data_27162 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27162 _Entry.Title ; NMR resonance assignments of the EVH1-domain of Neurofibromin's recruitment factor Spred1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-26 _Entry.Accession_date 2017-06-26 _Entry.Last_release_date 2017-06-26 _Entry.Original_release_date 2017-06-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 Sebastian Fuehrer . . . . 27162 2 Linda Ahammer . . . . 27162 3 Angela Ausserbichler . . . . 27162 4 Klaus Scheffzek . . . . 27162 5 Theresia Dunzendorfer-Matt . . . . 27162 6 Martin Tollinger . . . . 27162 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27162 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 27162 '15N chemical shifts' 117 27162 '1H chemical shifts' 723 27162 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-02-01 2017-06-26 update BMRB 'update entry citation' 27162 1 . . 2017-09-29 2017-06-26 original author 'original release' 27162 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27162 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28831766 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the EVH1 domain of neurofibromin's recruitment factor Spred1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 305 _Citation.Page_last 308 _Citation.Year 2017 _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 Sebastian Fuehrer . . . . 27162 1 2 Linda Ahammer . . . . 27162 1 3 Angela Ausserbichler . . . . 27162 1 4 Klaus Scheffzek . . . . 27162 1 5 Theresia Dunzendorfer-Matt . . . . 27162 1 6 Martin Tollinger . . . . 27162 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Legius syndrome' 27162 1 Spred1-EVH1 27162 1 'recruitment factor' 27162 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27162 _Assembly.ID 1 _Assembly.Name Spred1-EVH1 _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 13500 _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 Spred1-EVH1 1 $Spred1-EVH1 A . yes native no no . . . 27162 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Spred1-EVH1 _Entity.Sf_category entity _Entity.Sf_framecode Spred1-EVH1 _Entity.Entry_ID 27162 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Spred1-EVH1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSYARVRAVVMTRDDSSGG WLPLGGSGLSSVTVFKVPHQ EENGCADFFIRGERLRDKMV VLECMLKKDLIYNKVTPTFH HWKIDDKKFGLTFQSPADAR AFDRGIRRAIEDISQGCPES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -1, M 0, G 13, S ; _Entity.Polymer_author_seq_details 'The first two residues, Met-Gly, are derived from the plasmid' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI NP_689807.1 . Spred1 . . . . . . . . . . . . . . 27162 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 MET . 27162 1 2 0 GLY . 27162 1 3 13 SER . 27162 1 4 14 TYR . 27162 1 5 15 ALA . 27162 1 6 16 ARG . 27162 1 7 17 VAL . 27162 1 8 18 ARG . 27162 1 9 19 ALA . 27162 1 10 20 VAL . 27162 1 11 21 VAL . 27162 1 12 22 MET . 27162 1 13 23 THR . 27162 1 14 24 ARG . 27162 1 15 25 ASP . 27162 1 16 26 ASP . 27162 1 17 27 SER . 27162 1 18 28 SER . 27162 1 19 29 GLY . 27162 1 20 30 GLY . 27162 1 21 31 TRP . 27162 1 22 32 LEU . 27162 1 23 33 PRO . 27162 1 24 34 LEU . 27162 1 25 35 GLY . 27162 1 26 36 GLY . 27162 1 27 37 SER . 27162 1 28 38 GLY . 27162 1 29 39 LEU . 27162 1 30 40 SER . 27162 1 31 41 SER . 27162 1 32 42 VAL . 27162 1 33 43 THR . 27162 1 34 44 VAL . 27162 1 35 45 PHE . 27162 1 36 46 LYS . 27162 1 37 47 VAL . 27162 1 38 48 PRO . 27162 1 39 49 HIS . 27162 1 40 50 GLN . 27162 1 41 51 GLU . 27162 1 42 52 GLU . 27162 1 43 53 ASN . 27162 1 44 54 GLY . 27162 1 45 55 CYS . 27162 1 46 56 ALA . 27162 1 47 57 ASP . 27162 1 48 58 PHE . 27162 1 49 59 PHE . 27162 1 50 60 ILE . 27162 1 51 61 ARG . 27162 1 52 62 GLY . 27162 1 53 63 GLU . 27162 1 54 64 ARG . 27162 1 55 65 LEU . 27162 1 56 66 ARG . 27162 1 57 67 ASP . 27162 1 58 68 LYS . 27162 1 59 69 MET . 27162 1 60 70 VAL . 27162 1 61 71 VAL . 27162 1 62 72 LEU . 27162 1 63 73 GLU . 27162 1 64 74 CYS . 27162 1 65 75 MET . 27162 1 66 76 LEU . 27162 1 67 77 LYS . 27162 1 68 78 LYS . 27162 1 69 79 ASP . 27162 1 70 80 LEU . 27162 1 71 81 ILE . 27162 1 72 82 TYR . 27162 1 73 83 ASN . 27162 1 74 84 LYS . 27162 1 75 85 VAL . 27162 1 76 86 THR . 27162 1 77 87 PRO . 27162 1 78 88 THR . 27162 1 79 89 PHE . 27162 1 80 90 HIS . 27162 1 81 91 HIS . 27162 1 82 92 TRP . 27162 1 83 93 LYS . 27162 1 84 94 ILE . 27162 1 85 95 ASP . 27162 1 86 96 ASP . 27162 1 87 97 LYS . 27162 1 88 98 LYS . 27162 1 89 99 PHE . 27162 1 90 100 GLY . 27162 1 91 101 LEU . 27162 1 92 102 THR . 27162 1 93 103 PHE . 27162 1 94 104 GLN . 27162 1 95 105 SER . 27162 1 96 106 PRO . 27162 1 97 107 ALA . 27162 1 98 108 ASP . 27162 1 99 109 ALA . 27162 1 100 110 ARG . 27162 1 101 111 ALA . 27162 1 102 112 PHE . 27162 1 103 113 ASP . 27162 1 104 114 ARG . 27162 1 105 115 GLY . 27162 1 106 116 ILE . 27162 1 107 117 ARG . 27162 1 108 118 ARG . 27162 1 109 119 ALA . 27162 1 110 120 ILE . 27162 1 111 121 GLU . 27162 1 112 122 ASP . 27162 1 113 123 ILE . 27162 1 114 124 SER . 27162 1 115 125 GLN . 27162 1 116 126 GLY . 27162 1 117 127 CYS . 27162 1 118 128 PRO . 27162 1 119 129 GLU . 27162 1 120 130 SER . 27162 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27162 1 . GLY 2 2 27162 1 . SER 3 3 27162 1 . TYR 4 4 27162 1 . ALA 5 5 27162 1 . ARG 6 6 27162 1 . VAL 7 7 27162 1 . ARG 8 8 27162 1 . ALA 9 9 27162 1 . VAL 10 10 27162 1 . VAL 11 11 27162 1 . MET 12 12 27162 1 . THR 13 13 27162 1 . ARG 14 14 27162 1 . ASP 15 15 27162 1 . ASP 16 16 27162 1 . SER 17 17 27162 1 . SER 18 18 27162 1 . GLY 19 19 27162 1 . GLY 20 20 27162 1 . TRP 21 21 27162 1 . LEU 22 22 27162 1 . PRO 23 23 27162 1 . LEU 24 24 27162 1 . GLY 25 25 27162 1 . GLY 26 26 27162 1 . SER 27 27 27162 1 . GLY 28 28 27162 1 . LEU 29 29 27162 1 . SER 30 30 27162 1 . SER 31 31 27162 1 . VAL 32 32 27162 1 . THR 33 33 27162 1 . VAL 34 34 27162 1 . PHE 35 35 27162 1 . LYS 36 36 27162 1 . VAL 37 37 27162 1 . PRO 38 38 27162 1 . HIS 39 39 27162 1 . GLN 40 40 27162 1 . GLU 41 41 27162 1 . GLU 42 42 27162 1 . ASN 43 43 27162 1 . GLY 44 44 27162 1 . CYS 45 45 27162 1 . ALA 46 46 27162 1 . ASP 47 47 27162 1 . PHE 48 48 27162 1 . PHE 49 49 27162 1 . ILE 50 50 27162 1 . ARG 51 51 27162 1 . GLY 52 52 27162 1 . GLU 53 53 27162 1 . ARG 54 54 27162 1 . LEU 55 55 27162 1 . ARG 56 56 27162 1 . ASP 57 57 27162 1 . LYS 58 58 27162 1 . MET 59 59 27162 1 . VAL 60 60 27162 1 . VAL 61 61 27162 1 . LEU 62 62 27162 1 . GLU 63 63 27162 1 . CYS 64 64 27162 1 . MET 65 65 27162 1 . LEU 66 66 27162 1 . LYS 67 67 27162 1 . LYS 68 68 27162 1 . ASP 69 69 27162 1 . LEU 70 70 27162 1 . ILE 71 71 27162 1 . TYR 72 72 27162 1 . ASN 73 73 27162 1 . LYS 74 74 27162 1 . VAL 75 75 27162 1 . THR 76 76 27162 1 . PRO 77 77 27162 1 . THR 78 78 27162 1 . PHE 79 79 27162 1 . HIS 80 80 27162 1 . HIS 81 81 27162 1 . TRP 82 82 27162 1 . LYS 83 83 27162 1 . ILE 84 84 27162 1 . ASP 85 85 27162 1 . ASP 86 86 27162 1 . LYS 87 87 27162 1 . LYS 88 88 27162 1 . PHE 89 89 27162 1 . GLY 90 90 27162 1 . LEU 91 91 27162 1 . THR 92 92 27162 1 . PHE 93 93 27162 1 . GLN 94 94 27162 1 . SER 95 95 27162 1 . PRO 96 96 27162 1 . ALA 97 97 27162 1 . ASP 98 98 27162 1 . ALA 99 99 27162 1 . ARG 100 100 27162 1 . ALA 101 101 27162 1 . PHE 102 102 27162 1 . ASP 103 103 27162 1 . ARG 104 104 27162 1 . GLY 105 105 27162 1 . ILE 106 106 27162 1 . ARG 107 107 27162 1 . ARG 108 108 27162 1 . ALA 109 109 27162 1 . ILE 110 110 27162 1 . GLU 111 111 27162 1 . ASP 112 112 27162 1 . ILE 113 113 27162 1 . SER 114 114 27162 1 . GLN 115 115 27162 1 . GLY 116 116 27162 1 . CYS 117 117 27162 1 . PRO 118 118 27162 1 . GLU 119 119 27162 1 . SER 120 120 27162 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 27162 _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 $Spred1-EVH1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27162 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 27162 _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 $Spred1-EVH1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Escherichia coli BL21 Star (DE3)' . . . . . pET21d . . . 27162 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27162 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Spred1-EVH1 '[U-99% 13C; U-99% 15N]' . . 1 $Spred1-EVH1 . . 0.6-0.8 . . mM . . . . 27162 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27162 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27162 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 27162 _Sample_condition_list.ID 1 _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' 70 . mM 27162 1 pH 6.5 . pH 27162 1 pressure 1 . atm 27162 1 temperature 298 . K 27162 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27162 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27162 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27162 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27162 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27162 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Agilent DD2 . 500 . . . 27162 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 27162 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27162 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27162 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27162 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27162 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27162 1 6 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27162 1 7 '3D H(CC)(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27162 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27162 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27162 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27162 _Chem_shift_reference.ID 1 _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 0.00 na indirect 0.251449530 . . . . . 27162 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000 . . . . . 27162 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27162 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27162 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27162 1 2 '2D 1H-13C HSQC' . . . 27162 1 3 '3D HNCO' . . . 27162 1 4 '3D HNCACB' . . . 27162 1 5 '3D CBCA(CO)NH' . . . 27162 1 6 '3D (H)CC(CO)NH-TOCSY' . . . 27162 1 7 '3D H(CC)(CO)NH-TOCSY' . . . 27162 1 8 '3D 1H-15N NOESY' . . . 27162 1 9 '3D 1H-13C NOESY' . . . 27162 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 3 3 SER HA H 1 4.886 0.05 . 1 . . . . . 13 SER HA . 27162 1 2 . 1 1 3 3 SER HB2 H 1 3.975 0.05 . 1 . . . . . 13 SER HB2 . 27162 1 3 . 1 1 3 3 SER HB3 H 1 3.975 0.05 . 1 . . . . . 13 SER HB3 . 27162 1 4 . 1 1 3 3 SER C C 13 174.724 0.1 . 1 . . . . . 13 SER C . 27162 1 5 . 1 1 3 3 SER CA C 13 58.391 0.15 . 1 . . . . . 13 SER CA . 27162 1 6 . 1 1 3 3 SER CB C 13 64.365 0.15 . 1 . . . . . 13 SER CB . 27162 1 7 . 1 1 4 4 TYR H H 1 9.304 0.01 . 1 . . . . . 14 TYR H . 27162 1 8 . 1 1 4 4 TYR HA H 1 4.456 0.05 . 1 . . . . . 14 TYR HA . 27162 1 9 . 1 1 4 4 TYR HB2 H 1 2.572 0.05 . 2 . . . . . 14 TYR HB2 . 27162 1 10 . 1 1 4 4 TYR HB3 H 1 2.945 0.05 . 2 . . . . . 14 TYR HB3 . 27162 1 11 . 1 1 4 4 TYR C C 13 176.351 0.1 . 1 . . . . . 14 TYR C . 27162 1 12 . 1 1 4 4 TYR CA C 13 58.801 0.15 . 1 . . . . . 14 TYR CA . 27162 1 13 . 1 1 4 4 TYR CB C 13 39.064 0.15 . 1 . . . . . 14 TYR CB . 27162 1 14 . 1 1 4 4 TYR N N 15 122.816 0.05 . 1 . . . . . 14 TYR N . 27162 1 15 . 1 1 5 5 ALA H H 1 7.626 0.01 . 1 . . . . . 15 ALA H . 27162 1 16 . 1 1 5 5 ALA HA H 1 4.479 0.05 . 1 . . . . . 15 ALA HA . 27162 1 17 . 1 1 5 5 ALA HB1 H 1 1.321 0.05 . 1 . . . . . 15 ALA MB . 27162 1 18 . 1 1 5 5 ALA HB2 H 1 1.321 0.05 . 1 . . . . . 15 ALA MB . 27162 1 19 . 1 1 5 5 ALA HB3 H 1 1.321 0.05 . 1 . . . . . 15 ALA MB . 27162 1 20 . 1 1 5 5 ALA C C 13 175.436 0.1 . 1 . . . . . 15 ALA C . 27162 1 21 . 1 1 5 5 ALA CA C 13 52.476 0.15 . 1 . . . . . 15 ALA CA . 27162 1 22 . 1 1 5 5 ALA CB C 13 22.760 0.15 . 1 . . . . . 15 ALA CB . 27162 1 23 . 1 1 5 5 ALA N N 15 117.393 0.05 . 1 . . . . . 15 ALA N . 27162 1 24 . 1 1 6 6 ARG H H 1 8.720 0.01 . 1 . . . . . 16 ARG H . 27162 1 25 . 1 1 6 6 ARG HA H 1 5.437 0.05 . 1 . . . . . 16 ARG HA . 27162 1 26 . 1 1 6 6 ARG HB2 H 1 1.821 0.05 . 1 . . . . . 16 ARG HB2 . 27162 1 27 . 1 1 6 6 ARG HB3 H 1 1.821 0.05 . 1 . . . . . 16 ARG HB3 . 27162 1 28 . 1 1 6 6 ARG HG2 H 1 1.495 0.05 . 1 . . . . . 16 ARG HG2 . 27162 1 29 . 1 1 6 6 ARG HG3 H 1 1.495 0.05 . 1 . . . . . 16 ARG HG3 . 27162 1 30 . 1 1 6 6 ARG HD2 H 1 3.139 0.05 . 1 . . . . . 16 ARG HD2 . 27162 1 31 . 1 1 6 6 ARG HD3 H 1 3.139 0.05 . 1 . . . . . 16 ARG HD3 . 27162 1 32 . 1 1 6 6 ARG C C 13 174.892 0.1 . 1 . . . . . 16 ARG C . 27162 1 33 . 1 1 6 6 ARG CA C 13 56.712 0.15 . 1 . . . . . 16 ARG CA . 27162 1 34 . 1 1 6 6 ARG CB C 13 32.339 0.15 . 1 . . . . . 16 ARG CB . 27162 1 35 . 1 1 6 6 ARG CG C 13 26.890 0.2 . 