37 GLY . 34695 1 41 38 SER . 34695 1 42 39 THR . 34695 1 43 40 TYR . 34695 1 44 41 THR . 34695 1 45 42 GLN . 34695 1 46 43 GLY . 34695 1 47 44 VAL . 34695 1 48 45 ALA . 34695 1 49 46 GLU . 34695 1 50 47 TRP . 34695 1 51 48 HIS . 34695 1 52 49 ASP . 34695 1 53 50 ARG . 34695 1 54 51 GLY . 34695 1 55 52 GLU . 34695 1 56 53 GLN . 34695 1 57 54 GLU . 34695 1 58 55 VAL . 34695 1 59 56 PHE . 34695 1 60 57 GLU . 34695 1 61 58 TYR . 34695 1 62 59 CYS . 34695 1 63 60 LEU . 34695 1 64 61 GLU . 34695 1 65 62 ASP . 34695 1 66 63 GLY . 34695 1 67 64 SER . 34695 1 68 65 THR . 34695 1 69 66 ILE . 34695 1 70 67 ARG . 34695 1 71 68 ALA . 34695 1 72 69 THR . 34695 1 73 70 LYS . 34695 1 74 71 ASP . 34695 1 75 72 HIS . 34695 1 76 73 LYS . 34695 1 77 74 PHE . 34695 1 78 75 MET . 34695 1 79 76 THR . 34695 1 80 77 THR . 34695 1 81 78 ASP . 34695 1 82 79 GLY . 34695 1 83 80 GLU . 34695 1 84 81 MET . 34695 1 85 82 LEU . 34695 1 86 83 PRO . 34695 1 87 84 ILE . 34695 1 88 85 ASP . 34695 1 89 86 GLU . 34695 1 90 87 ILE . 34695 1 91 88 PHE . 34695 1 92 89 GLU . 34695 1 93 90 SER . 34695 1 94 91 GLU . 34695 1 95 92 LEU . 34695 1 96 93 ASP . 34695 1 97 94 LEU . 34695 1 98 95 MET . 34695 1 99 96 ARG . 34695 1 100 97 VAL . 34695 1 101 98 ASP . 34695 1 102 99 SER . 34695 1 103 100 SER . 34695 1 104 101 GLY . 34695 1 105 102 ASP . 34695 1 106 103 THR . 34695 1 107 104 LYS . 34695 1 108 105 ILE . 34695 1 109 106 ALA . 34695 1 110 107 THR . 34695 1 111 108 ARG . 34695 1 112 109 GLU . 34695 1 113 110 TYR . 34695 1 114 111 THR . 34695 1 115 112 GLY . 34695 1 116 113 SER . 34695 1 117 114 GLU . 34695 1 118 115 ASP . 34695 1 119 116 VAL . 34695 1 120 117 TYR . 34695 1 121 118 ASP . 34695 1 122 119 ILE . 34695 1 123 120 GLY . 34695 1 124 121 VAL . 34695 1 125 122 GLU . 34695 1 126 123 SER . 34695 1 127 124 ASP . 34695 1 128 125 HIS . 34695 1 129 126 ASN . 34695 1 130 127 PHE . 34695 1 131 128 ALA . 34695 1 132 129 LEU . 34695 1 133 130 SER . 34695 1 134 131 ASP . 34695 1 135 132 GLY . 34695 1 136 133 PHE . 34695 1 137 134 ILE . 34695 1 138 135 ALA . 34695 1 139 136 SER . 34695 1 140 137 ASN . 34695 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 . SER 1 1 34695 1 . GLY 2 2 34695 1 . GLY 3 3 34695 1 . ALA 4 4 34695 1 . LEU 5 5 34695 1 . SER 6 6 34695 1 . TYR 7 7 34695 1 . ASP 8 8 34695 1 . THR 9 9 34695 1 . GLU 10 10 34695 1 . ILE 11 11 34695 1 . LEU 12 12 34695 1 . THR 13 13 34695 1 . THR 14 14 34695 1 . GLU 15 15 34695 1 . TYR 16 16 34695 1 . GLY 17 17 34695 1 . LEU 18 18 34695 1 . LEU 19 19 34695 1 . PRO 20 20 34695 1 . ILE 21 21 34695 1 . GLY 22 22 34695 1 . ASP 23 23 34695 1 . ILE 24 24 34695 1 . VAL 25 25 34695 1 . GLU 26 26 34695 1 . SER 27 27 34695 1 . GLU 28 28 34695 1 . THR 29 29 34695 1 . GLU 30 30 34695 1 . CYS 31 31 34695 1 . THR 32 32 34695 1 . VAL 33 33 34695 1 . TYR 34 34 34695 1 . SER 35 35 34695 1 . VAL 36 36 34695 1 . ASP 37 37 34695 1 . SER 38 38 34695 1 . ASP 39 39 34695 1 . GLY 40 40 34695 1 . SER 41 41 34695 1 . THR 42 42 34695 1 . TYR 43 43 34695 1 . THR 44 44 34695 1 . GLN 45 45 34695 1 . GLY 46 46 34695 1 . VAL 47 47 34695 1 . ALA 48 48 34695 1 . GLU 49 49 34695 1 . TRP 50 50 34695 1 . HIS 51 51 34695 1 . ASP 52 52 34695 1 . ARG 53 53 34695 1 . GLY 54 54 34695 1 . GLU 55 55 34695 1 . GLN 56 56 34695 1 . GLU 57 57 34695 1 . VAL 58 58 34695 1 . PHE 59 59 34695 1 . GLU 60 60 34695 1 . TYR 61 61 34695 1 . CYS 62 62 34695 1 . LEU 63 63 34695 1 . GLU 64 64 34695 1 . ASP 65 65 34695 1 . GLY 66 66 34695 1 . SER 67 67 34695 1 . THR 68 68 34695 1 . ILE 69 69 34695 1 . ARG 70 70 34695 1 . ALA 71 71 34695 1 . THR 72 72 34695 1 . LYS 73 73 34695 1 . ASP 74 74 34695 1 . HIS 75 75 34695 1 . LYS 76 76 34695 1 . PHE 77 77 34695 1 . MET 78 78 34695 1 . THR 79 79 34695 1 . THR 80 80 34695 1 . ASP 81 81 34695 1 . GLY 82 82 34695 1 . GLU 83 83 34695 1 . MET 84 84 34695 1 . LEU 85 85 34695 1 . PRO 86 86 34695 1 . ILE 87 87 34695 1 . ASP 88 88 34695 1 . GLU 89 89 34695 1 . ILE 90 90 34695 1 . PHE 91 91 34695 1 . GLU 92 92 34695 1 . SER 93 93 34695 1 . GLU 94 94 34695 1 . LEU 95 95 34695 1 . ASP 96 96 34695 1 . LEU 97 97 34695 1 . MET 98 98 34695 1 . ARG 99 99 34695 1 . VAL 100 100 34695 1 . ASP 101 101 34695 1 . SER 102 102 34695 1 . SER 103 103 34695 1 . GLY 104 104 34695 1 . ASP 105 105 34695 1 . THR 106 106 34695 1 . LYS 107 107 34695 1 . ILE 108 108 34695 1 . ALA 109 109 34695 1 . THR 110 110 34695 1 . ARG 111 111 34695 1 . GLU 112 112 34695 1 . TYR 113 113 34695 1 . THR 114 114 34695 1 . GLY 115 115 34695 1 . SER 116 116 34695 1 . GLU 117 117 34695 1 . ASP 118 118 34695 1 . VAL 119 119 34695 1 . TYR 120 120 34695 1 . ASP 121 121 34695 1 . ILE 122 122 34695 1 . GLY 123 123 34695 1 . VAL 124 124 34695 1 . GLU 125 125 34695 1 . SER 126 126 34695 1 . ASP 127 127 34695 1 . HIS 128 128 34695 1 . ASN 129 129 34695 1 . PHE 130 130 34695 1 . ALA 131 131 34695 1 . LEU 132 132 34695 1 . SER 133 133 34695 1 . ASP 134 134 34695 1 . GLY 135 135 34695 1 . PHE 136 136 34695 1 . ILE 137 137 34695 1 . ALA 138 138 34695 1 . SER 139 139 34695 1 . ASN 140 140 34695 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 34695 _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 . 1177 organism . Nostoc Nostoc . . Bacteria . Nostoc . . . . . . . . . . . . . . 34695 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 34695 _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 . . . . . . . . . . 34695 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34695 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'DnaE intein' '[20% 13C], [U-15N]' 1 $assembly 1 $entity_1 . . 1.6 . . mM . . . . 34695 1 2 NaCl 'natural abundance' . . . . . . 2 . . M . . . . 34695 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 34695 _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' 2 . M 34695 1 pH 6.0 . pH 34695 1 pressure 1 . bar 34695 1 temperature 303 . K 34695 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34695 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34695 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34695 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34695 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34695 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34695 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34695 _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 . . 34695 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34695 3 'peak picking' . 34695 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34695 _Software.ID 4 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34695 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34695 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34695 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34695 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 850 . . . 34695 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 34695 _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-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 5 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 8 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 11 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 1 12 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34695 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 34695 _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 . . . . . 34695 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34695 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34695 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 34695 _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-13C HSQC' . . . 34695 1 2 '2D 1H-15N HSQC' . . . 34695 1 3 '3D 1H-13C NOESY' . . . 34695 1 4 '3D 1H-15N NOESY' . . . 34695 1 5 '3D HCCH-COSY' . . . 34695 1 6 '3D HN(CO)CA' . . . 34695 1 7 '3D HNCACB' . . . 34695 1 8 '3D HN(CO)CA' . . . 34695 1 9 '3D HCCH-TOCSY' . . . 34695 1 10 '3D CBCA(CO)NH' . . . 34695 1 11 '3D HNCO' . . . 34695 1 12 '3D HNCA' . . . 34695 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 2 2 GLY HA2 H 1 4.124 0.000 . . . . . . A -1 GLY HA2 . 34695 1 2 . 1 . 1 2 2 GLY HA3 H 1 4.031 0.000 . . . . . . A -1 GLY HA3 . 34695 1 3 . 1 . 1 2 2 GLY C C 13 173.914 0.004 . . . . . . A -1 GLY C . 34695 1 4 . 1 . 1 2 2 GLY CA C 13 45.122 0.007 . . . . . . A -1 GLY CA . 34695 1 5 . 1 . 1 3 3 GLY H H 1 8.175 0.005 . . . . . . A 0 GLY H . 34695 1 6 . 1 . 1 3 3 GLY HA2 H 1 3.503 0.007 . . . . . . A 0 GLY HA2 . 34695 1 7 . 1 . 1 3 3 GLY HA3 H 1 4.044 0.003 . . . . . . A 0 GLY HA3 . 34695 1 8 . 1 . 1 3 3 GLY C C 13 173.056 0.003 . . . . . . A 0 GLY C . 34695 1 9 . 1 . 1 3 3 GLY CA C 13 45.451 0.040 . . . . . . A 0 GLY CA . 34695 1 10 . 1 . 1 3 3 GLY N N 15 108.443 0.042 . . . . . . A 0 GLY N . 34695 1 11 . 1 . 1 4 4 ALA H H 1 9.293 0.004 . . . . . . A 1 ALA H . 34695 1 12 . 1 . 1 4 4 ALA HA H 1 5.017 0.004 . . . . . . A 1 ALA HA . 34695 1 13 . 1 . 1 4 4 ALA HB1 H 1 1.557 0.005 . . . . . . A 1 ALA HB1 . 34695 1 14 . 1 . 1 4 4 ALA HB2 H 1 1.557 0.005 . . . . . . A 1 ALA HB2 . 34695 1 15 . 1 . 1 4 4 ALA HB3 H 1 1.557 0.005 . . . . . . A 1 ALA HB3 . 34695 1 16 . 1 . 1 4 4 ALA C C 13 173.815 0.007 . . . . . . A 1 ALA C . 34695 1 17 . 1 . 1 4 4 ALA CA C 13 52.622 0.052 . . . . . . A 1 ALA CA . 34695 1 18 . 1 . 1 4 4 ALA CB C 13 24.371 0.090 . . . . . . A 1 ALA CB . 34695 1 19 . 1 . 1 4 4 ALA N N 15 122.395 0.094 . . . . . . A 1 ALA N . 34695 1 20 . 1 . 1 5 5 LEU H H 1 9.905 0.009 . . . . . . A 2 LEU H . 34695 1 21 . 1 . 1 5 5 LEU HA H 1 5.361 0.006 . . . . . . A 2 LEU HA . 34695 1 22 . 1 . 1 5 5 LEU HB2 H 1 2.208 0.007 . . . . . . A 2 LEU HB2 . 34695 1 23 . 1 . 1 5 5 LEU HB3 H 1 2.071 0.014 . . . . . . A 2 LEU HB3 . 34695 1 24 . 1 . 1 5 5 LEU HG H 1 1.694 0.000 . . . . . . A 2 LEU HG . 34695 1 25 . 1 . 1 5 5 LEU HD11 H 1 1.138 0.011 . . . . . . A 2 LEU HD11 . 34695 1 26 . 1 . 1 5 5 LEU HD12 H 1 1.138 0.011 . . . . . . A 2 LEU HD12 . 34695 1 27 . 1 . 1 5 5 LEU HD13 H 1 1.138 0.011 . . . . . . A 2 LEU HD13 . 34695 1 28 . 1 . 1 5 5 LEU HD21 H 1 1.019 0.003 . . . . . . A 2 LEU HD21 . 34695 1 29 . 1 . 1 5 5 LEU HD22 H 1 1.019 0.003 . . . . . . A 2 LEU HD22 . 34695 1 30 . 1 . 1 5 5 LEU HD23 H 1 1.019 0.003 . . . . . . A 2 LEU HD23 . 34695 1 31 . 1 . 1 5 5 LEU C C 13 176.333 0.000 . . . . . . A 2 LEU C . 34695 1 32 . 1 . 1 5 5 LEU CA C 13 53.697 0.054 . . . . . . A 2 LEU CA . 34695 1 33 . 1 . 1 5 5 LEU CB C 13 45.167 0.045 . . . . . . A 2 LEU CB . 34695 1 34 . 1 . 1 5 5 LEU CG C 13 26.513 0.011 . . . . . . A 2 LEU CG . 34695 1 35 . 1 . 1 5 5 LEU CD1 C 13 26.445 0.057 . . . . . . A 2 LEU CD1 . 34695 1 36 . 1 . 1 5 5 LEU CD2 C 13 23.101 0.002 . . . . . . A 2 LEU CD2 . 34695 1 37 . 1 . 1 5 5 LEU N N 15 119.484 0.083 . . . . . . A 2 LEU N . 34695 1 38 . 1 . 1 6 6 SER H H 1 8.033 0.006 . . . . . . A 3 SER H . 34695 1 39 . 1 . 1 6 6 SER HA H 1 4.726 0.011 . . . . . . A 3 SER HA . 34695 1 40 . 1 . 1 6 6 SER HB2 H 1 4.416 0.016 . . . . . . A 3 SER HB2 . 34695 1 41 . 1 . 1 6 6 SER HB3 H 1 3.829 0.004 . . . . . . A 3 SER HB3 . 34695 1 42 . 1 . 1 6 6 SER C C 13 174.608 0.013 . . . . . . A 3 SER C . 34695 1 43 . 1 . 1 6 6 SER CA C 13 59.665 0.075 . . . . . . A 3 SER CA . 34695 1 44 . 1 . 1 6 6 SER CB C 13 64.431 0.080 . . . . . . A 3 SER CB . 34695 1 45 . 1 . 1 6 6 SER N N 15 114.481 0.083 . . . . . . A 3 SER N . 34695 1 46 . 1 . 1 7 7 TYR H H 1 9.798 0.010 . . . . . . A 4 TYR H . 34695 1 47 . 1 . 1 7 7 TYR HA H 1 3.726 0.009 . . . . . . A 4 TYR HA . 34695 1 48 . 1 . 1 7 7 TYR HB2 H 1 3.453 0.005 . . . . . . A 4 TYR HB2 . 34695 1 49 . 1 . 1 7 7 TYR HB3 H 1 3.453 0.005 . . . . . . A 4 TYR HB3 . 34695 1 50 . 1 . 1 7 7 TYR HD1 H 1 7.250 0.000 . . . . . . A 4 TYR HD1 . 34695 1 51 . 1 . 1 7 7 TYR HD2 H 1 7.250 0.000 . . . . . . A 4 TYR HD2 . 34695 1 52 . 1 . 1 7 7 TYR HE1 H 1 7.005 0.000 . . . . . . A 4 TYR HE1 . 34695 1 53 . 1 . 1 7 7 TYR HE2 H 1 7.005 0.000 . . . . . . A 4 TYR HE2 . 34695 1 54 . 1 . 1 7 7 TYR C C 13 175.929 0.019 . . . . . . A 4 TYR C . 34695 1 55 . 1 . 1 7 7 TYR CA C 13 62.124 0.084 . . . . . . A 4 TYR CA . 34695 1 56 . 1 . 1 7 7 TYR CB C 13 40.168 0.045 . . . . . . A 4 TYR CB . 34695 1 57 . 1 . 1 7 7 TYR CD1 C 13 127.093 0.000 . . . . . . A 4 TYR CD1 . 34695 1 58 . 1 . 1 7 7 TYR CE2 C 13 118.720 0.000 . . . . . . A 4 TYR CE2 . 34695 1 59 . 1 . 1 7 7 TYR N N 15 121.397 0.108 . . . . . . A 4 TYR N . 34695 1 60 . 1 . 1 8 8 ASP H H 1 8.230 0.003 . . . . . . A 5 ASP H . 34695 1 61 . 1 . 1 8 8 ASP HA H 1 4.589 0.011 . . . . . . A 5 ASP HA . 34695 1 62 . 1 . 1 8 8 ASP HB2 H 1 3.099 0.006 . . . . . . A 5 ASP HB2 . 34695 1 63 . 1 . 1 8 8 ASP HB3 H 1 2.829 0.005 . . . . . . A 5 ASP HB3 . 34695 1 64 . 1 . 1 8 8 ASP C C 13 176.694 0.001 . . . . . . A 5 ASP C . 34695 1 65 . 1 . 1 8 8 ASP CA C 13 53.769 0.084 . . . . . . A 5 ASP CA . 34695 1 66 . 1 . 1 8 8 ASP CB C 13 40.331 0.072 . . . . . . A 5 ASP CB . 34695 1 67 . 1 . 1 8 8 ASP N N 15 109.420 0.045 . . . . . . A 5 ASP N . 34695 1 68 . 1 . 1 9 9 THR H H 1 8.122 0.005 . . . . . . A 6 THR H . 34695 1 69 . 1 . 1 9 9 THR HA H 1 4.190 0.009 . . . . . . A 6 THR HA . 34695 1 70 . 1 . 1 9 9 THR HB H 1 4.644 0.003 . . . . . . A 6 THR HB . 34695 1 71 . 1 . 1 9 9 THR HG21 H 1 1.620 0.002 . . . . . . A 6 THR HG21 . 34695 1 72 . 1 . 1 9 9 THR HG22 H 1 1.620 0.002 . . . . . . A 6 THR HG22 . 34695 1 73 . 1 . 1 9 9 THR HG23 H 1 1.620 0.002 . . . . . . A 6 THR HG23 . 34695 1 74 . 1 . 1 9 9 THR C C 13 173.709 0.001 . . . . . . A 6 THR C . 34695 1 75 . 1 . 1 9 9 THR CA C 13 65.505 0.094 . . . . . . A 6 THR CA . 34695 1 76 . 1 . 1 9 9 THR CB C 13 68.732 0.048 . . . . . . A 6 THR CB . 34695 1 77 . 1 . 1 9 9 THR CG2 C 13 22.668 0.104 . . . . . . A 6 THR CG2 . 34695 1 78 . 1 . 1 9 9 THR N N 15 120.684 0.141 . . . . . . A 6 THR N . 34695 1 79 . 1 . 1 10 10 GLU H H 1 9.208 0.004 . . . . . . A 7 GLU H . 34695 1 80 . 1 . 1 10 10 GLU HA H 1 4.729 0.008 . . . . . . A 7 GLU HA . 34695 1 81 . 1 . 1 10 10 GLU HB2 H 1 2.318 0.003 . . . . . . A 7 GLU HB2 . 34695 1 82 . 1 . 1 10 10 GLU HB3 H 1 1.852 0.003 . . . . . . A 7 GLU HB3 . 34695 1 83 . 1 . 1 10 10 GLU HG2 H 1 1.923 0.009 . . . . . . A 7 GLU HG2 . 34695 1 84 . 1 . 1 10 10 GLU HG3 H 1 2.701 0.005 . . . . . . A 7 GLU HG3 . 34695 1 85 . 1 . 1 10 10 GLU C C 13 175.017 0.012 . . . . . . A 7 GLU C . 34695 1 86 . 1 . 1 10 10 GLU CA C 13 56.552 0.095 . . . . . . A 7 GLU CA . 34695 1 87 . 1 . 1 10 10 GLU CB C 13 31.356 0.099 . . . . . . A 7 GLU CB . 34695 1 88 . 1 . 1 10 10 GLU CG C 13 37.469 0.077 . . . . . . A 7 GLU CG . 34695 1 89 . 1 . 1 10 10 GLU N N 15 129.621 0.072 . . . . . . A 7 GLU N . 34695 1 90 . 1 . 1 11 11 ILE H H 1 9.107 0.005 . . . . . . A 8 ILE H . 34695 1 91 . 1 . 1 11 11 ILE HA H 1 4.584 0.009 . . . . . . A 8 ILE HA . 34695 1 92 . 1 . 1 11 11 ILE HB H 1 2.136 0.002 . . . . . . A 8 ILE HB . 34695 1 93 . 1 . 1 11 11 ILE HG12 H 1 1.702 0.009 . . . . . . A 8 ILE HG12 . 34695 1 94 . 1 . 1 11 11 ILE HG13 H 1 1.315 0.003 . . . . . . A 8 ILE HG13 . 34695 1 95 . 1 . 1 11 11 ILE HG21 H 1 1.077 0.003 . . . . . . A 8 ILE HG21 . 34695 1 96 . 1 . 1 11 11 ILE HG22 H 1 1.077 0.003 . . . . . . A 8 ILE HG22 . 34695 1 97 . 1 . 1 11 11 ILE HG23 H 1 1.077 0.003 . . . . . . A 8 ILE HG23 . 34695 1 98 . 1 . 1 11 11 ILE HD11 H 1 0.893 0.000 . . . . . . A 8 ILE HD11 . 34695 1 99 . 1 . 1 11 11 ILE HD12 H 1 0.893 0.000 . . . . . . A 8 ILE HD12 . 34695 1 100 . 1 . 1 11 11 ILE HD13 H 1 0.893 0.000 . . . . . . A 8 ILE HD13 . 34695 1 101 . 1 . 1 11 11 ILE C C 13 175.624 0.000 . . . . . . A 8 ILE C . 34695 1 102 . 1 . 1 11 11 ILE CA C 13 58.213 0.001 . . . . . . A 8 ILE CA . 34695 1 103 . 1 . 1 11 11 ILE CB C 13 39.281 0.134 . . . . . . A 8 ILE CB . 34695 1 104 . 1 . 1 11 11 ILE CG1 C 13 26.891 0.128 . . . . . . A 8 ILE CG1 . 34695 1 105 . 1 . 1 11 11 ILE CG2 C 13 17.984 0.001 . . . . . . A 8 ILE CG2 . 34695 1 106 . 1 . 1 11 11 ILE CD1 C 13 12.017 0.000 . . . . . . A 8 ILE CD1 . 34695 1 107 . 1 . 1 11 11 ILE N N 15 123.029 0.077 . . . . . . A 8 ILE N . 34695 1 108 . 1 . 1 12 12 LEU HA H 1 4.437 0.009 . . . . . . A 9 LEU HA . 34695 1 109 . 1 . 1 12 12 LEU HB2 H 1 1.956 0.009 . . . . . . A 9 LEU HB2 . 34695 1 110 . 1 . 1 12 12 LEU HB3 H 1 1.347 0.009 . . . . . . A 9 LEU HB3 . 34695 1 111 . 1 . 1 12 12 LEU HG H 1 1.526 0.006 . . . . . . A 9 LEU HG . 34695 1 112 . 1 . 1 12 12 LEU HD11 H 1 0.919 0.003 . . . . . . A 9 LEU HD11 . 34695 1 113 . 1 . 1 12 12 LEU HD12 H 1 0.919 0.003 . . . . . . A 9 LEU HD12 . 34695 1 114 . 1 . 1 12 12 LEU HD13 H 1 0.919 0.003 . . . . . . A 9 LEU HD13 . 34695 1 115 . 1 . 1 12 12 LEU HD21 H 1 0.614 0.003 . . . . . . A 9 LEU HD21 . 34695 1 116 . 1 . 1 12 12 LEU HD22 H 1 0.614 0.003 . . . . . . A 9 LEU HD22 . 34695 1 117 . 1 . 1 12 12 LEU HD23 H 1 0.614 0.003 . . . . . . A 9 LEU HD23 . 34695 1 118 . 1 . 1 12 12 LEU C C 13 175.250 0.000 . . . . . . A 9 LEU C . 34695 1 119 . 1 . 1 12 12 LEU CA C 13 56.041 0.016 . . . . . . A 9 LEU CA . 34695 1 120 . 1 . 1 12 12 LEU CB C 13 42.498 0.071 . . . . . . A 9 LEU CB . 34695 1 121 . 1 . 1 12 12 LEU CG C 13 26.965 0.040 . . . . . . A 9 LEU CG . 34695 1 122 . 1 . 1 12 12 LEU CD1 C 13 23.294 0.015 . . . . . . A 9 LEU CD1 . 34695 1 123 . 1 . 1 12 12 LEU CD2 C 13 25.358 0.096 . . . . . . A 9 LEU CD2 . 34695 1 124 . 1 . 1 13 13 THR H H 1 7.812 0.006 . . . . . . A 10 THR H . 34695 1 125 . 1 . 1 13 13 THR HA H 1 6.290 0.008 . . . . . . A 10 THR HA . 34695 1 126 . 1 . 1 13 13 THR HB H 1 4.701 0.006 . . . . . . A 10 THR HB . 34695 1 127 . 1 . 1 13 13 THR HG21 H 1 1.421 0.001 . . . . . . A 10 THR HG21 . 34695 1 128 . 1 . 1 13 13 THR HG22 H 1 1.421 0.001 . . . . . . A 10 THR HG22 . 34695 1 129 . 1 . 1 13 13 THR HG23 H 1 1.421 0.001 . . . . . . A 10 THR HG23 . 34695 1 130 . 1 . 1 13 13 THR C C 13 177.194 0.009 . . . . . . A 10 THR C . 34695 1 131 . 1 . 1 13 13 THR CA C 13 59.279 0.080 . . . . . . A 10 THR CA . 34695 1 132 . 1 . 1 13 13 THR CB C 13 73.474 0.079 . . . . . . A 10 THR CB . 34695 1 133 . 1 . 1 13 13 THR CG2 C 13 22.527 0.035 . . . . . . A 10 THR CG2 . 34695 1 134 . 1 . 1 13 13 THR N N 15 116.982 0.132 . . . . . . A 10 THR N . 34695 1 135 . 1 . 1 14 14 THR H H 1 8.973 0.006 . . . . . . A 11 THR H . 34695 1 136 . 1 . 1 14 14 THR HA H 1 4.374 0.007 . . . . . . A 11 THR HA . 34695 1 137 . 1 . 1 14 14 THR HB H 1 4.251 0.024 . . . . . . A 11 THR HB . 34695 1 138 . 1 . 1 14 14 THR HG21 H 1 1.038 0.012 . . . . . . A 11 THR HG21 . 34695 1 139 . 1 . 1 14 14 THR HG22 H 1 1.038 0.012 . . . . . . A 11 THR HG22 . 34695 1 140 . 1 . 1 14 14 THR HG23 H 1 1.038 0.012 . . . . . . A 11 THR HG23 . 34695 1 141 . 1 . 1 14 14 THR C C 13 178.595 0.012 . . . . . . A 11 THR C . 34695 1 142 . 1 . 1 14 14 THR CA C 13 64.579 0.073 . . . . . . A 11 THR CA . 34695 1 143 . 1 . 1 14 14 THR CB C 13 67.556 0.029 . . . . . . A 11 THR CB . 34695 1 144 . 1 . 1 14 14 THR CG2 C 13 22.101 0.049 . . . . . . A 11 THR CG2 . 34695 1 145 . 1 . 1 14 14 THR N N 15 115.495 0.088 . . . . . . A 11 THR N . 34695 1 146 . 1 . 1 15 15 GLU H H 1 9.580 0.004 . . . . . . A 12 GLU H . 34695 1 147 . 1 . 1 15 15 GLU HA H 1 3.966 0.002 . . . . . . A 12 GLU HA . 34695 1 148 . 1 . 1 15 15 GLU HB2 H 1 1.413 0.002 . . . . . . A 12 GLU HB2 . 34695 1 149 . 1 . 1 15 15 GLU HB3 H 1 1.059 0.009 . . . . . . A 12 GLU HB3 . 34695 1 150 . 1 . 1 15 15 GLU HG2 H 1 2.403 0.012 . . . . . . A 12 GLU HG2 . 34695 1 151 . 1 . 1 15 15 GLU HG3 H 1 2.131 0.010 . . . . . . A 12 GLU HG3 . 34695 1 152 . 1 . 1 15 15 GLU C C 13 178.937 0.012 . . . . . . A 12 GLU C . 34695 1 153 . 1 . 1 15 15 GLU CA C 13 60.291 0.065 . . . . . . A 12 GLU CA . 34695 1 154 . 1 . 1 15 15 GLU CB C 13 28.105 0.102 . . . . . . A 12 GLU CB . 34695 1 155 . 1 . 1 15 15 GLU CG C 13 36.370 0.015 . . . . . . A 12 GLU CG . 34695 1 156 . 1 . 1 15 15 GLU N N 15 121.063 0.088 . . . . . . A 12 GLU N . 34695 1 157 . 1 . 1 16 16 TYR H H 1 7.566 0.004 . . . . . . A 13 TYR H . 34695 1 158 . 1 . 1 16 16 TYR HA H 1 5.017 0.004 . . . . . . A 13 TYR HA . 34695 1 159 . 1 . 1 16 16 TYR HB2 H 1 3.443 0.002 . . . . . . A 13 TYR HB2 . 34695 1 160 . 1 . 1 16 16 TYR HB3 H 1 2.795 0.002 . . . . . . A 13 TYR HB3 . 34695 1 161 . 1 . 1 16 16 TYR HD1 H 1 7.262 0.001 . . . . . . A 13 TYR HD1 . 34695 1 162 . 1 . 1 16 16 TYR HD2 H 1 7.262 0.001 . . . . . . A 13 TYR HD2 . 34695 1 163 . 1 . 1 16 16 TYR C C 13 176.211 0.008 . . . . . . A 13 TYR C . 34695 1 164 . 1 . 1 16 16 TYR CA C 13 56.283 0.051 . . . . . . A 13 TYR CA . 34695 1 165 . 1 . 1 16 16 TYR CB C 13 40.420 0.092 . . . . . . A 13 TYR CB . 34695 1 166 . 1 . 1 16 16 TYR CD2 C 13 132.069 0.000 . . . . . . A 13 TYR CD2 . 34695 1 167 . 1 . 1 16 16 TYR N N 15 112.708 0.078 . . . . . . A 13 TYR N . 34695 1 168 . 1 . 1 17 17 GLY H H 1 7.355 0.005 . . . . . . A 14 GLY H . 34695 1 169 . 1 . 1 17 17 GLY HA2 H 1 4.416 0.007 . . . . . . A 14 GLY HA2 . 34695 1 170 . 1 . 1 17 17 GLY HA3 H 1 3.959 0.006 . . . . . . A 14 GLY HA3 . 34695 1 171 . 1 . 1 17 17 GLY C C 13 175.926 0.001 . . . . . . A 14 GLY C . 34695 1 172 . 1 . 1 17 17 GLY CA C 13 45.467 0.051 . . . . . . A 14 GLY CA . 34695 1 173 . 1 . 1 17 17 GLY N N 15 109.014 0.033 . . . . . . A 14 GLY N . 34695 1 174 . 1 . 1 18 18 LEU H H 1 8.826 0.006 . . . . . . A 15 LEU H . 34695 1 175 . 1 . 1 18 18 LEU HA H 1 4.931 0.009 . . . . . . A 15 LEU HA . 34695 1 176 . 1 . 1 18 18 LEU HB2 H 1 1.408 0.007 . . . . . . A 15 LEU HB2 . 34695 1 177 . 1 . 1 18 18 LEU HB3 H 1 1.977 0.002 . . . . . . A 15 LEU HB3 . 34695 1 178 . 1 . 1 18 18 LEU HG H 1 1.888 0.006 . . . . . . A 15 LEU HG . 34695 1 179 . 1 . 1 18 18 LEU HD11 H 1 1.097 0.002 . . . . . . A 15 LEU HD11 . 34695 1 180 . 1 . 1 18 18 LEU HD12 H 1 1.097 0.002 . . . . . . A 15 LEU HD12 . 34695 1 181 . 1 . 1 18 18 LEU HD13 H 1 1.097 0.002 . . . . . . A 15 LEU HD13 . 34695 1 182 . 1 . 1 18 18 LEU HD21 H 1 0.885 0.005 . . . . . . A 15 LEU HD21 . 34695 1 183 . 1 . 1 18 18 LEU HD22 H 1 0.885 0.005 . . . . . . A 15 LEU HD22 . 34695 1 184 . 1 . 1 18 18 LEU HD23 H 1 0.885 0.005 . . . . . . A 15 LEU HD23 . 34695 1 185 . 1 . 1 18 18 LEU C C 13 177.337 0.010 . . . . . . A 15 LEU C . 34695 1 186 . 1 . 1 18 18 LEU CA C 13 55.649 0.035 . . . . . . A 15 LEU CA . 34695 1 187 . 1 . 1 18 18 LEU CB C 13 42.227 0.075 . . . . . . A 15 LEU CB . 34695 1 188 . 1 . 1 18 18 LEU CG C 13 26.971 0.092 . . . . . . A 15 LEU CG . 34695 1 189 . 1 . 1 18 18 LEU CD1 C 13 25.551 0.062 . . . . . . A 15 LEU CD1 . 34695 1 190 . 1 . 1 18 18 LEU CD2 C 13 23.960 0.013 . . . . . . A 15 LEU CD2 . 34695 1 191 . 1 . 1 18 18 LEU N N 15 127.191 0.041 . . . . . . A 15 LEU N . 34695 1 192 . 1 . 1 19 19 LEU H H 1 8.799 0.006 . . . . . . A 16 LEU H . 34695 1 193 . 1 . 1 19 19 LEU HA H 1 5.232 0.007 . . . . . . A 16 LEU HA . 34695 1 194 . 1 . 1 19 19 LEU HB2 H 1 1.493 0.008 . . . . . . A 16 LEU HB2 . 34695 1 195 . 1 . 1 19 19 LEU HB3 H 1 1.688 0.005 . . . . . . A 16 LEU HB3 . 34695 1 196 . 1 . 1 19 19 LEU HG H 1 1.666 0.003 . . . . . . A 16 LEU HG . 34695 1 197 . 1 . 1 19 19 LEU HD11 H 1 0.896 0.001 . . . . . . A 16 LEU HD11 . 34695 1 198 . 1 . 1 19 19 LEU HD12 H 1 0.896 0.001 . . . . . . A 16 LEU HD12 . 34695 1 199 . 1 . 1 19 19 LEU HD13 H 1 0.896 0.001 . . . . . . A 16 LEU HD13 . 34695 1 200 . 1 . 1 19 19 LEU HD21 H 1 0.980 0.000 . . . . . . A 16 LEU HD21 . 34695 1 201 . 1 . 1 19 19 LEU HD22 H 1 0.980 0.000 . . . . . . A 16 LEU HD22 . 34695 1 202 . 1 . 1 19 19 LEU HD23 H 1 0.980 0.000 . . . . . . A 16 LEU HD23 . 34695 1 203 . 1 . 1 19 19 LEU C C 13 174.140 0.000 . . . . . . A 16 LEU C . 34695 1 204 . 1 . 1 19 19 LEU CA C 13 51.868 0.049 . . . . . . A 16 LEU CA . 34695 1 205 . 1 . 1 19 19 LEU CB C 13 47.046 0.115 . . . . . . A 16 LEU CB . 34695 1 206 . 1 . 1 19 19 LEU CG C 13 27.088 0.050 . . . . . . A 16 LEU CG . 34695 1 207 . 1 . 1 19 19 LEU CD1 C 13 25.862 0.000 . . . . . . A 16 LEU CD1 . 34695 1 208 . 1 . 1 19 19 LEU CD2 C 13 22.416 0.000 . . . . . . A 16 LEU CD2 . 34695 1 209 . 1 . 1 19 19 LEU N N 15 124.886 0.071 . . . . . . A 16 LEU N . 34695 1 210 . 1 . 1 20 20 PRO HA H 1 4.665 0.007 . . . . . . A 17 PRO HA . 34695 1 211 . 1 . 1 20 20 PRO HB2 H 1 1.988 0.011 . . . . . . A 17 PRO HB2 . 34695 1 212 . 1 . 1 20 20 PRO HB3 H 1 2.672 0.013 . . . . . . A 17 PRO HB3 . 34695 1 213 . 1 . 1 20 20 PRO HG2 H 1 2.364 0.006 . . . . . . A 17 PRO HG2 . 34695 1 214 . 1 . 1 20 20 PRO HG3 H 1 2.200 0.003 . . . . . . A 17 PRO HG3 . 34695 1 215 . 1 . 1 20 20 PRO HD2 H 1 3.790 0.002 . . . . . . A 17 PRO HD2 . 34695 1 216 . 1 . 1 20 20 PRO HD3 H 1 4.179 0.006 . . . . . . A 17 PRO HD3 . 34695 1 217 . 1 . 1 20 20 PRO C C 13 178.462 0.005 . . . . . . A 17 PRO C . 34695 1 218 . 1 . 1 20 20 PRO CA C 13 62.688 0.084 . . . . . . A 17 PRO CA . 34695 1 219 . 1 . 1 20 20 PRO CB C 13 32.540 0.102 . . . . . . A 17 PRO CB . 34695 1 220 . 1 . 1 20 20 PRO CG C 13 28.258 0.041 . . . . . . A 17 PRO CG . 34695 1 221 . 1 . 1 20 20 PRO CD C 13 51.509 0.039 . . . . . . A 17 PRO CD . 34695 1 222 . 1 . 1 21 21 ILE H H 1 9.747 0.005 . . . . . . A 18 ILE H . 34695 1 223 . 1 . 1 21 21 ILE HA H 1 3.866 0.005 . . . . . . A 18 ILE HA . 34695 1 224 . 1 . 1 21 21 ILE HB H 1 1.923 0.006 . . . . . . A 18 ILE HB . 34695 1 225 . 1 . 1 21 21 ILE HG12 H 1 1.215 0.006 . . . . . . A 18 ILE HG12 . 34695 1 226 . 1 . 1 21 21 ILE HG13 H 1 1.215 0.006 . . . . . . A 18 ILE HG13 . 34695 1 227 . 1 . 1 21 21 ILE HG21 H 1 1.201 0.001 . . . . . . A 18 ILE HG21 . 34695 1 228 . 1 . 1 21 21 ILE HG22 H 1 1.201 0.001 . . . . . . A 18 ILE HG22 . 34695 1 229 . 1 . 1 21 21 ILE HG23 H 1 1.201 0.001 . . . . . . A 18 ILE HG23 . 34695 1 230 . 1 . 1 21 21 ILE HD11 H 1 1.044 0.012 . . . . . . A 18 ILE HD11 . 34695 1 231 . 1 . 1 21 21 ILE HD12 H 1 1.044 0.012 . . . . . . A 18 ILE HD12 . 34695 1 232 . 1 . 1 21 21 ILE HD13 H 1 1.044 0.012 . . . . . . A 18 ILE HD13 . 34695 1 233 . 1 . 1 21 21 ILE C C 13 176.039 0.012 . . . . . . A 18 ILE C . 34695 1 234 . 1 . 1 21 21 ILE CA C 13 65.121 0.055 . . . . . . A 18 ILE CA . 34695 1 235 . 1 . 1 21 21 ILE CB C 13 37.802 0.092 . . . . . . A 18 ILE CB . 34695 1 236 . 1 . 1 21 21 ILE CG1 C 13 29.862 0.000 . . . . . . A 18 ILE CG1 . 34695 1 237 . 1 . 1 21 21 ILE CG2 C 13 18.404 0.032 . . . . . . A 18 ILE CG2 . 34695 1 238 . 1 . 1 21 21 ILE CD1 C 13 15.616 0.112 . . . . . . A 18 ILE CD1 . 34695 1 239 . 1 . 1 21 21 ILE N N 15 127.849 0.092 . . . . . . A 18 ILE N . 34695 1 240 . 1 . 1 22 22 GLY H H 1 8.665 0.006 . . . . . . A 19 GLY H . 34695 1 241 . 1 . 1 22 22 GLY HA2 H 1 1.851 0.005 . . . . . . A 19 GLY HA2 . 34695 1 242 . 1 . 1 22 22 GLY HA3 H 1 1.528 0.011 . . . . . . A 19 GLY HA3 . 34695 1 243 . 1 . 1 22 22 GLY C C 13 175.039 0.010 . . . . . . A 19 GLY C . 34695 1 244 . 1 . 1 22 22 GLY CA C 13 45.408 0.032 . . . . . . A 19 GLY CA . 34695 1 245 . 1 . 1 22 22 GLY N N 15 109.420 0.038 . . . . . . A 19 GLY N . 34695 1 246 . 1 . 1 23 23 ASP H H 1 6.347 0.007 . . . . . . A 20 ASP H . 34695 1 247 . 1 . 1 23 23 ASP HA H 1 4.438 0.011 . . . . . . A 20 ASP HA . 34695 1 248 . 1 . 1 23 23 ASP HB2 H 1 2.758 0.004 . . . . . . A 20 ASP HB2 . 34695 1 249 . 1 . 1 23 23 ASP HB3 H 1 2.760 0.003 . . . . . . A 20 ASP HB3 . 34695 1 250 . 1 . 1 23 23 ASP C C 13 178.915 0.000 . . . . . . A 20 ASP C . 34695 1 251 . 1 . 1 23 23 ASP CA C 13 56.903 0.067 . . . . . . A 20 ASP CA . 34695 1 252 . 1 . 1 23 23 ASP CB C 13 41.491 0.055 . . . . . . A 20 ASP CB . 34695 1 253 . 1 . 1 23 23 ASP N N 15 118.197 0.038 . . . . . . A 20 ASP N . 34695 1 254 . 1 . 1 24 24 ILE H H 1 7.456 0.007 . . . . . . A 21 ILE H . 34695 1 255 . 1 . 1 24 24 ILE HA H 1 3.659 0.008 . . . . . . A 21 ILE HA . 34695 1 256 . 1 . 1 24 24 ILE HB H 1 2.069 0.007 . . . . . . A 21 ILE HB . 34695 1 257 . 1 . 1 24 24 ILE HG12 H 1 1.499 0.000 . . . . . . A 21 ILE HG12 . 34695 1 258 . 1 . 1 24 24 ILE HG13 H 1 0.577 0.000 . . . . . . A 21 ILE HG13 . 34695 1 259 . 1 . 1 24 24 ILE HG21 H 1 1.136 0.016 . . . . . . A 21 ILE HG21 . 34695 1 260 . 1 . 1 24 24 ILE HG22 H 1 1.136 0.016 . . . . . . A 21 ILE HG22 . 34695 1 261 . 1 . 1 24 24 ILE HG23 H 1 1.136 0.016 . . . . . . A 21 ILE HG23 . 34695 1 262 . 1 . 1 24 24 ILE HD11 H 1 0.893 0.043 . . . . . . A 21 ILE HD11 . 34695 1 263 . 1 . 1 24 24 ILE HD12 H 1 0.893 0.043 . . . . . . A 21 ILE HD12 . 34695 1 264 . 1 . 1 24 24 ILE HD13 H 1 0.893 0.043 . . . . . . A 21 ILE HD13 . 34695 1 265 . 1 . 1 24 24 ILE C C 13 178.177 0.005 . . . . . . A 21 ILE C . 34695 1 266 . 1 . 1 24 24 ILE CA C 13 65.344 0.075 . . . . . . A 21 ILE CA . 34695 1 267 . 1 . 1 24 24 ILE CB C 13 38.670 0.073 . . . . . . A 21 ILE CB . 34695 1 268 . 1 . 1 24 24 ILE CG1 C 13 26.512 0.015 . . . . . . A 21 ILE CG1 . 34695 1 269 . 1 . 1 24 24 ILE CG2 C 13 17.261 0.118 . . . . . . A 21 ILE CG2 . 34695 1 270 . 1 . 1 24 24 ILE CD1 C 13 13.974 0.024 . . . . . . A 21 ILE CD1 . 34695 1 271 . 1 . 1 24 24 ILE N N 15 119.509 0.156 . . . . . . A 21 ILE N . 34695 1 272 . 1 . 1 25 25 VAL H H 1 8.407 0.007 . . . . . . A 22 VAL H . 34695 1 273 . 1 . 1 25 25 VAL HA H 1 4.049 0.004 . . . . . . A 22 VAL HA . 34695 1 274 . 1 . 1 25 25 VAL HB H 1 2.102 0.016 . . . . . . A 22 VAL HB . 34695 1 275 . 1 . 1 25 25 VAL HG11 H 1 1.398 0.003 . . . . . . A 22 VAL HG11 . 34695 1 276 . 1 . 1 25 25 VAL HG12 H 1 1.398 0.003 . . . . . . A 22 VAL HG12 . 34695 1 277 . 1 . 1 25 25 VAL HG13 H 1 1.398 0.003 . . . . . . A 22 VAL HG13 . 34695 1 278 . 1 . 1 25 25 VAL HG21 H 1 1.247 0.001 . . . . . . A 22 VAL HG21 . 34695 1 279 . 1 . 1 25 25 VAL HG22 H 1 1.247 0.001 . . . . . . A 22 VAL HG22 . 34695 1 280 . 1 . 1 25 25 VAL HG23 H 1 1.247 0.001 . . . . . . A 22 VAL HG23 . 34695 1 281 . 1 . 1 25 25 VAL C C 13 179.086 0.006 . . . . . . A 22 VAL C . 34695 1 282 . 1 . 1 25 25 VAL CA C 13 67.507 0.035 . . . . . . A 22 VAL CA . 34695 1 283 . 1 . 1 25 25 VAL CB C 13 31.640 0.116 . . . . . . A 22 VAL CB . 34695 1 284 . 1 . 1 25 25 VAL CG1 C 13 24.735 0.117 . . . . . . A 22 VAL CG1 . 34695 1 285 . 1 . 1 25 25 VAL CG2 C 13 21.287 0.227 . . . . . . A 22 VAL CG2 . 34695 1 286 . 1 . 1 25 25 VAL N N 15 116.589 0.094 . . . . . . A 22 VAL N . 34695 1 287 . 1 . 1 26 26 GLU H H 1 8.672 0.005 . . . . . . A 23 GLU H . 34695 1 288 . 1 . 1 26 26 GLU HA H 1 4.179 0.007 . . . . . . A 23 GLU HA . 34695 1 289 . 1 . 1 26 26 GLU HB2 H 1 2.247 0.026 . . . . . . A 23 GLU HB2 . 34695 1 290 . 1 . 1 26 26 GLU HB3 H 1 2.241 0.019 . . . . . . A 23 GLU HB3 . 34695 1 291 . 1 . 1 26 26 GLU HG2 H 1 2.579 0.000 . . . . . . A 23 GLU HG2 . 34695 1 292 . 1 . 1 26 26 GLU HG3 H 1 2.745 0.001 . . . . . . A 23 GLU HG3 . 34695 1 293 . 1 . 1 26 26 GLU C C 13 178.885 0.009 . . . . . . A 23 GLU C . 34695 1 294 . 1 . 1 26 26 GLU CA C 13 60.200 0.084 . . . . . . A 23 GLU CA . 34695 1 295 . 1 . 1 26 26 GLU CB C 13 29.293 0.001 . . . . . . A 23 GLU CB . 34695 1 296 . 1 . 1 26 26 GLU CG C 13 37.026 0.001 . . . . . . A 23 GLU CG . 34695 1 297 . 1 . 1 26 26 GLU N N 15 119.623 0.093 . . . . . . A 23 GLU N . 34695 1 298 . 1 . 1 27 27 SER H H 1 7.545 0.005 . . . . . . A 24 SER H . 34695 1 299 . 1 . 1 27 27 SER HA H 1 4.483 0.007 . . . . . . A 24 SER HA . 34695 1 300 . 1 . 1 27 27 SER HB2 H 1 3.877 0.000 . . . . . . A 24 SER HB2 . 34695 1 301 . 1 . 1 27 27 SER HB3 H 1 3.962 0.000 . . . . . . A 24 SER HB3 . 34695 1 302 . 1 . 1 27 27 SER C C 13 172.896 0.000 . . . . . . A 24 SER C . 34695 1 303 . 1 . 1 27 27 SER CA C 13 58.359 0.057 . . . . . . A 24 SER CA . 34695 1 304 . 1 . 1 27 27 SER CB C 13 64.038 0.017 . . . . . . A 24 SER CB . 34695 1 305 . 1 . 1 27 27 SER N N 15 110.028 0.035 . . . . . . A 24 SER N . 34695 1 306 . 1 . 1 28 28 GLU H H 1 7.573 0.005 . . . . . . A 25 GLU H . 34695 1 307 . 1 . 1 28 28 GLU HA H 1 2.266 0.005 . . . . . . A 25 GLU HA . 34695 1 308 . 1 . 1 28 28 GLU HB2 H 1 1.485 0.005 . . . . . . A 25 GLU HB2 . 34695 1 309 . 1 . 1 28 28 GLU HB3 H 1 0.572 0.004 . . . . . . A 25 GLU HB3 . 34695 1 310 . 1 . 1 28 28 GLU HG2 H 1 1.840 0.003 . . . . . . A 25 GLU HG2 . 34695 1 311 . 1 . 1 28 28 GLU HG3 H 1 1.481 0.008 . . . . . . A 25 GLU HG3 . 34695 1 312 . 1 . 1 28 28 GLU C C 13 175.038 0.006 . . . . . . A 25 GLU C . 34695 1 313 . 1 . 1 28 28 GLU CA C 13 56.303 0.083 . . . . . . A 25 GLU CA . 34695 1 314 . 1 . 1 28 28 GLU CB C 13 26.573 0.057 . . . . . . A 25 GLU CB . 34695 1 315 . 1 . 1 28 28 GLU CG C 13 37.013 0.083 . . . . . . A 25 GLU CG . 34695 1 316 . 1 . 1 28 28 GLU N N 15 122.543 0.057 . . . . . . A 25 GLU N . 34695 1 317 . 1 . 1 29 29 THR H H 1 8.388 0.045 . . . . . . A 26 THR H . 34695 1 318 . 1 . 1 29 29 THR HA H 1 3.821 0.000 . . . . . . A 26 THR HA . 34695 1 319 . 1 . 1 29 29 THR HB H 1 3.947 0.008 . . . . . . A 26 THR HB . 34695 1 320 . 1 . 