1 . . . . . 16 ARG CG . 27162 1 36 . 1 1 6 6 ARG CD C 13 43.634 0.2 . 1 . . . . . 16 ARG CD . 27162 1 37 . 1 1 6 6 ARG N N 15 121.946 0.05 . 1 . . . . . 16 ARG N . 27162 1 38 . 1 1 7 7 VAL H H 1 9.158 0.01 . 1 . . . . . 17 VAL H . 27162 1 39 . 1 1 7 7 VAL HA H 1 4.994 0.05 . 1 . . . . . 17 VAL HA . 27162 1 40 . 1 1 7 7 VAL HB H 1 2.475 0.05 . 1 . . . . . 17 VAL HB . 27162 1 41 . 1 1 7 7 VAL HG11 H 1 1.191 0.05 . 2 . . . . . 17 VAL MG1 . 27162 1 42 . 1 1 7 7 VAL HG12 H 1 1.191 0.05 . 2 . . . . . 17 VAL MG1 . 27162 1 43 . 1 1 7 7 VAL HG13 H 1 1.191 0.05 . 2 . . . . . 17 VAL MG1 . 27162 1 44 . 1 1 7 7 VAL HG21 H 1 0.927 0.05 . 2 . . . . . 17 VAL MG2 . 27162 1 45 . 1 1 7 7 VAL HG22 H 1 0.927 0.05 . 2 . . . . . 17 VAL MG2 . 27162 1 46 . 1 1 7 7 VAL HG23 H 1 0.927 0.05 . 2 . . . . . 17 VAL MG2 . 27162 1 47 . 1 1 7 7 VAL C C 13 174.355 0.1 . 1 . . . . . 17 VAL C . 27162 1 48 . 1 1 7 7 VAL CA C 13 58.927 0.15 . 1 . . . . . 17 VAL CA . 27162 1 49 . 1 1 7 7 VAL CB C 13 36.618 0.15 . 1 . . . . . 17 VAL CB . 27162 1 50 . 1 1 7 7 VAL CG1 C 13 21.943 0.2 . 2 . . . . . 17 VAL CG1 . 27162 1 51 . 1 1 7 7 VAL CG2 C 13 19.183 0.2 . 2 . . . . . 17 VAL CG2 . 27162 1 52 . 1 1 7 7 VAL N N 15 118.818 0.05 . 1 . . . . . 17 VAL N . 27162 1 53 . 1 1 8 8 ARG H H 1 8.847 0.01 . 1 . . . . . 18 ARG H . 27162 1 54 . 1 1 8 8 ARG HA H 1 5.644 0.05 . 1 . . . . . 18 ARG HA . 27162 1 55 . 1 1 8 8 ARG HB2 H 1 1.842 0.05 . 1 . . . . . 18 ARG HB2 . 27162 1 56 . 1 1 8 8 ARG HB3 H 1 1.842 0.05 . 1 . . . . . 18 ARG HB3 . 27162 1 57 . 1 1 8 8 ARG HG2 H 1 1.593 0.05 . 1 . . . . . 18 ARG HG2 . 27162 1 58 . 1 1 8 8 ARG HG3 H 1 1.593 0.05 . 1 . . . . . 18 ARG HG3 . 27162 1 59 . 1 1 8 8 ARG HD2 H 1 3.215 0.05 . 1 . . . . . 18 ARG HD2 . 27162 1 60 . 1 1 8 8 ARG HD3 H 1 3.215 0.05 . 1 . . . . . 18 ARG HD3 . 27162 1 61 . 1 1 8 8 ARG C C 13 175.491 0.1 . 1 . . . . . 18 ARG C . 27162 1 62 . 1 1 8 8 ARG CA C 13 54.906 0.15 . 1 . . . . . 18 ARG CA . 27162 1 63 . 1 1 8 8 ARG CB C 13 31.411 0.15 . 1 . . . . . 18 ARG CB . 27162 1 64 . 1 1 8 8 ARG CG C 13 27.853 0.2 . 1 . . . . . 18 ARG CG . 27162 1 65 . 1 1 8 8 ARG CD C 13 43.867 0.2 . 1 . . . . . 18 ARG CD . 27162 1 66 . 1 1 8 8 ARG N N 15 121.254 0.05 . 1 . . . . . 18 ARG N . 27162 1 67 . 1 1 9 9 ALA H H 1 9.159 0.01 . 1 . . . . . 19 ALA H . 27162 1 68 . 1 1 9 9 ALA HA H 1 4.674 0.05 . 1 . . . . . 19 ALA HA . 27162 1 69 . 1 1 9 9 ALA HB1 H 1 0.868 0.05 . 1 . . . . . 19 ALA MB . 27162 1 70 . 1 1 9 9 ALA HB2 H 1 0.868 0.05 . 1 . . . . . 19 ALA MB . 27162 1 71 . 1 1 9 9 ALA HB3 H 1 0.868 0.05 . 1 . . . . . 19 ALA MB . 27162 1 72 . 1 1 9 9 ALA C C 13 174.814 0.1 . 1 . . . . . 19 ALA C . 27162 1 73 . 1 1 9 9 ALA CA C 13 51.123 0.15 . 1 . . . . . 19 ALA CA . 27162 1 74 . 1 1 9 9 ALA CB C 13 24.045 0.15 . 1 . . . . . 19 ALA CB . 27162 1 75 . 1 1 9 9 ALA N N 15 124.929 0.05 . 1 . . . . . 19 ALA N . 27162 1 76 . 1 1 10 10 VAL H H 1 8.454 0.01 . 1 . . . . . 20 VAL H . 27162 1 77 . 1 1 10 10 VAL HA H 1 4.347 0.05 . 1 . . . . . 20 VAL HA . 27162 1 78 . 1 1 10 10 VAL HB H 1 1.952 0.05 . 1 . . . . . 20 VAL HB . 27162 1 79 . 1 1 10 10 VAL HG11 H 1 0.975 0.05 . 2 . . . . . 20 VAL MG1 . 27162 1 80 . 1 1 10 10 VAL HG12 H 1 0.975 0.05 . 2 . . . . . 20 VAL MG1 . 27162 1 81 . 1 1 10 10 VAL HG13 H 1 0.975 0.05 . 2 . . . . . 20 VAL MG1 . 27162 1 82 . 1 1 10 10 VAL HG21 H 1 0.929 0.05 . 2 . . . . . 20 VAL MG2 . 27162 1 83 . 1 1 10 10 VAL HG22 H 1 0.929 0.05 . 2 . . . . . 20 VAL MG2 . 27162 1 84 . 1 1 10 10 VAL HG23 H 1 0.929 0.05 . 2 . . . . . 20 VAL MG2 . 27162 1 85 . 1 1 10 10 VAL C C 13 175.930 0.1 . 1 . . . . . 20 VAL C . 27162 1 86 . 1 1 10 10 VAL CA C 13 61.939 0.15 . 1 . . . . . 20 VAL CA . 27162 1 87 . 1 1 10 10 VAL CB C 13 33.620 0.15 . 1 . . . . . 20 VAL CB . 27162 1 88 . 1 1 10 10 VAL CG1 C 13 21.438 0.2 . 2 . . . . . 20 VAL CG1 . 27162 1 89 . 1 1 10 10 VAL CG2 C 13 21.467 0.2 . 2 . . . . . 20 VAL CG2 . 27162 1 90 . 1 1 10 10 VAL N N 15 120.584 0.05 . 1 . . . . . 20 VAL N . 27162 1 91 . 1 1 11 11 VAL H H 1 8.443 0.01 . 1 . . . . . 21 VAL H . 27162 1 92 . 1 1 11 11 VAL HA H 1 4.226 0.05 . 1 . . . . . 21 VAL HA . 27162 1 93 . 1 1 11 11 VAL HB H 1 2.061 0.05 . 1 . . . . . 21 VAL HB . 27162 1 94 . 1 1 11 11 VAL HG11 H 1 1.143 0.05 . 2 . . . . . 21 VAL MG1 . 27162 1 95 . 1 1 11 11 VAL HG12 H 1 1.143 0.05 . 2 . . . . . 21 VAL MG1 . 27162 1 96 . 1 1 11 11 VAL HG13 H 1 1.143 0.05 . 2 . . . . . 21 VAL MG1 . 27162 1 97 . 1 1 11 11 VAL HG21 H 1 0.845 0.05 . 2 . . . . . 21 VAL MG2 . 27162 1 98 . 1 1 11 11 VAL HG22 H 1 0.845 0.05 . 2 . . . . . 21 VAL MG2 . 27162 1 99 . 1 1 11 11 VAL HG23 H 1 0.845 0.05 . 2 . . . . . 21 VAL MG2 . 27162 1 100 . 1 1 11 11 VAL C C 13 175.178 0.1 . 1 . . . . . 21 VAL C . 27162 1 101 . 1 1 11 11 VAL CA C 13 63.349 0.15 . 1 . . . . . 21 VAL CA . 27162 1 102 . 1 1 11 11 VAL CB C 13 31.704 0.15 . 1 . . . . . 21 VAL CB . 27162 1 103 . 1 1 11 11 VAL CG1 C 13 23.044 0.2 . 2 . . . . . 21 VAL CG1 . 27162 1 104 . 1 1 11 11 VAL CG2 C 13 21.350 0.2 . 2 . . . . . 21 VAL CG2 . 27162 1 105 . 1 1 11 11 VAL N N 15 127.836 0.05 . 1 . . . . . 21 VAL N . 27162 1 106 . 1 1 12 12 MET H H 1 8.982 0.01 . 1 . . . . . 22 MET H . 27162 1 107 . 1 1 12 12 MET HA H 1 5.490 0.05 . 1 . . . . . 22 MET HA . 27162 1 108 . 1 1 12 12 MET HB2 H 1 2.388 0.05 . 1 . . . . . 22 MET HB2 . 27162 1 109 . 1 1 12 12 MET HB3 H 1 2.388 0.05 . 1 . . . . . 22 MET HB3 . 27162 1 110 . 1 1 12 12 MET HG2 H 1 2.547 0.05 . 1 . . . . . 22 MET HG2 . 27162 1 111 . 1 1 12 12 MET HG3 H 1 2.547 0.05 . 1 . . . . . 22 MET HG3 . 27162 1 112 . 1 1 12 12 MET C C 13 175.348 0.1 . 1 . . . . . 22 MET C . 27162 1 113 . 1 1 12 12 MET CA C 13 52.925 0.15 . 1 . . . . . 22 MET CA . 27162 1 114 . 1 1 12 12 MET CB C 13 35.299 0.15 . 1 . . . . . 22 MET CB . 27162 1 115 . 1 1 12 12 MET CG C 13 32.051 0.2 . 1 . . . . . 22 MET CG . 27162 1 116 . 1 1 12 12 MET N N 15 125.703 0.05 . 1 . . . . . 22 MET N . 27162 1 117 . 1 1 13 13 THR H H 1 9.588 0.01 . 1 . . . . . 23 THR H . 27162 1 118 . 1 1 13 13 THR HA H 1 5.010 0.05 . 1 . . . . . 23 THR HA . 27162 1 119 . 1 1 13 13 THR HB H 1 4.122 0.05 . 1 . . . . . 23 THR HB . 27162 1 120 . 1 1 13 13 THR HG21 H 1 1.160 0.05 . 1 . . . . . 23 THR MG . 27162 1 121 . 1 1 13 13 THR HG22 H 1 1.160 0.05 . 1 . . . . . 23 THR MG . 27162 1 122 . 1 1 13 13 THR HG23 H 1 1.160 0.05 . 1 . . . . . 23 THR MG . 27162 1 123 . 1 1 13 13 THR C C 13 171.364 0.1 . 1 . . . . . 23 THR C . 27162 1 124 . 1 1 13 13 THR CA C 13 59.657 0.15 . 1 . . . . . 23 THR CA . 27162 1 125 . 1 1 13 13 THR CB C 13 71.359 0.15 . 1 . . . . . 23 THR CB . 27162 1 126 . 1 1 13 13 THR CG2 C 13 19.733 0.2 . 1 . . . . . 23 THR CG2 . 27162 1 127 . 1 1 13 13 THR N N 15 114.935 0.05 . 1 . . . . . 23 THR N . 27162 1 128 . 1 1 14 14 ARG H H 1 7.667 0.01 . 1 . . . . . 24 ARG H . 27162 1 129 . 1 1 14 14 ARG HA H 1 3.741 0.05 . 1 . . . . . 24 ARG HA . 27162 1 130 . 1 1 14 14 ARG HB2 H 1 0.944 0.05 . 1 . . . . . 24 ARG HB2 . 27162 1 131 . 1 1 14 14 ARG HB3 H 1 0.944 0.05 . 1 . . . . . 24 ARG HB3 . 27162 1 132 . 1 1 14 14 ARG C C 13 175.253 0.1 . 1 . . . . . 24 ARG C . 27162 1 133 . 1 1 14 14 ARG CA C 13 55.019 0.15 . 1 . . . . . 24 ARG CA . 27162 1 134 . 1 1 14 14 ARG CB C 13 30.567 0.15 . 1 . . . . . 24 ARG CB . 27162 1 135 . 1 1 14 14 ARG CG C 13 26.547 0.2 . 1 . . . . . 24 ARG CG . 27162 1 136 . 1 1 14 14 ARG CD C 13 42.479 0.2 . 1 . . . . . 24 ARG CD . 27162 1 137 . 1 1 14 14 ARG N N 15 126.143 0.05 . 1 . . . . . 24 ARG N . 27162 1 138 . 1 1 15 15 ASP H H 1 8.490 0.01 . 1 . . . . . 25 ASP H . 27162 1 139 . 1 1 15 15 ASP HA H 1 4.574 0.05 . 1 . . . . . 25 ASP HA . 27162 1 140 . 1 1 15 15 ASP HB2 H 1 2.644 0.05 . 2 . . . . . 25 ASP HB2 . 27162 1 141 . 1 1 15 15 ASP HB3 H 1 2.378 0.05 . 2 . . . . . 25 ASP HB3 . 27162 1 142 . 1 1 15 15 ASP C C 13 176.142 0.1 . 1 . . . . . 25 ASP C . 27162 1 143 . 1 1 15 15 ASP CA C 13 52.889 0.15 . 1 . . . . . 25 ASP CA . 27162 1 144 . 1 1 15 15 ASP CB C 13 42.045 0.15 . 1 . . . . . 25 ASP CB . 27162 1 145 . 1 1 15 15 ASP N N 15 126.298 0.05 . 1 . . . . . 25 ASP N . 27162 1 146 . 1 1 16 16 ASP H H 1 8.685 0.01 . 1 . . . . . 26 ASP H . 27162 1 147 . 1 1 16 16 ASP HA H 1 4.788 0.05 . 1 . . . . . 26 ASP HA . 27162 1 148 . 1 1 16 16 ASP HB2 H 1 2.589 0.05 . 1 . . . . . 26 ASP HB2 . 27162 1 149 . 1 1 16 16 ASP HB3 H 1 2.589 0.05 . 1 . . . . . 26 ASP HB3 . 27162 1 150 . 1 1 16 16 ASP C C 13 177.487 0.1 . 1 . . . . . 26 ASP C . 27162 1 151 . 1 1 16 16 ASP CA C 13 56.665 0.15 . 1 . . . . . 26 ASP CA . 27162 1 152 . 1 1 16 16 ASP CB C 13 40.966 0.15 . 1 . . . . . 26 ASP CB . 27162 1 153 . 1 1 16 16 ASP N N 15 125.132 0.05 . 1 . . . . . 26 ASP N . 27162 1 154 . 1 1 17 17 SER H H 1 8.375 0.01 . 1 . . . . . 27 SER H . 27162 1 155 . 1 1 17 17 SER HA H 1 4.783 0.05 . 1 . . . . . 27 SER HA . 27162 1 156 . 1 1 17 17 SER HB2 H 1 3.932 0.05 . 2 . . . . . 27 SER HB2 . 27162 1 157 . 1 1 17 17 SER HB3 H 1 4.302 0.05 . 2 . . . . . 27 SER HB3 . 27162 1 158 . 1 1 17 17 SER C C 13 175.298 0.1 . 1 . . . . . 27 SER C . 27162 1 159 . 1 1 17 17 SER CA C 13 60.461 0.15 . 1 . . . . . 27 SER CA . 27162 1 160 . 1 1 17 17 SER CB C 13 62.996 0.15 . 1 . . . . . 27 SER CB . 27162 1 161 . 1 1 17 17 SER N N 15 114.724 0.05 . 1 . . . . . 27 SER N . 27162 1 162 . 1 1 18 18 SER H H 1 7.785 0.01 . 1 . . . . . 28 SER H . 27162 1 163 . 1 1 18 18 SER HA H 1 4.499 0.05 . 1 . . . . . 28 SER HA . 27162 1 164 . 1 1 18 18 SER HB2 H 1 3.862 0.05 . 1 . . . . . 28 SER HB2 . 27162 1 165 . 1 1 18 18 SER HB3 H 1 3.862 0.05 . 1 . . . . . 28 SER HB3 . 27162 1 166 . 1 1 18 18 SER C C 13 175.784 0.1 . 1 . . . . . 28 SER C . 27162 1 167 . 1 1 18 18 SER CA C 13 58.648 0.15 . 1 . . . . . 28 SER CA . 27162 1 168 . 1 1 18 18 SER CB C 13 65.053 0.15 . 1 . . . . . 28 SER CB . 27162 1 169 . 1 1 18 18 SER N N 15 114.492 0.05 . 1 . . . . . 28 SER N . 27162 1 170 . 1 1 19 19 GLY H H 1 8.181 0.01 . 1 . . . . . 29 GLY H . 27162 1 171 . 1 1 19 19 GLY HA2 H 1 4.071 0.05 . 2 . . . . . 29 GLY HA2 . 27162 1 172 . 1 1 19 19 GLY HA3 H 1 3.584 0.05 . 2 . . . . . 29 GLY HA3 . 27162 1 173 . 1 1 19 19 GLY C C 13 173.838 0.1 . 1 . . . . . 29 GLY C . 27162 1 174 . 1 1 19 19 GLY CA C 13 45.687 0.15 . 1 . . . . . 29 GLY CA . 27162 1 175 . 1 1 19 19 GLY N N 15 111.683 0.05 . 1 . . . . . 29 GLY N . 27162 1 176 . 1 1 20 20 GLY H H 1 7.888 0.01 . 1 . . . . . 30 GLY H . 27162 1 177 . 1 1 20 20 GLY HA2 H 1 4.120 0.05 . 2 . . . . . 30 GLY HA2 . 27162 1 178 . 1 1 20 20 GLY HA3 H 1 3.696 0.05 . 2 . . . . . 30 GLY HA3 . 27162 1 179 . 1 1 20 20 GLY C C 13 171.957 0.1 . 1 . . . . . 30 GLY C . 27162 1 180 . 1 1 20 20 GLY CA C 13 44.364 0.15 . 1 . . . . . 30 GLY CA . 27162 1 181 . 1 1 20 20 GLY N N 15 107.564 0.05 . 1 . . . . . 30 GLY N . 27162 1 182 . 1 1 21 21 TRP H H 1 8.390 0.01 . 1 . . . . . 31 TRP H . 27162 1 183 . 1 1 21 21 TRP HA H 1 4.915 0.05 . 1 . . . . . 31 TRP HA . 27162 1 184 . 1 1 21 21 TRP HB2 H 1 2.713 0.05 . 1 . . . . . 31 TRP HB2 . 27162 1 185 . 1 1 21 21 TRP HB3 H 1 2.713 0.05 . 1 . . . . . 31 TRP HB3 . 27162 1 186 . 1 1 21 21 TRP C C 13 175.914 0.1 . 1 . . . . . 31 TRP C . 27162 1 187 . 1 1 21 21 TRP CA C 13 56.531 0.15 . 1 . . . . . 31 TRP CA . 27162 1 188 . 1 1 21 21 TRP CB C 13 31.018 0.15 . 1 . . . . . 31 TRP CB . 27162 1 189 . 1 1 21 21 TRP N N 15 120.619 0.05 . 1 . . . . . 31 TRP N . 27162 1 190 . 1 1 22 22 LEU H H 1 9.356 0.01 . 1 . . . . . 32 LEU H . 27162 1 191 . 1 1 22 22 LEU HA H 1 4.929 0.05 . 1 . . . . . 32 LEU HA . 27162 1 192 . 1 1 22 22 LEU HB2 H 1 1.542 0.05 . 1 . . . . . 32 LEU HB2 . 27162 1 193 . 1 1 22 22 LEU HB3 H 1 1.542 0.05 . 1 . . . . . 32 LEU HB3 . 27162 1 194 . 1 1 22 22 LEU CA C 13 52.538 0.15 . 1 . . . . . 32 LEU CA . 27162 1 195 . 1 1 22 22 LEU CB C 13 44.462 0.15 . 1 . . . . . 32 LEU CB . 27162 1 196 . 1 1 22 22 LEU N N 15 124.126 0.05 . 1 . . . . . 32 LEU N . 27162 1 197 . 1 1 23 23 PRO HA H 1 4.635 0.05 . 1 . . . . . 33 PRO HA . 27162 1 198 . 1 1 23 23 PRO HB2 H 1 2.129 0.05 . 1 . . . . . 33 PRO HB2 . 27162 1 199 . 1 1 23 23 PRO HB3 H 1 2.129 0.05 . 1 . . . . . 33 PRO HB3 . 27162 1 200 . 1 1 23 23 PRO HG2 H 1 1.818 0.05 . 1 . . . . . 33 PRO HG2 . 27162 1 201 . 1 1 23 23 PRO HG3 H 1 1.818 0.05 . 1 . . . . . 33 PRO HG3 . 27162 1 202 . 1 1 23 23 PRO C C 13 177.388 0.1 . 1 . . . . . 33 PRO C . 27162 1 203 . 1 1 23 23 PRO CA C 13 62.977 0.15 . 1 . . . . . 33 PRO CA . 27162 1 204 . 1 1 23 23 PRO CB C 13 31.814 0.15 . 1 . . . . . 33 PRO CB . 27162 1 205 . 1 1 23 23 PRO CG C 13 26.349 0.2 . 1 . . . . . 33 PRO CG . 27162 1 206 . 1 1 23 23 PRO CD C 13 50.453 0.2 . 1 . . . . . 33 PRO CD . 27162 1 207 . 1 1 24 24 LEU H H 1 8.817 0.01 . 1 . . . . . 34 LEU H . 27162 1 208 . 1 1 24 24 LEU HA H 1 4.308 0.05 . 1 . . . . . 34 LEU HA . 27162 1 209 . 1 1 24 24 LEU HB2 H 1 1.692 0.05 . 1 . . . . . 34 LEU HB2 . 27162 1 210 . 1 1 24 24 LEU HB3 H 1 1.692 0.05 . 1 . . . . . 34 LEU HB3 . 