1 29 29 THR HG21 H 1 1.132 0.007 . . . . . . A 26 THR HG21 . 34695 1 321 . 1 . 1 29 29 THR HG22 H 1 1.132 0.007 . . . . . . A 26 THR HG22 . 34695 1 322 . 1 . 1 29 29 THR HG23 H 1 1.132 0.007 . . . . . . A 26 THR HG23 . 34695 1 323 . 1 . 1 29 29 THR C C 13 175.054 0.000 . . . . . . A 26 THR C . 34695 1 324 . 1 . 1 29 29 THR CA C 13 64.749 0.072 . . . . . . A 26 THR CA . 34695 1 325 . 1 . 1 29 29 THR CB C 13 70.112 0.028 . . . . . . A 26 THR CB . 34695 1 326 . 1 . 1 29 29 THR CG2 C 13 22.202 0.073 . . . . . . A 26 THR CG2 . 34695 1 327 . 1 . 1 29 29 THR N N 15 116.157 0.130 . . . . . . A 26 THR N . 34695 1 328 . 1 . 1 30 30 GLU H H 1 8.699 0.004 . . . . . . A 27 GLU H . 34695 1 329 . 1 . 1 30 30 GLU HA H 1 5.013 0.003 . . . . . . A 27 GLU HA . 34695 1 330 . 1 . 1 30 30 GLU HB2 H 1 2.227 0.018 . . . . . . A 27 GLU HB2 . 34695 1 331 . 1 . 1 30 30 GLU HB3 H 1 2.168 0.001 . . . . . . A 27 GLU HB3 . 34695 1 332 . 1 . 1 30 30 GLU HG2 H 1 2.563 0.019 . . . . . . A 27 GLU HG2 . 34695 1 333 . 1 . 1 30 30 GLU HG3 H 1 2.729 0.001 . . . . . . A 27 GLU HG3 . 34695 1 334 . 1 . 1 30 30 GLU C C 13 175.570 0.006 . . . . . . A 27 GLU C . 34695 1 335 . 1 . 1 30 30 GLU CA C 13 56.466 0.074 . . . . . . A 27 GLU CA . 34695 1 336 . 1 . 1 30 30 GLU CB C 13 29.188 0.074 . . . . . . A 27 GLU CB . 34695 1 337 . 1 . 1 30 30 GLU CG C 13 36.455 0.084 . . . . . . A 27 GLU CG . 34695 1 338 . 1 . 1 30 30 GLU N N 15 129.106 0.052 . . . . . . A 27 GLU N . 34695 1 339 . 1 . 1 31 31 CYS H H 1 8.264 0.006 . . . . . . A 28 CYS H . 34695 1 340 . 1 . 1 31 31 CYS HA H 1 5.076 0.003 . . . . . . A 28 CYS HA . 34695 1 341 . 1 . 1 31 31 CYS HB2 H 1 3.555 0.003 . . . . . . A 28 CYS HB2 . 34695 1 342 . 1 . 1 31 31 CYS HB3 H 1 3.062 0.002 . . . . . . A 28 CYS HB3 . 34695 1 343 . 1 . 1 31 31 CYS C C 13 171.612 0.000 . . . . . . A 28 CYS C . 34695 1 344 . 1 . 1 31 31 CYS CA C 13 56.217 0.047 . . . . . . A 28 CYS CA . 34695 1 345 . 1 . 1 31 31 CYS CB C 13 30.306 0.080 . . . . . . A 28 CYS CB . 34695 1 346 . 1 . 1 31 31 CYS N N 15 119.147 0.179 . . . . . . A 28 CYS N . 34695 1 347 . 1 . 1 32 32 THR H H 1 10.993 0.009 . . . . . . A 29 THR H . 34695 1 348 . 1 . 1 32 32 THR HA H 1 4.718 0.008 . . . . . . A 29 THR HA . 34695 1 349 . 1 . 1 32 32 THR HB H 1 4.717 0.013 . . . . . . A 29 THR HB . 34695 1 350 . 1 . 1 32 32 THR HG21 H 1 1.071 0.006 . . . . . . A 29 THR HG21 . 34695 1 351 . 1 . 1 32 32 THR HG22 H 1 1.071 0.006 . . . . . . A 29 THR HG22 . 34695 1 352 . 1 . 1 32 32 THR HG23 H 1 1.071 0.006 . . . . . . A 29 THR HG23 . 34695 1 353 . 1 . 1 32 32 THR C C 13 174.058 0.038 . . . . . . A 29 THR C . 34695 1 354 . 1 . 1 32 32 THR CA C 13 63.212 0.040 . . . . . . A 29 THR CA . 34695 1 355 . 1 . 1 32 32 THR CB C 13 67.988 0.039 . . . . . . A 29 THR CB . 34695 1 356 . 1 . 1 32 32 THR CG2 C 13 22.049 0.055 . . . . . . A 29 THR CG2 . 34695 1 357 . 1 . 1 32 32 THR N N 15 123.293 0.022 . . . . . . A 29 THR N . 34695 1 358 . 1 . 1 33 33 VAL H H 1 8.870 0.006 . . . . . . A 30 VAL H . 34695 1 359 . 1 . 1 33 33 VAL HA H 1 5.202 0.003 . . . . . . A 30 VAL HA . 34695 1 360 . 1 . 1 33 33 VAL HB H 1 3.120 0.008 . . . . . . A 30 VAL HB . 34695 1 361 . 1 . 1 33 33 VAL HG11 H 1 0.756 0.002 . . . . . . A 30 VAL HG11 . 34695 1 362 . 1 . 1 33 33 VAL HG12 H 1 0.756 0.002 . . . . . . A 30 VAL HG12 . 34695 1 363 . 1 . 1 33 33 VAL HG13 H 1 0.756 0.002 . . . . . . A 30 VAL HG13 . 34695 1 364 . 1 . 1 33 33 VAL HG21 H 1 0.802 0.013 . . . . . . A 30 VAL HG21 . 34695 1 365 . 1 . 1 33 33 VAL HG22 H 1 0.802 0.013 . . . . . . A 30 VAL HG22 . 34695 1 366 . 1 . 1 33 33 VAL HG23 H 1 0.802 0.013 . . . . . . A 30 VAL HG23 . 34695 1 367 . 1 . 1 33 33 VAL C C 13 174.018 0.000 . . . . . . A 30 VAL C . 34695 1 368 . 1 . 1 33 33 VAL CA C 13 58.747 0.071 . . . . . . A 30 VAL CA . 34695 1 369 . 1 . 1 33 33 VAL CB C 13 33.501 0.067 . . . . . . A 30 VAL CB . 34695 1 370 . 1 . 1 33 33 VAL CG1 C 13 17.741 0.038 . . . . . . A 30 VAL CG1 . 34695 1 371 . 1 . 1 33 33 VAL CG2 C 13 22.286 0.030 . . . . . . A 30 VAL CG2 . 34695 1 372 . 1 . 1 33 33 VAL N N 15 118.488 0.123 . . . . . . A 30 VAL N . 34695 1 373 . 1 . 1 34 34 TYR H H 1 9.201 0.005 . . . . . . A 31 TYR H . 34695 1 374 . 1 . 1 34 34 TYR HA H 1 5.093 0.006 . . . . . . A 31 TYR HA . 34695 1 375 . 1 . 1 34 34 TYR HB2 H 1 3.088 0.004 . . . . . . A 31 TYR HB2 . 34695 1 376 . 1 . 1 34 34 TYR HB3 H 1 2.611 0.007 . . . . . . A 31 TYR HB3 . 34695 1 377 . 1 . 1 34 34 TYR HD1 H 1 7.006 0.000 . . . . . . A 31 TYR HD1 . 34695 1 378 . 1 . 1 34 34 TYR HD2 H 1 7.006 0.000 . . . . . . A 31 TYR HD2 . 34695 1 379 . 1 . 1 34 34 TYR HE1 H 1 6.552 0.000 . . . . . . A 31 TYR HE1 . 34695 1 380 . 1 . 1 34 34 TYR HE2 H 1 6.552 0.000 . . . . . . A 31 TYR HE2 . 34695 1 381 . 1 . 1 34 34 TYR C C 13 175.308 0.012 . . . . . . A 31 TYR C . 34695 1 382 . 1 . 1 34 34 TYR CA C 13 57.402 0.045 . . . . . . A 31 TYR CA . 34695 1 383 . 1 . 1 34 34 TYR CB C 13 40.610 0.051 . . . . . . A 31 TYR CB . 34695 1 384 . 1 . 1 34 34 TYR CD1 C 13 133.044 0.000 . . . . . . A 31 TYR CD1 . 34695 1 385 . 1 . 1 34 34 TYR CE2 C 13 118.235 0.000 . . . . . . A 31 TYR CE2 . 34695 1 386 . 1 . 1 34 34 TYR N N 15 117.200 0.149 . . . . . . A 31 TYR N . 34695 1 387 . 1 . 1 35 35 SER H H 1 8.749 0.004 . . . . . . A 32 SER H . 34695 1 388 . 1 . 1 35 35 SER HA H 1 4.817 0.009 . . . . . . A 32 SER HA . 34695 1 389 . 1 . 1 35 35 SER HB2 H 1 3.599 0.007 . . . . . . A 32 SER HB2 . 34695 1 390 . 1 . 1 35 35 SER HB3 H 1 2.112 0.000 . . . . . . A 32 SER HB3 . 34695 1 391 . 1 . 1 35 35 SER C C 13 171.345 0.004 . . . . . . A 32 SER C . 34695 1 392 . 1 . 1 35 35 SER CA C 13 56.755 0.072 . . . . . . A 32 SER CA . 34695 1 393 . 1 . 1 35 35 SER CB C 13 66.818 0.018 . . . . . . A 32 SER CB . 34695 1 394 . 1 . 1 35 35 SER N N 15 115.936 0.092 . . . . . . A 32 SER N . 34695 1 395 . 1 . 1 36 36 VAL H H 1 9.602 0.006 . . . . . . A 33 VAL H . 34695 1 396 . 1 . 1 36 36 VAL HA H 1 5.014 0.008 . . . . . . A 33 VAL HA . 34695 1 397 . 1 . 1 36 36 VAL HB H 1 1.766 0.005 . . . . . . A 33 VAL HB . 34695 1 398 . 1 . 1 36 36 VAL HG11 H 1 0.928 0.028 . . . . . . A 33 VAL HG11 . 34695 1 399 . 1 . 1 36 36 VAL HG12 H 1 0.928 0.028 . . . . . . A 33 VAL HG12 . 34695 1 400 . 1 . 1 36 36 VAL HG13 H 1 0.928 0.028 . . . . . . A 33 VAL HG13 . 34695 1 401 . 1 . 1 36 36 VAL HG21 H 1 0.905 0.020 . . . . . . A 33 VAL HG21 . 34695 1 402 . 1 . 1 36 36 VAL HG22 H 1 0.905 0.020 . . . . . . A 33 VAL HG22 . 34695 1 403 . 1 . 1 36 36 VAL HG23 H 1 0.905 0.020 . . . . . . A 33 VAL HG23 . 34695 1 404 . 1 . 1 36 36 VAL C C 13 176.886 0.004 . . . . . . A 33 VAL C . 34695 1 405 . 1 . 1 36 36 VAL CA C 13 60.355 0.079 . . . . . . A 33 VAL CA . 34695 1 406 . 1 . 1 36 36 VAL CB C 13 34.607 0.058 . . . . . . A 33 VAL CB . 34695 1 407 . 1 . 1 36 36 VAL CG1 C 13 21.434 0.088 . . . . . . A 33 VAL CG1 . 34695 1 408 . 1 . 1 36 36 VAL CG2 C 13 21.434 0.088 . . . . . . A 33 VAL CG2 . 34695 1 409 . 1 . 1 36 36 VAL N N 15 119.088 0.117 . . . . . . A 33 VAL N . 34695 1 410 . 1 . 1 37 37 ASP H H 1 8.857 0.004 . . . . . . A 34 ASP H . 34695 1 411 . 1 . 1 37 37 ASP HA H 1 4.937 0.009 . . . . . . A 34 ASP HA . 34695 1 412 . 1 . 1 37 37 ASP HB2 H 1 2.851 0.007 . . . . . . A 34 ASP HB2 . 34695 1 413 . 1 . 1 37 37 ASP HB3 H 1 3.415 0.012 . . . . . . A 34 ASP HB3 . 34695 1 414 . 1 . 1 37 37 ASP C C 13 178.818 0.008 . . . . . . A 34 ASP C . 34695 1 415 . 1 . 1 37 37 ASP CA C 13 52.491 0.052 . . . . . . A 34 ASP CA . 34695 1 416 . 1 . 1 37 37 ASP CB C 13 42.008 0.068 . . . . . . A 34 ASP CB . 34695 1 417 . 1 . 1 37 37 ASP N N 15 124.926 0.050 . . . . . . A 34 ASP N . 34695 1 418 . 1 . 1 38 38 SER H H 1 8.825 0.006 . . . . . . A 35 SER H . 34695 1 419 . 1 . 1 38 38 SER HA H 1 4.273 0.005 . . . . . . A 35 SER HA . 34695 1 420 . 1 . 1 38 38 SER HB2 H 1 4.019 0.015 . . . . . . A 35 SER HB2 . 34695 1 421 . 1 . 1 38 38 SER HB3 H 1 4.019 0.015 . . . . . . A 35 SER HB3 . 34695 1 422 . 1 . 1 38 38 SER C C 13 175.316 0.007 . . . . . . A 35 SER C . 34695 1 423 . 1 . 1 38 38 SER CA C 13 61.321 0.024 . . . . . . A 35 SER CA . 34695 1 424 . 1 . 1 38 38 SER CB C 13 63.248 0.011 . . . . . . A 35 SER CB . 34695 1 425 . 1 . 1 38 38 SER N N 15 113.880 0.074 . . . . . . A 35 SER N . 34695 1 426 . 1 . 1 39 39 ASP H H 1 8.280 0.009 . . . . . . A 36 ASP H . 34695 1 427 . 1 . 1 39 39 ASP HA H 1 4.962 0.006 . . . . . . A 36 ASP HA . 34695 1 428 . 1 . 1 39 39 ASP HB2 H 1 2.954 0.000 . . . . . . A 36 ASP HB2 . 34695 1 429 . 1 . 1 39 39 ASP HB3 H 1 2.845 0.001 . . . . . . A 36 ASP HB3 . 34695 1 430 . 1 . 1 39 39 ASP C C 13 176.882 0.007 . . . . . . A 36 ASP C . 34695 1 431 . 1 . 1 39 39 ASP CA C 13 54.484 0.059 . . . . . . A 36 ASP CA . 34695 1 432 . 1 . 1 39 39 ASP CB C 13 41.858 0.084 . . . . . . A 36 ASP CB . 34695 1 433 . 1 . 1 39 39 ASP N N 15 120.480 0.143 . . . . . . A 36 ASP N . 34695 1 434 . 1 . 1 40 40 GLY H H 1 8.357 0.005 . . . . . . A 37 GLY H . 34695 1 435 . 1 . 1 40 40 GLY HA2 H 1 4.374 0.006 . . . . . . A 37 GLY HA2 . 34695 1 436 . 1 . 1 40 40 GLY HA3 H 1 3.572 0.007 . . . . . . A 37 GLY HA3 . 34695 1 437 . 1 . 1 40 40 GLY C C 13 174.542 0.006 . . . . . . A 37 GLY C . 34695 1 438 . 1 . 1 40 40 GLY CA C 13 45.546 0.059 . . . . . . A 37 GLY CA . 34695 1 439 . 1 . 1 40 40 GLY N N 15 109.108 0.075 . . . . . . A 37 GLY N . 34695 1 440 . 1 . 1 41 41 SER H H 1 8.671 0.005 . . . . . . A 38 SER H . 34695 1 441 . 1 . 1 41 41 SER HA H 1 4.814 0.009 . . . . . . A 38 SER HA . 34695 1 442 . 1 . 1 41 41 SER HB2 H 1 4.105 0.006 . . . . . . A 38 SER HB2 . 34695 1 443 . 1 . 1 41 41 SER HB3 H 1 4.105 0.006 . . . . . . A 38 SER HB3 . 34695 1 444 . 1 . 1 41 41 SER C C 13 173.989 0.000 . . . . . . A 38 SER C . 34695 1 445 . 1 . 1 41 41 SER CA C 13 58.223 0.075 . . . . . . A 38 SER CA . 34695 1 446 . 1 . 1 41 41 SER CB C 13 63.854 0.072 . . . . . . A 38 SER CB . 34695 1 447 . 1 . 1 41 41 SER N N 15 119.557 0.160 . . . . . . A 38 SER N . 34695 1 448 . 1 . 1 42 42 THR H H 1 8.472 0.007 . . . . . . A 39 THR H . 34695 1 449 . 1 . 1 42 42 THR HA H 1 5.620 0.003 . . . . . . A 39 THR HA . 34695 1 450 . 1 . 1 42 42 THR HB H 1 4.269 0.006 . . . . . . A 39 THR HB . 34695 1 451 . 1 . 1 42 42 THR HG21 H 1 1.361 0.005 . . . . . . A 39 THR HG21 . 34695 1 452 . 1 . 1 42 42 THR HG22 H 1 1.361 0.005 . . . . . . A 39 THR HG22 . 34695 1 453 . 1 . 1 42 42 THR HG23 H 1 1.361 0.005 . . . . . . A 39 THR HG23 . 34695 1 454 . 1 . 1 42 42 THR C C 13 175.282 0.003 . . . . . . A 39 THR C . 34695 1 455 . 1 . 1 42 42 THR CA C 13 61.517 0.082 . . . . . . A 39 THR CA . 34695 1 456 . 1 . 1 42 42 THR CB C 13 70.838 0.126 . . . . . . A 39 THR CB . 34695 1 457 . 1 . 1 42 42 THR CG2 C 13 22.623 0.078 . . . . . . A 39 THR CG2 . 34695 1 458 . 1 . 1 42 42 THR N N 15 117.765 0.143 . . . . . . A 39 THR N . 34695 1 459 . 1 . 1 43 43 TYR H H 1 9.460 0.005 . . . . . . A 40 TYR H . 34695 1 460 . 1 . 1 43 43 TYR HA H 1 5.139 0.007 . . . . . . A 40 TYR HA . 34695 1 461 . 1 . 1 43 43 TYR HB2 H 1 3.212 0.023 . . . . . . A 40 TYR HB2 . 34695 1 462 . 1 . 1 43 43 TYR HB3 H 1 3.200 0.016 . . . . . . A 40 TYR HB3 . 34695 1 463 . 1 . 1 43 43 TYR HD1 H 1 7.102 0.008 . . . . . . A 40 TYR HD1 . 34695 1 464 . 1 . 1 43 43 TYR HD2 H 1 7.102 0.008 . . . . . . A 40 TYR HD2 . 34695 1 465 . 1 . 1 43 43 TYR HE1 H 1 6.434 0.000 . . . . . . A 40 TYR HE1 . 34695 1 466 . 1 . 1 43 43 TYR HE2 H 1 6.434 0.000 . . . . . . A 40 TYR HE2 . 34695 1 467 . 1 . 1 43 43 TYR C C 13 172.210 0.005 . . . . . . A 40 TYR C . 34695 1 468 . 1 . 1 43 43 TYR CA C 13 56.244 0.056 . . . . . . A 40 TYR CA . 34695 1 469 . 1 . 1 43 43 TYR CB C 13 39.774 0.024 . . . . . . A 40 TYR CB . 34695 1 470 . 1 . 1 43 43 TYR CD1 C 13 135.089 0.000 . . . . . . A 40 TYR CD1 . 34695 1 471 . 1 . 1 43 43 TYR CE1 C 13 117.940 0.000 . . . . . . A 40 TYR CE1 . 34695 1 472 . 1 . 1 43 43 TYR N N 15 123.889 0.076 . . . . . . A 40 TYR N . 34695 1 473 . 1 . 1 44 44 THR H H 1 7.987 0.008 . . . . . . A 41 THR H . 34695 1 474 . 1 . 1 44 44 THR HA H 1 5.544 0.003 . . . . . . A 41 THR HA . 34695 1 475 . 1 . 1 44 44 THR HB H 1 3.913 0.006 . . . . . . A 41 THR HB . 34695 1 476 . 1 . 1 44 44 THR HG21 H 1 0.447 0.004 . . . . . . A 41 THR HG21 . 34695 1 477 . 1 . 1 44 44 THR HG22 H 1 0.447 0.004 . . . . . . A 41 THR HG22 . 34695 1 478 . 1 . 1 44 44 THR HG23 H 1 0.447 0.004 . . . . . . A 41 THR HG23 . 34695 1 479 . 1 . 1 44 44 THR C C 13 174.991 0.015 . . . . . . A 41 THR C . 34695 1 480 . 1 . 1 44 44 THR CA C 13 58.228 0.059 . . . . . . A 41 THR CA . 34695 1 481 . 1 . 1 44 44 THR CB C 13 71.169 0.073 . . . . . . A 41 THR CB . 34695 1 482 . 1 . 1 44 44 THR CG2 C 13 21.712 0.055 . . . . . . A 41 THR CG2 . 34695 1 483 . 1 . 1 44 44 THR N N 15 107.350 0.077 . . . . . . A 41 THR N . 34695 1 484 . 1 . 1 45 45 GLN H H 1 8.882 0.005 . . . . . . A 42 GLN H . 34695 1 485 . 1 . 1 45 45 GLN HA H 1 5.006 0.007 . . . . . . A 42 GLN HA . 34695 1 486 . 1 . 1 45 45 GLN HB2 H 1 2.086 0.004 . . . . . . A 42 GLN HB2 . 34695 1 487 . 1 . 1 45 45 GLN HB3 H 1 2.086 0.004 . . . . . . A 42 GLN HB3 . 34695 1 488 . 1 . 1 45 45 GLN HG2 H 1 2.392 0.020 . . . . . . A 42 GLN HG2 . 34695 1 489 . 1 . 1 45 45 GLN HG3 H 1 2.392 0.020 . . . . . . A 42 GLN HG3 . 34695 1 490 . 1 . 1 45 45 GLN HE21 H 1 7.555 0.004 . . . . . . A 42 GLN HE21 . 34695 1 491 . 1 . 1 45 45 GLN HE22 H 1 6.921 0.004 . . . . . . A 42 GLN HE22 . 34695 1 492 . 1 . 1 45 45 GLN C C 13 173.493 0.002 . . . . . . A 42 GLN C . 34695 1 493 . 1 . 1 45 45 GLN CA C 13 54.835 0.031 . . . . . . A 42 GLN CA . 34695 1 494 . 1 . 1 45 45 GLN CB C 13 31.658 0.127 . . . . . . A 42 GLN CB . 34695 1 495 . 1 . 1 45 45 GLN CG C 13 31.640 0.097 . . . . . . A 42 GLN CG . 34695 1 496 . 1 . 1 45 45 GLN CD C 13 180.531 0.008 . . . . . . A 42 GLN CD . 34695 1 497 . 1 . 1 45 45 GLN N N 15 116.444 0.146 . . . . . . A 42 GLN N . 34695 1 498 . 1 . 1 45 45 GLN NE2 N 15 112.562 0.023 . . . . . . A 42 GLN NE2 . 34695 1 499 . 1 . 1 46 46 GLY H H 1 8.850 0.004 . . . . . . A 43 GLY H . 34695 1 500 . 1 . 1 46 46 GLY HA2 H 1 3.792 0.003 . . . . . . A 43 GLY HA2 . 34695 1 501 . 1 . 1 46 46 GLY HA3 H 1 4.798 0.004 . . . . . . A 43 GLY HA3 . 34695 1 502 . 1 . 1 46 46 GLY C C 13 174.634 0.002 . . . . . . A 43 GLY C . 34695 1 503 . 1 . 1 46 46 GLY CA C 13 45.412 0.063 . . . . . . A 43 GLY CA . 34695 1 504 . 1 . 1 46 46 GLY N N 15 107.944 0.049 . . . . . . A 43 GLY N . 34695 1 505 . 1 . 1 47 47 VAL H H 1 8.429 0.004 . . . . . . A 44 VAL H . 34695 1 506 . 1 . 1 47 47 VAL HA H 1 3.585 0.009 . . . . . . A 44 VAL HA . 34695 1 507 . 1 . 1 47 47 VAL HB H 1 1.914 0.005 . . . . . . A 44 VAL HB . 34695 1 508 . 1 . 1 47 47 VAL HG11 H 1 0.091 0.005 . . . . . . A 44 VAL HG11 . 34695 1 509 . 1 . 1 47 47 VAL HG12 H 1 0.091 0.005 . . . . . . A 44 VAL HG12 . 34695 1 510 . 1 . 1 47 47 VAL HG13 H 1 0.091 0.005 . . . . . . A 44 VAL HG13 . 34695 1 511 . 1 . 1 47 47 VAL HG21 H 1 0.916 0.007 . . . . . . A 44 VAL HG21 . 34695 1 512 . 1 . 1 47 47 VAL HG22 H 1 0.916 0.007 . . . . . . A 44 VAL HG22 . 34695 1 513 . 1 . 1 47 47 VAL HG23 H 1 0.916 0.007 . . . . . . A 44 VAL HG23 . 34695 1 514 . 1 . 1 47 47 VAL C C 13 175.492 0.008 . . . . . . A 44 VAL C . 34695 1 515 . 1 . 1 47 47 VAL CA C 13 65.621 0.056 . . . . . . A 44 VAL CA . 34695 1 516 . 1 . 1 47 47 VAL CB C 13 31.980 0.048 . . . . . . A 44 VAL CB . 34695 1 517 . 1 . 1 47 47 VAL CG1 C 13 21.272 0.045 . . . . . . A 44 VAL CG1 . 34695 1 518 . 1 . 1 47 47 VAL CG2 C 13 25.944 0.025 . . . . . . A 44 VAL CG2 . 34695 1 519 . 1 . 1 47 47 VAL N N 15 122.061 0.087 . . . . . . A 44 VAL N . 34695 1 520 . 1 . 1 48 48 ALA H H 1 8.619 0.004 . . . . . . A 45 ALA H . 34695 1 521 . 1 . 1 48 48 ALA HA H 1 4.406 0.004 . . . . . . A 45 ALA HA . 34695 1 522 . 1 . 1 48 48 ALA HB1 H 1 1.290 0.009 . . . . . . A 45 ALA HB1 . 34695 1 523 . 1 . 1 48 48 ALA HB2 H 1 1.290 0.009 . . . . . . A 45 ALA HB2 . 34695 1 524 . 1 . 1 48 48 ALA HB3 H 1 1.290 0.009 . . . . . . A 45 ALA HB3 . 34695 1 525 . 1 . 1 48 48 ALA C C 13 176.045 0.010 . . . . . . A 45 ALA C . 34695 1 526 . 1 . 1 48 48 ALA CA C 13 51.794 0.043 . . . . . . A 45 ALA CA . 34695 1 527 . 1 . 1 48 48 ALA CB C 13 22.286 0.047 . . . . . . A 45 ALA CB . 34695 1 528 . 1 . 1 48 48 ALA N N 15 128.558 0.056 . . . . . . A 45 ALA N . 34695 1 529 . 1 . 