27162 1 211 . 1 1 24 24 LEU HG H 1 1.306 0.05 . 1 . . . . . 34 LEU HG . 27162 1 212 . 1 1 24 24 LEU HD11 H 1 1.064 0.05 . 2 . . . . . 34 LEU MD1 . 27162 1 213 . 1 1 24 24 LEU HD12 H 1 1.064 0.05 . 2 . . . . . 34 LEU MD1 . 27162 1 214 . 1 1 24 24 LEU HD13 H 1 1.064 0.05 . 2 . . . . . 34 LEU MD1 . 27162 1 215 . 1 1 24 24 LEU HD21 H 1 1.036 0.05 . 2 . . . . . 34 LEU MD2 . 27162 1 216 . 1 1 24 24 LEU HD22 H 1 1.036 0.05 . 2 . . . . . 34 LEU MD2 . 27162 1 217 . 1 1 24 24 LEU HD23 H 1 1.036 0.05 . 2 . . . . . 34 LEU MD2 . 27162 1 218 . 1 1 24 24 LEU C C 13 177.323 0.1 . 1 . . . . . 34 LEU C . 27162 1 219 . 1 1 24 24 LEU CA C 13 55.923 0.15 . 1 . . . . . 34 LEU CA . 27162 1 220 . 1 1 24 24 LEU CB C 13 42.928 0.15 . 1 . . . . . 34 LEU CB . 27162 1 221 . 1 1 24 24 LEU CG C 13 27.177 0.2 . 1 . . . . . 34 LEU CG . 27162 1 222 . 1 1 24 24 LEU CD1 C 13 24.250 0.2 . 2 . . . . . 34 LEU CD1 . 27162 1 223 . 1 1 24 24 LEU CD2 C 13 25.751 0.2 . 2 . . . . . 34 LEU CD2 . 27162 1 224 . 1 1 24 24 LEU N N 15 127.864 0.05 . 1 . . . . . 34 LEU N . 27162 1 225 . 1 1 25 25 GLY H H 1 9.074 0.01 . 1 . . . . . 35 GLY H . 27162 1 226 . 1 1 25 25 GLY HA2 H 1 3.901 0.05 . 1 . . . . . 35 GLY HA2 . 27162 1 227 . 1 1 25 25 GLY HA3 H 1 3.901 0.05 . 1 . . . . . 35 GLY HA3 . 27162 1 228 . 1 1 25 25 GLY C C 13 174.919 0.1 . 1 . . . . . 35 GLY C . 27162 1 229 . 1 1 25 25 GLY CA C 13 46.340 0.15 . 1 . . . . . 35 GLY CA . 27162 1 230 . 1 1 25 25 GLY N N 15 114.965 0.05 . 1 . . . . . 35 GLY N . 27162 1 231 . 1 1 26 26 GLY H H 1 7.925 0.01 . 1 . . . . . 36 GLY H . 27162 1 232 . 1 1 26 26 GLY HA2 H 1 3.795 0.05 . 2 . . . . . 36 GLY HA2 . 27162 1 233 . 1 1 26 26 GLY HA3 H 1 4.367 0.05 . 2 . . . . . 36 GLY HA3 . 27162 1 234 . 1 1 26 26 GLY C C 13 173.733 0.1 . 1 . . . . . 36 GLY C . 27162 1 235 . 1 1 26 26 GLY CA C 13 44.802 0.15 . 1 . . . . . 36 GLY CA . 27162 1 236 . 1 1 26 26 GLY N N 15 109.111 0.05 . 1 . . . . . 36 GLY N . 27162 1 237 . 1 1 27 27 SER H H 1 8.144 0.01 . 1 . . . . . 37 SER H . 27162 1 238 . 1 1 27 27 SER HA H 1 4.288 0.05 . 1 . . . . . 37 SER HA . 27162 1 239 . 1 1 27 27 SER HB2 H 1 3.944 0.05 . 1 . . . . . 37 SER HB2 . 27162 1 240 . 1 1 27 27 SER HB3 H 1 3.944 0.05 . 1 . . . . . 37 SER HB3 . 27162 1 241 . 1 1 27 27 SER C C 13 174.322 0.1 . 1 . . . . . 37 SER C . 27162 1 242 . 1 1 27 27 SER CA C 13 59.159 0.15 . 1 . . . . . 37 SER CA . 27162 1 243 . 1 1 27 27 SER CB C 13 63.703 0.15 . 1 . . . . . 37 SER CB . 27162 1 244 . 1 1 27 27 SER N N 15 113.407 0.05 . 1 . . . . . 37 SER N . 27162 1 245 . 1 1 28 28 GLY H H 1 8.185 0.01 . 1 . . . . . 38 GLY H . 27162 1 246 . 1 1 28 28 GLY HA2 H 1 4.034 0.05 . 1 . . . . . 38 GLY HA2 . 27162 1 247 . 1 1 28 28 GLY HA3 H 1 4.034 0.05 . 1 . . . . . 38 GLY HA3 . 27162 1 248 . 1 1 28 28 GLY C C 13 173.527 0.1 . 1 . . . . . 38 GLY C . 27162 1 249 . 1 1 28 28 GLY CA C 13 44.881 0.15 . 1 . . . . . 38 GLY CA . 27162 1 250 . 1 1 28 28 GLY N N 15 109.315 0.05 . 1 . . . . . 38 GLY N . 27162 1 251 . 1 1 29 29 LEU H H 1 8.472 0.01 . 1 . . . . . 39 LEU H . 27162 1 252 . 1 1 29 29 LEU HA H 1 4.140 0.05 . 1 . . . . . 39 LEU HA . 27162 1 253 . 1 1 29 29 LEU HB2 H 1 1.748 0.05 . 1 . . . . . 39 LEU HB2 . 27162 1 254 . 1 1 29 29 LEU HB3 H 1 1.748 0.05 . 1 . . . . . 39 LEU HB3 . 27162 1 255 . 1 1 29 29 LEU HG H 1 0.762 0.05 . 1 . . . . . 39 LEU HG . 27162 1 256 . 1 1 29 29 LEU HD11 H 1 0.864 0.05 . 1 . . . . . 39 LEU MD1 . 27162 1 257 . 1 1 29 29 LEU HD12 H 1 0.864 0.05 . 1 . . . . . 39 LEU MD1 . 27162 1 258 . 1 1 29 29 LEU HD13 H 1 0.864 0.05 . 1 . . . . . 39 LEU MD1 . 27162 1 259 . 1 1 29 29 LEU HD21 H 1 0.864 0.05 . 1 . . . . . 39 LEU MD2 . 27162 1 260 . 1 1 29 29 LEU HD22 H 1 0.864 0.05 . 1 . . . . . 39 LEU MD2 . 27162 1 261 . 1 1 29 29 LEU HD23 H 1 0.864 0.05 . 1 . . . . . 39 LEU MD2 . 27162 1 262 . 1 1 29 29 LEU C C 13 177.311 0.1 . 1 . . . . . 39 LEU C . 27162 1 263 . 1 1 29 29 LEU CA C 13 56.169 0.15 . 1 . . . . . 39 LEU CA . 27162 1 264 . 1 1 29 29 LEU CB C 13 44.063 0.15 . 1 . . . . . 39 LEU CB . 27162 1 265 . 1 1 29 29 LEU CD1 C 13 23.652 0.2 . 2 . . . . . 39 LEU CD1 . 27162 1 266 . 1 1 29 29 LEU CD2 C 13 24.887 0.2 . 2 . . . . . 39 LEU CD2 . 27162 1 267 . 1 1 29 29 LEU N N 15 122.056 0.05 . 1 . . . . . 39 LEU N . 27162 1 268 . 1 1 30 30 SER H H 1 9.051 0.01 . 1 . . . . . 40 SER H . 27162 1 269 . 1 1 30 30 SER HA H 1 5.183 0.05 . 1 . . . . . 40 SER HA . 27162 1 270 . 1 1 30 30 SER HB2 H 1 3.561 0.05 . 1 . . . . . 40 SER HB2 . 27162 1 271 . 1 1 30 30 SER HB3 H 1 3.561 0.05 . 1 . . . . . 40 SER HB3 . 27162 1 272 . 1 1 30 30 SER C C 13 172.878 0.1 . 1 . . . . . 40 SER C . 27162 1 273 . 1 1 30 30 SER CA C 13 59.065 0.15 . 1 . . . . . 40 SER CA . 27162 1 274 . 1 1 30 30 SER CB C 13 66.085 0.15 . 1 . . . . . 40 SER CB . 27162 1 275 . 1 1 30 30 SER N N 15 118.330 0.05 . 1 . . . . . 40 SER N . 27162 1 276 . 1 1 31 31 SER H H 1 9.133 0.01 . 1 . . . . . 41 SER H . 27162 1 277 . 1 1 31 31 SER HA H 1 4.991 0.05 . 1 . . . . . 41 SER HA . 27162 1 278 . 1 1 31 31 SER HB2 H 1 3.950 0.05 . 1 . . . . . 41 SER HB2 . 27162 1 279 . 1 1 31 31 SER HB3 H 1 3.950 0.05 . 1 . . . . . 41 SER HB3 . 27162 1 280 . 1 1 31 31 SER C C 13 175.296 0.1 . 1 . . . . . 41 SER C . 27162 1 281 . 1 1 31 31 SER CA C 13 56.864 0.15 . 1 . . . . . 41 SER CA . 27162 1 282 . 1 1 31 31 SER CB C 13 63.189 0.15 . 1 . . . . . 41 SER CB . 27162 1 283 . 1 1 31 31 SER N N 15 117.088 0.05 . 1 . . . . . 41 SER N . 27162 1 284 . 1 1 32 32 VAL H H 1 9.780 0.01 . 1 . . . . . 42 VAL H . 27162 1 285 . 1 1 32 32 VAL HA H 1 5.454 0.05 . 1 . . . . . 42 VAL HA . 27162 1 286 . 1 1 32 32 VAL HB H 1 1.912 0.05 . 1 . . . . . 42 VAL HB . 27162 1 287 . 1 1 32 32 VAL HG11 H 1 0.888 0.05 . 2 . . . . . 42 VAL MG1 . 27162 1 288 . 1 1 32 32 VAL HG12 H 1 0.888 0.05 . 2 . . . . . 42 VAL MG1 . 27162 1 289 . 1 1 32 32 VAL HG13 H 1 0.888 0.05 . 2 . . . . . 42 VAL MG1 . 27162 1 290 . 1 1 32 32 VAL HG21 H 1 0.682 0.05 . 2 . . . . . 42 VAL MG2 . 27162 1 291 . 1 1 32 32 VAL HG22 H 1 0.682 0.05 . 2 . . . . . 42 VAL MG2 . 27162 1 292 . 1 1 32 32 VAL HG23 H 1 0.682 0.05 . 2 . . . . . 42 VAL MG2 . 27162 1 293 . 1 1 32 32 VAL C C 13 174.706 0.1 . 1 . . . . . 42 VAL C . 27162 1 294 . 1 1 32 32 VAL CA C 13 61.081 0.15 . 1 . . . . . 42 VAL CA . 27162 1 295 . 1 1 32 32 VAL CB C 13 32.959 0.15 . 1 . . . . . 42 VAL CB . 27162 1 296 . 1 1 32 32 VAL CG1 C 13 22.311 0.2 . 2 . . . . . 42 VAL CG1 . 27162 1 297 . 1 1 32 32 VAL CG2 C 13 21.047 0.2 . 2 . . . . . 42 VAL CG2 . 27162 1 298 . 1 1 32 32 VAL N N 15 132.209 0.05 . 1 . . . . . 42 VAL N . 27162 1 299 . 1 1 33 33 THR H H 1 9.275 0.01 . 1 . . . . . 43 THR H . 27162 1 300 . 1 1 33 33 THR HA H 1 5.611 0.05 . 1 . . . . . 43 THR HA . 27162 1 301 . 1 1 33 33 THR HB H 1 4.157 0.05 . 1 . . . . . 43 THR HB . 27162 1 302 . 1 1 33 33 THR HG21 H 1 1.343 0.05 . 1 . . . . . 43 THR MG . 27162 1 303 . 1 1 33 33 THR HG22 H 1 1.343 0.05 . 1 . . . . . 43 THR MG . 27162 1 304 . 1 1 33 33 THR HG23 H 1 1.343 0.05 . 1 . . . . . 43 THR MG . 27162 1 305 . 1 1 33 33 THR C C 13 179.218 0.1 . 1 . . . . . 43 THR C . 27162 1 306 . 1 1 33 33 THR CA C 13 59.553 0.15 . 1 . . . . . 43 THR CA . 27162 1 307 . 1 1 33 33 THR CB C 13 72.390 0.15 . 1 . . . . . 43 THR CB . 27162 1 308 . 1 1 33 33 THR CG2 C 13 22.112 0.2 . 1 . . . . . 43 THR CG2 . 27162 1 309 . 1 1 33 33 THR N N 15 119.037 0.05 . 1 . . . . . 43 THR N . 27162 1 310 . 1 1 34 34 VAL H H 1 8.082 0.01 . 1 . . . . . 44 VAL H . 27162 1 311 . 1 1 34 34 VAL HA H 1 5.313 0.05 . 1 . . . . . 44 VAL HA . 27162 1 312 . 1 1 34 34 VAL HB H 1 1.744 0.05 . 1 . . . . . 44 VAL HB . 27162 1 313 . 1 1 34 34 VAL HG11 H 1 0.582 0.05 . 2 . . . . . 44 VAL MG1 . 27162 1 314 . 1 1 34 34 VAL HG12 H 1 0.582 0.05 . 2 . . . . . 44 VAL MG1 . 27162 1 315 . 1 1 34 34 VAL HG13 H 1 0.582 0.05 . 2 . . . . . 44 VAL MG1 . 27162 1 316 . 1 1 34 34 VAL HG21 H 1 0.571 0.05 . 2 . . . . . 44 VAL MG2 . 27162 1 317 . 1 1 34 34 VAL HG22 H 1 0.571 0.05 . 2 . . . . . 44 VAL MG2 . 27162 1 318 . 1 1 34 34 VAL HG23 H 1 0.571 0.05 . 2 . . . . . 44 VAL MG2 . 27162 1 319 . 1 1 34 34 VAL C C 13 175.603 0.1 . 1 . . . . . 44 VAL C . 27162 1 320 . 1 1 34 34 VAL CA C 13 59.971 0.15 . 1 . . . . . 44 VAL CA . 27162 1 321 . 1 1 34 34 VAL CB C 13 33.599 0.15 . 1 . . . . . 44 VAL CB . 27162 1 322 . 1 1 34 34 VAL CG1 C 13 20.298 0.2 . 2 . . . . . 44 VAL CG1 . 27162 1 323 . 1 1 34 34 VAL CG2 C 13 21.968 0.2 . 2 . . . . . 44 VAL CG2 . 27162 1 324 . 1 1 34 34 VAL N N 15 122.197 0.05 . 1 . . . . . 44 VAL N . 27162 1 325 . 1 1 35 35 PHE H H 1 9.211 0.01 . 1 . . . . . 45 PHE H . 27162 1 326 . 1 1 35 35 PHE HA H 1 5.421 0.05 . 1 . . . . . 45 PHE HA . 27162 1 327 . 1 1 35 35 PHE HB2 H 1 3.126 0.05 . 1 . . . . . 45 PHE HB2 . 27162 1 328 . 1 1 35 35 PHE HB3 H 1 3.126 0.05 . 1 . . . . . 45 PHE HB3 . 27162 1 329 . 1 1 35 35 PHE C C 13 171.216 0.1 . 1 . . . . . 45 PHE C . 27162 1 330 . 1 1 35 35 PHE CA C 13 56.492 0.15 . 1 . . . . . 45 PHE CA . 27162 1 331 . 1 1 35 35 PHE CB C 13 41.676 0.15 . 1 . . . . . 45 PHE CB . 27162 1 332 . 1 1 35 35 PHE N N 15 125.446 0.05 . 1 . . . . . 45 PHE N . 27162 1 333 . 1 1 36 36 LYS H H 1 8.555 0.01 . 1 . . . . . 46 LYS H . 27162 1 334 . 1 1 36 36 LYS HA H 1 4.672 0.05 . 1 . . . . . 46 LYS HA . 27162 1 335 . 1 1 36 36 LYS HB2 H 1 1.259 0.05 . 1 . . . . . 46 LYS HB2 . 27162 1 336 . 1 1 36 36 LYS HB3 H 1 1.259 0.05 . 1 . . . . . 46 LYS HB3 . 27162 1 337 . 1 1 36 36 LYS HG2 H 1 0.491 0.05 . 1 . . . . . 46 LYS HG2 . 27162 1 338 . 1 1 36 36 LYS HG3 H 1 0.491 0.05 . 1 . . . . . 46 LYS HG3 . 27162 1 339 . 1 1 36 36 LYS HE2 H 1 2.798 0.05 . 1 . . . . . 46 LYS HE2 . 27162 1 340 . 1 1 36 36 LYS HE3 H 1 2.798 0.05 . 1 . . . . . 46 LYS HE3 . 27162 1 341 . 1 1 36 36 LYS C C 13 175.773 0.1 . 1 . . . . . 46 LYS C . 27162 1 342 . 1 1 36 36 LYS CA C 13 54.178 0.15 . 1 . . . . . 46 LYS CA . 27162 1 343 . 1 1 36 36 LYS CB C 13 35.667 0.15 . 1 . . . . . 46 LYS CB . 27162 1 344 . 1 1 36 36 LYS CG C 13 24.340 0.2 . 1 . . . . . 46 LYS CG . 27162 1 345 . 1 1 36 36 LYS CD C 13 29.779 0.2 . 1 . . . . . 46 LYS CD . 27162 1 346 . 1 1 36 36 LYS CE C 13 42.579 0.2 . 1 . . . . . 46 LYS CE . 27162 1 347 . 1 1 36 36 LYS N N 15 120.345 0.05 . 1 . . . . . 46 LYS N . 27162 1 348 . 1 1 37 37 VAL H H 1 9.131 0.01 . 1 . . . . . 47 VAL H . 27162 1 349 . 1 1 37 37 VAL HA H 1 4.552 0.05 . 1 . . . . . 47 VAL HA . 27162 1 350 . 1 1 37 37 VAL HB H 1 2.210 0.05 . 1 . . . . . 47 VAL HB . 27162 1 351 . 1 1 37 37 VAL CA C 13 59.574 0.15 . 1 . . . . . 47 VAL CA . 27162 1 352 . 1 1 37 37 VAL CB C 13 33.831 0.15 . 1 . . . . . 47 VAL CB . 27162 1 353 . 1 1 37 37 VAL N N 15 126.130 0.05 . 1 . . . . . 47 VAL N . 27162 1 354 . 1 1 38 38 PRO HA H 1 4.338 0.05 . 1 . . . . . 48 PRO HA . 27162 1 355 . 1 1 38 38 PRO HB2 H 1 1.943 0.05 . 2 . . . . . 48 PRO HB2 . 27162 1 356 . 1 1 38 38 PRO HB3 H 1 2.348 0.05 . 2 . . . . . 48 PRO HB3 . 27162 1 357 . 1 1 38 38 PRO HG2 H 1 1.943 0.05 . 1 . . . . . 48 PRO HG2 . 27162 1 358 . 1 1 38 38 PRO HG3 H 1 1.943 0.05 . 1 . . . . . 48 PRO HG3 . 27162 1 359 . 1 1 38 38 PRO C C 13 176.520 0.1 . 1 . . . . . 48 PRO C . 27162 1 360 . 1 1 38 38 PRO CA C 13 62.704 0.15 . 1 . . . . . 48 PRO CA . 27162 1 361 . 1 1 38 38 PRO CB C 13 32.367 0.15 . 1 . . . . . 48 PRO CB . 27162 1 362 . 1 1 38 38 PRO CG C 13 27.372 0.2 . 1 . . . . . 48 PRO CG . 27162 1 363 . 1 1 38 38 PRO CD C 13 51.224 0.2 . 1 . . . . . 48 PRO CD . 27162 1 364 . 1 1 39 39 HIS H H 1 8.528 0.01 . 1 . . . . . 49 HIS H . 27162 1 365 . 1 1 39 39 HIS HA H 1 4.585 0.05 . 1 . . . . . 49 HIS HA . 27162 1 366 . 1 1 39 39 HIS HB2 H 1 3.242 0.05 . 2 . . . . . 49 HIS HB2 . 27162 1 367 . 1 1 39 39 HIS HB3 H 1 3.046 0.05 . 2 . . . . . 49 HIS HB3 . 27162 1 368 . 1 1 39 39 HIS C C 13 175.486 0.1 . 1 . . . . . 49 HIS C . 27162 1 369 . 1 1 39 39 HIS CA C 13 55.656 0.15 . 1 . . . . . 49 HIS CA . 27162 1 370 . 1 1 39 39 HIS CB C 13 29.876 0.15 . 1 . . . . . 49 HIS CB . 27162 1 371 . 1 1 39 39 HIS N N 15 120.534 0.05 . 1 . . . . . 49 HIS N . 27162 1 372 . 1 1 40 40 GLN H H 1 8.791 0.01 . 1 . . . . . 50 GLN H . 27162 1 373 . 1 1 40 40 GLN HA H 1 4.216 0.05 . 1 . . . . . 50 GLN HA . 27162 1 374 . 1 1 40 40 GLN HB2 H 1 2.375 0.05 . 1 . . . . . 50 GLN HB2 . 27162 1 375 . 1 1 40 40 GLN HB3 H 1 2.375 0.05 . 1 . . . . . 50 GLN HB3 . 27162 1 376 . 1 1 40 40 GLN HG2 H 1 2.375 0.05 . 1 . . . . . 50 GLN HG2 . 27162 1 377 . 1 1 40 40 GLN HG3 H 1 2.375 0.05 . 1 . . . . . 50 GLN HG3 . 27162 1 378 . 1 1 40 40 GLN HE21 H 1 7.604 0.05 . 2 . . . . . 50 GLN HE21 . 27162 1 379 . 1 1 40 40 GLN HE22 H 1 6.857 0.05 . 2 . . . . . 50 GLN HE22 . 27162 1 380 . 1 1 40 40 GLN C C 13 176.262 0.1 . 1 . . . . . 50 GLN C . 27162 1 381 . 1 1 40 40 GLN CA C 13 57.474 0.15 . 1 . . . . . 50 GLN CA . 27162 1 382 . 1 1 40 40 GLN CB C 13 29.400 0.15 . 1 . . . . . 50 GLN CB . 27162 1 383 . 1 1 40 40 GLN CG C 13 33.997 0.2 . 1 . . . . . 50 GLN CG . 27162 1 384 . 