1 49 49 GLU H H 1 6.922 0.005 . . . . . . A 46 GLU H . 34695 1 530 . 1 . 1 49 49 GLU HA H 1 4.295 0.002 . . . . . . A 46 GLU HA . 34695 1 531 . 1 . 1 49 49 GLU HB2 H 1 1.583 0.002 . . . . . . A 46 GLU HB2 . 34695 1 532 . 1 . 1 49 49 GLU HB3 H 1 1.283 0.007 . . . . . . A 46 GLU HB3 . 34695 1 533 . 1 . 1 49 49 GLU HG2 H 1 2.179 0.008 . . . . . . A 46 GLU HG2 . 34695 1 534 . 1 . 1 49 49 GLU HG3 H 1 1.930 0.007 . . . . . . A 46 GLU HG3 . 34695 1 535 . 1 . 1 49 49 GLU C C 13 173.208 0.002 . . . . . . A 46 GLU C . 34695 1 536 . 1 . 1 49 49 GLU CA C 13 54.661 0.046 . . . . . . A 46 GLU CA . 34695 1 537 . 1 . 1 49 49 GLU CB C 13 35.136 0.064 . . . . . . A 46 GLU CB . 34695 1 538 . 1 . 1 49 49 GLU CG C 13 36.052 0.015 . . . . . . A 46 GLU CG . 34695 1 539 . 1 . 1 49 49 GLU N N 15 114.405 0.175 . . . . . . A 46 GLU N . 34695 1 540 . 1 . 1 50 50 TRP H H 1 8.603 0.003 . . . . . . A 47 TRP H . 34695 1 541 . 1 . 1 50 50 TRP HA H 1 4.583 0.005 . . . . . . A 47 TRP HA . 34695 1 542 . 1 . 1 50 50 TRP HB2 H 1 3.249 0.006 . . . . . . A 47 TRP HB2 . 34695 1 543 . 1 . 1 50 50 TRP HB3 H 1 3.499 0.002 . . . . . . A 47 TRP HB3 . 34695 1 544 . 1 . 1 50 50 TRP C C 13 174.328 0.001 . . . . . . A 47 TRP C . 34695 1 545 . 1 . 1 50 50 TRP CA C 13 58.732 0.056 . . . . . . A 47 TRP CA . 34695 1 546 . 1 . 1 50 50 TRP CB C 13 31.526 0.078 . . . . . . A 47 TRP CB . 34695 1 547 . 1 . 1 50 50 TRP N N 15 122.619 0.087 . . . . . . A 47 TRP N . 34695 1 548 . 1 . 1 51 51 HIS H H 1 8.661 0.004 . . . . . . A 48 HIS H . 34695 1 549 . 1 . 1 51 51 HIS HA H 1 5.249 0.006 . . . . . . A 48 HIS HA . 34695 1 550 . 1 . 1 51 51 HIS HB2 H 1 2.772 0.009 . . . . . . A 48 HIS HB2 . 34695 1 551 . 1 . 1 51 51 HIS HB3 H 1 2.978 0.012 . . . . . . A 48 HIS HB3 . 34695 1 552 . 1 . 1 51 51 HIS CA C 13 55.226 0.059 . . . . . . A 48 HIS CA . 34695 1 553 . 1 . 1 51 51 HIS CB C 13 32.627 0.153 . . . . . . A 48 HIS CB . 34695 1 554 . 1 . 1 51 51 HIS N N 15 120.166 0.080 . . . . . . A 48 HIS N . 34695 1 555 . 1 . 1 52 52 ASP H H 1 9.140 0.004 . . . . . . A 49 ASP H . 34695 1 556 . 1 . 1 52 52 ASP HA H 1 4.862 0.007 . . . . . . A 49 ASP HA . 34695 1 557 . 1 . 1 52 52 ASP HB2 H 1 2.741 0.010 . . . . . . A 49 ASP HB2 . 34695 1 558 . 1 . 1 52 52 ASP HB3 H 1 3.165 0.005 . . . . . . A 49 ASP HB3 . 34695 1 559 . 1 . 1 52 52 ASP C C 13 177.386 0.007 . . . . . . A 49 ASP C . 34695 1 560 . 1 . 1 52 52 ASP CA C 13 53.839 0.017 . . . . . . A 49 ASP CA . 34695 1 561 . 1 . 1 52 52 ASP CB C 13 41.067 0.067 . . . . . . A 49 ASP CB . 34695 1 562 . 1 . 1 52 52 ASP N N 15 127.566 0.039 . . . . . . A 49 ASP N . 34695 1 563 . 1 . 1 53 53 ARG H H 1 8.073 0.006 . . . . . . A 50 ARG H . 34695 1 564 . 1 . 1 53 53 ARG HA H 1 4.578 0.006 . . . . . . A 50 ARG HA . 34695 1 565 . 1 . 1 53 53 ARG HB2 H 1 1.398 0.003 . . . . . . A 50 ARG HB2 . 34695 1 566 . 1 . 1 53 53 ARG HB3 H 1 1.894 0.009 . . . . . . A 50 ARG HB3 . 34695 1 567 . 1 . 1 53 53 ARG HG2 H 1 1.574 0.007 . . . . . . A 50 ARG HG2 . 34695 1 568 . 1 . 1 53 53 ARG HG3 H 1 1.574 0.007 . . . . . . A 50 ARG HG3 . 34695 1 569 . 1 . 1 53 53 ARG HD2 H 1 3.352 0.000 . . . . . . A 50 ARG HD2 . 34695 1 570 . 1 . 1 53 53 ARG HD3 H 1 3.048 0.012 . . . . . . A 50 ARG HD3 . 34695 1 571 . 1 . 1 53 53 ARG C C 13 175.962 0.010 . . . . . . A 50 ARG C . 34695 1 572 . 1 . 1 53 53 ARG CA C 13 54.802 0.039 . . . . . . A 50 ARG CA . 34695 1 573 . 1 . 1 53 53 ARG CB C 13 30.184 0.051 . . . . . . A 50 ARG CB . 34695 1 574 . 1 . 1 53 53 ARG CG C 13 27.136 0.063 . . . . . . A 50 ARG CG . 34695 1 575 . 1 . 1 53 53 ARG CD C 13 43.458 0.043 . . . . . . A 50 ARG CD . 34695 1 576 . 1 . 1 53 53 ARG N N 15 124.008 0.062 . . . . . . A 50 ARG N . 34695 1 577 . 1 . 1 54 54 GLY H H 1 8.547 0.006 . . . . . . A 51 GLY H . 34695 1 578 . 1 . 1 54 54 GLY HA2 H 1 3.995 0.022 . . . . . . A 51 GLY HA2 . 34695 1 579 . 1 . 1 54 54 GLY HA3 H 1 4.026 0.022 . . . . . . A 51 GLY HA3 . 34695 1 580 . 1 . 1 54 54 GLY C C 13 171.719 0.003 . . . . . . A 51 GLY C . 34695 1 581 . 1 . 1 54 54 GLY CA C 13 45.498 0.032 . . . . . . A 51 GLY CA . 34695 1 582 . 1 . 1 54 54 GLY N N 15 110.365 0.077 . . . . . . A 51 GLY N . 34695 1 583 . 1 . 1 55 55 GLU H H 1 8.101 0.006 . . . . . . A 52 GLU H . 34695 1 584 . 1 . 1 55 55 GLU HA H 1 4.898 0.006 . . . . . . A 52 GLU HA . 34695 1 585 . 1 . 1 55 55 GLU HB2 H 1 1.894 0.014 . . . . . . A 52 GLU HB2 . 34695 1 586 . 1 . 1 55 55 GLU HB3 H 1 1.988 0.000 . . . . . . A 52 GLU HB3 . 34695 1 587 . 1 . 1 55 55 GLU HG2 H 1 1.989 0.014 . . . . . . A 52 GLU HG2 . 34695 1 588 . 1 . 1 55 55 GLU HG3 H 1 2.054 0.002 . . . . . . A 52 GLU HG3 . 34695 1 589 . 1 . 1 55 55 GLU C C 13 176.919 0.003 . . . . . . A 52 GLU C . 34695 1 590 . 1 . 1 55 55 GLU CA C 13 55.394 0.042 . . . . . . A 52 GLU CA . 34695 1 591 . 1 . 1 55 55 GLU CB C 13 30.738 0.101 . . . . . . A 52 GLU CB . 34695 1 592 . 1 . 1 55 55 GLU CG C 13 36.873 0.008 . . . . . . A 52 GLU CG . 34695 1 593 . 1 . 1 55 55 GLU N N 15 120.938 0.143 . . . . . . A 52 GLU N . 34695 1 594 . 1 . 1 56 56 GLN H H 1 8.716 0.004 . . . . . . A 53 GLN H . 34695 1 595 . 1 . 1 56 56 GLN HA H 1 4.965 0.006 . . . . . . A 53 GLN HA . 34695 1 596 . 1 . 1 56 56 GLN HB2 H 1 1.595 0.010 . . . . . . A 53 GLN HB2 . 34695 1 597 . 1 . 1 56 56 GLN HB3 H 1 2.564 0.004 . . . . . . A 53 GLN HB3 . 34695 1 598 . 1 . 1 56 56 GLN HG2 H 1 2.490 0.010 . . . . . . A 53 GLN HG2 . 34695 1 599 . 1 . 1 56 56 GLN HG3 H 1 2.193 0.018 . . . . . . A 53 GLN HG3 . 34695 1 600 . 1 . 1 56 56 GLN HE21 H 1 7.326 0.003 . . . . . . A 53 GLN HE21 . 34695 1 601 . 1 . 1 56 56 GLN HE22 H 1 7.201 0.003 . . . . . . A 53 GLN HE22 . 34695 1 602 . 1 . 1 56 56 GLN C C 13 174.261 0.001 . . . . . . A 53 GLN C . 34695 1 603 . 1 . 1 56 56 GLN CA C 13 54.282 0.065 . . . . . . A 53 GLN CA . 34695 1 604 . 1 . 1 56 56 GLN CB C 13 34.868 0.114 . . . . . . A 53 GLN CB . 34695 1 605 . 1 . 1 56 56 GLN CG C 13 34.451 0.002 . . . . . . A 53 GLN CG . 34695 1 606 . 1 . 1 56 56 GLN CD C 13 179.793 0.002 . . . . . . A 53 GLN CD . 34695 1 607 . 1 . 1 56 56 GLN N N 15 123.421 0.073 . . . . . . A 53 GLN N . 34695 1 608 . 1 . 1 56 56 GLN NE2 N 15 111.630 0.034 . . . . . . A 53 GLN NE2 . 34695 1 609 . 1 . 1 57 57 GLU H H 1 8.568 0.005 . . . . . . A 54 GLU H . 34695 1 610 . 1 . 1 57 57 GLU HA H 1 4.421 0.016 . . . . . . A 54 GLU HA . 34695 1 611 . 1 . 1 57 57 GLU HB2 H 1 2.064 0.000 . . . . . . A 54 GLU HB2 . 34695 1 612 . 1 . 1 57 57 GLU HB3 H 1 2.064 0.000 . . . . . . A 54 GLU HB3 . 34695 1 613 . 1 . 1 57 57 GLU HG2 H 1 2.651 0.000 . . . . . . A 54 GLU HG2 . 34695 1 614 . 1 . 1 57 57 GLU HG3 H 1 2.508 0.000 . . . . . . A 54 GLU HG3 . 34695 1 615 . 1 . 1 57 57 GLU C C 13 175.699 0.005 . . . . . . A 54 GLU C . 34695 1 616 . 1 . 1 57 57 GLU CA C 13 57.609 0.068 . . . . . . A 54 GLU CA . 34695 1 617 . 1 . 1 57 57 GLU CB C 13 30.578 0.031 . . . . . . A 54 GLU CB . 34695 1 618 . 1 . 1 57 57 GLU CG C 13 36.692 0.003 . . . . . . A 54 GLU CG . 34695 1 619 . 1 . 1 57 57 GLU N N 15 118.831 0.151 . . . . . . A 54 GLU N . 34695 1 620 . 1 . 1 58 58 VAL H H 1 8.531 0.003 . . . . . . A 55 VAL H . 34695 1 621 . 1 . 1 58 58 VAL HA H 1 4.217 0.009 . . . . . . A 55 VAL HA . 34695 1 622 . 1 . 1 58 58 VAL HB H 1 1.778 0.006 . . . . . . A 55 VAL HB . 34695 1 623 . 1 . 1 58 58 VAL HG11 H 1 0.815 0.025 . . . . . . A 55 VAL HG11 . 34695 1 624 . 1 . 1 58 58 VAL HG12 H 1 0.815 0.025 . . . . . . A 55 VAL HG12 . 34695 1 625 . 1 . 1 58 58 VAL HG13 H 1 0.815 0.025 . . . . . . A 55 VAL HG13 . 34695 1 626 . 1 . 1 58 58 VAL HG21 H 1 0.783 0.005 . . . . . . A 55 VAL HG21 . 34695 1 627 . 1 . 1 58 58 VAL HG22 H 1 0.783 0.005 . . . . . . A 55 VAL HG22 . 34695 1 628 . 1 . 1 58 58 VAL HG23 H 1 0.783 0.005 . . . . . . A 55 VAL HG23 . 34695 1 629 . 1 . 1 58 58 VAL C C 13 174.025 0.004 . . . . . . A 55 VAL C . 34695 1 630 . 1 . 1 58 58 VAL CA C 13 62.473 0.066 . . . . . . A 55 VAL CA . 34695 1 631 . 1 . 1 58 58 VAL CB C 13 34.023 0.094 . . . . . . A 55 VAL CB . 34695 1 632 . 1 . 1 58 58 VAL CG1 C 13 23.936 0.051 . . . . . . A 55 VAL CG1 . 34695 1 633 . 1 . 1 58 58 VAL CG2 C 13 23.053 0.000 . . . . . . A 55 VAL CG2 . 34695 1 634 . 1 . 1 58 58 VAL N N 15 124.504 0.080 . . . . . . A 55 VAL N . 34695 1 635 . 1 . 1 59 59 PHE H H 1 8.804 0.004 . . . . . . A 56 PHE H . 34695 1 636 . 1 . 1 59 59 PHE HA H 1 4.889 0.009 . . . . . . A 56 PHE HA . 34695 1 637 . 1 . 1 59 59 PHE HB2 H 1 3.039 0.007 . . . . . . A 56 PHE HB2 . 34695 1 638 . 1 . 1 59 59 PHE HB3 H 1 3.041 0.006 . . . . . . A 56 PHE HB3 . 34695 1 639 . 1 . 1 59 59 PHE HD1 H 1 7.189 0.000 . . . . . . A 56 PHE HD1 . 34695 1 640 . 1 . 1 59 59 PHE HD2 H 1 7.189 0.000 . . . . . . A 56 PHE HD2 . 34695 1 641 . 1 . 1 59 59 PHE HE1 H 1 7.189 0.000 . . . . . . A 56 PHE HE1 . 34695 1 642 . 1 . 1 59 59 PHE HE2 H 1 7.189 0.000 . . . . . . A 56 PHE HE2 . 34695 1 643 . 1 . 1 59 59 PHE HZ H 1 7.189 0.000 . . . . . . A 56 PHE HZ . 34695 1 644 . 1 . 1 59 59 PHE C C 13 172.678 0.004 . . . . . . A 56 PHE C . 34695 1 645 . 1 . 1 59 59 PHE CA C 13 56.253 0.052 . . . . . . A 56 PHE CA . 34695 1 646 . 1 . 1 59 59 PHE CB C 13 42.699 0.080 . . . . . . A 56 PHE CB . 34695 1 647 . 1 . 1 59 59 PHE CD2 C 13 132.984 0.000 . . . . . . A 56 PHE CD2 . 34695 1 648 . 1 . 1 59 59 PHE N N 15 126.509 0.025 . . . . . . A 56 PHE N . 34695 1 649 . 1 . 1 60 60 GLU H H 1 9.248 0.005 . . . . . . A 57 GLU H . 34695 1 650 . 1 . 1 60 60 GLU HA H 1 5.088 0.007 . . . . . . A 57 GLU HA . 34695 1 651 . 1 . 1 60 60 GLU HB2 H 1 1.822 0.026 . . . . . . A 57 GLU HB2 . 34695 1 652 . 1 . 1 60 60 GLU HB3 H 1 1.822 0.026 . . . . . . A 57 GLU HB3 . 34695 1 653 . 1 . 1 60 60 GLU HG2 H 1 2.023 0.009 . . . . . . A 57 GLU HG2 . 34695 1 654 . 1 . 1 60 60 GLU HG3 H 1 2.023 0.009 . . . . . . A 57 GLU HG3 . 34695 1 655 . 1 . 1 60 60 GLU C C 13 175.236 0.011 . . . . . . A 57 GLU C . 34695 1 656 . 1 . 1 60 60 GLU CA C 13 54.925 0.044 . . . . . . A 57 GLU CA . 34695 1 657 . 1 . 1 60 60 GLU CB C 13 32.276 0.031 . . . . . . A 57 GLU CB . 34695 1 658 . 1 . 1 60 60 GLU CG C 13 38.304 0.075 . . . . . . A 57 GLU CG . 34695 1 659 . 1 . 1 60 60 GLU N N 15 120.146 0.121 . . . . . . A 57 GLU N . 34695 1 660 . 1 . 1 61 61 TYR H H 1 9.856 0.006 . . . . . . A 58 TYR H . 34695 1 661 . 1 . 1 61 61 TYR HA H 1 5.021 0.005 . . . . . . A 58 TYR HA . 34695 1 662 . 1 . 1 61 61 TYR HB2 H 1 2.735 0.024 . . . . . . A 58 TYR HB2 . 34695 1 663 . 1 . 1 61 61 TYR HB3 H 1 2.735 0.024 . . . . . . A 58 TYR HB3 . 34695 1 664 . 1 . 1 61 61 TYR HD1 H 1 7.186 0.000 . . . . . . A 58 TYR HD1 . 34695 1 665 . 1 . 1 61 61 TYR HD2 H 1 7.186 0.000 . . . . . . A 58 TYR HD2 . 34695 1 666 . 1 . 1 61 61 TYR HE1 H 1 6.663 0.000 . . . . . . A 58 TYR HE1 . 34695 1 667 . 1 . 1 61 61 TYR HE2 H 1 6.663 0.000 . . . . . . A 58 TYR HE2 . 34695 1 668 . 1 . 1 61 61 TYR C C 13 174.904 0.005 . . . . . . A 58 TYR C . 34695 1 669 . 1 . 1 61 61 TYR CA C 13 57.298 0.084 . . . . . . A 58 TYR CA . 34695 1 670 . 1 . 1 61 61 TYR CB C 13 38.169 0.085 . . . . . . A 58 TYR CB . 34695 1 671 . 1 . 1 61 61 TYR CD2 C 13 132.224 0.000 . . . . . . A 58 TYR CD2 . 34695 1 672 . 1 . 1 61 61 TYR CE1 C 13 118.346 0.000 . . . . . . A 58 TYR CE1 . 34695 1 673 . 1 . 1 61 61 TYR N N 15 130.455 0.043 . . . . . . A 58 TYR N . 34695 1 674 . 1 . 1 62 62 CYS H H 1 8.647 0.005 . . . . . . A 59 CYS H . 34695 1 675 . 1 . 1 62 62 CYS HA H 1 5.288 0.003 . . . . . . A 59 CYS HA . 34695 1 676 . 1 . 1 62 62 CYS HB2 H 1 2.823 0.009 . . . . . . A 59 CYS HB2 . 34695 1 677 . 1 . 1 62 62 CYS HB3 H 1 3.099 0.006 . . . . . . A 59 CYS HB3 . 34695 1 678 . 1 . 1 62 62 CYS C C 13 174.438 0.011 . . . . . . A 59 CYS C . 34695 1 679 . 1 . 1 62 62 CYS CA C 13 57.737 0.092 . . . . . . A 59 CYS CA . 34695 1 680 . 1 . 1 62 62 CYS CB C 13 29.057 0.041 . . . . . . A 59 CYS CB . 34695 1 681 . 1 . 1 62 62 CYS N N 15 122.014 0.127 . . . . . . A 59 CYS N . 34695 1 682 . 1 . 1 63 63 LEU H H 1 9.171 0.005 . . . . . . A 60 LEU H . 34695 1 683 . 1 . 1 63 63 LEU HA H 1 5.007 0.007 . . . . . . A 60 LEU HA . 34695 1 684 . 1 . 1 63 63 LEU HB2 H 1 1.984 0.011 . . . . . . A 60 LEU HB2 . 34695 1 685 . 1 . 1 63 63 LEU HB3 H 1 2.212 0.008 . . . . . . A 60 LEU HB3 . 34695 1 686 . 1 . 1 63 63 LEU HG H 1 0.866 0.004 . . . . . . A 60 LEU HG . 34695 1 687 . 1 . 1 63 63 LEU HD11 H 1 0.738 0.002 . . . . . . A 60 LEU HD11 . 34695 1 688 . 1 . 1 63 63 LEU HD12 H 1 0.738 0.002 . . . . . . A 60 LEU HD12 . 34695 1 689 . 1 . 1 63 63 LEU HD13 H 1 0.738 0.002 . . . . . . A 60 LEU HD13 . 34695 1 690 . 1 . 1 63 63 LEU HD21 H 1 0.868 0.008 . . . . . . A 60 LEU HD21 . 34695 1 691 . 1 . 1 63 63 LEU HD22 H 1 0.868 0.008 . . . . . . A 60 LEU HD22 . 34695 1 692 . 1 . 1 63 63 LEU HD23 H 1 0.868 0.008 . . . . . . A 60 LEU HD23 . 34695 1 693 . 1 . 1 63 63 LEU C C 13 179.301 0.020 . . . . . . A 60 LEU C . 34695 1 694 . 1 . 1 63 63 LEU CA C 13 56.737 0.071 . . . . . . A 60 LEU CA . 34695 1 695 . 1 . 1 63 63 LEU CB C 13 42.906 0.091 . . . . . . A 60 LEU CB . 34695 1 696 . 1 . 1 63 63 LEU CG C 13 27.103 0.033 . . . . . . A 60 LEU CG . 34695 1 697 . 1 . 1 63 63 LEU CD1 C 13 24.106 0.038 . . . . . . A 60 LEU CD1 . 34695 1 698 . 1 . 1 63 63 LEU CD2 C 13 27.276 0.027 . . . . . . A 60 LEU CD2 . 34695 1 699 . 1 . 1 63 63 LEU N N 15 128.346 0.086 . . . . . . A 60 LEU N . 34695 1 700 . 1 . 1 64 64 GLU H H 1 9.388 0.006 . . . . . . A 61 GLU H . 34695 1 701 . 1 . 1 64 64 GLU HA H 1 4.177 0.010 . . . . . . A 61 GLU HA . 34695 1 702 . 1 . 1 64 64 GLU HB2 H 1 2.254 0.010 . . . . . . A 61 GLU HB2 . 34695 1 703 . 1 . 1 64 64 GLU HB3 H 1 2.398 0.000 . . . . . . A 61 GLU HB3 . 34695 1 704 . 1 . 1 64 64 GLU HG2 H 1 2.583 0.005 . . . . . . A 61 GLU HG2 . 34695 1 705 . 1 . 1 64 64 GLU HG3 H 1 2.290 0.004 . . . . . . A 61 GLU HG3 . 34695 1 706 . 1 . 1 64 64 GLU C C 13 176.608 0.001 . . . . . . A 61 GLU C . 34695 1 707 . 1 . 1 64 64 GLU CA C 13 59.886 0.076 . . . . . . A 61 GLU CA . 34695 1 708 . 1 . 1 64 64 GLU CB C 13 29.646 0.096 . . . . . . A 61 GLU CB . 34695 1 709 . 1 . 1 64 64 GLU CG C 13 37.337 0.078 . . . . . . A 61 GLU CG . 34695 1 710 . 1 . 1 64 64 GLU N N 15 121.271 0.117 . . . . . . A 61 GLU N . 34695 1 711 . 1 . 1 65 65 ASP H H 1 7.719 0.005 . . . . . . A 62 ASP H . 34695 1 712 . 1 . 1 65 65 ASP HA H 1 4.714 0.009 . . . . . . A 62 ASP HA . 34695 1 713 . 1 . 1 65 65 ASP HB2 H 1 3.029 0.015 . . . . . . A 62 ASP HB2 . 34695 1 714 . 1 . 1 65 65 ASP HB3 H 1 3.019 0.012 . . . . . . A 62 ASP HB3 . 34695 1 715 . 1 . 1 65 65 ASP C C 13 177.439 0.011 . . . . . . A 62 ASP C . 34695 1 716 . 1 . 1 65 65 ASP CA C 13 53.523 0.057 . . . . . . A 62 ASP CA . 34695 1 717 . 1 . 1 65 65 ASP CB C 13 40.162 0.059 . . . . . . A 62 ASP CB . 34695 1 718 . 1 . 1 65 65 ASP N N 15 115.116 0.158 . . . . . . A 62 ASP N . 34695 1 719 . 1 . 1 66 66 GLY H H 1 8.165 0.005 . . . . . . A 63 GLY H . 34695 1 720 . 1 . 1 66 66 GLY HA2 H 1 3.734 0.010 . . . . . . A 63 GLY HA2 . 34695 1 721 . 1 . 1 66 66 GLY HA3 H 1 4.540 0.003 . . . . . . A 63 GLY HA3 . 34695 1 722 . 1 . 1 66 66 GLY C C 13 175.178 0.002 . . . . . . A 63 GLY C . 34695 1 723 . 1 . 1 66 66 GLY CA C 13 45.200 0.068 . . . . . . A 63 GLY CA . 34695 1 724 . 1 . 1 66 66 GLY N N 15 108.676 0.085 . . . . . . A 63 GLY N . 34695 1 725 . 1 . 1 67 67 SER H H 1 8.375 0.004 . . . . . . A 64 SER H . 34695 1 726 . 1 . 1 67 67 SER HA H 1 4.624 0.008 . . . . . . A 64 SER HA . 34695 1 727 . 1 . 1 67 67 SER HB2 H 1 4.208 0.005 . . . . . . A 64 SER HB2 . 34695 1 728 . 1 . 1 67 67 SER HB3 H 1 4.208 0.005 . . . . . . A 64 SER HB3 . 34695 1 729 . 1 . 1 67 67 SER C C 13 173.355 0.010 . . . . . . A 64 SER C . 34695 1 730 . 1 . 1 67 67 SER CA C 13 60.373 0.048 . . . . . . A 64 SER CA . 34695 1 731 . 1 . 1 67 67 SER CB C 13 63.511 0.099 . . . . . . A 64 SER CB . 34695 1 732 . 1 . 1 67 67 SER N N 15 119.239 0.176 . . . . . . A 64 SER N . 34695 1 733 . 1 . 1 68 68 THR H H 1 8.704 0.005 . . . . . . A 65 THR H . 34695 1 734 . 1 . 1 68 68 THR HA H 1 5.497 0.005 . . . . . . A 65 THR HA . 34695 1 735 . 1 . 1 68 68 THR HB H 1 4.014 0.003 . . . . . . A 65 THR HB . 34695 1 736 . 1 . 1 68 68 THR HG21 H 1 1.216 0.002 . . . . . . A 65 THR HG21 . 34695 1 737 . 1 . 1 68 68 THR HG22 H 1 1.216 0.002 . . . . . . A 65 THR HG22 . 34695 1 738 . 1 . 1 68 68 THR HG23 H 1 1.216 0.002 . . . . . . A 65 THR HG23 . 34695 1 739 . 1 . 1 68 68 THR C C 13 173.717 0.008 . . . . . . A 65 THR C . 34695 1 740 . 1 . 1 68 68 THR CA C 13 60.857 0.089 . . . . . . A 65 THR CA . 34695 1 741 . 1 . 1 68 68 THR CB C 13 73.177 0.099 . . . . . . A 65 THR CB . 34695 1 742 . 1 . 1 68 68 THR CG2 C 13 22.408 0.028 . . . . . . A 65 THR CG2 . 34695 1 743 . 1 . 1 68 68 THR N N 15 114.889 0.193 . . . . . . A 65 THR N . 34695 1 744 . 1 . 1 69 69 ILE H H 1 8.981 0.004 . . . . . . A 66 ILE H . 34695 1 745 . 1 . 1 69 69 ILE HA H 1 4.240 0.013 . . . . . . A 66 ILE HA . 34695 1 746 . 1 . 1 69 69 ILE HB H 1 1.324 0.009 . . . . . . A 66 ILE HB . 34695 1 747 . 1 . 1 69 69 ILE HG12 H 1 0.991 0.010 . . . . . . A 66 ILE HG12 . 34695 1 748 . 1 . 1 69 69 ILE HG13 H 1 0.474 0.004 . . . . . . A 66 ILE HG13 . 34695 1 749 . 1 . 1 69 69 ILE HG21 H 1 0.661 0.007 . . . . . . A 66 ILE HG21 . 34695 1 750 . 1 . 1 69 69 ILE HG22 H 1 0.661 0.007 . . . . . . A 66 ILE HG22 . 34695 1 751 . 1 . 1 69 69 ILE HG23 H 1 0.661 0.007 . . . . . . A 66 ILE HG23 . 34695 1 752 . 1 . 1 69 69 ILE HD11 H 1 -0.493 0.007 . . . . . . A 66 ILE HD11 . 34695 1 753 . 1 . 1 69 69 ILE HD12 H 1 -0.493 0.007 . . . . . . A 66 ILE HD12 . 34695 1 754 . 1 . 1 69 69 ILE HD13 H 1 -0.493 0.007 . . . . . . A 66 ILE HD13 . 34695 1 755 . 1 . 1 69 69 ILE C C 13 174.501 0.001 . . . . . . A 66 ILE C . 34695 1 756 . 1 . 1 69 69 ILE CA C 13 60.992 0.063 . . . . . . A 66 ILE CA . 34695 1 757 . 1 . 1 69 69 ILE CB C 13 42.579 0.065 . . . . . . A 66 ILE CB . 34695 1 758 . 1 . 1 69 69 ILE CG1 C 13 27.948 0.101 . . . . . . A 66 ILE CG1 . 34695 1 759 . 1 . 1 69 69 ILE CG2 C 13 18.515 0.100 . . . . . . A 66 ILE CG2 . 34695 1 760 . 1 . 1 69 69 ILE CD1 C 13 13.743 0.125 . . . . . . A 66 ILE CD1 . 34695 1 761 . 1 . 1 69 69 ILE N N 15 124.762 0.054 . . . . . . A 66 ILE N . 34695 1 762 . 1 . 1 70 70 ARG H H 1 9.658 0.004 . . . . . . A 67 ARG H . 34695 1 763 . 1 . 1 70 70 ARG HA H 1 5.631 0.003 . . . . . . A 67 ARG HA . 34695 1 764 . 1 . 1 70 70 ARG HB2 H 1 1.622 0.018 . . . . . . A 67 ARG HB2 . 34695 1 765 . 1 . 1 70 70 ARG HB3 H 1 1.764 0.011 . . . . . . A 67 ARG HB3 . 34695 1 766 . 1 . 1 70 70 ARG HG2 H 1 1.375 0.008 . . . . . . A 67 ARG HG2 . 34695 1 767 . 1 . 1 70 70 ARG HG3 H 1 1.378 0.009 . . . . . . A 67 ARG HG3 . 34695 1 768 . 1 . 1 70 70 ARG HD2 H 1 3.394 0.009 . . . . . . A 67 ARG HD2 . 34695 1 769 . 1 . 1 70 70 ARG HD3 H 1 3.400 0.005 . . . . . . A 67 ARG HD3 . 34695 1 770 . 1 . 1 70 70 ARG C C 13 173.960 0.006 . . . . . . A 67 ARG C . 34695 1 771 . 1 . 1 70 70 ARG CA C 13 55.654 0.068 . . . . . . A 67 ARG CA . 34695 1 772 . 1 . 1 70 70 ARG CB C 13 29.078 0.045 . . . . . . A 67 ARG CB . 34695 1 773 . 1 . 1 70 70 ARG CG C 13 27.989 0.015 . . . . . . A 67 ARG CG . 34695 1 774 . 1 . 1 70 70 ARG CD C 13 43.596 0.040 . . . . . . A 67 ARG CD . 34695 1 775 . 1 . 1 70 70 ARG N N 15 129.936 0.060 . . . . . . A 67 ARG N . 34695 1 776 . 1 . 1 71 71 ALA H H 1 9.059 0.004 . . . . . . A 68 ALA H . 34695 1 777 . 1 . 1 71 71 ALA HA H 1 5.436 0.006 . . . . . . A 68 ALA HA . 34695 1 778 . 1 . 1 71 71 ALA HB1 H 1 1.859 0.006 . . . . . . A 68 ALA HB1 . 34695 1 779 . 1 . 1 71 71 ALA HB2 H 1 1.859 0.006 . . . . . . A 68 ALA HB2 . 34695 1 780 . 1 . 1 71 71 ALA HB3 H 1 1.859 0.006 . . . . . . A 68 ALA HB3 . 34695 1 781 . 1 . 1 71 71 ALA C C 13 177.168 0.012 . . . . . . A 68 ALA C . 34695 1 782 . 1 . 1 71 71 ALA CA C 13 50.620 0.062 . . . . . . A 68 ALA CA . 34695 1 783 . 1 . 1 71 71 ALA CB C 13 25.289 0.044 . . . . . . A 68 ALA CB . 34695 1 784 . 1 . 1 71 71 ALA N N 15 124.215 0.061 . . . . . . A 68 ALA N . 34695 1 785 . 1 . 1 72 72 THR H H 1 8.635 0.004 . . . . . . A 69 THR H . 34695 1 786 . 1 . 1 72 72 THR HA H 1 5.297 0.042 . . . . . . A 69 THR HA . 34695 1 787 . 1 . 1 72 72 THR HB H 1 5.130 0.004 . . . . . . A 69 THR HB . 34695 1 788 . 1 . 1 72 72 THR HG21 H 1 1.485 0.005 . . . . . . A 69 THR HG21 . 34695 1 789 . 1 . 1 72 72 THR HG22 H 1 1.485 0.005 . . . . . . A 69 THR HG22 . 34695 1 790 . 1 . 1 72 72 THR HG23 H 1 1.485 0.005 . . . . . . A 69 THR HG23 . 34695 1 791 . 1 . 1 72 72 THR C C 13 176.054 0.002 . . . . . . A 69 THR C . 34695 1 792 . 1 . 1 72 72 THR CA C 13 62.107 0.073 . . . . . . A 69 THR CA . 34695 1 793 . 1 . 1 72 72 THR CB C 13 70.222 0.054 . . . . . . A 69 THR CB . 34695 1 794 . 1 . 1 72 72 THR CG2 C 13 22.640 0.075 . . . . . . A 69 THR CG2 . 34695 1 795 . 1 . 1 72 72 THR N N 15 110.203 0.048 . . . . . . A 69 THR N . 34695 1 796 . 1 . 1 73 73 LYS H H 1 8.968 0.004 . . . . . . A 70 LYS H . 34695 1 797 . 1 . 1 73 73 LYS HA H 1 4.420 0.020 . . . . . . A 70 LYS HA . 34695 1 798 . 1 . 1 73 73 LYS HB2 H 1 1.816 0.012 . . . . . . A 70 LYS HB2 . 34695 1 799 . 1 . 1 73 73 LYS HB3 H 1 1.652 0.018 . . . . . . A 70 LYS HB3 . 34695 1 800 . 1 . 1 73 73 LYS HG2 H 1 1.456 0.014 . . . . . . A 70 LYS HG2 . 34695 1 801 . 1 . 1 73 73 LYS HG3 H 1 1.456 0.014 . . . . . . A 70 LYS HG3 . 34695 1 802 . 1 . 1 73 73 LYS HD2 H 1 1.305 0.021 . . . . . . A 70 LYS HD2 . 34695 1 803 . 1 . 1 73 73 LYS HD3 H 1 1.335 0.000 . . . . . . A 70 LYS HD3 . 34695 1 804 . 1 . 1 73 73 LYS HE2 H 1 2.963 0.002 . . . . . . A 70 LYS HE2 . 34695 1 805 . 1 . 1 73 73 LYS HE3 H 1 2.963 0.002 . . . . . . A 70 LYS HE3 . 34695 1 806 . 1 . 1 73 73 LYS C C 13 176.916 0.008 . . . . . . A 70 LYS C . 34695 1 807 . 1 . 1 73 73 LYS CA C 13 59.476 0.096 . . . . . . A 70 LYS CA . 34695 1 808 . 1 . 1 73 73 LYS CB C 13 34.142 0.050 . . . . . . A 70 LYS CB . 34695 1 809 . 1 . 1 73 73 LYS CG C 13 25.201 0.026 . . . . . . A 70 LYS CG . 34695 1 810 . 1 . 1 73 73 LYS CD C 13 29.995 0.041 . . . . . . A 70 LYS CD . 34695 1 811 . 1 . 1 73 73 LYS CE C 13 40.280 0.034 . . . . . . A 70 LYS CE . 34695 1 812 . 1 . 1 73 73 LYS N N 15 118.480 0.146 . . . . . . A 70 LYS N . 34695 1 813 . 1 . 1 74 74 ASP H H 1 8.823 0.005 . . . . . . A 71 ASP H . 34695 1 814 . 1 . 1 74 74 ASP HA H 1 4.684 0.004 . . . . . . A 71 ASP HA . 34695 1 815 . 1 . 1 74 74 ASP HB2 H 1 2.955 0.005 . . . . . . A 71 ASP HB2 . 34695 1 816 . 1 . 1 74 74 ASP HB3 H 1 2.955 0.005 . . . . . . A 71 ASP HB3 . 34695 1 817 . 1 . 1 74 74 ASP C C 13 177.172 0.008 . . . . . . A 71 ASP C . 34695 1 818 . 1 . 1 74 74 ASP CA C 13 52.758 0.116 . . . . . . A 71 ASP CA . 34695 1 819 . 1 . 1 74 74 ASP CB C 13 40.297 0.140 . . . . . . A 71 ASP CB . 34695 1 820 . 1 . 1 74 74 ASP N N 15 110.102 0.050 . . . . . . A 71 ASP N . 34695 1 821 . 1 . 1 75 75 HIS H H 1 8.044 0.009 . . . . . . A 72 HIS H . 34695 1 822 . 1 . 1 75 75 HIS HA H 1 4.291 0.005 . . . . . . A 72 HIS HA . 34695 1 823 . 1 . 1 75 75 HIS HB2 H 1 2.229 0.000 . . . . . . A 72 HIS HB2 . 34695 1 824 . 1 . 1 75 75 HIS HB3 H 1 2.229 0.000 . . . . . . A 72 HIS HB3 . 34695 1 825 . 1 . 1 75 75 HIS HD2 H 1 7.241 0.000 . . . . . . A 72 HIS HD2 . 34695 1 826 . 1 . 1 75 75 HIS CA C 13 58.211 0.143 . . . . . . A 72 HIS CA . 34695 1 827 . 1 . 1 75 75 HIS CB C 13 29.638 0.000 . . . . . . A 72 HIS CB . 34695 1 828 . 1 . 1 75 75 HIS N N 15 120.481 0.159 . . . . . . A 72 HIS N . 34695 1 829 . 1 . 1 76 76 LYS HA H 1 5.026 0.000 . . . . . . A 73 LYS HA . 34695 1 830 . 1 . 1 76 76 LYS HB2 H 1 1.860 0.016 . . . . . . A 73 LYS HB2 . 34695 1 831 . 1 . 1 76 76 LYS HB3 H 1 1.860 0.016 . . . . . . A 73 LYS HB3 . 34695 1 832 . 1 . 1 76 76 LYS HG2 H 1 1.506 0.003 . . . . . . A 73 LYS HG2 . 34695 1 833 . 1 . 1 76 76 LYS HG3 H 1 1.399 0.001 . . . . . . A 73 LYS HG3 . 34695 1 834 . 1 . 1 76 76 LYS HD2 H 1 1.690 0.001 . . . . . . A 73 LYS HD2 . 34695 1 835 . 1 . 1 76 76 LYS HD3 H 1 1.690 0.001 . . . . . . A 73 LYS HD3 . 34695 1 836 . 1 . 1 76 76 LYS HE2 H 1 3.105 0.005 . . . . . . A 73 LYS HE2 . 34695 1 837 . 1 . 1 76 76 LYS HE3 H 1 3.105 0.005 . . . . . . A 73 LYS HE3 . 34695 1 838 . 1 . 1 76 76 LYS C C 13 178.208 0.010 . . . . . . A 73 LYS C . 34695 1 839 . 1 . 1 76 76 LYS CA C 13 57.339 0.077 . . . . . . A 73 LYS CA . 34695 1 840 . 1 . 1 76 76 LYS CB C 13 34.112 0.179 . . . . . . A 73 LYS CB . 34695 1 841 . 1 . 1 76 76 LYS CG C 13 26.150 0.023 . . . . . . A 73 LYS CG . 34695 1 842 . 1 . 1 76 76 LYS CD C 13 28.935 0.000 . . . . . . A 73 LYS CD . 34695 1 843 . 1 . 1 76 76 LYS CE C 13 41.816 0.013 . . . . . . A 73 LYS CE . 34695 1 844 . 1 . 1 77 77 PHE H H 1 9.265 0.004 . . . . . . A 74 PHE H . 34695 1 845 . 1 . 1 77 77 PHE HA H 1 5.213 0.006 . . . . . . A 74 PHE HA . 34695 1 846 . 1 . 1 77 77 PHE HB2 H 1 3.027 0.002 . . . . . . A 74 PHE HB2 . 34695 1 847 . 1 . 1 77 77 PHE HB3 H 1 2.678 0.003 . . . . . . A 74 PHE HB3 . 34695 1 848 . 1 . 1 77 77 PHE HD1 H 1 7.370 0.001 . . . . . . A 74 PHE HD1 . 34695 1 849 . 1 . 1 77 77 PHE HD2 H 1 7.370 0.001 . . . . . . A 74 PHE HD2 . 34695 1 850 . 1 . 1 77 77 PHE HE1 H 1 7.370 0.001 . . . . . . A 74 PHE HE1 . 34695 1 851 . 1 . 1 77 77 PHE HE2 H 1 7.370 0.001 . . . . . . A 74 PHE HE2 . 34695 1 852 . 1 . 1 77 77 PHE HZ H 1 7.370 0.001 . . . . . . A 74 PHE HZ . 34695 1 853 . 1 . 1 77 77 PHE C C 13 173.722 0.012 . . . . . . A 74 PHE C . 34695 1 854 . 1 . 1 77 77 PHE CA C 13 57.007 0.070 . . . . . . A 74 PHE CA . 34695 1 855 . 1 . 1 77 77 PHE CB C 13 45.763 0.053 . . . . . . A 74 PHE CB . 34695 1 856 . 1 . 1 77 77 PHE CD1 C 13 129.794 0.000 . . . . . . A 74 PHE CD1 . 34695 1 857 . 1 . 1 77 77 PHE N N 15 123.307 0.088 . . . . . . A 74 PHE N . 34695 1 858 . 1 . 1 78 78 MET H H 1 8.591 0.004 . . . . . . A 75 MET H . 34695 1 859 . 1 . 1 78 78 MET HA H 1 5.461 0.006 . . . . . . A 75 MET HA . 34695 1 860 . 1 . 1 78 78 MET HB2 H 1 2.177 0.006 . . . . . . A 75 MET HB2 . 34695 1 861 . 1 . 1 78 78 MET HB3 H 1 1.855 0.005 . . . . . . A 75 MET HB3 . 34695 1 862 . 1 . 1 78 78 MET HG2 H 1 3.238 0.005 . . . . . . A 75 MET HG2 . 34695 1 863 . 1 . 1 78 78 MET HG3 H 1 2.456 0.003 . . . . . . A 75 MET HG3 . 34695 1 864 . 1 . 1 78 78 MET HE1 H 1 2.159 0.000 . . . . . . A 75 MET HE1 . 34695 1 865 . 1 . 1 78 78 MET HE2 H 1 2.159 0.000 . . . . . . A 75 MET HE2 . 34695 1 866 . 1 . 1 78 78 MET HE3 H 1 2.159 0.000 . . . . . . A 75 MET HE3 . 34695 1 867 . 1 . 1 78 78 MET C C 13 178.178 0.012 . . . . . . A 75 MET C . 34695 1 868 . 1 . 1 78 78 MET CA C 13 55.373 0.064 . . . . . . A 75 MET CA . 34695 1 869 . 1 . 1 78 78 MET CB C 13 35.818 0.117 . . . . . . A 75 MET CB . 34695 1 870 . 1 . 1 78 78 MET CG C 13 32.312 0.055 . . . . . . A 75 MET CG . 34695 1 871 . 1 . 1 78 78 MET CE C 13 17.389 0.000 . . . . . . A 75 MET CE . 34695 1 872 . 1 . 1 78 78 MET N N 15 118.542 0.121 . . . . . . A 75 MET N . 34695 1 873 . 1 . 1 79 79 THR H H 1 9.538 0.006 . . . . . . A 76 THR H . 34695 1 874 . 1 . 1 79 79 THR HA H 1 5.460 0.006 . . . . . . A 76 THR HA . 34695 1 875 . 1 . 1 79 79 THR HB H 1 5.133 0.003 . . . . . . A 76 THR HB . 34695 1 876 . 1 . 1 79 79 THR HG21 H 1 1.366 0.007 . . . . . . A 76 THR HG21 . 34695 1 877 . 1 . 1 79 79 THR HG22 H 1 1.366 0.007 . . . . . . A 76 THR HG22 . 34695 1 878 . 1 . 1 79 79 THR HG23 H 1 1.366 0.007 . . . . . . A 76 THR HG23 . 34695 1 879 . 1 . 1 79 79 THR C C 13 178.520 0.003 . . . . . . A 76 THR C . 34695 1 880 . 1 . 1 79 79 THR CA C 13 60.955 0.077 . . . . . . A 76 THR CA . 34695 1 881 . 1 . 1 79 79 THR CB C 13 72.126 0.114 . . . . . . A 76 THR CB . 34695 1 882 . 1 . 1 79 79 THR CG2 C 13 22.400 0.074 . . . . . . A 76 THR CG2 . 34695 1 883 . 1 . 1 79 79 THR N N 15 118.610 0.103 . . . . . . A 76 THR N . 34695 1 884 . 1 . 1 80 80 THR H H 1 8.595 0.005 . . . . . . A 77 THR H . 34695 1 885 . 1 . 1 80 80 THR HA H 1 4.132 0.006 . . . . . . A 77 THR HA . 34695 1 886 . 1 . 1 80 80 THR HB H 1 4.421 0.004 . . . . . . A 77 THR HB . 34695 1 887 . 1 . 1 80 80 THR HG21 H 1 1.315 0.006 . . . . . . A 77 THR HG21 . 34695 1 888 . 1 . 1 80 80 THR HG22 H 1 1.315 0.006 . . . . . . A 77 THR HG22 . 34695 1 889 . 1 . 1 80 80 THR HG23 H 1 1.315 0.006 . . . . . . A 77 THR HG23 . 34695 1 890 . 1 . 1 80 80 THR C C 13 175.474 0.002 . . . . . . A 77 THR C . 34695 1 891 . 1 . 1 80 80 THR CA C 13 65.114 0.065 . . . . . . A 77 THR CA . 34695 1 892 . 1 . 1 80 80 THR CB C 13 68.624 0.021 . . . . . . A 77 THR CB . 34695 1 893 . 1 . 1 80 80 THR CG2 C 13 23.344 0.072 . . . . . . A 77 THR CG2 . 34695 1 894 . 1 . 1 80 80 THR N N 15 112.184 0.072 . . . . . . A 77 THR N . 34695 1 895 . 1 . 1 81 81 ASP H H 1 7.732 0.005 . . . . . . A 78 ASP H . 34695 1 896 . 1 . 1 81 81 ASP HA H 1 4.969 0.008 . . . . . . A 78 ASP HA . 34695 1 897 . 1 . 1 81 81 ASP HB2 H 1 3.022 0.006 . . . . . . A 78 ASP HB2 . 34695 1 898 . 1 . 1 81 81 ASP HB3 H 1 2.740 0.007 . . . . . . A 78 ASP HB3 . 34695 1 899 . 1 . 1 81 81 ASP C C 13 176.445 0.004 . . . . . . A 78 ASP C . 34695 1 900 . 1 . 1 81 81 ASP CA C 13 54.424 0.058 . . . . . . A 78 ASP CA . 34695 1 901 . 1 . 1 81 81 ASP CB C 13 41.406 0.073 . . . . . . A 78 ASP CB . 34695 1 902 . 1 . 1 81 81 ASP N N 15 117.944 0.114 . . . . . . A 78 ASP N . 34695 1 903 . 1 . 1 82 82 GLY H H 1 8.371 0.005 . . . . . . A 79 GLY H . 34695 1 904 . 1 . 1 82 82 GLY HA2 H 1 4.328 0.010 . . . . . . A 79 GLY HA2 . 34695 1 905 . 1 . 1 82 82 GLY HA3 H 1 3.761 0.008 . . . . . . A 79 GLY HA3 . 34695 1 906 . 1 . 1 82 82 GLY C C 13 174.105 0.006 . . . . . . A 79 GLY C . 34695 1 907 . 1 . 1 82 82 GLY CA C 13 45.731 0.049 . . . . . . A 79 GLY CA . 34695 1 908 . 1 . 1 82 82 GLY N N 15 108.386 0.087 . . . . . . A 79 GLY N . 34695 1 909 . 1 . 1 83 83 GLU H H 1 7.184 0.005 . . . . . . A 80 GLU H . 34695 1 910 . 1 . 1 83 83 GLU HA H 1 4.572 0.006 . . . . . . A 80 GLU HA . 34695 1 911 . 1 . 1 83 83 GLU HB2 H 1 2.028 0.013 . . . . . . A 80 GLU HB2 . 34695 1 912 . 1 . 1 83 83 GLU HB3 H 1 2.028 0.013 . . . . . . A 80 GLU HB3 . 34695 1 913 . 1 . 1 83 83 GLU HG2 H 1 2.246 0.007 . . . . . . A 80 GLU HG2 . 34695 1 914 . 1 . 1 83 83 GLU HG3 H 1 2.246 0.007 . . . . . . A 80 GLU HG3 . 34695 1 915 . 1 . 1 83 83 GLU C C 13 174.928 0.005 . . . . . . A 80 GLU C . 34695 1 916 . 1 . 1 83 83 GLU CA C 13 55.198 0.067 . . . . . . A 80 GLU CA . 34695 1 917 . 1 . 1 83 83 GLU CB C 13 31.252 0.049 . . . . . . A 80 GLU CB . 34695 1 918 . 1 . 1 83 83 GLU CG C 13 36.504 0.144 . . . . . . A 80 GLU CG . 34695 1 919 . 1 . 1 83 83 GLU N N 15 118.392 0.181 . . . . . . A 80 GLU N . 34695 1 920 . 1 . 1 84 84 MET H H 1 8.746 0.005 . . . . . . A 81 MET H . 34695 1 921 . 1 . 1 84 84 MET HA H 1 5.154 0.005 . . . . . . A 81 MET HA . 34695 1 922 . 1 . 1 84 84 MET HB2 H 1 2.677 0.000 . . . . . . A 81 MET HB2 . 34695 1 923 . 1 . 1 84 84 MET HB3 H 1 2.276 0.006 . . . . . . A 81 MET HB3 . 34695 1 924 . 1 . 1 84 84 MET HG2 H 1 1.683 0.007 . . . . . . A 81 MET HG2 . 34695 1 925 . 1 . 1 84 84 MET HG3 H 1 2.275 0.000 . . . . . . A 81 MET HG3 . 34695 1 926 . 1 . 1 84 84 MET HE1 H 1 2.234 0.000 . . . . . . A 81 MET HE1 . 34695 1 927 . 1 . 1 84 84 MET HE2 H 1 2.234 0.000 . . . . . . A 81 MET HE2 . 34695 1 928 . 1 . 1 84 84 MET HE3 H 1 2.234 0.000 . . . . . . A 81 MET HE3 . 34695 1 929 . 1 . 1 84 84 MET C C 13 174.924 0.001 . . . . . . A 81 MET C . 34695 1 930 . 1 . 1 84 84 MET CA C 13 53.864 0.077 . . . . . . A 81 MET CA . 34695 1 931 . 1 . 1 84 84 MET CB C 13 32.919 0.078 . . . . . . A 81 MET CB . 34695 1 932 . 1 . 1 84 84 MET CG C 13 32.845 0.167 . . . . . . A 81 MET CG . 34695 1 933 . 1 . 1 84 84 MET CE C 13 17.927 0.000 . . . . . . A 81 MET CE . 34695 1 934 . 1 . 1 84 84 MET N N 15 119.956 0.133 . . . . . . A 81 MET N . 34695 1 935 . 1 . 1 85 85 LEU H H 1 8.528 0.006 . . . . . . A 82 LEU H . 34695 1 936 . 1 . 1 85 85 LEU HA H 1 5.180 0.003 . . . . . . A 82 LEU HA . 34695 1 937 . 1 . 1 85 85 LEU HB2 H 1 1.443 0.005 . . . . . . A 82 LEU HB2 . 34695 1 938 . 1 . 1 85 85 LEU HB3 H 1 1.443 0.005 . . . . . . A 82 LEU HB3 . 34695 1 939 . 1 . 1 85 85 LEU HG H 1 1.567 0.000 . . . . . . A 82 LEU HG . 34695 1 940 . 1 . 1 85 85 LEU HD11 H 1 1.046 0.010 . . . . . . A 82 LEU HD11 . 34695 1 941 . 1 . 1 85 85 LEU HD12 H 1 1.046 0.010 . . . . . . A 82 LEU HD12 . 34695 1 942 . 1 . 1 85 85 LEU HD13 H 1 1.046 0.010 . . . . . . A 82 LEU HD13 . 34695 1 943 . 1 . 1 85 85 LEU HD21 H 1 0.880 0.000 . . . . . . A 82 LEU HD21 . 34695 1 944 . 1 . 1 85 85 LEU HD22 H 1 0.880 0.000 . . . . . . A 82 LEU HD22 . 34695 1 945 . 1 . 1 85 85 LEU HD23 H 1 0.880 0.000 . . . . . . A 82 LEU HD23 . 34695 1 946 . 1 . 1 85 85 LEU C C 13 173.874 0.000 . . . . . . A 82 LEU C . 34695 1 947 . 1 . 1 85 85 LEU CA C 13 51.781 0.039 . . . . . . A 82 LEU CA . 34695 1 948 . 1 . 