1 1 40 40 GLN CD C 13 180.311 0.2 . 1 . . . . . 50 GLN CD . 27162 1 385 . 1 1 40 40 GLN N N 15 121.857 0.05 . 1 . . . . . 50 GLN N . 27162 1 386 . 1 1 40 40 GLN NE2 N 15 112.276 0.05 . 1 . . . . . 50 GLN NE2 . 27162 1 387 . 1 1 41 41 GLU H H 1 8.882 0.01 . 1 . . . . . 51 GLU H . 27162 1 388 . 1 1 41 41 GLU HA H 1 4.319 0.05 . 1 . . . . . 51 GLU HA . 27162 1 389 . 1 1 41 41 GLU HB2 H 1 1.977 0.05 . 1 . . . . . 51 GLU HB2 . 27162 1 390 . 1 1 41 41 GLU HB3 H 1 1.977 0.05 . 1 . . . . . 51 GLU HB3 . 27162 1 391 . 1 1 41 41 GLU HG2 H 1 2.348 0.05 . 1 . . . . . 51 GLU HG2 . 27162 1 392 . 1 1 41 41 GLU HG3 H 1 2.348 0.05 . 1 . . . . . 51 GLU HG3 . 27162 1 393 . 1 1 41 41 GLU C C 13 176.788 0.1 . 1 . . . . . 51 GLU C . 27162 1 394 . 1 1 41 41 GLU CA C 13 57.164 0.15 . 1 . . . . . 51 GLU CA . 27162 1 395 . 1 1 41 41 GLU CB C 13 29.791 0.15 . 1 . . . . . 51 GLU CB . 27162 1 396 . 1 1 41 41 GLU CG C 13 36.382 0.2 . 1 . . . . . 51 GLU CG . 27162 1 397 . 1 1 41 41 GLU N N 15 119.631 0.05 . 1 . . . . . 51 GLU N . 27162 1 398 . 1 1 42 42 GLU H H 1 8.420 0.01 . 1 . . . . . 52 GLU H . 27162 1 399 . 1 1 42 42 GLU HA H 1 4.170 0.05 . 1 . . . . . 52 GLU HA . 27162 1 400 . 1 1 42 42 GLU HB2 H 1 2.265 0.05 . 1 . . . . . 52 GLU HB2 . 27162 1 401 . 1 1 42 42 GLU HB3 H 1 2.265 0.05 . 1 . . . . . 52 GLU HB3 . 27162 1 402 . 1 1 42 42 GLU HG2 H 1 2.265 0.05 . 1 . . . . . 52 GLU HG2 . 27162 1 403 . 1 1 42 42 GLU HG3 H 1 2.265 0.05 . 1 . . . . . 52 GLU HG3 . 27162 1 404 . 1 1 42 42 GLU C C 13 176.219 0.1 . 1 . . . . . 52 GLU C . 27162 1 405 . 1 1 42 42 GLU CA C 13 57.179 0.15 . 1 . . . . . 52 GLU CA . 27162 1 406 . 1 1 42 42 GLU CB C 13 29.700 0.15 . 1 . . . . . 52 GLU CB . 27162 1 407 . 1 1 42 42 GLU CG C 13 36.137 0.2 . 1 . . . . . 52 GLU CG . 27162 1 408 . 1 1 42 42 GLU N N 15 120.858 0.05 . 1 . . . . . 52 GLU N . 27162 1 409 . 1 1 43 43 ASN H H 1 8.436 0.01 . 1 . . . . . 53 ASN H . 27162 1 410 . 1 1 43 43 ASN HA H 1 4.768 0.05 . 1 . . . . . 53 ASN HA . 27162 1 411 . 1 1 43 43 ASN HB2 H 1 2.892 0.05 . 1 . . . . . 53 ASN HB2 . 27162 1 412 . 1 1 43 43 ASN HB3 H 1 2.892 0.05 . 1 . . . . . 53 ASN HB3 . 27162 1 413 . 1 1 43 43 ASN HD21 H 1 7.659 0.05 . 2 . . . . . 53 ASN HD21 . 27162 1 414 . 1 1 43 43 ASN HD22 H 1 7.012 0.05 . 2 . . . . . 53 ASN HD22 . 27162 1 415 . 1 1 43 43 ASN C C 13 175.751 0.1 . 1 . . . . . 53 ASN C . 27162 1 416 . 1 1 43 43 ASN CA C 13 53.467 0.15 . 1 . . . . . 53 ASN CA . 27162 1 417 . 1 1 43 43 ASN CB C 13 38.537 0.15 . 1 . . . . . 53 ASN CB . 27162 1 418 . 1 1 43 43 ASN CG C 13 177.149 0.2 . 1 . . . . . 53 ASN CG . 27162 1 419 . 1 1 43 43 ASN N N 15 117.642 0.05 . 1 . . . . . 53 ASN N . 27162 1 420 . 1 1 43 43 ASN ND2 N 15 112.818 0.05 . 1 . . . . . 53 ASN ND2 . 27162 1 421 . 1 1 44 44 GLY H H 1 8.175 0.01 . 1 . . . . . 54 GLY H . 27162 1 422 . 1 1 44 44 GLY HA2 H 1 4.024 0.05 . 1 . . . . . 54 GLY HA2 . 27162 1 423 . 1 1 44 44 GLY HA3 H 1 4.024 0.05 . 1 . . . . . 54 GLY HA3 . 27162 1 424 . 1 1 44 44 GLY C C 13 173.953 0.1 . 1 . . . . . 54 GLY C . 27162 1 425 . 1 1 44 44 GLY CA C 13 45.300 0.15 . 1 . . . . . 54 GLY CA . 27162 1 426 . 1 1 44 44 GLY N N 15 108.090 0.05 . 1 . . . . . 54 GLY N . 27162 1 427 . 1 1 45 45 CYS H H 1 8.206 0.01 . 1 . . . . . 55 CYS H . 27162 1 428 . 1 1 45 45 CYS HA H 1 4.515 0.05 . 1 . . . . . 55 CYS HA . 27162 1 429 . 1 1 45 45 CYS HB2 H 1 2.838 0.05 . 1 . . . . . 55 CYS HB2 . 27162 1 430 . 1 1 45 45 CYS HB3 H 1 2.838 0.05 . 1 . . . . . 55 CYS HB3 . 27162 1 431 . 1 1 45 45 CYS C C 13 173.701 0.1 . 1 . . . . . 55 CYS C . 27162 1 432 . 1 1 45 45 CYS CA C 13 58.794 0.15 . 1 . . . . . 55 CYS CA . 27162 1 433 . 1 1 45 45 CYS CB C 13 28.558 0.15 . 1 . . . . . 55 CYS CB . 27162 1 434 . 1 1 45 45 CYS N N 15 119.325 0.05 . 1 . . . . . 55 CYS N . 27162 1 435 . 1 1 46 46 ALA H H 1 8.408 0.01 . 1 . . . . . 56 ALA H . 27162 1 436 . 1 1 46 46 ALA HA H 1 4.421 0.05 . 1 . . . . . 56 ALA HA . 27162 1 437 . 1 1 46 46 ALA HB1 H 1 1.041 0.05 . 1 . . . . . 56 ALA MB . 27162 1 438 . 1 1 46 46 ALA HB2 H 1 1.041 0.05 . 1 . . . . . 56 ALA MB . 27162 1 439 . 1 1 46 46 ALA HB3 H 1 1.041 0.05 . 1 . . . . . 56 ALA MB . 27162 1 440 . 1 1 46 46 ALA C C 13 175.012 0.1 . 1 . . . . . 56 ALA C . 27162 1 441 . 1 1 46 46 ALA CA C 13 51.773 0.15 . 1 . . . . . 56 ALA CA . 27162 1 442 . 1 1 46 46 ALA CB C 13 21.972 0.15 . 1 . . . . . 56 ALA CB . 27162 1 443 . 1 1 46 46 ALA N N 15 125.754 0.05 . 1 . . . . . 56 ALA N . 27162 1 444 . 1 1 47 47 ASP H H 1 7.936 0.01 . 1 . . . . . 57 ASP H . 27162 1 445 . 1 1 47 47 ASP HA H 1 5.000 0.05 . 1 . . . . . 57 ASP HA . 27162 1 446 . 1 1 47 47 ASP HB2 H 1 2.491 0.05 . 1 . . . . . 57 ASP HB2 . 27162 1 447 . 1 1 47 47 ASP HB3 H 1 2.491 0.05 . 1 . . . . . 57 ASP HB3 . 27162 1 448 . 1 1 47 47 ASP C C 13 173.865 0.1 . 1 . . . . . 57 ASP C . 27162 1 449 . 1 1 47 47 ASP CA C 13 53.241 0.15 . 1 . . . . . 57 ASP CA . 27162 1 450 . 1 1 47 47 ASP CB C 13 44.753 0.15 . 1 . . . . . 57 ASP CB . 27162 1 451 . 1 1 47 47 ASP N N 15 117.965 0.05 . 1 . . . . . 57 ASP N . 27162 1 452 . 1 1 48 48 PHE H H 1 8.944 0.01 . 1 . . . . . 58 PHE H . 27162 1 453 . 1 1 48 48 PHE HA H 1 5.113 0.05 . 1 . . . . . 58 PHE HA . 27162 1 454 . 1 1 48 48 PHE HB2 H 1 2.747 0.05 . 2 . . . . . 58 PHE HB2 . 27162 1 455 . 1 1 48 48 PHE HB3 H 1 2.281 0.05 . 2 . . . . . 58 PHE HB3 . 27162 1 456 . 1 1 48 48 PHE C C 13 174.471 0.1 . 1 . . . . . 58 PHE C . 27162 1 457 . 1 1 48 48 PHE CA C 13 56.720 0.15 . 1 . . . . . 58 PHE CA . 27162 1 458 . 1 1 48 48 PHE CB C 13 42.865 0.15 . 1 . . . . . 58 PHE CB . 27162 1 459 . 1 1 48 48 PHE N N 15 119.536 0.05 . 1 . . . . . 58 PHE N . 27162 1 460 . 1 1 49 49 PHE H H 1 8.667 0.01 . 1 . . . . . 59 PHE H . 27162 1 461 . 1 1 49 49 PHE HA H 1 5.201 0.05 . 1 . . . . . 59 PHE HA . 27162 1 462 . 1 1 49 49 PHE HB2 H 1 2.568 0.05 . 1 . . . . . 59 PHE HB2 . 27162 1 463 . 1 1 49 49 PHE HB3 H 1 2.568 0.05 . 1 . . . . . 59 PHE HB3 . 27162 1 464 . 1 1 49 49 PHE C C 13 174.654 0.1 . 1 . . . . . 59 PHE C . 27162 1 465 . 1 1 49 49 PHE CA C 13 56.464 0.15 . 1 . . . . . 59 PHE CA . 27162 1 466 . 1 1 49 49 PHE CB C 13 44.592 0.15 . 1 . . . . . 59 PHE CB . 27162 1 467 . 1 1 49 49 PHE N N 15 118.348 0.05 . 1 . . . . . 59 PHE N . 27162 1 468 . 1 1 50 50 ILE H H 1 8.588 0.01 . 1 . . . . . 60 ILE H . 27162 1 469 . 1 1 50 50 ILE HA H 1 5.080 0.05 . 1 . . . . . 60 ILE HA . 27162 1 470 . 1 1 50 50 ILE HB H 1 1.626 0.05 . 1 . . . . . 60 ILE HB . 27162 1 471 . 1 1 50 50 ILE HG12 H 1 0.930 0.05 . 1 . . . . . 60 ILE HG12 . 27162 1 472 . 1 1 50 50 ILE HG13 H 1 0.930 0.05 . 1 . . . . . 60 ILE HG13 . 27162 1 473 . 1 1 50 50 ILE HG21 H 1 0.925 0.05 . 1 . . . . . 60 ILE MG . 27162 1 474 . 1 1 50 50 ILE HG22 H 1 0.925 0.05 . 1 . . . . . 60 ILE MG . 27162 1 475 . 1 1 50 50 ILE HG23 H 1 0.925 0.05 . 1 . . . . . 60 ILE MG . 27162 1 476 . 1 1 50 50 ILE HD11 H 1 0.290 0.05 . 1 . . . . . 60 ILE MD . 27162 1 477 . 1 1 50 50 ILE HD12 H 1 0.290 0.05 . 1 . . . . . 60 ILE MD . 27162 1 478 . 1 1 50 50 ILE HD13 H 1 0.290 0.05 . 1 . . . . . 60 ILE MD . 27162 1 479 . 1 1 50 50 ILE C C 13 175.167 0.1 . 1 . . . . . 60 ILE C . 27162 1 480 . 1 1 50 50 ILE CA C 13 60.662 0.15 . 1 . . . . . 60 ILE CA . 27162 1 481 . 1 1 50 50 ILE CB C 13 40.614 0.15 . 1 . . . . . 60 ILE CB . 27162 1 482 . 1 1 50 50 ILE CG2 C 13 18.170 0.2 . 1 . . . . . 60 ILE CG2 . 27162 1 483 . 1 1 50 50 ILE CD1 C 13 14.118 0.2 . 1 . . . . . 60 ILE CD1 . 27162 1 484 . 1 1 50 50 ILE N N 15 117.320 0.05 . 1 . . . . . 60 ILE N . 27162 1 485 . 1 1 51 51 ARG H H 1 9.141 0.01 . 1 . . . . . 61 ARG H . 27162 1 486 . 1 1 51 51 ARG HA H 1 5.509 0.05 . 1 . . . . . 61 ARG HA . 27162 1 487 . 1 1 51 51 ARG HB2 H 1 2.020 0.05 . 1 . . . . . 61 ARG HB2 . 27162 1 488 . 1 1 51 51 ARG HB3 H 1 2.020 0.05 . 1 . . . . . 61 ARG HB3 . 27162 1 489 . 1 1 51 51 ARG HG2 H 1 1.627 0.05 . 1 . . . . . 61 ARG HG2 . 27162 1 490 . 1 1 51 51 ARG HG3 H 1 1.627 0.05 . 1 . . . . . 61 ARG HG3 . 27162 1 491 . 1 1 51 51 ARG HD2 H 1 3.202 0.05 . 1 . . . . . 61 ARG HD2 . 27162 1 492 . 1 1 51 51 ARG HD3 H 1 3.202 0.05 . 1 . . . . . 61 ARG HD3 . 27162 1 493 . 1 1 51 51 ARG C C 13 174.804 0.1 . 1 . . . . . 61 ARG C . 27162 1 494 . 1 1 51 51 ARG CA C 13 54.478 0.15 . 1 . . . . . 61 ARG CA . 27162 1 495 . 1 1 51 51 ARG CB C 13 35.899 0.15 . 1 . . . . . 61 ARG CB . 27162 1 496 . 1 1 51 51 ARG CG C 13 28.567 0.2 . 1 . . . . . 61 ARG CG . 27162 1 497 . 1 1 51 51 ARG CD C 13 44.042 0.2 . 1 . . . . . 61 ARG CD . 27162 1 498 . 1 1 51 51 ARG N N 15 126.800 0.05 . 1 . . . . . 61 ARG N . 27162 1 499 . 1 1 52 52 GLY H H 1 9.969 0.01 . 1 . . . . . 62 GLY H . 27162 1 500 . 1 1 52 52 GLY HA2 H 1 3.150 0.05 . 1 . . . . . 62 GLY HA2 . 27162 1 501 . 1 1 52 52 GLY HA3 H 1 3.150 0.05 . 1 . . . . . 62 GLY HA3 . 27162 1 502 . 1 1 52 52 GLY C C 13 171.513 0.1 . 1 . . . . . 62 GLY C . 27162 1 503 . 1 1 52 52 GLY CA C 13 45.086 0.15 . 1 . . . . . 62 GLY CA . 27162 1 504 . 1 1 52 52 GLY N N 15 113.564 0.05 . 1 . . . . . 62 GLY N . 27162 1 505 . 1 1 53 53 GLU H H 1 9.015 0.01 . 1 . . . . . 63 GLU H . 27162 1 506 . 1 1 53 53 GLU HA H 1 5.108 0.05 . 1 . . . . . 63 GLU HA . 27162 1 507 . 1 1 53 53 GLU HB2 H 1 2.076 0.05 . 2 . . . . . 63 GLU HB2 . 27162 1 508 . 1 1 53 53 GLU HB3 H 1 1.844 0.05 . 2 . . . . . 63 GLU HB3 . 27162 1 509 . 1 1 53 53 GLU HG2 H 1 2.048 0.05 . 1 . . . . . 63 GLU HG2 . 27162 1 510 . 1 1 53 53 GLU HG3 H 1 2.048 0.05 . 1 . . . . . 63 GLU HG3 . 27162 1 511 . 1 1 53 53 GLU C C 13 174.881 0.1 . 1 . . . . . 63 GLU C . 27162 1 512 . 1 1 53 53 GLU CA C 13 53.601 0.15 . 1 . . . . . 63 GLU CA . 27162 1 513 . 1 1 53 53 GLU CB C 13 33.475 0.15 . 1 . . . . . 63 GLU CB . 27162 1 514 . 1 1 53 53 GLU CG C 13 36.533 0.2 . 1 . . . . . 63 GLU CG . 27162 1 515 . 1 1 53 53 GLU N N 15 125.904 0.05 . 1 . . . . . 63 GLU N . 27162 1 516 . 1 1 54 54 ARG H H 1 9.455 0.01 . 1 . . . . . 64 ARG H . 27162 1 517 . 1 1 54 54 ARG HA H 1 4.671 0.05 . 1 . . . . . 64 ARG HA . 27162 1 518 . 1 1 54 54 ARG HB2 H 1 1.864 0.05 . 1 . . . . . 64 ARG HB2 . 27162 1 519 . 1 1 54 54 ARG HB3 H 1 1.864 0.05 . 1 . . . . . 64 ARG HB3 . 27162 1 520 . 1 1 54 54 ARG HG2 H 1 1.864 0.05 . 1 . . . . . 64 ARG HG2 . 27162 1 521 . 1 1 54 54 ARG HG3 H 1 1.864 0.05 . 1 . . . . . 64 ARG HG3 . 27162 1 522 . 1 1 54 54 ARG HD2 H 1 3.260 0.05 . 1 . . . . . 64 ARG HD2 . 27162 1 523 . 1 1 54 54 ARG HD3 H 1 3.260 0.05 . 1 . . . . . 64 ARG HD3 . 27162 1 524 . 1 1 54 54 ARG C C 13 178.005 0.1 . 1 . . . . . 64 ARG C . 27162 1 525 . 1 1 54 54 ARG CA C 13 57.814 0.15 . 1 . . . . . 64 ARG CA . 27162 1 526 . 1 1 54 54 ARG CB C 13 31.800 0.15 . 1 . . . . . 64 ARG CB . 27162 1 527 . 1 1 54 54 ARG CG C 13 27.226 0.2 . 1 . . . . . 64 ARG CG . 27162 1 528 . 1 1 54 54 ARG CD C 13 44.666 0.2 . 1 . . . . . 64 ARG CD . 27162 1 529 . 1 1 54 54 ARG N N 15 129.297 0.05 . 1 . . . . . 64 ARG N . 27162 1 530 . 1 1 55 55 LEU H H 1 8.691 0.01 . 1 . . . . . 65 LEU H . 27162 1 531 . 1 1 55 55 LEU HA H 1 4.127 0.05 . 1 . . . . . 65 LEU HA . 27162 1 532 . 1 1 55 55 LEU HB2 H 1 1.538 0.05 . 1 . . . . . 65 LEU HB2 . 27162 1 533 . 1 1 55 55 LEU HB3 H 1 1.538 0.05 . 1 . . . . . 65 LEU HB3 . 27162 1 534 . 1 1 55 55 LEU HG H 1 1.672 0.05 . 1 . . . . . 65 LEU HG . 27162 1 535 . 1 1 55 55 LEU HD11 H 1 0.895 0.05 . 2 . . . . . 65 LEU MD1 . 27162 1 536 . 1 1 55 55 LEU HD12 H 1 0.895 0.05 . 2 . . . . . 65 LEU MD1 . 27162 1 537 . 1 1 55 55 LEU HD13 H 1 0.895 0.05 . 2 . . . . . 65 LEU MD1 . 27162 1 538 . 1 1 55 55 LEU HD21 H 1 0.868 0.05 . 2 . . . . . 65 LEU MD2 . 27162 1 539 . 1 1 55 55 LEU HD22 H 1 0.868 0.05 . 2 . . . . . 65 LEU MD2 . 27162 1 540 . 1 1 55 55 LEU HD23 H 1 0.868 0.05 . 2 . . . . . 65 LEU MD2 . 27162 1 541 . 1 1 55 55 LEU C C 13 180.311 0.1 . 1 . . . . . 65 LEU C . 27162 1 542 . 1 1 55 55 LEU CA C 13 58.051 0.15 . 1 . . . . . 65 LEU CA . 27162 1 543 . 1 1 55 55 LEU CB C 13 41.369 0.15 . 1 . . . . . 65 LEU CB . 27162 1 544 . 1 1 55 55 LEU CG C 13 25.982 0.2 . 1 . . . . . 65 LEU CG . 27162 1 545 . 1 1 55 55 LEU CD1 C 13 23.455 0.2 . 2 . . . . . 65 LEU CD1 . 27162 1 546 . 1 1 55 55 LEU CD2 C 13 25.649 0.2 . 2 . . . . . 65 LEU CD2 . 27162 1 547 . 1 1 55 55 LEU N N 15 126.013 0.05 . 1 . . . . . 65 LEU N . 27162 1 548 . 1 1 56 56 ARG H H 1 8.492 0.01 . 1 . . . . . 66 ARG H . 27162 1 549 . 1 1 56 56 ARG HA H 1 4.104 0.05 . 1 . . . . . 66 ARG HA . 27162 1 550 . 1 1 56 56 ARG HB2 H 1 1.603 0.05 . 2 . . . . . 66 ARG HB2 . 27162 1 551 . 1 1 56 56 ARG HB3 H 1 1.925 0.05 . 2 . . . . . 66 ARG HB3 . 27162 1 552 . 1 1 56 56 ARG HG2 H 1 1.603 0.05 . 1 . . . . . 66 ARG HG2 . 27162 1 553 . 1 1 56 56 ARG HG3 H 1 1.603 0.05 . 1 . . . . . 66 ARG HG3 . 27162 1 554 . 1 1 56 56 ARG HD2 H 1 3.235 0.05 . 1 . . . . . 66 ARG HD2 . 27162 1 555 . 1 1 56 56 ARG HD3 H 1 3.235 0.05 . 1 . . . . . 66 ARG HD3 . 27162 1 556 . 1 1 56 56 ARG C C 13 176.758 0.1 . 1 . . . . . 66 ARG C . 27162 1 557 . 1 1 56 56 ARG CA C 13 59.114 0.15 . 