1 85 85 LEU CB C 13 46.001 0.047 . . . . . . A 82 LEU CB . 34695 1 949 . 1 . 1 85 85 LEU CG C 13 27.211 0.000 . . . . . . A 82 LEU CG . 34695 1 950 . 1 . 1 85 85 LEU CD1 C 13 23.497 0.029 . . . . . . A 82 LEU CD1 . 34695 1 951 . 1 . 1 85 85 LEU CD2 C 13 26.072 0.005 . . . . . . A 82 LEU CD2 . 34695 1 952 . 1 . 1 85 85 LEU N N 15 123.821 0.084 . . . . . . A 82 LEU N . 34695 1 953 . 1 . 1 86 86 PRO HA H 1 4.210 0.009 . . . . . . A 83 PRO HA . 34695 1 954 . 1 . 1 86 86 PRO HB2 H 1 2.604 0.013 . . . . . . A 83 PRO HB2 . 34695 1 955 . 1 . 1 86 86 PRO HB3 H 1 2.604 0.013 . . . . . . A 83 PRO HB3 . 34695 1 956 . 1 . 1 86 86 PRO HG2 H 1 2.445 0.000 . . . . . . A 83 PRO HG2 . 34695 1 957 . 1 . 1 86 86 PRO HG3 H 1 2.103 0.000 . . . . . . A 83 PRO HG3 . 34695 1 958 . 1 . 1 86 86 PRO HD2 H 1 3.740 0.006 . . . . . . A 83 PRO HD2 . 34695 1 959 . 1 . 1 86 86 PRO HD3 H 1 3.930 0.003 . . . . . . A 83 PRO HD3 . 34695 1 960 . 1 . 1 86 86 PRO C C 13 178.313 0.002 . . . . . . A 83 PRO C . 34695 1 961 . 1 . 1 86 86 PRO CA C 13 63.342 0.091 . . . . . . A 83 PRO CA . 34695 1 962 . 1 . 1 86 86 PRO CB C 13 32.959 0.080 . . . . . . A 83 PRO CB . 34695 1 963 . 1 . 1 86 86 PRO CG C 13 28.290 0.045 . . . . . . A 83 PRO CG . 34695 1 964 . 1 . 1 86 86 PRO CD C 13 50.744 0.072 . . . . . . A 83 PRO CD . 34695 1 965 . 1 . 1 87 87 ILE H H 1 9.096 0.004 . . . . . . A 84 ILE H . 34695 1 966 . 1 . 1 87 87 ILE HA H 1 3.989 0.004 . . . . . . A 84 ILE HA . 34695 1 967 . 1 . 1 87 87 ILE HB H 1 2.093 0.007 . . . . . . A 84 ILE HB . 34695 1 968 . 1 . 1 87 87 ILE HG12 H 1 -0.122 0.005 . . . . . . A 84 ILE HG12 . 34695 1 969 . 1 . 1 87 87 ILE HG13 H 1 0.367 0.003 . . . . . . A 84 ILE HG13 . 34695 1 970 . 1 . 1 87 87 ILE HG21 H 1 1.089 0.006 . . . . . . A 84 ILE HG21 . 34695 1 971 . 1 . 1 87 87 ILE HG22 H 1 1.089 0.006 . . . . . . A 84 ILE HG22 . 34695 1 972 . 1 . 1 87 87 ILE HG23 H 1 1.089 0.006 . . . . . . A 84 ILE HG23 . 34695 1 973 . 1 . 1 87 87 ILE HD11 H 1 -0.014 0.008 . . . . . . A 84 ILE HD11 . 34695 1 974 . 1 . 1 87 87 ILE HD12 H 1 -0.014 0.008 . . . . . . A 84 ILE HD12 . 34695 1 975 . 1 . 1 87 87 ILE HD13 H 1 -0.014 0.008 . . . . . . A 84 ILE HD13 . 34695 1 976 . 1 . 1 87 87 ILE C C 13 175.744 0.004 . . . . . . A 84 ILE C . 34695 1 977 . 1 . 1 87 87 ILE CA C 13 63.415 0.072 . . . . . . A 84 ILE CA . 34695 1 978 . 1 . 1 87 87 ILE CB C 13 37.555 0.070 . . . . . . A 84 ILE CB . 34695 1 979 . 1 . 1 87 87 ILE CG1 C 13 28.073 0.111 . . . . . . A 84 ILE CG1 . 34695 1 980 . 1 . 1 87 87 ILE CG2 C 13 17.601 0.191 . . . . . . A 84 ILE CG2 . 34695 1 981 . 1 . 1 87 87 ILE CD1 C 13 15.105 0.071 . . . . . . A 84 ILE CD1 . 34695 1 982 . 1 . 1 87 87 ILE N N 15 126.553 0.062 . . . . . . A 84 ILE N . 34695 1 983 . 1 . 1 88 88 ASP H H 1 7.833 0.006 . . . . . . A 85 ASP H . 34695 1 984 . 1 . 1 88 88 ASP HA H 1 4.772 0.032 . . . . . . A 85 ASP HA . 34695 1 985 . 1 . 1 88 88 ASP HB2 H 1 2.555 0.007 . . . . . . A 85 ASP HB2 . 34695 1 986 . 1 . 1 88 88 ASP HB3 H 1 3.047 0.006 . . . . . . A 85 ASP HB3 . 34695 1 987 . 1 . 1 88 88 ASP C C 13 178.355 0.001 . . . . . . A 85 ASP C . 34695 1 988 . 1 . 1 88 88 ASP CA C 13 58.893 0.022 . . . . . . A 85 ASP CA . 34695 1 989 . 1 . 1 88 88 ASP CB C 13 42.513 0.183 . . . . . . A 85 ASP CB . 34695 1 990 . 1 . 1 88 88 ASP N N 15 119.819 0.132 . . . . . . A 85 ASP N . 34695 1 991 . 1 . 1 89 89 GLU H H 1 7.230 0.009 . . . . . . A 86 GLU H . 34695 1 992 . 1 . 1 89 89 GLU HA H 1 4.290 0.004 . . . . . . A 86 GLU HA . 34695 1 993 . 1 . 1 89 89 GLU HB2 H 1 2.229 0.006 . . . . . . A 86 GLU HB2 . 34695 1 994 . 1 . 1 89 89 GLU HB3 H 1 2.229 0.006 . . . . . . A 86 GLU HB3 . 34695 1 995 . 1 . 1 89 89 GLU HG2 H 1 2.397 0.002 . . . . . . A 86 GLU HG2 . 34695 1 996 . 1 . 1 89 89 GLU HG3 H 1 2.397 0.002 . . . . . . A 86 GLU HG3 . 34695 1 997 . 1 . 1 89 89 GLU C C 13 178.984 0.012 . . . . . . A 86 GLU C . 34695 1 998 . 1 . 1 89 89 GLU CA C 13 58.765 0.063 . . . . . . A 86 GLU CA . 34695 1 999 . 1 . 1 89 89 GLU CB C 13 29.726 0.058 . . . . . . A 86 GLU CB . 34695 1 1000 . 1 . 1 89 89 GLU CG C 13 36.019 0.003 . . . . . . A 86 GLU CG . 34695 1 1001 . 1 . 1 89 89 GLU N N 15 116.615 0.170 . . . . . . A 86 GLU N . 34695 1 1002 . 1 . 1 90 90 ILE H H 1 7.830 0.005 . . . . . . A 87 ILE H . 34695 1 1003 . 1 . 1 90 90 ILE HA H 1 3.481 0.005 . . . . . . A 87 ILE HA . 34695 1 1004 . 1 . 1 90 90 ILE HB H 1 2.075 0.005 . . . . . . A 87 ILE HB . 34695 1 1005 . 1 . 1 90 90 ILE HG12 H 1 0.687 0.011 . . . . . . A 87 ILE HG12 . 34695 1 1006 . 1 . 1 90 90 ILE HG13 H 1 0.687 0.011 . . . . . . A 87 ILE HG13 . 34695 1 1007 . 1 . 1 90 90 ILE HG21 H 1 0.867 0.007 . . . . . . A 87 ILE HG21 . 34695 1 1008 . 1 . 1 90 90 ILE HG22 H 1 0.867 0.007 . . . . . . A 87 ILE HG22 . 34695 1 1009 . 1 . 1 90 90 ILE HG23 H 1 0.867 0.007 . . . . . . A 87 ILE HG23 . 34695 1 1010 . 1 . 1 90 90 ILE HD11 H 1 0.909 0.003 . . . . . . A 87 ILE HD11 . 34695 1 1011 . 1 . 1 90 90 ILE HD12 H 1 0.909 0.003 . . . . . . A 87 ILE HD12 . 34695 1 1012 . 1 . 1 90 90 ILE HD13 H 1 0.909 0.003 . . . . . . A 87 ILE HD13 . 34695 1 1013 . 1 . 1 90 90 ILE C C 13 177.890 0.008 . . . . . . A 87 ILE C . 34695 1 1014 . 1 . 1 90 90 ILE CA C 13 66.536 0.091 . . . . . . A 87 ILE CA . 34695 1 1015 . 1 . 1 90 90 ILE CB C 13 38.072 0.078 . . . . . . A 87 ILE CB . 34695 1 1016 . 1 . 1 90 90 ILE CG1 C 13 30.348 0.058 . . . . . . A 87 ILE CG1 . 34695 1 1017 . 1 . 1 90 90 ILE CG2 C 13 16.960 0.167 . . . . . . A 87 ILE CG2 . 34695 1 1018 . 1 . 1 90 90 ILE CD1 C 13 15.052 0.045 . . . . . . A 87 ILE CD1 . 34695 1 1019 . 1 . 1 90 90 ILE N N 15 122.290 0.106 . . . . . . A 87 ILE N . 34695 1 1020 . 1 . 1 91 91 PHE H H 1 8.246 0.009 . . . . . . A 88 PHE H . 34695 1 1021 . 1 . 1 91 91 PHE HA H 1 4.654 0.012 . . . . . . A 88 PHE HA . 34695 1 1022 . 1 . 1 91 91 PHE HB2 H 1 3.401 0.013 . . . . . . A 88 PHE HB2 . 34695 1 1023 . 1 . 1 91 91 PHE HB3 H 1 3.401 0.013 . . . . . . A 88 PHE HB3 . 34695 1 1024 . 1 . 1 91 91 PHE HD1 H 1 7.188 0.000 . . . . . . A 88 PHE HD1 . 34695 1 1025 . 1 . 1 91 91 PHE HD2 H 1 7.188 0.000 . . . . . . A 88 PHE HD2 . 34695 1 1026 . 1 . 1 91 91 PHE C C 13 179.181 0.007 . . . . . . A 88 PHE C . 34695 1 1027 . 1 . 1 91 91 PHE CA C 13 59.920 0.083 . . . . . . A 88 PHE CA . 34695 1 1028 . 1 . 1 91 91 PHE CB C 13 39.076 0.061 . . . . . . A 88 PHE CB . 34695 1 1029 . 1 . 1 91 91 PHE CD1 C 13 131.445 0.000 . . . . . . A 88 PHE CD1 . 34695 1 1030 . 1 . 1 91 91 PHE N N 15 116.535 0.114 . . . . . . A 88 PHE N . 34695 1 1031 . 1 . 1 92 92 GLU H H 1 8.851 0.006 . . . . . . A 89 GLU H . 34695 1 1032 . 1 . 1 92 92 GLU HA H 1 3.651 0.007 . . . . . . A 89 GLU HA . 34695 1 1033 . 1 . 1 92 92 GLU HB2 H 1 2.165 0.008 . . . . . . A 89 GLU HB2 . 34695 1 1034 . 1 . 1 92 92 GLU HB3 H 1 2.169 0.004 . . . . . . A 89 GLU HB3 . 34695 1 1035 . 1 . 1 92 92 GLU HG2 H 1 2.701 0.007 . . . . . . A 89 GLU HG2 . 34695 1 1036 . 1 . 1 92 92 GLU HG3 H 1 2.402 0.001 . . . . . . A 89 GLU HG3 . 34695 1 1037 . 1 . 1 92 92 GLU C C 13 178.642 0.001 . . . . . . A 89 GLU C . 34695 1 1038 . 1 . 1 92 92 GLU CA C 13 59.943 0.097 . . . . . . A 89 GLU CA . 34695 1 1039 . 1 . 1 92 92 GLU CB C 13 29.819 0.063 . . . . . . A 89 GLU CB . 34695 1 1040 . 1 . 1 92 92 GLU CG C 13 37.000 0.042 . . . . . . A 89 GLU CG . 34695 1 1041 . 1 . 1 92 92 GLU N N 15 121.274 0.102 . . . . . . A 89 GLU N . 34695 1 1042 . 1 . 1 93 93 SER H H 1 8.498 0.004 . . . . . . A 90 SER H . 34695 1 1043 . 1 . 1 93 93 SER HA H 1 4.575 0.009 . . . . . . A 90 SER HA . 34695 1 1044 . 1 . 1 93 93 SER HB2 H 1 4.045 0.005 . . . . . . A 90 SER HB2 . 34695 1 1045 . 1 . 1 93 93 SER HB3 H 1 4.045 0.005 . . . . . . A 90 SER HB3 . 34695 1 1046 . 1 . 1 93 93 SER C C 13 172.373 0.003 . . . . . . A 90 SER C . 34695 1 1047 . 1 . 1 93 93 SER CA C 13 58.950 0.098 . . . . . . A 90 SER CA . 34695 1 1048 . 1 . 1 93 93 SER CB C 13 63.648 0.079 . . . . . . A 90 SER CB . 34695 1 1049 . 1 . 1 93 93 SER N N 15 112.059 0.066 . . . . . . A 90 SER N . 34695 1 1050 . 1 . 1 94 94 GLU H H 1 7.650 0.006 . . . . . . A 91 GLU H . 34695 1 1051 . 1 . 1 94 94 GLU HA H 1 4.259 0.009 . . . . . . A 91 GLU HA . 34695 1 1052 . 1 . 1 94 94 GLU HB2 H 1 2.303 0.013 . . . . . . A 91 GLU HB2 . 34695 1 1053 . 1 . 1 94 94 GLU HB3 H 1 2.134 0.011 . . . . . . A 91 GLU HB3 . 34695 1 1054 . 1 . 1 94 94 GLU HG2 H 1 2.118 0.009 . . . . . . A 91 GLU HG2 . 34695 1 1055 . 1 . 1 94 94 GLU HG3 H 1 2.303 0.000 . . . . . . A 91 GLU HG3 . 34695 1 1056 . 1 . 1 94 94 GLU C C 13 175.823 0.001 . . . . . . A 91 GLU C . 34695 1 1057 . 1 . 1 94 94 GLU CA C 13 56.798 0.091 . . . . . . A 91 GLU CA . 34695 1 1058 . 1 . 1 94 94 GLU CB C 13 27.085 0.063 . . . . . . A 91 GLU CB . 34695 1 1059 . 1 . 1 94 94 GLU CG C 13 36.965 0.022 . . . . . . A 91 GLU CG . 34695 1 1060 . 1 . 1 94 94 GLU N N 15 117.506 0.105 . . . . . . A 91 GLU N . 34695 1 1061 . 1 . 1 95 95 LEU H H 1 8.068 0.005 . . . . . . A 92 LEU H . 34695 1 1062 . 1 . 1 95 95 LEU HA H 1 4.691 0.008 . . . . . . A 92 LEU HA . 34695 1 1063 . 1 . 1 95 95 LEU HB2 H 1 1.716 0.012 . . . . . . A 92 LEU HB2 . 34695 1 1064 . 1 . 1 95 95 LEU HB3 H 1 1.716 0.012 . . . . . . A 92 LEU HB3 . 34695 1 1065 . 1 . 1 95 95 LEU HG H 1 1.565 0.010 . . . . . . A 92 LEU HG . 34695 1 1066 . 1 . 1 95 95 LEU HD11 H 1 0.986 0.014 . . . . . . A 92 LEU HD11 . 34695 1 1067 . 1 . 1 95 95 LEU HD12 H 1 0.986 0.014 . . . . . . A 92 LEU HD12 . 34695 1 1068 . 1 . 1 95 95 LEU HD13 H 1 0.986 0.014 . . . . . . A 92 LEU HD13 . 34695 1 1069 . 1 . 1 95 95 LEU HD21 H 1 0.981 0.000 . . . . . . A 92 LEU HD21 . 34695 1 1070 . 1 . 1 95 95 LEU HD22 H 1 0.981 0.000 . . . . . . A 92 LEU HD22 . 34695 1 1071 . 1 . 1 95 95 LEU HD23 H 1 0.981 0.000 . . . . . . A 92 LEU HD23 . 34695 1 1072 . 1 . 1 95 95 LEU C C 13 174.719 0.016 . . . . . . A 92 LEU C . 34695 1 1073 . 1 . 1 95 95 LEU CA C 13 53.663 0.062 . . . . . . A 92 LEU CA . 34695 1 1074 . 1 . 1 95 95 LEU CB C 13 42.808 0.151 . . . . . . A 92 LEU CB . 34695 1 1075 . 1 . 1 95 95 LEU CG C 13 27.115 0.000 . . . . . . A 92 LEU CG . 34695 1 1076 . 1 . 1 95 95 LEU CD1 C 13 26.233 0.000 . . . . . . A 92 LEU CD1 . 34695 1 1077 . 1 . 1 95 95 LEU CD2 C 13 22.035 0.000 . . . . . . A 92 LEU CD2 . 34695 1 1078 . 1 . 1 95 95 LEU N N 15 118.452 0.157 . . . . . . A 92 LEU N . 34695 1 1079 . 1 . 1 96 96 ASP H H 1 8.081 0.005 . . . . . . A 93 ASP H . 34695 1 1080 . 1 . 1 96 96 ASP HA H 1 5.050 0.002 . . . . . . A 93 ASP HA . 34695 1 1081 . 1 . 1 96 96 ASP HB2 H 1 2.347 0.005 . . . . . . A 93 ASP HB2 . 34695 1 1082 . 1 . 1 96 96 ASP HB3 H 1 2.742 0.007 . . . . . . A 93 ASP HB3 . 34695 1 1083 . 1 . 1 96 96 ASP C C 13 176.490 0.002 . . . . . . A 93 ASP C . 34695 1 1084 . 1 . 1 96 96 ASP CA C 13 54.075 0.021 . . . . . . A 93 ASP CA . 34695 1 1085 . 1 . 1 96 96 ASP CB C 13 44.515 0.132 . . . . . . A 93 ASP CB . 34695 1 1086 . 1 . 1 96 96 ASP N N 15 117.204 0.117 . . . . . . A 93 ASP N . 34695 1 1087 . 1 . 1 97 97 LEU H H 1 9.165 0.004 . . . . . . A 94 LEU H . 34695 1 1088 . 1 . 1 97 97 LEU HA H 1 4.365 0.014 . . . . . . A 94 LEU HA . 34695 1 1089 . 1 . 1 97 97 LEU HB2 H 1 1.860 0.005 . . . . . . A 94 LEU HB2 . 34695 1 1090 . 1 . 1 97 97 LEU HB3 H 1 1.860 0.005 . . . . . . A 94 LEU HB3 . 34695 1 1091 . 1 . 1 97 97 LEU HG H 1 0.806 0.001 . . . . . . A 94 LEU HG . 34695 1 1092 . 1 . 1 97 97 LEU HD11 H 1 0.824 0.016 . . . . . . A 94 LEU HD11 . 34695 1 1093 . 1 . 1 97 97 LEU HD12 H 1 0.824 0.016 . . . . . . A 94 LEU HD12 . 34695 1 1094 . 1 . 1 97 97 LEU HD13 H 1 0.824 0.016 . . . . . . A 94 LEU HD13 . 34695 1 1095 . 1 . 1 97 97 LEU HD21 H 1 0.572 0.006 . . . . . . A 94 LEU HD21 . 34695 1 1096 . 1 . 1 97 97 LEU HD22 H 1 0.572 0.006 . . . . . . A 94 LEU HD22 . 34695 1 1097 . 1 . 1 97 97 LEU HD23 H 1 0.572 0.006 . . . . . . A 94 LEU HD23 . 34695 1 1098 . 1 . 1 97 97 LEU C C 13 176.630 0.000 . . . . . . A 94 LEU C . 34695 1 1099 . 1 . 1 97 97 LEU CA C 13 55.749 0.093 . . . . . . A 94 LEU CA . 34695 1 1100 . 1 . 1 97 97 LEU CB C 13 43.162 0.038 . . . . . . A 94 LEU CB . 34695 1 1101 . 1 . 1 97 97 LEU CG C 13 26.514 0.111 . . . . . . A 94 LEU CG . 34695 1 1102 . 1 . 1 97 97 LEU CD1 C 13 25.597 0.107 . . . . . . A 94 LEU CD1 . 34695 1 1103 . 1 . 1 97 97 LEU CD2 C 13 26.620 0.020 . . . . . . A 94 LEU CD2 . 34695 1 1104 . 1 . 1 97 97 LEU N N 15 124.798 0.088 . . . . . . A 94 LEU N . 34695 1 1105 . 1 . 1 98 98 MET H H 1 8.455 0.006 . . . . . . A 95 MET H . 34695 1 1106 . 1 . 1 98 98 MET HA H 1 4.281 0.016 . . . . . . A 95 MET HA . 34695 1 1107 . 1 . 1 98 98 MET HB2 H 1 1.798 0.005 . . . . . . A 95 MET HB2 . 34695 1 1108 . 1 . 1 98 98 MET HB3 H 1 1.796 0.001 . . . . . . A 95 MET HB3 . 34695 1 1109 . 1 . 1 98 98 MET HG2 H 1 2.441 0.012 . . . . . . A 95 MET HG2 . 34695 1 1110 . 1 . 1 98 98 MET HG3 H 1 2.623 0.002 . . . . . . A 95 MET HG3 . 34695 1 1111 . 1 . 1 98 98 MET HE1 H 1 2.087 0.000 . . . . . . A 95 MET HE1 . 34695 1 1112 . 1 . 1 98 98 MET HE2 H 1 2.087 0.000 . . . . . . A 95 MET HE2 . 34695 1 1113 . 1 . 1 98 98 MET HE3 H 1 2.087 0.000 . . . . . . A 95 MET HE3 . 34695 1 1114 . 1 . 1 98 98 MET C C 13 175.861 0.004 . . . . . . A 95 MET C . 34695 1 1115 . 1 . 1 98 98 MET CA C 13 55.949 0.098 . . . . . . A 95 MET CA . 34695 1 1116 . 1 . 1 98 98 MET CB C 13 32.900 0.028 . . . . . . A 95 MET CB . 34695 1 1117 . 1 . 1 98 98 MET CG C 13 32.409 0.004 . . . . . . A 95 MET CG . 34695 1 1118 . 1 . 1 98 98 MET CE C 13 18.280 0.000 . . . . . . A 95 MET CE . 34695 1 1119 . 1 . 1 98 98 MET N N 15 120.003 0.124 . . . . . . A 95 MET N . 34695 1 1120 . 1 . 1 99 99 ARG H H 1 8.356 0.004 . . . . . . A 96 ARG H . 34695 1 1121 . 1 . 1 99 99 ARG HA H 1 4.807 0.011 . . . . . . A 96 ARG HA . 34695 1 1122 . 1 . 1 99 99 ARG HB2 H 1 1.503 0.006 . . . . . . A 96 ARG HB2 . 34695 1 1123 . 1 . 1 99 99 ARG HB3 H 1 1.776 0.010 . . . . . . A 96 ARG HB3 . 34695 1 1124 . 1 . 1 99 99 ARG C C 13 176.351 0.000 . . . . . . A 96 ARG C . 34695 1 1125 . 1 . 1 99 99 ARG CA C 13 54.820 0.059 . . . . . . A 96 ARG CA . 34695 1 1126 . 1 . 1 99 99 ARG CB C 13 33.040 0.045 . . . . . . A 96 ARG CB . 34695 1 1127 . 1 . 1 99 99 ARG N N 15 126.567 0.202 . . . . . . A 96 ARG N . 34695 1 1128 . 1 . 1 100 100 VAL HA H 1 4.127 0.006 . . . . . . A 97 VAL HA . 34695 1 1129 . 1 . 1 100 100 VAL HB H 1 2.129 0.000 . . . . . . A 97 VAL HB . 34695 1 1130 . 1 . 1 100 100 VAL HG11 H 1 0.906 0.000 . . . . . . A 97 VAL HG11 . 34695 1 1131 . 1 . 1 100 100 VAL HG12 H 1 0.906 0.000 . . . . . . A 97 VAL HG12 . 34695 1 1132 . 1 . 1 100 100 VAL HG13 H 1 0.906 0.000 . . . . . . A 97 VAL HG13 . 34695 1 1133 . 1 . 1 100 100 VAL HG21 H 1 0.906 0.000 . . . . . . A 97 VAL HG21 . 34695 1 1134 . 1 . 1 100 100 VAL HG22 H 1 0.906 0.000 . . . . . . A 97 VAL HG22 . 34695 1 1135 . 1 . 1 100 100 VAL HG23 H 1 0.906 0.000 . . . . . . A 97 VAL HG23 . 34695 1 1136 . 1 . 1 100 100 VAL C C 13 175.603 0.000 . . . . . . A 97 VAL C . 34695 1 1137 . 1 . 1 100 100 VAL CA C 13 62.819 0.068 . . . . . . A 97 VAL CA . 34695 1 1138 . 1 . 1 100 100 VAL CB C 13 32.206 0.063 . . . . . . A 97 VAL CB . 34695 1 1139 . 1 . 1 100 100 VAL CG1 C 13 21.570 0.000 . . . . . . A 97 VAL CG1 . 34695 1 1140 . 1 . 1 100 100 VAL CG2 C 13 20.110 0.106 . . . . . . A 97 VAL CG2 . 34695 1 1141 . 1 . 1 101 101 ASP H H 1 8.460 0.013 . . . . . . A 98 ASP H . 34695 1 1142 . 1 . 1 101 101 ASP HA H 1 4.475 0.000 . . . . . . A 98 ASP HA . 34695 1 1143 . 1 . 1 101 101 ASP HB2 H 1 2.671 0.005 . . . . . . A 98 ASP HB2 . 34695 1 1144 . 1 . 1 101 101 ASP HB3 H 1 2.816 0.001 . . . . . . A 98 ASP HB3 . 34695 1 1145 . 1 . 1 101 101 ASP C C 13 175.125 0.000 . . . . . . A 98 ASP C . 34695 1 1146 . 1 . 1 101 101 ASP CA C 13 54.691 0.114 . . . . . . A 98 ASP CA . 34695 1 1147 . 1 . 1 101 101 ASP CB C 13 40.298 0.051 . . . . . . A 98 ASP CB . 34695 1 1148 . 1 . 1 101 101 ASP N N 15 121.482 0.137 . . . . . . A 98 ASP N . 34695 1 1149 . 1 . 1 102 102 SER H H 1 7.645 0.006 . . . . . . A 99 SER H . 34695 1 1150 . 1 . 1 102 102 SER HA H 1 4.586 0.011 . . . . . . A 99 SER HA . 34695 1 1151 . 1 . 1 102 102 SER HB2 H 1 4.011 0.002 . . . . . . A 99 SER HB2 . 34695 1 1152 . 1 . 1 102 102 SER HB3 H 1 3.527 0.000 . . . . . . A 99 SER HB3 . 34695 1 1153 . 1 . 1 102 102 SER C C 13 174.460 0.000 . . . . . . A 99 SER C . 34695 1 1154 . 1 . 