1 . . . . . 66 ARG CA . 27162 1 558 . 1 1 56 56 ARG CB C 13 30.245 0.15 . 1 . . . . . 66 ARG CB . 27162 1 559 . 1 1 56 56 ARG CG C 13 26.681 0.2 . 1 . . . . . 66 ARG CG . 27162 1 560 . 1 1 56 56 ARG CD C 13 43.407 0.2 . 1 . . . . . 66 ARG CD . 27162 1 561 . 1 1 56 56 ARG N N 15 115.603 0.05 . 1 . . . . . 66 ARG N . 27162 1 562 . 1 1 57 57 ASP H H 1 7.400 0.01 . 1 . . . . . 67 ASP H . 27162 1 563 . 1 1 57 57 ASP HA H 1 4.748 0.05 . 1 . . . . . 67 ASP HA . 27162 1 564 . 1 1 57 57 ASP HB2 H 1 3.031 0.05 . 2 . . . . . 67 ASP HB2 . 27162 1 565 . 1 1 57 57 ASP HB3 H 1 2.468 0.05 . 2 . . . . . 67 ASP HB3 . 27162 1 566 . 1 1 57 57 ASP C C 13 175.670 0.1 . 1 . . . . . 67 ASP C . 27162 1 567 . 1 1 57 57 ASP CA C 13 52.539 0.15 . 1 . . . . . 67 ASP CA . 27162 1 568 . 1 1 57 57 ASP CB C 13 41.457 0.15 . 1 . . . . . 67 ASP CB . 27162 1 569 . 1 1 57 57 ASP N N 15 113.518 0.05 . 1 . . . . . 67 ASP N . 27162 1 570 . 1 1 58 58 LYS H H 1 8.119 0.01 . 1 . . . . . 68 LYS H . 27162 1 571 . 1 1 58 58 LYS HA H 1 4.023 0.05 . 1 . . . . . 68 LYS HA . 27162 1 572 . 1 1 58 58 LYS HB2 H 1 2.034 0.05 . 2 . . . . . 68 LYS HB2 . 27162 1 573 . 1 1 58 58 LYS HB3 H 1 1.681 0.05 . 2 . . . . . 68 LYS HB3 . 27162 1 574 . 1 1 58 58 LYS HG2 H 1 1.385 0.05 . 1 . . . . . 68 LYS HG2 . 27162 1 575 . 1 1 58 58 LYS HG3 H 1 1.385 0.05 . 1 . . . . . 68 LYS HG3 . 27162 1 576 . 1 1 58 58 LYS HD2 H 1 1.681 0.05 . 1 . . . . . 68 LYS HD2 . 27162 1 577 . 1 1 58 58 LYS HD3 H 1 1.681 0.05 . 1 . . . . . 68 LYS HD3 . 27162 1 578 . 1 1 58 58 LYS HE2 H 1 3.027 0.05 . 1 . . . . . 68 LYS HE2 . 27162 1 579 . 1 1 58 58 LYS HE3 H 1 3.027 0.05 . 1 . . . . . 68 LYS HE3 . 27162 1 580 . 1 1 58 58 LYS C C 13 175.100 0.1 . 1 . . . . . 68 LYS C . 27162 1 581 . 1 1 58 58 LYS CA C 13 57.940 0.15 . 1 . . . . . 68 LYS CA . 27162 1 582 . 1 1 58 58 LYS CB C 13 29.693 0.15 . 1 . . . . . 68 LYS CB . 27162 1 583 . 1 1 58 58 LYS CG C 13 25.417 0.2 . 1 . . . . . 68 LYS CG . 27162 1 584 . 1 1 58 58 LYS CD C 13 29.070 0.2 . 1 . . . . . 68 LYS CD . 27162 1 585 . 1 1 58 58 LYS CE C 13 42.256 0.2 . 1 . . . . . 68 LYS CE . 27162 1 586 . 1 1 58 58 LYS N N 15 115.753 0.05 . 1 . . . . . 68 LYS N . 27162 1 587 . 1 1 59 59 MET H H 1 7.484 0.01 . 1 . . . . . 69 MET H . 27162 1 588 . 1 1 59 59 MET HA H 1 4.319 0.05 . 1 . . . . . 69 MET HA . 27162 1 589 . 1 1 59 59 MET HB2 H 1 1.911 0.05 . 2 . . . . . 69 MET HB2 . 27162 1 590 . 1 1 59 59 MET HB3 H 1 2.352 0.05 . 2 . . . . . 69 MET HB3 . 27162 1 591 . 1 1 59 59 MET HG2 H 1 2.448 0.05 . 1 . . . . . 69 MET HG2 . 27162 1 592 . 1 1 59 59 MET HG3 H 1 2.448 0.05 . 1 . . . . . 69 MET HG3 . 27162 1 593 . 1 1 59 59 MET C C 13 176.722 0.1 . 1 . . . . . 69 MET C . 27162 1 594 . 1 1 59 59 MET CA C 13 55.911 0.15 . 1 . . . . . 69 MET CA . 27162 1 595 . 1 1 59 59 MET CB C 13 33.336 0.15 . 1 . . . . . 69 MET CB . 27162 1 596 . 1 1 59 59 MET CG C 13 32.283 0.2 . 1 . . . . . 69 MET CG . 27162 1 597 . 1 1 59 59 MET N N 15 118.505 0.05 . 1 . . . . . 69 MET N . 27162 1 598 . 1 1 60 60 VAL H H 1 8.929 0.01 . 1 . . . . . 70 VAL H . 27162 1 599 . 1 1 60 60 VAL HA H 1 4.343 0.05 . 1 . . . . . 70 VAL HA . 27162 1 600 . 1 1 60 60 VAL HB H 1 2.134 0.05 . 1 . . . . . 70 VAL HB . 27162 1 601 . 1 1 60 60 VAL HG11 H 1 1.084 0.05 . 1 . . . . . 70 VAL MG1 . 27162 1 602 . 1 1 60 60 VAL HG12 H 1 1.084 0.05 . 1 . . . . . 70 VAL MG1 . 27162 1 603 . 1 1 60 60 VAL HG13 H 1 1.084 0.05 . 1 . . . . . 70 VAL MG1 . 27162 1 604 . 1 1 60 60 VAL HG21 H 1 1.084 0.05 . 1 . . . . . 70 VAL MG2 . 27162 1 605 . 1 1 60 60 VAL HG22 H 1 1.084 0.05 . 1 . . . . . 70 VAL MG2 . 27162 1 606 . 1 1 60 60 VAL HG23 H 1 1.084 0.05 . 1 . . . . . 70 VAL MG2 . 27162 1 607 . 1 1 60 60 VAL C C 13 176.393 0.1 . 1 . . . . . 70 VAL C . 27162 1 608 . 1 1 60 60 VAL CA C 13 64.015 0.15 . 1 . . . . . 70 VAL CA . 27162 1 609 . 1 1 60 60 VAL CB C 13 30.996 0.15 . 1 . . . . . 70 VAL CB . 27162 1 610 . 1 1 60 60 VAL CG1 C 13 21.464 0.2 . 1 . . . . . 70 VAL CG1 . 27162 1 611 . 1 1 60 60 VAL CG2 C 13 21.464 0.2 . 1 . . . . . 70 VAL CG2 . 27162 1 612 . 1 1 60 60 VAL N N 15 127.841 0.05 . 1 . . . . . 70 VAL N . 27162 1 613 . 1 1 61 61 VAL H H 1 8.212 0.01 . 1 . . . . . 71 VAL H . 27162 1 614 . 1 1 61 61 VAL HA H 1 4.439 0.05 . 1 . . . . . 71 VAL HA . 27162 1 615 . 1 1 61 61 VAL HB H 1 2.257 0.05 . 1 . . . . . 71 VAL HB . 27162 1 616 . 1 1 61 61 VAL HG11 H 1 0.931 0.05 . 2 . . . . . 71 VAL MG1 . 27162 1 617 . 1 1 61 61 VAL HG12 H 1 0.931 0.05 . 2 . . . . . 71 VAL MG1 . 27162 1 618 . 1 1 61 61 VAL HG13 H 1 0.931 0.05 . 2 . . . . . 71 VAL MG1 . 27162 1 619 . 1 1 61 61 VAL HG21 H 1 0.830 0.05 . 2 . . . . . 71 VAL MG2 . 27162 1 620 . 1 1 61 61 VAL HG22 H 1 0.830 0.05 . 2 . . . . . 71 VAL MG2 . 27162 1 621 . 1 1 61 61 VAL HG23 H 1 0.830 0.05 . 2 . . . . . 71 VAL MG2 . 27162 1 622 . 1 1 61 61 VAL C C 13 174.357 0.1 . 1 . . . . . 71 VAL C . 27162 1 623 . 1 1 61 61 VAL CA C 13 61.050 0.15 . 1 . . . . . 71 VAL CA . 27162 1 624 . 1 1 61 61 VAL CB C 13 33.088 0.15 . 1 . . . . . 71 VAL CB . 27162 1 625 . 1 1 61 61 VAL CG1 C 13 21.790 0.2 . 2 . . . . . 71 VAL CG1 . 27162 1 626 . 1 1 61 61 VAL CG2 C 13 18.617 0.2 . 2 . . . . . 71 VAL CG2 . 27162 1 627 . 1 1 61 61 VAL N N 15 122.056 0.05 . 1 . . . . . 71 VAL N . 27162 1 628 . 1 1 62 62 LEU H H 1 7.582 0.01 . 1 . . . . . 72 LEU H . 27162 1 629 . 1 1 62 62 LEU HA H 1 4.615 0.05 . 1 . . . . . 72 LEU HA . 27162 1 630 . 1 1 62 62 LEU HB2 H 1 1.344 0.05 . 1 . . . . . 72 LEU HB2 . 27162 1 631 . 1 1 62 62 LEU HB3 H 1 1.344 0.05 . 1 . . . . . 72 LEU HB3 . 27162 1 632 . 1 1 62 62 LEU HG H 1 1.370 0.05 . 1 . . . . . 72 LEU HG . 27162 1 633 . 1 1 62 62 LEU HD11 H 1 0.600 0.05 . 1 . . . . . 72 LEU MD1 . 27162 1 634 . 1 1 62 62 LEU HD12 H 1 0.600 0.05 . 1 . . . . . 72 LEU MD1 . 27162 1 635 . 1 1 62 62 LEU HD13 H 1 0.600 0.05 . 1 . . . . . 72 LEU MD1 . 27162 1 636 . 1 1 62 62 LEU HD21 H 1 0.600 0.05 . 1 . . . . . 72 LEU MD2 . 27162 1 637 . 1 1 62 62 LEU HD22 H 1 0.600 0.05 . 1 . . . . . 72 LEU MD2 . 27162 1 638 . 1 1 62 62 LEU HD23 H 1 0.600 0.05 . 1 . . . . . 72 LEU MD2 . 27162 1 639 . 1 1 62 62 LEU C C 13 174.349 0.1 . 1 . . . . . 72 LEU C . 27162 1 640 . 1 1 62 62 LEU CA C 13 54.829 0.15 . 1 . . . . . 72 LEU CA . 27162 1 641 . 1 1 62 62 LEU CB C 13 46.559 0.15 . 1 . . . . . 72 LEU CB . 27162 1 642 . 1 1 62 62 LEU CG C 13 27.269 0.2 . 1 . . . . . 72 LEU CG . 27162 1 643 . 1 1 62 62 LEU CD1 C 13 24.625 0.2 . 1 . . . . . 72 LEU CD1 . 27162 1 644 . 1 1 62 62 LEU CD2 C 13 24.625 0.2 . 1 . . . . . 72 LEU CD2 . 27162 1 645 . 1 1 62 62 LEU N N 15 121.949 0.05 . 1 . . . . . 72 LEU N . 27162 1 646 . 1 1 63 63 GLU H H 1 8.836 0.01 . 1 . . . . . 73 GLU H . 27162 1 647 . 1 1 63 63 GLU HA H 1 5.223 0.05 . 1 . . . . . 73 GLU HA . 27162 1 648 . 1 1 63 63 GLU HB2 H 1 2.146 0.05 . 1 . . . . . 73 GLU HB2 . 27162 1 649 . 1 1 63 63 GLU HB3 H 1 2.146 0.05 . 1 . . . . . 73 GLU HB3 . 27162 1 650 . 1 1 63 63 GLU HG2 H 1 2.257 0.05 . 1 . . . . . 73 GLU HG2 . 27162 1 651 . 1 1 63 63 GLU HG3 H 1 2.257 0.05 . 1 . . . . . 73 GLU HG3 . 27162 1 652 . 1 1 63 63 GLU C C 13 174.428 0.1 . 1 . . . . . 73 GLU C . 27162 1 653 . 1 1 63 63 GLU CA C 13 57.266 0.15 . 1 . . . . . 73 GLU CA . 27162 1 654 . 1 1 63 63 GLU CB C 13 32.303 0.15 . 1 . . . . . 73 GLU CB . 27162 1 655 . 1 1 63 63 GLU CG C 13 37.885 0.2 . 1 . . . . . 73 GLU CG . 27162 1 656 . 1 1 63 63 GLU N N 15 127.863 0.05 . 1 . . . . . 73 GLU N . 27162 1 657 . 1 1 64 64 CYS H H 1 9.119 0.01 . 1 . . . . . 74 CYS H . 27162 1 658 . 1 1 64 64 CYS HA H 1 5.048 0.05 . 1 . . . . . 74 CYS HA . 27162 1 659 . 1 1 64 64 CYS HB2 H 1 2.899 0.05 . 1 . . . . . 74 CYS HB2 . 27162 1 660 . 1 1 64 64 CYS HB3 H 1 2.899 0.05 . 1 . . . . . 74 CYS HB3 . 27162 1 661 . 1 1 64 64 CYS C C 13 172.180 0.1 . 1 . . . . . 74 CYS C . 27162 1 662 . 1 1 64 64 CYS CA C 13 56.118 0.15 . 1 . . . . . 74 CYS CA . 27162 1 663 . 1 1 64 64 CYS CB C 13 31.390 0.15 . 1 . . . . . 74 CYS CB . 27162 1 664 . 1 1 64 64 CYS N N 15 121.947 0.05 . 1 . . . . . 74 CYS N . 27162 1 665 . 1 1 65 65 MET H H 1 8.909 0.01 . 1 . . . . . 75 MET H . 27162 1 666 . 1 1 65 65 MET HA H 1 4.418 0.05 . 1 . . . . . 75 MET HA . 27162 1 667 . 1 1 65 65 MET HB2 H 1 1.926 0.05 . 2 . . . . . 75 MET HB2 . 27162 1 668 . 1 1 65 65 MET HB3 H 1 2.249 0.05 . 2 . . . . . 75 MET HB3 . 27162 1 669 . 1 1 65 65 MET HG2 H 1 2.249 0.05 . 1 . . . . . 75 MET HG2 . 27162 1 670 . 1 1 65 65 MET HG3 H 1 2.249 0.05 . 1 . . . . . 75 MET HG3 . 27162 1 671 . 1 1 65 65 MET C C 13 175.373 0.1 . 1 . . . . . 75 MET C . 27162 1 672 . 1 1 65 65 MET CA C 13 55.646 0.15 . 1 . . . . . 75 MET CA . 27162 1 673 . 1 1 65 65 MET CB C 13 33.918 0.15 . 1 . . . . . 75 MET CB . 27162 1 674 . 1 1 65 65 MET CG C 13 31.985 0.2 . 1 . . . . . 75 MET CG . 27162 1 675 . 1 1 65 65 MET N N 15 125.634 0.05 . 1 . . . . . 75 MET N . 27162 1 676 . 1 1 66 66 LEU H H 1 8.316 0.01 . 1 . . . . . 76 LEU H . 27162 1 677 . 1 1 66 66 LEU HA H 1 4.046 0.05 . 1 . . . . . 76 LEU HA . 27162 1 678 . 1 1 66 66 LEU HB2 H 1 1.161 0.05 . 1 . . . . . 76 LEU HB2 . 27162 1 679 . 1 1 66 66 LEU HB3 H 1 1.161 0.05 . 1 . . . . . 76 LEU HB3 . 27162 1 680 . 1 1 66 66 LEU HG H 1 1.167 0.05 . 1 . . . . . 76 LEU HG . 27162 1 681 . 1 1 66 66 LEU HD11 H 1 0.477 0.05 . 2 . . . . . 76 LEU MD1 . 27162 1 682 . 1 1 66 66 LEU HD12 H 1 0.477 0.05 . 2 . . . . . 76 LEU MD1 . 27162 1 683 . 1 1 66 66 LEU HD13 H 1 0.477 0.05 . 2 . . . . . 76 LEU MD1 . 27162 1 684 . 1 1 66 66 LEU HD21 H 1 0.490 0.05 . 2 . . . . . 76 LEU MD2 . 27162 1 685 . 1 1 66 66 LEU HD22 H 1 0.490 0.05 . 2 . . . . . 76 LEU MD2 . 27162 1 686 . 1 1 66 66 LEU HD23 H 1 0.490 0.05 . 2 . . . . . 76 LEU MD2 . 27162 1 687 . 1 1 66 66 LEU C C 13 174.630 0.1 . 1 . . . . . 76 LEU C . 27162 1 688 . 1 1 66 66 LEU CA C 13 55.223 0.15 . 1 . . . . . 76 LEU CA . 27162 1 689 . 1 1 66 66 LEU CB C 13 43.189 0.15 . 1 . . . . . 76 LEU CB . 27162 1 690 . 1 1 66 66 LEU CD1 C 13 24.423 0.2 . 2 . . . . . 76 LEU CD1 . 27162 1 691 . 1 1 66 66 LEU CD2 C 13 25.491 0.2 . 2 . . . . . 76 LEU CD2 . 27162 1 692 . 1 1 66 66 LEU N N 15 124.770 0.05 . 1 . . . . . 76 LEU N . 27162 1 693 . 1 1 67 67 LYS H H 1 6.617 0.01 . 1 . . . . . 77 LYS H . 27162 1 694 . 1 1 67 67 LYS HA H 1 4.568 0.05 . 1 . . . . . 77 LYS HA . 27162 1 695 . 1 1 67 67 LYS HB2 H 1 2.042 0.05 . 2 . . . . . 77 LYS HB2 . 27162 1 696 . 1 1 67 67 LYS HB3 H 1 1.730 0.05 . 2 . . . . . 77 LYS HB3 . 27162 1 697 . 1 1 67 67 LYS HG2 H 1 1.730 0.05 . 1 . . . . . 77 LYS HG2 . 27162 1 698 . 1 1 67 67 LYS HG3 H 1 1.730 0.05 . 1 . . . . . 77 LYS HG3 . 27162 1 699 . 1 1 67 67 LYS HD2 H 1 1.402 0.05 . 1 . . . . . 77 LYS HD2 . 27162 1 700 . 1 1 67 67 LYS HD3 H 1 1.402 0.05 . 1 . . . . . 77 LYS HD3 . 27162 1 701 . 1 1 67 67 LYS HE2 H 1 3.019 0.05 . 1 . . . . . 77 LYS HE2 . 27162 1 702 . 1 1 67 67 LYS HE3 H 1 3.019 0.05 . 1 . . . . . 77 LYS HE3 . 27162 1 703 . 1 1 67 67 LYS C C 13 175.991 0.1 . 1 . . . . . 77 LYS C . 27162 1 704 . 1 1 67 67 LYS CA C 13 54.220 0.15 . 1 . . . . . 77 LYS CA . 27162 1 705 . 1 1 67 67 LYS CB C 13 36.718 0.15 . 1 . . . . . 77 LYS CB . 27162 1 706 . 1 1 67 67 LYS CG C 13 24.942 0.2 . 1 . . . . . 77 LYS CG . 27162 1 707 . 1 1 67 67 LYS CD C 13 29.115 0.2 . 1 . . . . . 77 LYS CD . 27162 1 708 . 1 1 67 67 LYS CE C 13 42.076 0.2 . 1 . . . . . 77 LYS CE . 27162 1 709 . 1 1 67 67 LYS N N 15 117.850 0.05 . 1 . . . . . 77 LYS N . 27162 1 710 . 1 1 68 68 LYS H H 1 8.783 0.01 . 1 . . . . . 78 LYS H . 27162 1 711 . 1 1 68 68 LYS HA H 1 3.853 0.05 . 1 . . . . . 78 LYS HA . 27162 1 712 . 1 1 68 68 LYS HB2 H 1 1.873 0.05 . 1 . . . . . 78 LYS HB2 . 27162 1 713 . 1 1 68 68 LYS HB3 H 1 1.873 0.05 . 1 . . . . . 78 LYS HB3 . 27162 1 714 . 1 1 68 68 LYS HG2 H 1 1.388 0.05 . 1 . . . . . 78 LYS HG2 . 27162 1 715 . 1 1 68 68 LYS HG3 H 1 1.388 0.05 . 1 . . . . . 78 LYS HG3 . 27162 1 716 . 1 1 68 68 LYS HD2 H 1 1.672 0.05 . 1 . . . . . 78 LYS HD2 . 27162 1 717 . 1 1 68 68 LYS HD3 H 1 1.672 0.05 . 1 . . . . . 78 LYS HD3 . 27162 1 718 . 1 1 68 68 LYS HE2 H 1 2.982 0.05 . 1 . . . . . 78 LYS HE2 . 27162 1 719 . 1 1 68 68 LYS HE3 H 1 2.982 0.05 . 1 . . . . . 78 LYS HE3 . 27162 1 720 . 1 1 68 68 LYS C C 13 175.579 0.1 . 1 . . . . . 78 LYS C . 27162 1 721 . 1 1 68 68 LYS CA C 13 58.709 0.15 . 1 . . . . . 78 LYS CA . 27162 1 722 . 1 1 68 68 LYS CB C 13 32.518 0.15 . 1 . . . . . 78 LYS CB . 27162 1 723 . 1 1 68 68 LYS CG C 13 24.141 0.2 . 1 . . . . . 78 LYS CG . 27162 1 724 . 1 1 68 68 LYS CD C 13 29.343 0.2 . 1 . . . . . 78 LYS CD . 27162 1 725 . 1 1 68 68 LYS CE C 13 41.895 0.2 . 1 . . . . . 78 LYS CE . 27162 1 726 . 1 1 68 68 LYS N N 15 117.516 0.05 . 1 . . . . . 78 LYS N . 27162 1 727 . 1 1 69 69 ASP H H 1 7.992 0.01 . 1 . . . . . 79 ASP H . 27162 1 728 . 1 1 69 69 ASP HA H 1 4.623 0.05 . 1 . . . . . 79 ASP HA . 27162 1 729 . 1 1 69 69 ASP HB2 H 1 2.849 0.05 . 2 . . . . . 79 ASP HB2 . 27162 1 730 . 1 1 69 69 ASP HB3 H 1 2.609 0.05 . 2 . . . . . 79 ASP HB3 . 27162 1 731 . 1 1 69 69 ASP C C 13 175.182 0.1 . 1 . . . . . 79 ASP C . 27162 1 732 . 1 1 69 69 ASP CA C 13 53.127 0.15 . 1 . . . . . 79 ASP CA . 27162 1 733 . 1 1 69 69 ASP CB C 13 39.563 0.15 . 1 . . . . . 79 ASP CB . 27162 1 734 . 1 1 69 69 ASP N N 15 115.654 0.05 . 1 . . . . . 79 ASP N . 27162 1 735 . 1 1 70 70 LEU H H 1 7.158 0.01 . 1 . . . . . 80 LEU H . 27162 1 736 . 1 1 70 70 LEU HA H 1 4.364 0.05 . 1 . . . . . 80 LEU HA . 27162 1 737 . 1 1 70 70 LEU HB2 H 1 1.764 0.05 . 1 . . . . . 80 LEU HB2 . 27162 1 738 . 1 1 70 70 LEU HB3 H 1 1.764 0.05 . 1 . . . . . 80 LEU HB3 . 27162 1 739 . 1 1 70 70 LEU HG H 1 1.619 0.05 . 1 . . . . . 80 LEU HG . 27162 1 740 . 1 1 70 70 LEU HD11 H 1 0.917 0.05 . 2 . . . . . 80 LEU MD1 . 27162 1 741 . 1 1 70 70 LEU HD12 H 1 0.917 0.05 . 2 . . . . . 80 LEU MD1 . 27162 1 742 . 1 1 70 70 LEU HD13 H 1 0.917 0.05 . 2 . . . . . 80 LEU MD1 . 27162 1 743 . 1 1 70 70 LEU HD21 H 1 0.754 0.05 . 2 . . . . . 80 LEU MD2 . 27162 1 744 . 1 1 70 70 LEU HD22 H 1 0.754 0.05 . 2 . . . . . 80 LEU MD2 . 27162 1 745 . 1 1 70 70 LEU HD23 H 1 0.754 0.05 . 2 . . . . . 80 LEU MD2 . 27162 1 746 . 1 1 70 70 LEU C C 13 175.661 0.1 . 1 . . . . . 80 LEU C . 27162 1 747 . 1 1 70 70 LEU CA C 13 56.666 0.15 . 1 . . . . . 80 LEU CA . 27162 1 748 . 1 1 70 70 LEU CB C 13 43.593 0.15 . 1 . . . . . 80 LEU CB . 27162 1 749 . 1 1 70 70 LEU CG C 13 26.472 0.2 . 1 . . . . . 80 LEU CG . 27162 1 750 . 1 1 70 70 LEU CD1 C 13 25.887 0.2 . 2 . . . . . 80 LEU CD1 . 27162 1 751 . 1 1 70 70 LEU CD2 C 13 26.501 0.2 . 2 . . . . . 80 LEU CD2 . 27162 1 752 . 1 1 70 70 LEU N N 15 121.157 0.05 . 1 . . . . . 80 LEU N . 27162 1 753 . 1 1 71 71 ILE H H 1 8.419 0.01 . 1 . . . . . 81 ILE H . 27162 1 754 . 1 1 71 71 ILE HA H 1 4.388 0.05 . 1 . . . . . 81 ILE HA . 27162 1 755 . 1 1 71 71 ILE HB H 1 2.013 0.05 . 1 . . . . . 81 ILE HB . 27162 1 756 . 1 1 71 71 ILE HG12 H 1 1.735 0.05 . 2 . . . . . 81 ILE HG12 . 27162 1 757 . 1 1 71 71 ILE HG13 H 1 1.315 0.05 . 2 . . . . . 81 ILE HG13 . 27162 1 758 . 1 1 71 71 ILE HG21 H 1 0.958 0.05 . 1 . . . . . 81 ILE MG . 27162 1 759 . 1 1 71 71 ILE HG22 H 1 0.958 0.05 . 1 . . . . . 81 ILE MG . 27162 1 760 . 1 1 71 71 ILE HG23 H 1 0.958 0.05 . 1 . . . . . 81 ILE MG . 27162 1 761 . 1 1 71 71 ILE HD11 H 1 0.956 0.05 . 1 . . . . . 81 ILE MD . 27162 1 762 . 1 1 71 71 ILE HD12 H 1 0.956 0.05 . 1 . . . . . 81 ILE MD . 27162 1 763 . 1 1 71 71 ILE HD13 H 1 0.956 0.05 . 1 . . . . . 81 ILE MD . 27162 1 764 . 1 1 71 71 ILE C C 13 174.049 0.1 . 1 . . . . . 81 ILE C . 27162 1 765 . 1 1 71 71 ILE CA C 13 60.546 0.15 . 1 . . . . . 81 ILE CA . 27162 1 766 . 1 1 71 71 ILE CB C 13 39.122 0.15 . 1 . . . . . 81 ILE CB . 27162 1 767 . 1 1 71 71 ILE CG1 C 13 27.139 0.2 . 1 . . . . . 81 ILE CG1 . 27162 1 768 . 1 1 71 71 ILE CG2 C 13 17.405 0.2 . 1 . . . . . 81 ILE CG2 . 27162 1 769 . 1 1 71 71 ILE CD1 C 13 12.831 0.2 . 1 . . . . . 81 ILE CD1 . 27162 1 770 . 1 1 71 71 ILE N N 15 127.395 0.05 . 1 . . . . . 81 ILE N . 27162 1 771 . 1 1 72 72 TYR H H 1 8.893 0.01 . 1 . . . . . 82 TYR H . 27162 1 772 . 1 1 72 72 TYR HA H 1 4.813 0.05 . 1 . . . . . 82 TYR HA . 27162 1 773 . 1 1 72 72 TYR HB2 H 1 3.030 0.05 . 2 . . . . . 82 TYR HB2 . 27162 1 774 . 1 1 72 72 TYR HB3 H 1 2.394 0.05 . 2 . . . . . 82 TYR HB3 . 27162 1 775 . 1 1 72 72 TYR C C 13 174.215 0.1 . 1 . . . . . 82 TYR C . 27162 1 776 . 1 1 72 72 TYR CA C 13 57.921 0.15 . 1 . . . . . 82 TYR CA . 27162 1 777 . 1 1 72 72 TYR CB C 13 41.670 0.15 . 1 . . . . . 82 TYR CB . 27162 1 778 . 1 1 72 72 TYR N N 15 131.437 0.05 . 1 . . . . . 82 TYR N . 27162 1 779 . 1 1 73 73 ASN H H 1 9.015 0.01 . 1 . . . . . 83 ASN H . 27162 1 780 . 1 1 73 73 ASN HA H 1 4.727 0.05 . 1 . . . . . 83 ASN HA . 27162 1 781 . 1 1 73 73 ASN HB2 H 1 1.817 0.05 . 2 . . . . . 83 ASN HB2 . 27162 1 782 . 1 1 73 73 ASN HB3 H 1 1.590 0.05 . 2 . . . . . 83 ASN HB3 . 27162 1 783 . 1 1 73 73 ASN HD21 H 1 6.807 0.05 . 2 . . . . . 83 ASN HD21 . 27162 1 784 . 1 1 73 73 ASN HD22 H 1 6.722 0.05 . 2 . . . . . 83 ASN HD22 . 27162 1 785 . 1 1 73 73 ASN C C 13 172.944 0.1 . 1 . . . . . 83 ASN C . 27162 1 786 . 1 1 73 73 ASN CA C 13 52.631 0.15 . 1 . . . . . 83 ASN CA . 27162 1 787 . 1 1 73 73 ASN CB C 13 40.870 0.15 . 1 . . . . . 83 ASN CB . 27162 1 788 . 1 1 73 73 ASN CG C 13 176.299 0.2 . 1 . . . . . 83 ASN CG . 27162 1 789 . 1 1 73 73 ASN N N 15 126.639 0.05 . 1 . . . . . 83 ASN N . 27162 1 790 . 1 1 73 73 ASN ND2 N 15 114.211 0.05 . 1 . . . . . 83 ASN ND2 . 27162 1 791 . 1 1 74 74 LYS H H 1 8.589 0.01 . 1 . . . . . 84 LYS H . 27162 1 792 . 1 1 74 74 LYS HA H 1 4.206 0.05 . 1 . . . . . 84 LYS HA . 27162 1 793 . 1 1 74 74 LYS HB2 H 1 1.593 0.05 . 1 . . . . . 84 LYS HB2 . 27162 1 794 . 1 1 74 74 LYS HB3 H 1 1.593 0.05 . 1 . . . . . 84 LYS HB3 . 27162 1 795 . 1 1 74 74 LYS HG2 H 1 0.956 0.05 . 1 . . . . . 84 LYS HG2 . 27162 1 796 . 1 1 74 74 LYS HG3 H 1 0.956 0.05 . 1 . . . . . 84 LYS HG3 . 27162 1 797 . 1 1 74 74 LYS HD2 H 1 1.482 0.05 . 1 . . . . . 84 LYS HD2 . 27162 1 798 . 1 1 74 74 LYS HD3 H 1 1.482 0.05 . 1 . . . . . 84 LYS HD3 . 27162 1 799 . 1 1 74 74 LYS HE2 H 1 2.846 0.05 . 1 . . . . . 84 LYS HE2 . 27162 1 800 . 1 1 74 74 LYS HE3 H 1 2.846 0.05 . 1 . . . . . 84 LYS HE3 . 27162 1 801 . 1 1 74 74 LYS C C 13 175.537 0.1 . 1 . . . . . 84 LYS C . 27162 1 802 . 1 1 74 74 LYS CA C 13 55.782 0.15 . 1 . . . . . 84 LYS CA . 27162 1 803 . 1 1 74 74 LYS CB C 13 30.534 0.15 . 1 . . . . . 84 LYS CB . 27162 1 804 . 1 1 74 74 LYS CG C 13 23.344 0.2 . 1 . . . . . 84 LYS CG . 27162 1 805 . 1 1 74 74 LYS CD C 13 28.787 0.2 . 1 . . . . . 84 LYS CD . 27162 1 806 . 1 1 74 74 LYS CE C 13 41.210 0.2 . 1 . . . . . 84 LYS CE . 27162 1 807 . 1 1 74 74 LYS N N 15 124.663 0.05 . 1 . . . . . 84 LYS N . 27162 1 808 . 1 1 75 75 VAL H H 1 7.757 0.01 . 1 . . . . . 85 VAL H . 27162 1 809 . 1 1 75 75 VAL HA H 1 3.936 0.05 . 1 . . . . . 85 VAL HA . 27162 1 810 . 1 1 75 75 VAL HB H 1 2.185 0.05 . 1 . . . . . 85 VAL HB . 27162 1 811 . 1 1 75 75 VAL HG11 H 1 1.200 0.05 . 2 . . . . . 85 VAL MG1 . 27162 1 812 . 1 1 75 75 VAL HG12 H 1 1.200 0.05 . 2 . . . . . 85 VAL MG1 . 27162 1 813 . 1 1 75 75 VAL HG13 H 1 1.200 0.05 . 2 . . . . . 85 VAL MG1 . 27162 1 814 . 1 1 75 75 VAL HG21 H 1 0.832 0.05 . 2 . . . . . 85 VAL MG2 . 27162 1 815 . 1 1 75 75 VAL HG22 H 1 0.832 0.05 . 2 . . . . . 85 VAL MG2 . 27162 1 816 . 1 1 75 75 VAL HG23 H 1 0.832 0.05 . 2 . . . . . 85 VAL MG2 . 27162 1 817 . 1 1 75 75 VAL C C 13 176.706 0.1 . 1 . . . . . 85 VAL C . 27162 1 818 . 1 1 75 75 VAL CA C 13 65.537 0.15 . 1 . . . . . 85 VAL CA . 27162 1 819 . 1 1 75 75 VAL CB C 13 32.982 0.15 . 1 . . . . . 85 VAL CB . 27162 1 820 . 1 1 75 75 VAL CG1 C 13 21.530 0.2 . 2 . . . . . 85 VAL CG1 . 27162 1 821 . 1 1 75 75 VAL CG2 C 13 21.485 0.2 . 2 . . . . . 85 VAL CG2 . 27162 1 822 . 1 1 75 75 VAL N N 15 125.541 0.05 . 1 . . . . . 85 VAL N . 27162 1 823 . 1 1 76 76 THR H H 1 8.586 0.01 . 1 . . . . . 86 THR H . 27162 1 824 . 1 1 76 76 THR HA H 1 5.107 0.05 . 1 . . . . . 86 THR HA . 27162 1 825 . 1 1 76 76 THR HB H 1 5.107 0.05 . 1 . . . . . 86 THR HB . 27162 1 826 . 1 1 76 76 THR CA C 13 58.935 0.15 . 1 . . . . . 86 THR CA . 27162 1 827 . 1 1 76 76 THR CB C 13 69.310 0.15 . 1 . . . . . 86 THR CB . 27162 1 828 . 1 1 76 76 THR N N 15 111.347 0.05 . 1 . . . . . 86 THR N . 27162 1 829 . 1 1 77 77 PRO HB2 H 1 2.253 0.05 . 2 . . . . . 87 PRO HB2 . 27162 1 830 . 1 1 77 77 PRO HB3 H 1 2.037 0.05 . 2 . . . . . 87 PRO HB3 . 27162 1 831 . 1 1 77 77 PRO HG2 H 1 2.037 0.05 . 1 . . . . . 87 PRO HG2 . 27162 1 832 . 1 1 77 77 PRO HG3 H 1 2.037 0.05 . 1 . . . . . 87 PRO HG3 . 27162 1 833 . 1 1 77 77 PRO C C 13 176.806 0.1 . 1 . . . . . 87 PRO C . 27162 1 834 . 1 1 77 77 PRO CA C 13 64.709 0.15 . 1 . . . . . 87 PRO CA . 27162 1 835 . 1 1 77 77 PRO CB C 13 32.795 0.15 . 1 . . . . . 87 PRO CB . 27162 1 836 . 1 1 78 78 THR H H 1 7.798 0.01 . 1 . . . . . 88 THR H . 27162 1 837 . 1 1 78 78 THR HA H 1 4.466 0.05 . 1 . . . . . 88 THR HA . 27162 1 838 . 1 1 78 78 THR HB H 1 4.466 0.05 . 1 . . . . . 88 THR HB . 27162 1 839 . 1 1 78 78 THR HG21 H 1 0.875 0.05 . 1 . . . . . 88 THR MG . 27162 1 840 . 1 1 78 78 THR HG22 H 1 0.875 0.05 . 1 . . . . . 88 THR MG . 27162 1 841 . 1 1 78 78 THR HG23 H 1 0.875 0.05 . 1 . . . . . 88 THR MG . 27162 1 842 . 1 1 78 78 THR C C 13 172.579 0.1 . 1 . . . . . 88 THR C . 27162 1 843 . 1 1 78 78 THR CA C 13 60.388 0.15 . 1 . . . . . 88 THR CA . 27162 1 844 . 1 1 78 78 THR CB C 13 69.557 0.15 . 1 . . . . . 88 THR CB . 27162 1 845 . 1 1 78 78 THR CG2 C 13 21.420 0.2 . 1 . . . . . 88 THR CG2 . 27162 1 846 . 1 1 78 78 THR N N 15 99.242 0.05 . 1 . . . . . 88 THR N . 27162 1 847 . 1 1 79 79 PHE H H 1 7.826 0.01 . 1 . . . . . 89 PHE H . 27162 1 848 . 1 1 79 79 PHE HA H 1 6.021 0.05 . 1 . . . . . 89 PHE HA . 27162 1 849 . 1 1 79 79 PHE HB2 H 1 3.055 0.05 . 1 . . . . . 89 PHE HB2 . 27162 1 850 . 1 1 79 79 PHE HB3 H 1 3.055 0.05 . 1 . . . . . 89 PHE HB3 . 27162 1 851 . 1 1 79 79 PHE C C 13 173.580 0.1 . 1 . . . . . 89 PHE C . 27162 1 852 . 1 1 79 79 PHE CA C 13 57.168 0.15 . 1 . . . . . 89 PHE CA . 27162 1 853 . 1 1 79 79 PHE CB C 13 40.611 0.15 . 1 . . . . . 89 PHE CB . 27162 1 854 . 1 1 79 79 PHE N N 15 124.174 0.05 . 1 . . . . . 89 PHE N . 27162 1 855 . 1 1 80 80 HIS H H 1 7.973 0.01 . 1 . . . . . 90 HIS H . 27162 1 856 . 1 1 80 80 HIS HA H 1 5.296 0.05 . 1 . . . . . 90 HIS HA . 27162 1 857 . 1 1 80 80 HIS HB2 H 1 3.105 0.05 . 2 . . . . . 90 HIS HB2 . 27162 1 858 . 1 1 80 80 HIS HB3 H 1 2.957 0.05 . 2 . . . . . 90 HIS HB3 . 27162 1 859 . 1 1 80 80 HIS C C 13 173.014 0.1 . 1 . . . . . 90 HIS C . 27162 1 860 . 1 1 80 80 HIS CA C 13 51.377 0.15 . 1 . . . . . 90 HIS CA . 27162 1 861 . 1 1 80 80 HIS CB C 13 36.654 0.15 . 1 . . . . . 90 HIS CB . 27162 1 862 . 1 1 80 80 HIS N N 15 126.583 0.05 . 1 . . . . . 90 HIS N . 27162 1 863 . 1 1 81 81 HIS H H 1 8.556 0.01 . 1 . . . . . 91 HIS H . 27162 1 864 . 1 1 81 81 HIS HA H 1 5.024 0.05 . 1 . . . . . 91 HIS HA . 27162 1 865 . 1 1 81 81 HIS HB2 H 1 2.876 0.05 . 2 . . . . . 91 HIS HB2 . 27162 1 866 . 1 1 81 81 HIS HB3 H 1 1.712 0.05 . 2 . . . . . 91 HIS HB3 . 27162 1 867 . 1 1 81 81 HIS C C 13 172.548 0.1 . 1 . . . . . 91 HIS C . 27162 1 868 . 1 1 81 81 HIS CA C 13 55.139 0.15 . 1 . . . . . 91 HIS CA . 27162 1 869 . 1 1 81 81 HIS CB C 13 34.663 0.15 . 1 . . . . . 91 HIS CB . 27162 1 870 . 1 1 81 81 HIS N N 15 115.173 0.05 . 1 . . . . . 91 HIS N . 27162 1 871 . 1 1 82 82 TRP H H 1 9.415 0.01 . 1 . . . . . 92 TRP H . 27162 1 872 . 1 1 82 82 TRP HA H 1 5.721 0.05 . 1 . . . . . 92 TRP HA . 27162 1 873 . 1 1 82 82 TRP HB2 H 1 3.448 0.05 . 1 . . . . . 92 TRP HB2 . 27162 1 874 . 1 1 82 82 TRP HB3 H 1 3.448 0.05 . 1 . . . . . 92 TRP HB3 . 27162 1 875 . 1 1 82 82 TRP C C 13 174.664 0.1 . 1 . . . . . 92 TRP C . 27162 1 876 . 1 1 82 82 TRP CA C 13 56.839 0.15 . 1 . . . . . 92 TRP CA . 27162 1 877 . 1 1 82 82 TRP CB C 13 33.214 0.15 . 1 . . . . . 92 TRP CB . 27162 1 878 . 1 1 82 82 TRP N N 15 117.555 0.05 . 1 . . . . . 92 TRP N . 27162 1 879 . 1 1 83 83 LYS H H 1 8.993 0.01 . 1 . . . . . 93 LYS H . 27162 1 880 . 1 1 83 83 LYS HA H 1 5.614 0.05 . 1 . . . . . 93 LYS HA . 27162 1 881 . 1 1 83 83 LYS HB2 H 1 1.865 0.05 . 1 . . . . . 93 LYS HB2 . 27162 1 882 . 1 1 83 83 LYS HB3 H 1 1.865 0.05 . 1 . . . . . 93 LYS HB3 . 27162 1 883 . 1 1 83 83 LYS HG2 H 1 1.394 0.05 . 1 . . . . . 93 LYS HG2 . 27162 1 884 . 1 1 83 83 LYS HG3 H 1 1.394 0.05 . 1 . . . . . 93 LYS HG3 . 27162 1 885 . 1 1 83 83 LYS HD2 H 1 1.748 0.05 . 1 . . . . . 93 LYS HD2 . 27162 1 886 . 1 1 83 83 LYS HD3 H 1 1.748 0.05 . 1 . . . . . 93 LYS HD3 . 27162 1 887 . 1 1 83 83 LYS HE2 H 1 3.027 0.05 . 1 . . . . . 93 LYS HE2 . 27162 1 888 . 1 1 83 83 LYS HE3 H 1 3.027 0.05 . 1 . . . . . 93 LYS HE3 . 27162 1 889 . 1 1 83 83 LYS C C 13 175.792 0.1 . 1 . . . . . 93 LYS C . 27162 1 890 . 1 1 83 83 LYS CA C 13 55.014 0.15 . 1 . . . . . 93 LYS CA . 27162 1 891 . 1 1 83 83 LYS CB C 13 36.704 0.15 . 1 . . . . . 93 LYS CB . 27162 1 892 . 1 1 83 83 LYS CG C 13 24.808 0.2 . 1 . . . . . 93 LYS CG . 27162 1 893 . 1 1 83 83 LYS CD C 13 29.952 0.2 . 1 . . . . . 93 LYS CD . 27162 1 894 . 1 1 83 83 LYS CE C 13 42.037 0.2 . 1 . . . . . 93 LYS CE . 27162 1 895 . 1 1 83 83 LYS N N 15 122.341 0.05 . 1 . . . . . 93 LYS N . 27162 1 896 . 1 1 84 84 ILE H H 1 8.867 0.01 . 1 . . . . . 94 ILE H . 27162 1 897 . 1 1 84 84 ILE HA H 1 4.517 0.05 . 1 . . . . . 94 ILE HA . 27162 1 898 . 1 1 84 84 ILE HB H 1 2.072 0.05 . 1 . . . . . 94 ILE HB . 27162 1 899 . 1 1 84 84 ILE HG12 H 1 1.452 0.05 . 1 . . . . . 94 ILE HG12 . 27162 1 900 . 1 1 84 84 ILE HG13 H 1 1.452 0.05 . 1 . . . . . 94 ILE HG13 . 27162 1 901 . 1 1 84 84 ILE HG21 H 1 1.198 0.05 . 1 . . . . . 94 ILE MG . 27162 1 902 . 1 1 84 84 ILE HG22 H 1 1.198 0.05 . 1 . . . . . 94 ILE MG . 27162 1 903 . 1 1 84 84 ILE HG23 H 1 1.198 0.05 . 1 . . . . . 