1 102 102 SER CA C 13 58.100 0.085 . . . . . . A 99 SER CA . 34695 1 1155 . 1 . 1 102 102 SER CB C 13 64.634 0.040 . . . . . . A 99 SER CB . 34695 1 1156 . 1 . 1 102 102 SER N N 15 110.549 0.050 . . . . . . A 99 SER N . 34695 1 1157 . 1 . 1 103 103 SER HA H 1 4.698 0.001 . . . . . . A 100 SER HA . 34695 1 1158 . 1 . 1 103 103 SER HB2 H 1 4.004 0.000 . . . . . . A 100 SER HB2 . 34695 1 1159 . 1 . 1 103 103 SER HB3 H 1 4.004 0.000 . . . . . . A 100 SER HB3 . 34695 1 1160 . 1 . 1 103 103 SER C C 13 174.676 0.000 . . . . . . A 100 SER C . 34695 1 1161 . 1 . 1 103 103 SER CA C 13 58.256 0.075 . . . . . . A 100 SER CA . 34695 1 1162 . 1 . 1 103 103 SER CB C 13 63.762 0.006 . . . . . . A 100 SER CB . 34695 1 1163 . 1 . 1 104 104 GLY H H 1 8.392 0.004 . . . . . . A 101 GLY H . 34695 1 1164 . 1 . 1 104 104 GLY HA2 H 1 4.230 0.007 . . . . . . A 101 GLY HA2 . 34695 1 1165 . 1 . 1 104 104 GLY HA3 H 1 3.969 0.006 . . . . . . A 101 GLY HA3 . 34695 1 1166 . 1 . 1 104 104 GLY C C 13 173.194 0.006 . . . . . . A 101 GLY C . 34695 1 1167 . 1 . 1 104 104 GLY CA C 13 45.049 0.057 . . . . . . A 101 GLY CA . 34695 1 1168 . 1 . 1 104 104 GLY N N 15 109.512 0.052 . . . . . . A 101 GLY N . 34695 1 1169 . 1 . 1 105 105 ASP H H 1 8.014 0.015 . . . . . . A 102 ASP H . 34695 1 1170 . 1 . 1 105 105 ASP HA H 1 4.792 0.001 . . . . . . A 102 ASP HA . 34695 1 1171 . 1 . 1 105 105 ASP HB2 H 1 2.564 0.009 . . . . . . A 102 ASP HB2 . 34695 1 1172 . 1 . 1 105 105 ASP HB3 H 1 3.002 0.000 . . . . . . A 102 ASP HB3 . 34695 1 1173 . 1 . 1 105 105 ASP C C 13 175.988 0.005 . . . . . . A 102 ASP C . 34695 1 1174 . 1 . 1 105 105 ASP CA C 13 55.384 0.057 . . . . . . A 102 ASP CA . 34695 1 1175 . 1 . 1 105 105 ASP CB C 13 42.414 0.054 . . . . . . A 102 ASP CB . 34695 1 1176 . 1 . 1 105 105 ASP N N 15 120.389 0.251 . . . . . . A 102 ASP N . 34695 1 1177 . 1 . 1 106 106 THR H H 1 8.312 0.011 . . . . . . A 103 THR H . 34695 1 1178 . 1 . 1 106 106 THR HA H 1 4.591 0.008 . . . . . . A 103 THR HA . 34695 1 1179 . 1 . 1 106 106 THR HB H 1 4.946 0.002 . . . . . . A 103 THR HB . 34695 1 1180 . 1 . 1 106 106 THR HG21 H 1 1.294 0.007 . . . . . . A 103 THR HG21 . 34695 1 1181 . 1 . 1 106 106 THR HG22 H 1 1.294 0.007 . . . . . . A 103 THR HG22 . 34695 1 1182 . 1 . 1 106 106 THR HG23 H 1 1.294 0.007 . . . . . . A 103 THR HG23 . 34695 1 1183 . 1 . 1 106 106 THR C C 13 173.380 0.008 . . . . . . A 103 THR C . 34695 1 1184 . 1 . 1 106 106 THR CA C 13 61.967 0.070 . . . . . . A 103 THR CA . 34695 1 1185 . 1 . 1 106 106 THR CB C 13 70.606 0.041 . . . . . . A 103 THR CB . 34695 1 1186 . 1 . 1 106 106 THR CG2 C 13 22.650 0.111 . . . . . . A 103 THR CG2 . 34695 1 1187 . 1 . 1 106 106 THR N N 15 108.358 0.077 . . . . . . A 103 THR N . 34695 1 1188 . 1 . 1 107 107 LYS H H 1 7.836 0.004 . . . . . . A 104 LYS H . 34695 1 1189 . 1 . 1 107 107 LYS HA H 1 4.896 0.006 . . . . . . A 104 LYS HA . 34695 1 1190 . 1 . 1 107 107 LYS HB2 H 1 1.838 0.005 . . . . . . A 104 LYS HB2 . 34695 1 1191 . 1 . 1 107 107 LYS HB3 H 1 1.838 0.005 . . . . . . A 104 LYS HB3 . 34695 1 1192 . 1 . 1 107 107 LYS HG2 H 1 1.395 0.009 . . . . . . A 104 LYS HG2 . 34695 1 1193 . 1 . 1 107 107 LYS HG3 H 1 1.395 0.009 . . . . . . A 104 LYS HG3 . 34695 1 1194 . 1 . 1 107 107 LYS HD2 H 1 1.378 0.011 . . . . . . A 104 LYS HD2 . 34695 1 1195 . 1 . 1 107 107 LYS HD3 H 1 1.378 0.011 . . . . . . A 104 LYS HD3 . 34695 1 1196 . 1 . 1 107 107 LYS HE2 H 1 3.090 0.013 . . . . . . A 104 LYS HE2 . 34695 1 1197 . 1 . 1 107 107 LYS HE3 H 1 3.090 0.013 . . . . . . A 104 LYS HE3 . 34695 1 1198 . 1 . 1 107 107 LYS C C 13 176.267 0.003 . . . . . . A 104 LYS C . 34695 1 1199 . 1 . 1 107 107 LYS CA C 13 54.926 0.050 . . . . . . A 104 LYS CA . 34695 1 1200 . 1 . 1 107 107 LYS CB C 13 34.353 0.062 . . . . . . A 104 LYS CB . 34695 1 1201 . 1 . 1 107 107 LYS CG C 13 24.476 0.018 . . . . . . A 104 LYS CG . 34695 1 1202 . 1 . 1 107 107 LYS CD C 13 28.940 0.048 . . . . . . A 104 LYS CD . 34695 1 1203 . 1 . 1 107 107 LYS CE C 13 42.247 0.062 . . . . . . A 104 LYS CE . 34695 1 1204 . 1 . 1 107 107 LYS N N 15 123.136 0.070 . . . . . . A 104 LYS N . 34695 1 1205 . 1 . 1 108 108 ILE H H 1 10.103 0.008 . . . . . . A 105 ILE H . 34695 1 1206 . 1 . 1 108 108 ILE HA H 1 3.892 0.005 . . . . . . A 105 ILE HA . 34695 1 1207 . 1 . 1 108 108 ILE HB H 1 2.091 0.000 . . . . . . A 105 ILE HB . 34695 1 1208 . 1 . 1 108 108 ILE HG12 H 1 0.670 0.004 . . . . . . A 105 ILE HG12 . 34695 1 1209 . 1 . 1 108 108 ILE HG13 H 1 1.927 0.000 . . . . . . A 105 ILE HG13 . 34695 1 1210 . 1 . 1 108 108 ILE HG21 H 1 1.214 0.006 . . . . . . A 105 ILE HG21 . 34695 1 1211 . 1 . 1 108 108 ILE HG22 H 1 1.214 0.006 . . . . . . A 105 ILE HG22 . 34695 1 1212 . 1 . 1 108 108 ILE HG23 H 1 1.214 0.006 . . . . . . A 105 ILE HG23 . 34695 1 1213 . 1 . 1 108 108 ILE HD11 H 1 0.785 0.000 . . . . . . A 105 ILE HD11 . 34695 1 1214 . 1 . 1 108 108 ILE HD12 H 1 0.785 0.000 . . . . . . A 105 ILE HD12 . 34695 1 1215 . 1 . 1 108 108 ILE HD13 H 1 0.785 0.000 . . . . . . A 105 ILE HD13 . 34695 1 1216 . 1 . 1 108 108 ILE C C 13 175.543 0.013 . . . . . . A 105 ILE C . 34695 1 1217 . 1 . 1 108 108 ILE CA C 13 63.571 0.067 . . . . . . A 105 ILE CA . 34695 1 1218 . 1 . 1 108 108 ILE CB C 13 38.809 0.088 . . . . . . A 105 ILE CB . 34695 1 1219 . 1 . 1 108 108 ILE CG1 C 13 28.275 0.027 . . . . . . A 105 ILE CG1 . 34695 1 1220 . 1 . 1 108 108 ILE CG2 C 13 22.137 0.079 . . . . . . A 105 ILE CG2 . 34695 1 1221 . 1 . 1 108 108 ILE CD1 C 13 14.978 0.042 . . . . . . A 105 ILE CD1 . 34695 1 1222 . 1 . 1 108 108 ILE N N 15 126.116 0.044 . . . . . . A 105 ILE N . 34695 1 1223 . 1 . 1 109 109 ALA H H 1 9.430 0.006 . . . . . . A 106 ALA H . 34695 1 1224 . 1 . 1 109 109 ALA HA H 1 4.759 0.005 . . . . . . A 106 ALA HA . 34695 1 1225 . 1 . 1 109 109 ALA HB1 H 1 1.650 0.002 . . . . . . A 106 ALA HB1 . 34695 1 1226 . 1 . 1 109 109 ALA HB2 H 1 1.650 0.002 . . . . . . A 106 ALA HB2 . 34695 1 1227 . 1 . 1 109 109 ALA HB3 H 1 1.650 0.002 . . . . . . A 106 ALA HB3 . 34695 1 1228 . 1 . 1 109 109 ALA C C 13 178.471 0.011 . . . . . . A 106 ALA C . 34695 1 1229 . 1 . 1 109 109 ALA CA C 13 54.377 0.079 . . . . . . A 106 ALA CA . 34695 1 1230 . 1 . 1 109 109 ALA CB C 13 21.061 0.044 . . . . . . A 106 ALA CB . 34695 1 1231 . 1 . 1 109 109 ALA N N 15 132.157 0.083 . . . . . . A 106 ALA N . 34695 1 1232 . 1 . 1 110 110 THR H H 1 8.031 0.005 . . . . . . A 107 THR H . 34695 1 1233 . 1 . 1 110 110 THR HA H 1 4.960 0.006 . . . . . . A 107 THR HA . 34695 1 1234 . 1 . 1 110 110 THR HB H 1 4.330 0.002 . . . . . . A 107 THR HB . 34695 1 1235 . 1 . 1 110 110 THR HG21 H 1 1.243 0.005 . . . . . . A 107 THR HG21 . 34695 1 1236 . 1 . 1 110 110 THR HG22 H 1 1.243 0.005 . . . . . . A 107 THR HG22 . 34695 1 1237 . 1 . 1 110 110 THR HG23 H 1 1.243 0.005 . . . . . . A 107 THR HG23 . 34695 1 1238 . 1 . 1 110 110 THR C C 13 171.106 0.005 . . . . . . A 107 THR C . 34695 1 1239 . 1 . 1 110 110 THR CA C 13 60.186 0.057 . . . . . . A 107 THR CA . 34695 1 1240 . 1 . 1 110 110 THR CB C 13 73.489 0.080 . . . . . . A 107 THR CB . 34695 1 1241 . 1 . 1 110 110 THR CG2 C 13 21.957 0.109 . . . . . . A 107 THR CG2 . 34695 1 1242 . 1 . 1 110 110 THR N N 15 107.027 0.036 . . . . . . A 107 THR N . 34695 1 1243 . 1 . 1 111 111 ARG H H 1 8.247 0.008 . . . . . . A 108 ARG H . 34695 1 1244 . 1 . 1 111 111 ARG HA H 1 4.782 0.007 . . . . . . A 108 ARG HA . 34695 1 1245 . 1 . 1 111 111 ARG HB2 H 1 1.216 0.004 . . . . . . A 108 ARG HB2 . 34695 1 1246 . 1 . 1 111 111 ARG HB3 H 1 0.109 0.006 . . . . . . A 108 ARG HB3 . 34695 1 1247 . 1 . 1 111 111 ARG HG2 H 1 0.439 0.008 . . . . . . A 108 ARG HG2 . 34695 1 1248 . 1 . 1 111 111 ARG HG3 H 1 0.445 0.000 . . . . . . A 108 ARG HG3 . 34695 1 1249 . 1 . 1 111 111 ARG HD2 H 1 2.897 0.004 . . . . . . A 108 ARG HD2 . 34695 1 1250 . 1 . 1 111 111 ARG HD3 H 1 2.702 0.008 . . . . . . A 108 ARG HD3 . 34695 1 1251 . 1 . 1 111 111 ARG C C 13 175.039 0.017 . . . . . . A 108 ARG C . 34695 1 1252 . 1 . 1 111 111 ARG CA C 13 54.353 0.060 . . . . . . A 108 ARG CA . 34695 1 1253 . 1 . 1 111 111 ARG CB C 13 33.257 0.082 . . . . . . A 108 ARG CB . 34695 1 1254 . 1 . 1 111 111 ARG CG C 13 27.119 0.054 . . . . . . A 108 ARG CG . 34695 1 1255 . 1 . 1 111 111 ARG CD C 13 44.197 0.069 . . . . . . A 108 ARG CD . 34695 1 1256 . 1 . 1 111 111 ARG N N 15 121.559 0.134 . . . . . . A 108 ARG N . 34695 1 1257 . 1 . 1 112 112 GLU H H 1 8.693 0.006 . . . . . . A 109 GLU H . 34695 1 1258 . 1 . 1 112 112 GLU HA H 1 4.919 0.005 . . . . . . A 109 GLU HA . 34695 1 1259 . 1 . 1 112 112 GLU HB2 H 1 1.995 0.015 . . . . . . A 109 GLU HB2 . 34695 1 1260 . 1 . 1 112 112 GLU HB3 H 1 1.995 0.015 . . . . . . A 109 GLU HB3 . 34695 1 1261 . 1 . 1 112 112 GLU HG2 H 1 2.304 0.004 . . . . . . A 109 GLU HG2 . 34695 1 1262 . 1 . 1 112 112 GLU HG3 H 1 2.304 0.004 . . . . . . A 109 GLU HG3 . 34695 1 1263 . 1 . 1 112 112 GLU C C 13 175.078 0.000 . . . . . . A 109 GLU C . 34695 1 1264 . 1 . 1 112 112 GLU CA C 13 54.548 0.048 . . . . . . A 109 GLU CA . 34695 1 1265 . 1 . 1 112 112 GLU CB C 13 33.892 0.076 . . . . . . A 109 GLU CB . 34695 1 1266 . 1 . 1 112 112 GLU CG C 13 35.884 0.041 . . . . . . A 109 GLU CG . 34695 1 1267 . 1 . 1 112 112 GLU N N 15 126.439 0.058 . . . . . . A 109 GLU N . 34695 1 1268 . 1 . 1 113 113 TYR H H 1 9.085 0.004 . . . . . . A 110 TYR H . 34695 1 1269 . 1 . 1 113 113 TYR HA H 1 4.051 0.009 . . . . . . A 110 TYR HA . 34695 1 1270 . 1 . 1 113 113 TYR HB2 H 1 3.156 0.002 . . . . . . A 110 TYR HB2 . 34695 1 1271 . 1 . 1 113 113 TYR HB3 H 1 2.866 0.006 . . . . . . A 110 TYR HB3 . 34695 1 1272 . 1 . 1 113 113 TYR HD1 H 1 6.544 0.002 . . . . . . A 110 TYR HD1 . 34695 1 1273 . 1 . 1 113 113 TYR HD2 H 1 6.544 0.002 . . . . . . A 110 TYR HD2 . 34695 1 1274 . 1 . 1 113 113 TYR C C 13 176.039 0.015 . . . . . . A 110 TYR C . 34695 1 1275 . 1 . 1 113 113 TYR CA C 13 58.099 0.076 . . . . . . A 110 TYR CA . 34695 1 1276 . 1 . 1 113 113 TYR CB C 13 38.294 0.077 . . . . . . A 110 TYR CB . 34695 1 1277 . 1 . 1 113 113 TYR CD2 C 13 133.212 0.000 . . . . . . A 110 TYR CD2 . 34695 1 1278 . 1 . 1 113 113 TYR N N 15 126.821 0.052 . . . . . . A 110 TYR N . 34695 1 1279 . 1 . 1 114 114 THR H H 1 7.960 0.005 . . . . . . A 111 THR H . 34695 1 1280 . 1 . 1 114 114 THR HA H 1 4.403 0.004 . . . . . . A 111 THR HA . 34695 1 1281 . 1 . 1 114 114 THR HB H 1 4.036 0.004 . . . . . . A 111 THR HB . 34695 1 1282 . 1 . 1 114 114 THR HG21 H 1 1.005 0.002 . . . . . . A 111 THR HG21 . 34695 1 1283 . 1 . 1 114 114 THR HG22 H 1 1.005 0.002 . . . . . . A 111 THR HG22 . 34695 1 1284 . 1 . 1 114 114 THR HG23 H 1 1.005 0.002 . . . . . . A 111 THR HG23 . 34695 1 1285 . 1 . 1 114 114 THR C C 13 173.950 0.000 . . . . . . A 111 THR C . 34695 1 1286 . 1 . 1 114 114 THR CA C 13 61.992 0.027 . . . . . . A 111 THR CA . 34695 1 1287 . 1 . 1 114 114 THR CB C 13 69.084 0.028 . . . . . . A 111 THR CB . 34695 1 1288 . 1 . 1 114 114 THR CG2 C 13 22.309 0.093 . . . . . . A 111 THR CG2 . 34695 1 1289 . 1 . 1 114 114 THR N N 15 120.025 0.075 . . . . . . A 111 THR N . 34695 1 1290 . 1 . 1 115 115 GLY H H 1 5.743 0.006 . . . . . . A 112 GLY H . 34695 1 1291 . 1 . 1 115 115 GLY HA2 H 1 3.341 0.010 . . . . . . A 112 GLY HA2 . 34695 1 1292 . 1 . 1 115 115 GLY HA3 H 1 4.375 0.018 . . . . . . A 112 GLY HA3 . 34695 1 1293 . 1 . 1 115 115 GLY C C 13 171.615 0.004 . . . . . . A 112 GLY C . 34695 1 1294 . 1 . 1 115 115 GLY CA C 13 44.325 0.053 . . . . . . A 112 GLY CA . 34695 1 1295 . 1 . 1 115 115 GLY N N 15 108.452 0.066 . . . . . . A 112 GLY N . 34695 1 1296 . 1 . 1 116 116 SER H H 1 8.209 0.007 . . . . . . A 113 SER H . 34695 1 1297 . 1 . 1 116 116 SER HA H 1 5.234 0.003 . . . . . . A 113 SER HA . 34695 1 1298 . 1 . 1 116 116 SER HB2 H 1 3.712 0.006 . . . . . . A 113 SER HB2 . 34695 1 1299 . 1 . 1 116 116 SER HB3 H 1 3.712 0.006 . . . . . . A 113 SER HB3 . 34695 1 1300 . 1 . 1 116 116 SER C C 13 174.799 0.000 . . . . . . A 113 SER C . 34695 1 1301 . 1 . 1 116 116 SER CA C 13 57.189 0.036 . . . . . . A 113 SER CA . 34695 1 1302 . 1 . 1 116 116 SER CB C 13 63.790 0.115 . . . . . . A 113 SER CB . 34695 1 1303 . 1 . 1 116 116 SER N N 15 114.574 0.103 . . . . . . A 113 SER N . 34695 1 1304 . 1 . 1 117 117 GLU H H 1 8.778 0.005 . . . . . . A 114 GLU H . 34695 1 1305 . 1 . 1 117 117 GLU HA H 1 4.863 0.008 . . . . . . A 114 GLU HA . 34695 1 1306 . 1 . 1 117 117 GLU HB2 H 1 2.326 0.005 . . . . . . A 114 GLU HB2 . 34695 1 1307 . 1 . 1 117 117 GLU HB3 H 1 1.908 0.002 . . . . . . A 114 GLU HB3 . 34695 1 1308 . 1 . 1 117 117 GLU HG2 H 1 2.091 0.001 . . . . . . A 114 GLU HG2 . 34695 1 1309 . 1 . 1 117 117 GLU HG3 H 1 2.265 0.002 . . . . . . A 114 GLU HG3 . 34695 1 1310 . 1 . 1 117 117 GLU C C 13 174.282 0.003 . . . . . . A 114 GLU C . 34695 1 1311 . 1 . 1 117 117 GLU CA C 13 54.431 0.040 . . . . . . A 114 GLU CA . 34695 1 1312 . 1 . 1 117 117 GLU CB C 13 34.347 0.061 . . . . . . A 114 GLU CB . 34695 1 1313 . 1 . 1 117 117 GLU CG C 13 35.499 0.032 . . . . . . A 114 GLU CG . 34695 1 1314 . 1 . 1 117 117 GLU N N 15 122.310 0.103 . . . . . . A 114 GLU N . 34695 1 1315 . 1 . 1 118 118 ASP H H 1 8.562 0.004 . . . . . . A 115 ASP H . 34695 1 1316 . 1 . 1 118 118 ASP HA H 1 4.808 0.008 . . . . . . A 115 ASP HA . 34695 1 1317 . 1 . 1 118 118 ASP HB2 H 1 2.776 0.000 . . . . . . A 115 ASP HB2 . 34695 1 1318 . 1 . 1 118 118 ASP HB3 H 1 2.894 0.007 . . . . . . A 115 ASP HB3 . 34695 1 1319 . 1 . 1 118 118 ASP C C 13 176.043 0.006 . . . . . . A 115 ASP C . 34695 1 1320 . 1 . 1 118 118 ASP CA C 13 55.344 0.107 . . . . . . A 115 ASP CA . 34695 1 1321 . 1 . 1 118 118 ASP CB C 13 40.496 0.075 . . . . . . A 115 ASP CB . 34695 1 1322 . 1 . 1 118 118 ASP N N 15 120.845 0.107 . . . . . . A 115 ASP N . 34695 1 1323 . 1 . 1 119 119 VAL H H 1 8.349 0.004 . . . . . . A 116 VAL H . 34695 1 1324 . 1 . 1 119 119 VAL HA H 1 5.264 0.005 . . . . . . A 116 VAL HA . 34695 1 1325 . 1 . 1 119 119 VAL HB H 1 2.277 0.002 . . . . . . A 116 VAL HB . 34695 1 1326 . 1 . 1 119 119 VAL HG11 H 1 0.685 0.002 . . . . . . A 116 VAL HG11 . 34695 1 1327 . 1 . 1 119 119 VAL HG12 H 1 0.685 0.002 . . . . . . A 116 VAL HG12 . 34695 1 1328 . 1 . 1 119 119 VAL HG13 H 1 0.685 0.002 . . . . . . A 116 VAL HG13 . 34695 1 1329 . 1 . 1 119 119 VAL HG21 H 1 0.823 0.001 . . . . . . A 116 VAL HG21 . 34695 1 1330 . 1 . 1 119 119 VAL HG22 H 1 0.823 0.001 . . . . . . A 116 VAL HG22 . 34695 1 1331 . 1 . 1 119 119 VAL HG23 H 1 0.823 0.001 . . . . . . A 116 VAL HG23 . 34695 1 1332 . 1 . 1 119 119 VAL C C 13 176.357 0.009 . . . . . . A 116 VAL C . 34695 1 1333 . 1 . 1 119 119 VAL CA C 13 60.134 0.075 . . . . . . A 116 VAL CA . 34695 1 1334 . 1 . 1 119 119 VAL CB C 13 35.334 0.049 . . . . . . A 116 VAL CB . 34695 1 1335 . 1 . 1 119 119 VAL CG1 C 13 21.248 0.041 . . . . . . A 116 VAL CG1 . 34695 1 1336 . 1 . 1 119 119 VAL CG2 C 13 22.825 0.034 . . . . . . A 116 VAL CG2 . 34695 1 1337 . 1 . 1 119 119 VAL N N 15 115.293 0.124 . . . . . . A 116 VAL N . 34695 1 1338 . 1 . 1 120 120 TYR H H 1 9.116 0.006 . . . . . . A 117 TYR H . 34695 1 1339 . 1 . 1 120 120 TYR HA H 1 5.405 0.007 . . . . . . A 117 TYR HA . 34695 1 1340 . 1 . 1 120 120 TYR HB2 H 1 2.574 0.004 . . . . . . A 117 TYR HB2 . 34695 1 1341 . 1 . 1 120 120 TYR HB3 H 1 3.247 0.010 . . . . . . A 117 TYR HB3 . 34695 1 1342 . 1 . 1 120 120 TYR HD1 H 1 7.207 0.011 . . . . . . A 117 TYR HD1 . 34695 1 1343 . 1 . 1 120 120 TYR HD2 H 1 7.207 0.011 . . . . . . A 117 TYR HD2 . 34695 1 1344 . 1 . 1 120 120 TYR C C 13 174.442 0.000 . . . . . . A 117 TYR C . 34695 1 1345 . 1 . 1 120 120 TYR CA C 13 59.194 0.035 . . . . . . A 117 TYR CA . 34695 1 1346 . 1 . 1 120 120 TYR CB C 13 46.502 0.085 . . . . . . A 117 TYR CB . 34695 1 1347 . 1 . 1 120 120 TYR CD1 C 13 133.888 0.000 . . . . . . A 117 TYR CD1 . 34695 1 1348 . 1 . 1 120 120 TYR N N 15 116.448 0.092 . . . . . . A 117 TYR N . 34695 1 1349 . 1 . 1 121 121 ASP H H 1 9.647 0.003 . . . . . . A 118 ASP H . 34695 1 1350 . 1 . 1 121 121 ASP HA H 1 5.433 0.007 . . . . . . A 118 ASP HA . 34695 1 1351 . 1 . 1 121 121 ASP HB2 H 1 3.027 0.007 . . . . . . A 118 ASP HB2 . 34695 1 1352 . 1 . 1 121 121 ASP HB3 H 1 2.769 0.006 . . . . . . A 118 ASP HB3 . 34695 1 1353 . 1 . 1 121 121 ASP C C 13 174.182 0.000 . . . . . . A 118 ASP C . 34695 1 1354 . 1 . 1 121 121 ASP CA C 13 54.366 0.065 . . . . . . A 118 ASP CA . 34695 1 1355 . 1 . 1 121 121 ASP CB C 13 45.824 0.022 . . . . . . A 118 ASP CB . 34695 1 1356 . 1 . 1 121 121 ASP N N 15 119.217 0.138 . . . . . . A 118 ASP N . 34695 1 1357 . 1 . 1 122 122 ILE H H 1 7.611 0.006 . . . . . . A 119 ILE H . 34695 1 1358 . 1 . 1 122 122 ILE HA H 1 4.749 0.004 . . . . . . A 119 ILE HA . 34695 1 1359 . 1 . 1 122 122 ILE HB H 1 1.548 0.008 . . . . . . A 119 ILE HB . 34695 1 1360 . 1 . 1 122 122 ILE HG12 H 1 0.395 0.008 . . . . . . A 119 ILE HG12 . 34695 1 1361 . 1 . 1 122 122 ILE HG13 H 1 0.168 0.006 . . . . . . A 119 ILE HG13 . 34695 1 1362 . 1 . 1 122 122 ILE HG21 H 1 0.738 0.003 . . . . . . A 119 ILE HG21 . 34695 1 1363 . 1 . 1 122 122 ILE HG22 H 1 0.738 0.003 . . . . . . A 119 ILE HG22 . 34695 1 1364 . 1 . 1 122 122 ILE HG23 H 1 0.738 0.003 . . . . . . A 119 ILE HG23 . 34695 1 1365 . 1 . 1 122 122 ILE HD11 H 1 0.163 0.000 . . . . . . A 119 ILE HD11 . 34695 1 1366 . 1 . 1 122 122 ILE HD12 H 1 0.163 0.000 . . . . . . A 119 ILE HD12 . 34695 1 1367 . 1 . 1 122 122 ILE HD13 H 1 0.163 0.000 . . . . . . A 119 ILE HD13 . 34695 1 1368 . 1 . 1 122 122 ILE C C 13 173.635 0.006 . . . . . . A 119 ILE C . 34695 1 1369 . 1 . 1 122 122 ILE CA C 13 59.411 0.084 . . . . . . A 119 ILE CA . 34695 1 1370 . 1 . 1 122 122 ILE CB C 13 42.610 0.092 . . . . . . A 119 ILE CB . 34695 1 1371 . 1 . 1 122 122 ILE CG1 C 13 25.215 0.060 . . . . . . A 119 ILE CG1 . 34695 1 1372 . 1 . 1 122 122 ILE CG2 C 13 18.578 0.078 . . . . . . A 119 ILE CG2 . 34695 1 1373 . 1 . 1 122 122 ILE CD1 C 13 14.585 0.000 . . . . . . A 119 ILE CD1 . 34695 1 1374 . 1 . 1 122 122 ILE N N 15 111.801 0.068 . . . . . . A 119 ILE N . 34695 1 1375 . 1 . 1 123 123 GLY H H 1 8.056 0.005 . . . . . . A 120 GLY H . 34695 1 1376 . 1 . 1 123 123 GLY HA2 H 1 5.028 0.009 . . . . . . A 120 GLY HA2 . 34695 1 1377 . 1 . 1 123 123 GLY HA3 H 1 3.702 0.008 . . . . . . A 120 GLY HA3 . 34695 1 1378 . 1 . 1 123 123 GLY C C 13 172.636 0.002 . . . . . . A 120 GLY C . 34695 1 1379 . 1 . 1 123 123 GLY CA C 13 43.862 0.044 . . . . . . A 120 GLY CA . 34695 1 1380 . 1 . 1 123 123 GLY N N 15 105.552 0.051 . . . . . . A 120 GLY N . 34695 1 1381 . 1 . 1 124 124 VAL H H 1 8.798 0.004 . . . . . . A 121 VAL H . 34695 1 1382 . 1 . 1 124 124 VAL HA H 1 4.674 0.005 . . . . . . A 121 VAL HA . 34695 1 1383 . 1 . 1 124 124 VAL HB H 1 2.215 0.005 . . . . . . A 121 VAL HB . 34695 1 1384 . 1 . 1 124 124 VAL HG11 H 1 0.994 0.003 . . . . . . A 121 VAL HG11 . 34695 1 1385 . 1 . 1 124 124 VAL HG12 H 1 0.994 0.003 . . . . . . A 121 VAL HG12 . 34695 1 1386 . 1 . 1 124 124 VAL HG13 H 1 0.994 0.003 . . . . . . A 121 VAL HG13 . 34695 1 1387 . 1 . 1 124 124 VAL HG21 H 1 0.813 0.004 . . . . . . A 121 VAL HG21 . 34695 1 1388 . 1 . 1 124 124 VAL HG22 H 1 0.813 0.004 . . . . . . A 121 VAL HG22 . 34695 1 1389 . 1 . 1 124 124 VAL HG23 H 1 0.813 0.004 . . . . . . A 121 VAL HG23 . 34695 1 1390 . 1 . 1 124 124 VAL C C 13 175.674 0.007 . . . . . . A 121 VAL C . 34695 1 1391 . 1 . 1 124 124 VAL CA C 13 59.633 0.097 . . . . . . A 121 VAL CA . 34695 1 1392 . 1 . 1 124 124 VAL CB C 13 35.564 0.089 . . . . . . A 121 VAL CB . 34695 1 1393 . 1 . 1 124 124 VAL CG1 C 13 19.034 0.143 . . . . . . A 121 VAL CG1 . 34695 1 1394 . 1 . 1 124 124 VAL CG2 C 13 22.107 0.045 . . . . . . A 121 VAL CG2 . 34695 1 1395 . 1 . 1 124 124 VAL N N 15 114.001 0.091 . . . . . . A 121 VAL N . 34695 1 1396 . 1 . 1 125 125 GLU H H 1 8.865 0.006 . . . . . . A 122 GLU H . 34695 1 1397 . 1 . 1 125 125 GLU HA H 1 4.227 0.007 . . . . . . A 122 GLU HA . 34695 1 1398 . 1 . 1 125 125 GLU HB2 H 1 2.171 0.010 . . . . . . A 122 GLU HB2 . 34695 1 1399 . 1 . 1 125 125 GLU HB3 H 1 2.171 0.010 . . . . . . A 122 GLU HB3 . 34695 1 1400 . 1 . 1 125 125 GLU HG2 H 1 2.283 0.000 . . . . . . A 122 GLU HG2 . 34695 1 1401 . 1 . 1 125 125 GLU HG3 H 1 2.445 0.000 . . . . . . A 122 GLU HG3 . 34695 1 1402 . 1 . 1 125 125 GLU C C 13 177.367 0.002 . . . . . . A 122 GLU C . 34695 1 1403 . 1 . 1 125 125 GLU CA C 13 59.591 0.081 . . . . . . A 122 GLU CA . 34695 1 1404 . 1 . 1 125 125 GLU CB C 13 30.841 0.088 . . . . . . A 122 GLU CB . 34695 1 1405 . 1 . 1 125 125 GLU CG C 13 36.880 0.019 . . . . . . A 122 GLU CG . 34695 1 1406 . 1 . 1 125 125 GLU N N 15 121.227 0.082 . . . . . . A 122 GLU N . 34695 1 1407 . 1 . 1 126 126 SER H H 1 8.447 0.007 . . . . . . A 123 SER H . 34695 1 1408 . 1 . 1 126 126 SER HA H 1 4.829 0.002 . . . . . . A 123 SER HA . 34695 1 1409 . 1 . 1 126 126 SER HB2 H 1 3.947 0.020 . . . . . . A 123 SER HB2 . 34695 1 1410 . 1 . 1 126 126 SER HB3 H 1 3.939 0.020 . . . . . . A 123 SER HB3 . 34695 1 1411 . 1 . 1 126 126 SER C C 13 173.702 0.000 . . . . . . A 123 SER C . 34695 1 1412 . 1 . 1 126 126 SER CA C 13 58.156 0.087 . . . . . . A 123 SER CA . 34695 1 1413 . 1 . 1 126 126 SER CB C 13 64.139 0.043 . . . . . . A 123 SER CB . 34695 1 1414 . 1 . 1 126 126 SER N N 15 112.968 0.145 . . . . . . A 123 SER N . 34695 1 1415 . 1 . 1 127 127 ASP H H 1 8.131 0.005 . . . . . . A 124 ASP H . 34695 1 1416 . 1 . 1 127 127 ASP HA H 1 4.722 0.002 . . . . . . A 124 ASP HA . 34695 1 1417 . 1 . 1 127 127 ASP HB2 H 1 3.034 0.000 . . . . . . A 124 ASP HB2 . 34695 1 1418 . 1 . 1 127 127 ASP HB3 H 1 3.034 0.000 . . . . . . A 124 ASP HB3 . 34695 1 1419 . 1 . 1 127 127 ASP C C 13 176.008 0.000 . . . . . . A 124 ASP C . 34695 1 1420 . 1 . 1 127 127 ASP CA C 13 58.949 0.021 . . . . . . A 124 ASP CA . 34695 1 1421 . 1 . 1 127 127 ASP CB C 13 39.935 0.058 . . . . . . A 124 ASP CB . 34695 1 1422 . 1 . 1 127 127 ASP N N 15 121.716 0.119 . . . . . . A 124 ASP N . 34695 1 1423 . 1 . 1 128 128 HIS H H 1 8.459 0.008 . . . . . . A 125 HIS H . 34695 1 1424 . 1 . 1 128 128 HIS HA H 1 4.371 0.003 . . . . . . A 125 HIS HA . 34695 1 1425 . 1 . 1 128 128 HIS HB2 H 1 3.605 0.006 . . . . . . A 125 HIS HB2 . 34695 1 1426 . 1 . 1 128 128 HIS HB3 H 1 3.605 0.006 . . . . . . A 125 HIS HB3 . 34695 1 1427 . 1 . 1 128 128 HIS HD2 H 1 7.347 0.002 . . . . . . A 125 HIS HD2 . 34695 1 1428 . 1 . 1 128 128 HIS HE1 H 1 8.560 0.000 . . . . . . A 125 HIS HE1 . 34695 1 1429 . 1 . 1 128 128 HIS CA C 13 56.260 0.064 . . . . . . A 125 HIS CA . 34695 1 1430 . 1 . 1 128 128 HIS CB C 13 26.499 0.058 . . . . . . A 125 HIS CB . 34695 1 1431 . 1 . 1 128 128 HIS CD2 C 13 120.795 0.000 . . . . . . A 125 HIS CD2 . 34695 1 1432 . 1 . 1 128 128 HIS CE1 C 13 137.023 0.000 . . . . . . A 125 HIS CE1 . 34695 1 1433 . 1 . 1 128 128 HIS N N 15 115.652 0.109 . . . . . . A 125 HIS N . 34695 1 1434 . 1 . 1 129 129 ASN H H 1 7.130 0.006 . . . . . . A 126 ASN H . 34695 1 1435 . 1 . 1 129 129 ASN HA H 1 5.552 0.008 . . . . . . A 126 ASN HA . 34695 1 1436 . 1 . 1 129 129 ASN HB2 H 1 2.574 0.021 . . . . . . A 126 ASN HB2 . 34695 1 1437 . 1 . 1 129 129 ASN HB3 H 1 2.707 0.022 . . . . . . A 126 ASN HB3 . 34695 1 1438 . 1 . 1 129 129 ASN HD21 H 1 8.000 0.005 . . . . . . A 126 ASN HD21 . 34695 1 1439 . 1 . 1 129 129 ASN HD22 H 1 6.520 0.005 . . . . . . A 126 ASN HD22 . 34695 1 1440 . 1 . 1 129 129 ASN C C 13 172.200 0.009 . . . . . . A 126 ASN C . 34695 1 1441 . 1 . 1 129 129 ASN CA C 13 53.097 0.044 . . . . . . A 126 ASN CA . 34695 1 1442 . 1 . 1 129 129 ASN CB C 13 41.669 0.067 . . . . . . A 126 ASN CB . 34695 1 1443 . 1 . 1 129 129 ASN CG C 13 178.479 0.001 . . . . . . A 126 ASN CG . 34695 1 1444 . 1 . 1 129 129 ASN N N 15 111.477 0.051 . . . . . . A 126 ASN N . 34695 1 1445 . 1 . 1 129 129 ASN ND2 N 15 114.139 0.017 . . . . . . A 126 ASN ND2 . 34695 1 1446 . 1 . 1 130 130 PHE H H 1 8.376 0.006 . . . . . . A 127 PHE H . 34695 1 1447 . 1 . 1 130 130 PHE HA H 1 5.860 0.009 . . . . . . A 127 PHE HA . 34695 1 1448 . 1 . 1 130 130 PHE HB2 H 1 2.960 0.001 . . . . . . A 127 PHE HB2 . 34695 1 1449 . 1 . 1 130 130 PHE HB3 H 1 3.272 0.003 . . . . . . A 127 PHE HB3 . 34695 1 1450 . 1 . 1 130 130 PHE HD1 H 1 6.836 0.000 . . . . . . A 127 PHE HD1 . 34695 1 1451 . 1 . 1 130 130 PHE HD2 H 1 6.836 0.000 . . . . . . A 127 PHE HD2 . 34695 1 1452 . 1 . 1 130 130 PHE HE1 H 1 6.836 0.000 . . . . . . A 127 PHE HE1 . 34695 1 1453 . 1 . 1 130 130 PHE HE2 H 1 6.836 0.000 . . . . . . A 127 PHE HE2 . 34695 1 1454 . 1 . 1 130 130 PHE HZ H 1 6.836 0.000 . . . . . . A 127 PHE HZ . 34695 1 1455 . 1 . 1 130 130 PHE C C 13 173.958 0.008 . . . . . . A 127 PHE C . 34695 1 1456 . 1 . 1 130 130 PHE CA C 13 55.670 0.071 . . . . . . A 127 PHE CA . 34695 1 1457 . 1 . 1 130 130 PHE CB C 13 39.986 0.108 . . . . . . A 127 PHE CB . 34695 1 1458 . 1 . 1 130 130 PHE CD1 C 13 132.116 0.000 . . . . . . A 127 PHE CD1 . 34695 1 1459 . 1 . 1 130 130 PHE N N 15 114.194 0.105 . . . . . . A 127 PHE N . 34695 1 1460 . 1 . 1 131 131 ALA H H 1 8.690 0.005 . . . . . . A 128 ALA H . 34695 1 1461 . 1 . 1 131 131 ALA HA H 1 5.384 0.009 . . . . . . A 128 ALA HA . 34695 1 1462 . 1 . 1 131 131 ALA HB1 H 1 1.485 0.007 . . . . . . A 128 ALA HB1 . 34695 1 1463 . 1 . 1 131 131 ALA HB2 H 1 1.485 0.007 . . . . . . A 128 ALA HB2 . 34695 1 1464 . 1 . 1 131 131 ALA HB3 H 1 1.485 0.007 . . . . . . A 128 ALA HB3 . 34695 1 1465 . 1 . 1 131 131 ALA C C 13 178.922 0.005 . . . . . . A 128 ALA C . 34695 1 1466 . 1 . 1 131 131 ALA CA C 13 51.879 0.039 . . . . . . A 128 ALA CA . 34695 1 1467 . 1 . 1 131 131 ALA CB C 13 19.958 0.091 . . . . . . A 128 ALA CB . 34695 1 1468 . 1 . 1 131 131 ALA N N 15 121.527 0.088 . . . . . . A 128 ALA N . 34695 1 1469 . 1 . 1 132 132 LEU H H 1 9.214 0.004 . . . . . . A 129 LEU H . 34695 1 1470 . 1 . 1 132 132 LEU HA H 1 5.271 0.007 . . . . . . A 129 LEU HA . 34695 1 1471 . 1 . 1 132 132 LEU HB2 H 1 2.507 0.004 . . . . . . A 129 LEU HB2 . 34695 1 1472 . 1 . 1 132 132 LEU HB3 H 1 2.175 0.000 . . . . . . A 129 LEU HB3 . 34695 1 1473 . 1 . 1 132 132 LEU HG H 1 1.703 0.000 . . . . . . A 129 LEU HG . 34695 1 1474 . 1 . 1 132 132 LEU HD11 H 1 1.332 0.002 . . . . . . A 129 LEU HD11 . 34695 1 1475 . 1 . 1 132 132 LEU HD12 H 1 1.332 0.002 . . . . . . A 129 LEU HD12 . 34695 1 1476 . 1 . 1 132 132 LEU HD13 H 1 1.332 0.002 . . . . . . A 129 LEU HD13 . 34695 1 1477 . 1 . 1 132 132 LEU HD21 H 1 1.211 0.005 . . . . . . A 129 LEU HD21 . 34695 1 1478 . 1 . 1 132 132 LEU HD22 H 1 1.211 0.005 . . . . . . A 129 LEU HD22 . 34695 1 1479 . 1 . 1 132 132 LEU HD23 H 1 1.211 0.005 . . . . . . A 129 LEU HD23 . 34695 1 1480 . 1 . 1 132 132 LEU C C 13 179.275 0.000 . . . . . . A 129 LEU C . 34695 1 1481 . 1 . 1 132 132 LEU CA C 13 53.619 0.074 . . . . . . A 129 LEU CA . 34695 1 1482 . 1 . 1 132 132 LEU CB C 13 44.225 0.052 . . . . . . A 129 LEU CB . 34695 1 1483 . 1 . 1 132 132 LEU CG C 13 27.302 0.000 . . . . . . A 129 LEU CG . 34695 1 1484 . 1 . 1 132 132 LEU CD1 C 13 26.279 0.028 . . . . . . A 129 LEU CD1 . 34695 1 1485 . 1 . 1 132 132 LEU CD2 C 13 24.773 0.052 . . . . . . A 129 LEU CD2 . 34695 1 1486 . 1 . 1 132 132 LEU N N 15 121.539 0.107 . . . . . . A 129 LEU N . 34695 1 1487 . 1 . 1 133 133 SER HA H 1 4.579 0.002 . . . . . . A 130 SER HA . 34695 1 1488 . 1 . 1 133 133 SER HB2 H 1 3.969 0.000 . . . . . . A 130 SER HB2 . 34695 1 1489 . 1 . 1 133 133 SER HB3 H 1 4.020 0.007 . . . . . . A 130 SER HB3 . 34695 1 1490 . 1 . 1 133 133 SER C C 13 174.399 0.000 . . . . . . A 130 SER C . 34695 1 1491 . 1 . 1 133 133 SER CA C 13 58.641 0.071 . . . . . . A 130 SER CA . 34695 1 1492 . 1 . 1 133 133 SER CB C 13 64.185 0.045 . . . . . . A 130 SER CB . 34695 1 1493 . 1 . 1 134 134 ASP H H 1 8.378 0.010 . . . . . . A 131 ASP H . 34695 1 1494 . 1 . 1 134 134 ASP HA H 1 4.722 0.001 . . . . . . A 131 ASP HA . 34695 1 1495 . 1 . 1 134 134 ASP HB2 H 1 2.798 0.001 . . . . . . A 131 ASP HB2 . 34695 1 1496 . 1 . 1 134 134 ASP HB3 H 1 2.798 0.001 . . . . . . A 131 ASP HB3 . 34695 1 1497 . 1 . 1 134 134 ASP C C 13 176.807 0.000 . . . . . . A 131 ASP C . 34695 1 1498 . 1 . 1 134 134 ASP CA C 13 54.993 0.049 . . . . . . A 131 ASP CA . 34695 1 1499 . 1 . 1 134 134 ASP CB C 13 41.253 0.091 . . . . . . A 131 ASP CB . 34695 1 1500 . 1 . 1 134 134 ASP N N 15 122.119 0.165 . . . . . . A 131 ASP N . 34695 1 1501 . 1 . 1 135 135 GLY H H 1 8.289 0.003 . . . . . . A 132 GLY H . 34695 1 1502 . 1 . 1 135 135 GLY HA2 H 1 4.001 0.000 . . . . . . A 132 GLY HA2 . 34695 1 1503 . 1 . 1 135 135 GLY HA3 H 1 4.001 0.000 . . . . . . A 132 GLY HA3 . 34695 1 1504 . 1 . 1 135 135 GLY C C 13 173.981 0.000 . . . . . . A 132 GLY C . 34695 1 1505 . 1 . 1 135 135 GLY CA C 13 45.636 0.025 . . . . . . A 132 GLY CA . 34695 1 1506 . 1 . 1 135 135 GLY N N 15 108.492 0.087 . . . . . . A 132 GLY N . 34695 1 1507 . 1 . 1 137 137 ILE HA H 1 4.712 0.018 . . . . . . A 134 ILE HA . 34695 1 1508 . 1 . 1 137 137 ILE HB H 1 2.194 0.014 . . . . . . A 134 ILE HB . 34695 1 1509 . 1 . 1 137 137 ILE HG12 H 1 1.303 0.011 . . . . . . A 134 ILE HG12 . 34695 1 1510 . 1 . 1 137 137 ILE HG13 H 1 1.668 0.007 . . . . . . A 134 ILE HG13 . 34695 1 1511 . 1 . 1 137 137 ILE HG21 H 1 0.773 0.003 . . . . . . A 134 ILE HG21 . 34695 1 1512 . 1 . 1 137 137 ILE HG22 H 1 0.773 0.003 . . . . . . A 134 ILE HG22 . 34695 1 1513 . 1 . 1 137 137 ILE HG23 H 1 0.773 0.003 . . . . . . A 134 ILE HG23 . 34695 1 1514 . 1 . 1 137 137 ILE HD11 H 1 0.659 0.003 . . . . . . A 134 ILE HD11 . 34695 1 1515 . 1 . 1 137 137 ILE HD12 H 1 0.659 0.003 . . . . . . A 134 ILE HD12 . 34695 1 1516 . 1 . 1 137 137 ILE HD13 H 1 0.659 0.003 . . . . . . A 134 ILE HD13 . 34695 1 1517 . 1 . 1 137 137 ILE C C 13 174.744 0.008 . . . . . . A 134 ILE C . 34695 1 1518 . 1 . 1 137 137 ILE CA C 13 58.042 0.082 . . . . . . A 134 ILE CA . 34695 1 1519 . 1 . 1 137 137 ILE CB C 13 37.282 0.118 . . . . . . A 134 ILE CB . 34695 1 1520 . 1 . 1 137 137 ILE CG1 C 13 25.119 0.087 . . . . . . A 134 ILE CG1 . 34695 1 1521 . 1 . 1 137 137 ILE CG2 C 13 18.192 0.022 . . . . . . A 134 ILE CG2 . 34695 1 1522 . 1 . 1 137 137 ILE CD1 C 13 9.718 0.102 . . . . . . A 134 ILE CD1 . 34695 1 1523 . 1 . 1 138 138 ALA H H 1 8.270 0.006 . . . . . . A 135 ALA H . 34695 1 1524 . 1 . 1 138 138 ALA HA H 1 3.590 0.013 . . . . . . A 135 ALA HA . 34695 1 1525 . 1 . 1 138 138 ALA HB1 H 1 0.386 0.008 . . . . . . A 135 ALA HB1 . 34695 1 1526 . 1 . 1 138 138 ALA HB2 H 1 0.386 0.008 . . . . . . A 135 ALA HB2 . 34695 1 1527 . 1 . 1 138 138 ALA HB3 H 1 0.386 0.008 . . . . . . A 135 ALA HB3 . 34695 1 1528 . 1 . 1 138 138 ALA C C 13 176.020 0.007 . . . . . . A 135 ALA C . 34695 1 1529 . 1 . 1 138 138 ALA CA C 13 50.443 0.018 . . . . . . A 135 ALA CA . 34695 1 1530 . 1 . 1 138 138 ALA CB C 13 20.769 0.067 . . . . . . A 135 ALA CB . 34695 1 1531 . 1 . 1 138 138 ALA N N 15 130.454 0.051 . . . . . . A 135 ALA N . 34695 1 1532 . 1 . 1 139 139 SER H H 1 7.769 0.007 . . . . . . A 136 SER H . 34695 1 1533 . 1 . 1 139 139 SER HA H 1 5.333 0.008 . . . . . . A 136 SER HA . 34695 1 1534 . 1 . 1 139 139 SER HB2 H 1 3.357 0.009 . . . . . . A 136 SER HB2 . 34695 1 1535 . 1 . 1 139 139 SER HB3 H 1 3.853 0.006 . . . . . . A 136 SER HB3 . 34695 1 1536 . 1 . 1 139 139 SER C C 13 173.144 0.004 . . . . . . A 136 SER C . 34695 1 1537 . 1 . 1 139 139 SER CA C 13 56.610 0.045 . . . . . . A 136 SER CA . 34695 1 1538 . 1 . 1 139 139 SER CB C 13 67.330 0.071 . . . . . . A 136 SER CB . 34695 1 1539 . 1 . 1 139 139 SER N N 15 112.645 0.424 . . . . . . A 136 SER N . 34695 1 1540 . 1 . 1 140 140 ASN H H 1 8.516 0.004 . . . . . . A 137 ASN H . 34695 1 1541 . 1 . 1 140 140 ASN HA H 1 4.412 0.005 . . . . . . A 137 ASN HA . 34695 1 1542 . 1 . 1 140 140 ASN HB2 H 1 2.991 0.000 . . . . . . A 137 ASN HB2 . 34695 1 1543 . 1 . 1 140 140 ASN HB3 H 1 2.905 0.000 . . . . . . A 137 ASN HB3 . 34695 1 1544 . 1 . 1 140 140 ASN HD21 H 1 7.756 0.003 . . . . . . A 137 ASN HD21 . 34695 1 1545 . 1 . 1 140 140 ASN HD22 H 1 7.155 0.005 . . . . . . A 137 ASN HD22 . 34695 1 1546 . 1 . 1 140 140 ASN C C 13 179.107 0.000 . . . . . . A 137 ASN C . 34695 1 1547 . 1 . 1 140 140 ASN CA C 13 54.825 0.040 . . . . . . A 137 ASN CA . 34695 1 1548 . 1 . 1 140 140 ASN CB C 13 40.281 0.061 . . . . . . A 137 ASN CB . 34695 1 1549 . 1 . 1 140 140 ASN CG C 13 177.373 0.001 . . . . . . A 137 ASN CG . 34695 1 1550 . 1 . 1 140 140 ASN N N 15 126.554 0.030 . . . . . . A 137 ASN N . 34695 1 1551 . 1 . 1 140 140 ASN ND2 N 15 111.585 0.064 . . . . . . A 137 ASN ND2 . 34695 1 stop_ save_