94 ILE MG . 27162 1 904 . 1 1 84 84 ILE HD11 H 1 1.160 0.05 . 1 . . . . . 94 ILE MD . 27162 1 905 . 1 1 84 84 ILE HD12 H 1 1.160 0.05 . 1 . . . . . 94 ILE MD . 27162 1 906 . 1 1 84 84 ILE HD13 H 1 1.160 0.05 . 1 . . . . . 94 ILE MD . 27162 1 907 . 1 1 84 84 ILE C C 13 175.032 0.1 . 1 . . . . . 94 ILE C . 27162 1 908 . 1 1 84 84 ILE CA C 13 60.009 0.15 . 1 . . . . . 94 ILE CA . 27162 1 909 . 1 1 84 84 ILE CB C 13 40.716 0.15 . 1 . . . . . 94 ILE CB . 27162 1 910 . 1 1 84 84 ILE CG1 C 13 28.473 0.2 . 1 . . . . . 94 ILE CG1 . 27162 1 911 . 1 1 84 84 ILE CG2 C 13 17.718 0.2 . 1 . . . . . 94 ILE CG2 . 27162 1 912 . 1 1 84 84 ILE CD1 C 13 14.428 0.2 . 1 . . . . . 94 ILE CD1 . 27162 1 913 . 1 1 84 84 ILE N N 15 125.126 0.05 . 1 . . . . . 94 ILE N . 27162 1 914 . 1 1 85 85 ASP H H 1 9.373 0.01 . 1 . . . . . 95 ASP H . 27162 1 915 . 1 1 85 85 ASP HA H 1 4.244 0.05 . 1 . . . . . 95 ASP HA . 27162 1 916 . 1 1 85 85 ASP HB2 H 1 3.011 0.05 . 1 . . . . . 95 ASP HB2 . 27162 1 917 . 1 1 85 85 ASP HB3 H 1 3.011 0.05 . 1 . . . . . 95 ASP HB3 . 27162 1 918 . 1 1 85 85 ASP C C 13 174.720 0.1 . 1 . . . . . 95 ASP C . 27162 1 919 . 1 1 85 85 ASP CA C 13 56.829 0.15 . 1 . . . . . 95 ASP CA . 27162 1 920 . 1 1 85 85 ASP CB C 13 39.372 0.15 . 1 . . . . . 95 ASP CB . 27162 1 921 . 1 1 85 85 ASP N N 15 128.192 0.05 . 1 . . . . . 95 ASP N . 27162 1 922 . 1 1 86 86 ASP H H 1 8.737 0.01 . 1 . . . . . 96 ASP H . 27162 1 923 . 1 1 86 86 ASP HA H 1 4.587 0.05 . 1 . . . . . 96 ASP HA . 27162 1 924 . 1 1 86 86 ASP HB2 H 1 2.807 0.05 . 1 . . . . . 96 ASP HB2 . 27162 1 925 . 1 1 86 86 ASP HB3 H 1 2.807 0.05 . 1 . . . . . 96 ASP HB3 . 27162 1 926 . 1 1 86 86 ASP C C 13 175.604 0.1 . 1 . . . . . 96 ASP C . 27162 1 927 . 1 1 86 86 ASP CA C 13 54.480 0.15 . 1 . . . . . 96 ASP CA . 27162 1 928 . 1 1 86 86 ASP CB C 13 40.517 0.15 . 1 . . . . . 96 ASP CB . 27162 1 929 . 1 1 86 86 ASP N N 15 118.346 0.05 . 1 . . . . . 96 ASP N . 27162 1 930 . 1 1 87 87 LYS H H 1 8.461 0.01 . 1 . . . . . 97 LYS H . 27162 1 931 . 1 1 87 87 LYS HA H 1 4.423 0.05 . 1 . . . . . 97 LYS HA . 27162 1 932 . 1 1 87 87 LYS HB2 H 1 2.142 0.05 . 1 . . . . . 97 LYS HB2 . 27162 1 933 . 1 1 87 87 LYS HB3 H 1 2.142 0.05 . 1 . . . . . 97 LYS HB3 . 27162 1 934 . 1 1 87 87 LYS HG2 H 1 1.595 0.05 . 1 . . . . . 97 LYS HG2 . 27162 1 935 . 1 1 87 87 LYS HG3 H 1 1.595 0.05 . 1 . . . . . 97 LYS HG3 . 27162 1 936 . 1 1 87 87 LYS HD2 H 1 1.820 0.05 . 1 . . . . . 97 LYS HD2 . 27162 1 937 . 1 1 87 87 LYS HD3 H 1 1.820 0.05 . 1 . . . . . 97 LYS HD3 . 27162 1 938 . 1 1 87 87 LYS HE2 H 1 3.158 0.05 . 1 . . . . . 97 LYS HE2 . 27162 1 939 . 1 1 87 87 LYS HE3 H 1 3.158 0.05 . 1 . . . . . 97 LYS HE3 . 27162 1 940 . 1 1 87 87 LYS C C 13 174.794 0.1 . 1 . . . . . 97 LYS C . 27162 1 941 . 1 1 87 87 LYS CA C 13 55.613 0.15 . 1 . . . . . 97 LYS CA . 27162 1 942 . 1 1 87 87 LYS CB C 13 34.562 0.15 . 1 . . . . . 97 LYS CB . 27162 1 943 . 1 1 87 87 LYS CG C 13 25.047 0.2 . 1 . . . . . 97 LYS CG . 27162 1 944 . 1 1 87 87 LYS CD C 13 28.865 0.2 . 1 . . . . . 97 LYS CD . 27162 1 945 . 1 1 87 87 LYS CE C 13 42.362 0.2 . 1 . . . . . 97 LYS CE . 27162 1 946 . 1 1 87 87 LYS N N 15 121.818 0.05 . 1 . . . . . 97 LYS N . 27162 1 947 . 1 1 88 88 LYS H H 1 7.945 0.01 . 1 . . . . . 98 LYS H . 27162 1 948 . 1 1 88 88 LYS HA H 1 5.084 0.05 . 1 . . . . . 98 LYS HA . 27162 1 949 . 1 1 88 88 LYS HB2 H 1 1.680 0.05 . 2 . . . . . 98 LYS HB2 . 27162 1 950 . 1 1 88 88 LYS HB3 H 1 1.486 0.05 . 2 . . . . . 98 LYS HB3 . 27162 1 951 . 1 1 88 88 LYS HG2 H 1 1.295 0.05 . 1 . . . . . 98 LYS HG2 . 27162 1 952 . 1 1 88 88 LYS HG3 H 1 1.295 0.05 . 1 . . . . . 98 LYS HG3 . 27162 1 953 . 1 1 88 88 LYS HD2 H 1 1.486 0.05 . 1 . . . . . 98 LYS HD2 . 27162 1 954 . 1 1 88 88 LYS HD3 H 1 1.486 0.05 . 1 . . . . . 98 LYS HD3 . 27162 1 955 . 1 1 88 88 LYS HE2 H 1 2.792 0.05 . 1 . . . . . 98 LYS HE2 . 27162 1 956 . 1 1 88 88 LYS HE3 H 1 2.792 0.05 . 1 . . . . . 98 LYS HE3 . 27162 1 957 . 1 1 88 88 LYS C C 13 174.894 0.1 . 1 . . . . . 98 LYS C . 27162 1 958 . 1 1 88 88 LYS CA C 13 55.506 0.15 . 1 . . . . . 98 LYS CA . 27162 1 959 . 1 1 88 88 LYS CB C 13 34.705 0.15 . 1 . . . . . 98 LYS CB . 27162 1 960 . 1 1 88 88 LYS CG C 13 25.265 0.2 . 1 . . . . . 98 LYS CG . 27162 1 961 . 1 1 88 88 LYS CD C 13 29.618 0.2 . 1 . . . . . 98 LYS CD . 27162 1 962 . 1 1 88 88 LYS CE C 13 42.072 0.2 . 1 . . . . . 98 LYS CE . 27162 1 963 . 1 1 88 88 LYS N N 15 120.865 0.05 . 1 . . . . . 98 LYS N . 27162 1 964 . 1 1 89 89 PHE H H 1 8.071 0.01 . 1 . . . . . 99 PHE H . 27162 1 965 . 1 1 89 89 PHE HA H 1 5.164 0.05 . 1 . . . . . 99 PHE HA . 27162 1 966 . 1 1 89 89 PHE HB2 H 1 2.493 0.05 . 1 . . . . . 99 PHE HB2 . 27162 1 967 . 1 1 89 89 PHE HB3 H 1 2.493 0.05 . 1 . . . . . 99 PHE HB3 . 27162 1 968 . 1 1 89 89 PHE C C 13 172.755 0.1 . 1 . . . . . 99 PHE C . 27162 1 969 . 1 1 89 89 PHE CA C 13 56.031 0.15 . 1 . . . . . 99 PHE CA . 27162 1 970 . 1 1 89 89 PHE CB C 13 43.987 0.15 . 1 . . . . . 99 PHE CB . 27162 1 971 . 1 1 89 89 PHE N N 15 119.928 0.05 . 1 . . . . . 99 PHE N . 27162 1 972 . 1 1 90 90 GLY H H 1 8.139 0.01 . 1 . . . . . 100 GLY H . 27162 1 973 . 1 1 90 90 GLY HA2 H 1 4.440 0.05 . 2 . . . . . 100 GLY HA2 . 27162 1 974 . 1 1 90 90 GLY HA3 H 1 3.004 0.05 . 2 . . . . . 100 GLY HA3 . 27162 1 975 . 1 1 90 90 GLY C C 13 171.022 0.1 . 1 . . . . . 100 GLY C . 27162 1 976 . 1 1 90 90 GLY CA C 13 44.722 0.15 . 1 . . . . . 100 GLY CA . 27162 1 977 . 1 1 90 90 GLY N N 15 104.777 0.05 . 1 . . . . . 100 GLY N . 27162 1 978 . 1 1 91 91 LEU H H 1 8.551 0.01 . 1 . . . . . 101 LEU H . 27162 1 979 . 1 1 91 91 LEU HA H 1 5.021 0.05 . 1 . . . . . 101 LEU HA . 27162 1 980 . 1 1 91 91 LEU HB2 H 1 1.538 0.05 . 1 . . . . . 101 LEU HB2 . 27162 1 981 . 1 1 91 91 LEU HB3 H 1 1.538 0.05 . 1 . . . . . 101 LEU HB3 . 27162 1 982 . 1 1 91 91 LEU HG H 1 1.672 0.05 . 1 . . . . . 101 LEU HG . 27162 1 983 . 1 1 91 91 LEU HD11 H 1 0.895 0.05 . 2 . . . . . 101 LEU MD1 . 27162 1 984 . 1 1 91 91 LEU HD12 H 1 0.895 0.05 . 2 . . . . . 101 LEU MD1 . 27162 1 985 . 1 1 91 91 LEU HD13 H 1 0.895 0.05 . 2 . . . . . 101 LEU MD1 . 27162 1 986 . 1 1 91 91 LEU HD21 H 1 0.868 0.05 . 2 . . . . . 101 LEU MD2 . 27162 1 987 . 1 1 91 91 LEU HD22 H 1 0.868 0.05 . 2 . . . . . 101 LEU MD2 . 27162 1 988 . 1 1 91 91 LEU HD23 H 1 0.868 0.05 . 2 . . . . . 101 LEU MD2 . 27162 1 989 . 1 1 91 91 LEU C C 13 174.780 0.1 . 1 . . . . . 101 LEU C . 27162 1 990 . 1 1 91 91 LEU CA C 13 53.357 0.15 . 1 . . . . . 101 LEU CA . 27162 1 991 . 1 1 91 91 LEU CB C 13 46.308 0.15 . 1 . . . . . 101 LEU CB . 27162 1 992 . 1 1 91 91 LEU CG C 13 25.982 0.2 . 1 . . . . . 101 LEU CG . 27162 1 993 . 1 1 91 91 LEU CD1 C 13 23.455 0.2 . 2 . . . . . 101 LEU CD1 . 27162 1 994 . 1 1 91 91 LEU CD2 C 13 25.649 0.2 . 2 . . . . . 101 LEU CD2 . 27162 1 995 . 1 1 91 91 LEU N N 15 119.032 0.05 . 1 . . . . . 101 LEU N . 27162 1 996 . 1 1 92 92 THR H H 1 8.510 0.01 . 1 . . . . . 102 THR H . 27162 1 997 . 1 1 92 92 THR HA H 1 5.271 0.05 . 1 . . . . . 102 THR HA . 27162 1 998 . 1 1 92 92 THR HB H 1 3.960 0.05 . 1 . . . . . 102 THR HB . 27162 1 999 . 1 1 92 92 THR HG21 H 1 1.189 0.05 . 1 . . . . . 102 THR MG . 27162 1 1000 . 1 1 92 92 THR HG22 H 1 1.189 0.05 . 1 . . . . . 102 THR MG . 27162 1 1001 . 1 1 92 92 THR HG23 H 1 1.189 0.05 . 1 . . . . . 102 THR MG . 27162 1 1002 . 1 1 92 92 THR C C 13 175.445 0.1 . 1 . . . . . 102 THR C . 27162 1 1003 . 1 1 92 92 THR CA C 13 61.194 0.15 . 1 . . . . . 102 THR CA . 27162 1 1004 . 1 1 92 92 THR CB C 13 69.233 0.15 . 1 . . . . . 102 THR CB . 27162 1 1005 . 1 1 92 92 THR CG2 C 13 21.832 0.2 . 1 . . . . . 102 THR CG2 . 27162 1 1006 . 1 1 92 92 THR N N 15 115.742 0.05 . 1 . . . . . 102 THR N . 27162 1 1007 . 1 1 93 93 PHE H H 1 9.184 0.01 . 1 . . . . . 103 PHE H . 27162 1 1008 . 1 1 93 93 PHE HA H 1 4.572 0.05 . 1 . . . . . 103 PHE HA . 27162 1 1009 . 1 1 93 93 PHE HB2 H 1 2.393 0.05 . 1 . . . . . 103 PHE HB2 . 27162 1 1010 . 1 1 93 93 PHE HB3 H 1 2.393 0.05 . 1 . . . . . 103 PHE HB3 . 27162 1 1011 . 1 1 93 93 PHE C C 13 175.553 0.1 . 1 . . . . . 103 PHE C . 27162 1 1012 . 1 1 93 93 PHE CA C 13 57.814 0.15 . 1 . . . . . 103 PHE CA . 27162 1 1013 . 1 1 93 93 PHE CB C 13 41.880 0.15 . 1 . . . . . 103 PHE CB . 27162 1 1014 . 1 1 93 93 PHE N N 15 126.470 0.05 . 1 . . . . . 103 PHE N . 27162 1 1015 . 1 1 94 94 GLN H H 1 10.359 0.01 . 1 . . . . . 104 GLN H . 27162 1 1016 . 1 1 94 94 GLN HA H 1 4.254 0.05 . 1 . . . . . 104 GLN HA . 27162 1 1017 . 1 1 94 94 GLN HB2 H 1 2.414 0.05 . 1 . . . . . 104 GLN HB2 . 27162 1 1018 . 1 1 94 94 GLN HB3 H 1 2.414 0.05 . 1 . . . . . 104 GLN HB3 . 27162 1 1019 . 1 1 94 94 GLN HG2 H 1 2.554 0.05 . 1 . . . . . 104 GLN HG2 . 27162 1 1020 . 1 1 94 94 GLN HG3 H 1 2.554 0.05 . 1 . . . . . 104 GLN HG3 . 27162 1 1021 . 1 1 94 94 GLN HE21 H 1 7.471 0.05 . 2 . . . . . 104 GLN HE21 . 27162 1 1022 . 1 1 94 94 GLN HE22 H 1 7.040 0.05 . 2 . . . . . 104 GLN HE22 . 27162 1 1023 . 1 1 94 94 GLN C C 13 175.738 0.1 . 1 . . . . . 104 GLN C . 27162 1 1024 . 1 1 94 94 GLN CA C 13 57.595 0.15 . 1 . . . . . 104 GLN CA . 27162 1 1025 . 1 1 94 94 GLN CB C 13 30.394 0.15 . 1 . . . . . 104 GLN CB . 27162 1 1026 . 1 1 94 94 GLN CG C 13 35.016 0.2 . 1 . . . . . 104 GLN CG . 27162 1 1027 . 1 1 94 94 GLN CD C 13 180.133 0.2 . 1 . . . . . 104 GLN CD . 27162 1 1028 . 1 1 94 94 GLN N N 15 118.553 0.05 . 1 . . . . . 104 GLN N . 27162 1 1029 . 1 1 94 94 GLN NE2 N 15 112.755 0.05 . 1 . . . . . 104 GLN NE2 . 27162 1 1030 . 1 1 95 95 SER H H 1 7.466 0.01 . 1 . . . . . 105 SER H . 27162 1 1031 . 1 1 95 95 SER HA H 1 5.088 0.05 . 1 . . . . . 105 SER HA . 27162 1 1032 . 1 1 95 95 SER CA C 13 55.328 0.15 . 1 . . . . . 105 SER CA . 27162 1 1033 . 1 1 95 95 SER CB C 13 64.963 0.15 . 1 . . . . . 105 SER CB . 27162 1 1034 . 1 1 95 95 SER N N 15 108.513 0.05 . 1 . . . . . 105 SER N . 27162 1 1035 . 1 1 96 96 PRO HA H 1 4.447 0.05 . 1 . . . . . 106 PRO HA . 27162 1 1036 . 1 1 96 96 PRO HB2 H 1 2.380 0.05 . 1 . . . . . 106 PRO HB2 . 27162 1 1037 . 1 1 96 96 PRO HB3 H 1 2.380 0.05 . 1 . . . . . 106 PRO HB3 . 27162 1 1038 . 1 1 96 96 PRO HG2 H 1 2.017 0.05 . 1 . . . . . 106 PRO HG2 . 27162 1 1039 . 1 1 96 96 PRO HG3 H 1 2.017 0.05 . 1 . . . . . 106 PRO HG3 . 27162 1 1040 . 1 1 96 96 PRO C C 13 178.878 0.1 . 1 . . . . . 106 PRO C . 27162 1 1041 . 1 1 96 96 PRO CA C 13 64.194 0.15 . 1 . . . . . 106 PRO CA . 27162 1 1042 . 1 1 96 96 PRO CB C 13 32.341 0.5 . 1 . . . . . 106 PRO CB . 27162 1 1043 . 1 1 96 96 PRO CG C 13 27.891 0.2 . 1 . . . . . 106 PRO CG . 27162 1 1044 . 1 1 97 97 ALA H H 1 8.072 0.01 . 1 . . . . . 107 ALA H . 27162 1 1045 . 1 1 97 97 ALA HA H 1 4.111 0.05 . 1 . . . . . 107 ALA HA . 27162 1 1046 . 1 1 97 97 ALA HB1 H 1 1.483 0.05 . 1 . . . . . 107 ALA MB . 27162 1 1047 . 1 1 97 97 ALA HB2 H 1 1.483 0.05 . 1 . . . . . 107 ALA MB . 27162 1 1048 . 1 1 97 97 ALA HB3 H 1 1.483 0.05 . 1 . . . . . 107 ALA MB . 27162 1 1049 . 1 1 97 97 ALA C C 13 180.575 0.1 . 1 . . . . . 107 ALA C . 27162 1 1050 . 1 1 97 97 ALA CA C 13 55.581 0.15 . 1 . . . . . 107 ALA CA . 27162 1 1051 . 1 1 97 97 ALA CB C 13 18.232 0.15 . 1 . . . . . 107 ALA CB . 27162 1 1052 . 1 1 97 97 ALA N N 15 120.658 0.05 . 1 . . . . . 107 ALA N . 27162 1 1053 . 1 1 98 98 ASP H H 1 7.752 0.01 . 1 . . . . . 108 ASP H . 27162 1 1054 . 1 1 98 98 ASP HA H 1 4.420 0.05 . 1 . . . . . 108 ASP HA . 27162 1 1055 . 1 1 98 98 ASP HB2 H 1 2.945 0.05 . 1 . . . . . 108 ASP HB2 . 27162 1 1056 . 1 1 98 98 ASP HB3 H 1 2.945 0.05 . 1 . . . . . 108 ASP HB3 . 27162 1 1057 . 1 1 98 98 ASP C C 13 177.004 0.1 . 1 . . . . . 108 ASP C . 27162 1 1058 . 1 1 98 98 ASP CA C 13 56.978 0.15 . 1 . . . . . 108 ASP CA . 27162 1 1059 . 1 1 98 98 ASP CB C 13 41.094 0.15 . 1 . . . . . 108 ASP CB . 27162 1 1060 . 1 1 98 98 ASP N N 15 121.219 0.05 . 1 . . . . . 108 ASP N . 27162 1 1061 . 1 1 99 99 ALA H H 1 6.884 0.01 . 1 . . . . . 109 ALA H . 27162 1 1062 . 1 1 99 99 ALA HA H 1 1.831 0.05 . 1 . . . . . 109 ALA HA . 27162 1 1063 . 1 1 99 99 ALA HB1 H 1 0.873 0.05 . 1 . . . . . 109 ALA MB . 27162 1 1064 . 1 1 99 99 ALA HB2 H 1 0.873 0.05 . 1 . . . . . 109 ALA MB . 27162 1 1065 . 1 1 99 99 ALA HB3 H 1 0.873 0.05 . 1 . . . . . 109 ALA MB . 27162 1 1066 . 1 1 99 99 ALA C C 13 179.442 0.1 . 1 . . . . . 109 ALA C . 27162 1 1067 . 1 1 99 99 ALA CA C 13 54.082 0.15 . 1 . . . . . 109 ALA CA . 27162 1 1068 . 1 1 99 99 ALA CB C 13 20.625 0.15 . 1 . . . . . 109 ALA CB . 27162 1 1069 . 1 1 99 99 ALA N N 15 122.284 0.05 . 1 . . . . . 109 ALA N . 27162 1 1070 . 1 1 100 100 ARG H H 1 7.848 0.01 . 1 . . . . . 110 ARG H . 27162 1 1071 . 1 1 100 100 ARG HA H 1 4.223 0.05 . 1 . . . . . 110 ARG HA . 27162 1 1072 . 1 1 100 100 ARG HB2 H 1 1.845 0.05 . 1 . . . . . 110 ARG HB2 . 27162 1 1073 . 1 1 100 100 ARG HB3 H 1 1.845 0.05 . 1 . . . . . 110 ARG HB3 . 27162 1 1074 . 1 1 100 100 ARG HG2 H 1 1.631 0.05 . 1 . . . . . 110 ARG HG2 . 27162 1 1075 . 1 1 100 100 ARG HG3 H 1 1.631 0.05 . 1 . . . . . 110 ARG HG3 . 27162 1 1076 . 1 1 100 100 ARG HD2 H 1 3.255 0.05 . 1 . . . . . 110 ARG HD2 . 27162 1 1077 . 1 1 100 100 ARG HD3 H 1 3.255 0.05 . 1 . . . . . 110 ARG HD3 . 27162 1 1078 . 1 1 100 100 ARG C C 13 179.286 0.1 . 1 . . . . . 110 ARG C . 27162 1 1079 . 1 1 100 100 ARG CA C 13 59.205 0.15 . 1 . . . . . 110 ARG CA . 27162 1 1080 . 1 1 100 100 ARG CB C 13 30.847 0.15 . 1 . . . . . 110 ARG CB . 27162 1 1081 . 1 1 100 100 ARG CG C 13 28.039 0.2 . 1 . . . . . 110 ARG CG . 27162 1 1082 . 1 1 100 100 ARG CD C 13 43.637 0.2 . 1 . . . . . 110 ARG CD . 27162 1 1083 . 1 1 100 100 ARG N N 15 116.313 0.05 . 1 . . . . . 110 ARG N . 27162 1 1084 . 1 1 101 101 ALA H H 1 7.911 0.01 . 1 . . . . . 111 ALA H . 27162 1 1085 . 1 1 101 101 ALA HA H 1 4.054 0.05 . 1 . . . . . 111 ALA HA . 27162 1 1086 . 1 1 101 101 ALA HB1 H 1 1.588 0.05 . 1 . . . . . 111 ALA MB . 27162 1 1087 . 1 1 101 101 ALA HB2 H 1 1.588 0.05 . 1 . . . . . 111 ALA MB . 27162 1 1088 . 1 1 101 101 ALA HB3 H 1 1.588 0.05 . 1 . . . . . 111 ALA MB . 27162 1 1089 . 1 1 101 101 ALA C C 13 180.576 0.1 . 1 . . . . . 111 ALA C . 27162 1 1090 . 1 1 101 101 ALA CA C 13 55.001 0.15 . 1 . . . . . 111 ALA CA . 27162 1 1091 . 1 1 101 101 ALA CB C 13 17.942 0.15 . 1 . . . . . 111 ALA CB . 27162 1 1092 . 1 1 101 101 ALA N N 15 122.129 0.05 . 1 . . . . . 111 ALA N . 27162 1 1093 . 1 1 102 102 PHE H H 1 8.406 0.01 . 1 . . . . . 112 PHE H . 27162 1 1094 . 1 1 102 102 PHE HA H 1 3.775 0.05 . 1 . . . . . 112 PHE HA . 27162 1 1095 . 1 1 102 102 PHE HB2 H 1 3.035 0.05 . 1 . . . . . 112 PHE HB2 . 27162 1 1096 . 1 1 102 102 PHE HB3 H 1 3.035 0.05 . 1 . . . . . 112 PHE HB3 . 27162 1 1097 . 1 1 102 102 PHE C C 13 176.049 0.1 . 1 . . . . . 112 PHE C . 27162 1 1098 . 1 1 102 102 PHE CA C 13 63.000 0.15 . 1 . . . . . 112 PHE CA . 27162 1 1099 . 1 1 102 102 PHE CB C 13 40.816 0.15 . 1 . . . . . 112 PHE CB . 27162 1 1100 . 1 1 102 102 PHE N N 15 122.138 0.05 . 1 . . . . . 112 PHE N . 27162 1 1101 . 1 1 103 103 ASP H H 1 8.207 0.01 . 1 . . . . . 113 ASP H . 27162 1 1102 . 1 1 103 103 ASP HA H 1 4.015 0.05 . 1 . . . . . 113 ASP HA . 27162 1 1103 . 1 1 103 103 ASP HB2 H 1 2.914 0.05 . 1 . . . . . 113 ASP HB2 . 27162 1 1104 . 1 1 103 103 ASP HB3 H 1 2.914 0.05 . 1 . . . . . 113 ASP HB3 . 27162 1 1105 . 1 1 103 103 ASP C C 13 177.188 0.1 . 1 . . . . . 113 ASP C . 27162 1 1106 . 1 1 103 103 ASP CA C 13 56.921 0.15 . 1 . . . . . 113 ASP CA . 27162 1 1107 . 1 1 103 103 ASP CB C 13 42.669 0.15 . 1 . . . . . 113 ASP CB . 27162 1 1108 . 1 1 103 103 ASP N N 15 117.931 0.05 . 1 . . . . . 113 ASP N . 27162 1 1109 . 1 1 104 104 ARG H H 1 8.094 0.01 . 1 . . . . . 114 ARG H . 27162 1 1110 . 1 1 104 104 ARG HA H 1 3.769 0.05 . 1 . . . . . 114 ARG HA . 27162 1 1111 . 1 1 104 104 ARG HB2 H 1 1.819 0.05 . 1 . . . . . 114 ARG HB2 . 27162 1 1112 . 1 1 104 104 ARG HB3 H 1 1.819 0.05 . 1 . . . . . 114 ARG HB3 . 27162 1 1113 . 1 1 104 104 ARG HG2 H 1 1.602 0.05 . 1 . . . . . 114 ARG HG2 . 27162 1 1114 . 1 1 104 104 ARG HG3 H 1 1.602 0.05 . 1 . . . . . 114 ARG HG3 . 27162 1 1115 . 1 1 104 104 ARG HD2 H 1 3.154 0.05 . 1 . . . . . 114 ARG HD2 . 27162 1 1116 . 1 1 104 104 ARG HD3 H 1 3.154 0.05 . 1 . . . . . 114 ARG HD3 . 27162 1 1117 . 1 1 104 104 ARG C C 13 178.951 0.1 . 1 . . . . . 114 ARG C . 27162 1 1118 . 1 1 104 104 ARG CA C 13 59.597 0.15 . 1 . . . . . 114 ARG CA . 27162 1 1119 . 1 1 104 104 ARG CB C 13 30.169 0.15 . 1 . . . . . 114 ARG CB . 27162 1 1120 . 1 1 104 104 ARG CG C 13 27.606 0.2 . 1 . . . . . 114 ARG CG . 27162 1 1121 . 1 1 104 104 ARG CD C 13 43.548 0.2 . 1 . . . . . 114 ARG CD . 27162 1 1122 . 1 1 104 104 ARG N N 15 116.326 0.05 . 1 . . . . . 114 ARG N . 27162 1 1123 . 1 1 105 105 GLY H H 1 7.894 0.01 . 1 . . . . . 115 GLY H . 27162 1 1124 . 1 1 105 105 GLY HA2 H 1 3.787 0.05 . 2 . . . . . 115 GLY HA2 . 27162 1 1125 . 1 1 105 105 GLY HA3 H 1 3.275 0.05 . 2 . . . . . 115 GLY HA3 . 27162 1 1126 . 1 1 105 105 GLY C C 13 174.265 0.1 . 1 . . . . . 115 GLY C . 27162 1 1127 . 1 1 105 105 GLY CA C 13 47.662 0.15 . 1 . . . . . 115 GLY CA . 27162 1 1128 . 1 1 105 105 GLY N N 15 107.566 0.05 . 1 . . . . . 115 GLY N . 27162 1 1129 . 1 1 106 106 ILE H H 1 8.115 0.01 . 1 . . . . . 116 ILE H . 27162 1 1130 . 1 1 106 106 ILE HA H 1 3.186 0.05 . 1 . . . . . 116 ILE HA . 27162 1 1131 . 1 1 106 106 ILE HB H 1 1.626 0.05 . 1 . . . . . 116 ILE HB . 27162 1 1132 . 1 1 106 106 ILE HG12 H 1 0.594 0.05 . 2 . . . . . 116 ILE HG12 . 27162 1 1133 . 1 1 106 106 ILE HG13 H 1 0.165 0.05 . 2 . . . . . 116 ILE HG13 . 27162 1 1134 . 1 1 106 106 ILE HG21 H 1 0.232 0.05 . 1 . . . . . 116 ILE MG . 27162 1 1135 . 1 1 106 106 ILE HG22 H 1 0.232 0.05 . 1 . . . . . 116 ILE MG . 27162 1 1136 . 1 1 106 106 ILE HG23 H 1 0.232 0.05 . 1 . . . . . 116 ILE MG . 27162 1 1137 . 1 1 106 106 ILE HD11 H 1 0.226 0.05 . 1 . . . . . 116 ILE MD . 27162 1 1138 . 1 1 106 106 ILE HD12 H 1 0.226 0.05 . 1 . . . . . 116 ILE MD . 27162 1 1139 . 1 1 106 106 ILE HD13 H 1 0.226 0.05 . 1 . . . . . 116 ILE MD . 27162 1 1140 . 1 1 106 106 ILE C C 13 177.357 0.1 . 1 . . . . . 116 ILE C . 27162 1 1141 . 1 1 106 106 ILE CA C 13 62.697 0.15 . 1 . . . . . 116 ILE CA . 27162 1 1142 . 1 1 106 106 ILE CB C 13 35.085 0.15 . 1 . . . . . 116 ILE CB . 27162 1 1143 . 1 1 106 106 ILE CG2 C 13 16.752 0.2 . 1 . . . . . 116 ILE CG2 . 27162 1 1144 . 1 1 106 106 ILE CD1 C 13 13.821 0.2 . 1 . . . . . 116 ILE CD1 . 27162 1 1145 . 1 1 106 106 ILE N N 15 122.203 0.05 . 1 . . . . . 116 ILE N . 27162 1 1146 . 1 1 107 107 ARG H H 1 8.072 0.01 . 1 . . . . . 117 ARG H . 27162 1 1147 . 1 1 107 107 ARG HA H 1 3.598 0.05 . 1 . . . . . 117 ARG HA . 27162 1 1148 . 1 1 107 107 ARG HB2 H 1 1.704 0.05 . 1 . . . . . 117 ARG HB2 . 27162 1 1149 . 1 1 107 107 ARG HB3 H 1 1.704 0.05 . 1 . . . . . 117 ARG HB3 . 27162 1 1150 . 1 1 107 107 ARG HG2 H 1 1.704 0.05 . 2 . . . . . 117 ARG HG2 . 27162 1 1151 . 1 1 107 107 ARG HG3 H 1 1.514 0.05 . 2 . . . . . 117 ARG HG3 . 27162 1 1152 . 1 1 107 107 ARG HD2 H 1 3.050 0.05 . 1 . . . . . 117 ARG HD2 . 27162 1 1153 . 1 1 107 107 ARG HD3 H 1 3.050 0.05 . 1 . . . . . 117 ARG HD3 . 27162 1 1154 . 1 1 107 107 ARG C C 13 179.471 0.1 . 1 . . . . . 117 ARG C . 27162 1 1155 . 1 1 107 107 ARG CA C 13 59.532 0.15 . 1 . . . . . 117 ARG CA . 27162 1 1156 . 1 1 107 107 ARG CB C 13 29.514 0.15 . 1 . . . . . 117 ARG CB . 27162 1 1157 . 1 1 107 107 ARG CG C 13 27.523 0.2 . 1 . . . . . 117 ARG CG . 27162 1 1158 . 1 1 107 107 ARG CD C 13 43.087 0.2 . 1 . . . . . 117 ARG CD . 27162 1 1159 . 1 1 107 107 ARG N N 15 117.925 0.05 . 1 . . . . . 117 ARG N . 27162 1 1160 . 1 1 108 108 ARG H H 1 7.940 0.01 . 1 . . . . . 118 ARG H . 27162 1 1161 . 1 1 108 108 ARG HA H 1 3.944 0.05 . 1 . . . . . 118 ARG HA . 27162 1 1162 . 1 1 108 108 ARG HB2 H 1 1.904 0.05 . 2 . . . . . 118 ARG HB2 . 27162 1 1163 . 1 1 108 108 ARG HB3 H 1 1.705 0.05 . 2 . . . . . 118 ARG HB3 . 27162 1 1164 . 1 1 108 108 ARG HG2 H 1 1.904 0.05 . 2 . . . . . 118 ARG HG2 . 27162 1 1165 . 1 1 108 108 ARG HG3 H 1 1.705 0.05 . 2 . . . . . 118 ARG HG3 . 27162 1 1166 . 1 1 108 108 ARG HD2 H 1 3.229 0.05 . 1 . . . . . 118 ARG HD2 . 27162 1 1167 . 1 1 108 108 ARG HD3 H 1 3.229 0.05 . 1 . . . . . 118 ARG HD3 . 27162 1 1168 . 1 1 108 108 ARG C C 13 177.532 0.1 . 1 . . . . . 118 ARG C . 27162 1 1169 . 1 1 108 108 ARG CA C 13 58.824 0.15 . 1 . . . . . 118 ARG CA . 27162 1 1170 . 1 1 108 108 ARG CB C 13 30.109 0.15 . 1 . . . . . 118 ARG CB . 27162 1 1171 . 1 1 108 108 ARG CG C 13 27.563 0.2 . 1 . . . . . 118 ARG CG . 27162 1 1172 . 1 1 108 108 ARG CD C 13 43.515 0.2 . 1 . . . . . 118 ARG CD . 27162 1 1173 . 1 1 108 108 ARG N N 15 119.655 0.05 . 1 . . . . . 118 ARG N . 27162 1 1174 . 1 1 109 109 ALA H H 1 7.708 0.01 . 1 . . . . . 119 ALA H . 27162 1 1175 . 1 1 109 109 ALA HA H 1 3.169 0.05 . 1 . . . . . 119 ALA HA . 27162 1 1176 . 1 1 109 109 ALA HB1 H 1 0.521 0.05 . 1 . . . . . 119 ALA MB . 27162 1 1177 . 1 1 109 109 ALA HB2 H 1 0.521 0.05 . 1 . . . . . 119 ALA MB . 27162 1 1178 . 1 1 109 109 ALA HB3 H 1 0.521 0.05 . 1 . . . . . 119 ALA MB . 27162 1 1179 . 1 1 109 109 ALA C C 13 178.293 0.1 . 1 . . . . . 119 ALA C . 27162 1 1180 . 1 1 109 109 ALA CA C 13 55.183 0.15 . 1 . . . . . 119 ALA CA . 27162 1 1181 . 1 1 109 109 ALA CB C 13 17.543 0.15 . 1 . . . . . 119 ALA CB . 27162 1 1182 . 1 1 109 109 ALA N N 15 122.392 0.05 . 1 . . . . . 119 ALA N . 27162 1 1183 . 1 1 110 110 ILE H H 1 8.092 0.01 . 1 . . . . . 120 ILE H . 27162 1 1184 . 1 1 110 110 ILE HA H 1 3.255 0.05 . 1 . . . . . 120 ILE HA . 27162 1 1185 . 1 1 110 110 ILE HB H 1 1.845 0.05 . 1 . . . . . 120 ILE HB . 27162 1 1186 . 1 1 110 110 ILE HG12 H 1 1.631 0.05 . 1 . . . . . 120 ILE HG12 . 27162 1 1187 . 1 1 110 110 ILE HG13 H 1 1.631 0.05 . 1 . . . . . 120 ILE HG13 . 27162 1 1188 . 1 1 110 110 ILE HG21 H 1 0.823 0.05 . 1 . . . . . 120 ILE MG . 27162 1 1189 . 1 1 110 110 ILE HG22 H 1 0.823 0.05 . 1 . . . . . 120 ILE MG . 27162 1 1190 . 1 1 110 110 ILE HG23 H 1 0.823 0.05 . 1 . . . . . 120 ILE MG . 27162 1 1191 . 1 1 110 110 ILE HD11 H 1 0.619 0.05 . 1 . . . . . 120 ILE MD . 27162 1 1192 . 1 1 110 110 ILE HD12 H 1 0.619 0.05 . 1 . . . . . 120 ILE MD . 27162 1 1193 . 1 1 110 110 ILE HD13 H 1 0.619 0.05 . 1 . . . . . 120 ILE MD . 27162 1 1194 . 1 1 110 110 ILE C C 13 176.739 0.1 . 1 . . . . . 120 ILE C . 27162 1 1195 . 1 1 110 110 ILE CA C 13 64.143 0.15 . 1 . . . . . 120 ILE CA . 27162 1 1196 . 1 1 110 110 ILE CB C 13 36.933 0.15 . 1 . . . . . 120 ILE CB . 27162 1 1197 . 1 1 110 110 ILE CG1 C 13 28.071 0.2 . 1 . . . . . 120 ILE CG1 . 27162 1 1198 . 1 1 110 110 ILE CG2 C 13 17.365 0.2 . 1 . . . . . 120 ILE CG2 . 27162 1 1199 . 1 1 110 110 ILE CD1 C 13 12.686 0.2 . 1 . . . . . 120 ILE CD1 . 27162 1 1200 . 1 1 110 110 ILE N N 15 115.752 0.05 . 1 . . . . . 120 ILE N . 27162 1 1201 . 1 1 111 111 GLU H H 1 7.920 0.01 . 1 . . . . . 121 GLU H . 27162 1 1202 . 1 1 111 111 GLU HA H 1 3.909 0.05 . 1 . . . . . 121 GLU HA . 27162 1 1203 . 1 1 111 111 GLU HB2 H 1 2.190 0.05 . 1 . . . . . 121 GLU HB2 . 27162 1 1204 . 1 1 111 111 GLU HB3 H 1 2.190 0.05 . 1 . . . . . 121 GLU HB3 . 27162 1 1205 . 1 1 111 111 GLU HG2 H 1 2.343 0.05 . 1 . . . . . 121 GLU HG2 . 27162 1 1206 . 1 1 111 111 GLU HG3 H 1 2.343 0.05 . 1 . . . . . 121 GLU HG3 . 27162 1 1207 . 1 1 111 111 GLU C C 13 178.669 0.1 . 1 . . . . . 121 GLU C . 27162 1 1208 . 1 1 111 111 GLU CA C 13 59.425 0.15 . 1 . . . . . 121 GLU CA . 27162 1 1209 . 1 1 111 111 GLU CB C 13 29.280 0.15 . 1 . . . . . 121 GLU CB . 27162 1 1210 . 1 1 111 111 GLU CG C 13 36.343 0.2 . 1 . . . . . 121 GLU CG . 27162 1 1211 . 1 1 111 111 GLU N N 15 122.044 0.05 . 1 . . . . . 121 GLU N . 27162 1 1212 . 1 1 112 112 ASP H H 1 7.906 0.01 . 1 . . . . . 122 ASP H . 27162 1 1213 . 1 1 112 112 ASP HA H 1 4.490 0.05 . 1 . . . . . 122 ASP HA . 27162 1 1214 . 1 1 112 112 ASP HB2 H 1 2.895 0.05 . 1 . . . . . 122 ASP HB2 . 27162 1 1215 . 1 1 112 112 ASP HB3 H 1 2.895 0.05 . 1 . . . . . 122 ASP HB3 . 27162 1 1216 . 1 1 112 112 ASP C C 13 179.294 0.1 . 1 . . . . . 122 ASP C . 27162 1 1217 . 1 1 112 112 ASP CA C 13 56.691 0.15 . 1 . . . . . 122 ASP CA . 27162 1 1218 . 1 1 112 112 ASP CB C 13 40.160 0.15 . 1 . . . . . 122 ASP CB . 27162 1 1219 . 1 1 112 112 ASP N N 15 120.933 0.05 . 1 . . . . . 122 ASP N . 27162 1 1220 . 1 1 113 113 ILE H H 1 8.084 0.01 . 1 . . . . . 123 ILE H . 27162 1 1221 . 1 1 113 113 ILE HA H 1 3.618 0.05 . 1 . . . . . 123 ILE HA . 27162 1 1222 . 1 1 113 113 ILE HB H 1 1.575 0.05 . 1 . . . . . 123 ILE HB . 27162 1 1223 . 1 1 113 113 ILE HG21 H 1 0.819 0.05 . 1 . . . . . 123 ILE MG . 27162 1 1224 . 1 1 113 113 ILE HG22 H 1 0.819 0.05 . 1 . . . . . 123 ILE MG . 27162 1 1225 . 1 1 113 113 ILE HG23 H 1 0.819 0.05 . 1 . . . . . 123 ILE MG . 27162 1 1226 . 1 1 113 113 ILE HD11 H 1 0.829 0.05 . 1 . . . . . 123 ILE MD . 27162 1 1227 . 1 1 113 113 ILE HD12 H 1 0.829 0.05 . 1 . . . . . 123 ILE MD . 27162 1 1228 . 1 1 113 113 ILE HD13 H 1 0.829 0.05 . 1 . . . . . 123 ILE MD . 27162 1 1229 . 1 1 113 113 ILE C C 13 178.141 0.1 . 1 . . . . . 123 ILE C . 27162 1 1230 . 1 1 113 113 ILE CA C 13 64.807 0.15 . 1 . . . . . 123 ILE CA . 27162 1 1231 . 1 1 113 113 ILE CB C 13 38.442 0.15 . 1 . . . . . 123 ILE CB . 27162 1 1232 . 1 1 113 113 ILE CG1 C 13 28.409 0.2 . 1 . . . . . 123 ILE CG1 . 27162 1 1233 . 1 1 113 113 ILE CG2 C 13 17.362 0.2 . 1 . . . . . 123 ILE CG2 . 27162 1 1234 . 1 1 113 113 ILE CD1 C 13 14.176 0.2 . 1 . . . . . 123 ILE CD1 . 27162 1 1235 . 1 1 113 113 ILE N N 15 122.555 0.05 . 1 . . . . . 123 ILE N . 27162 1 1236 . 1 1 114 114 SER H H 1 7.968 0.01 . 1 . . . . . 124 SER H . 27162 1 1237 . 1 1 114 114 SER HA H 1 4.312 0.05 . 1 . . . . . 124 SER HA . 27162 1 1238 . 1 1 114 114 SER HB2 H 1 3.977 0.05 . 1 . . . . . 124 SER HB2 . 27162 1 1239 . 1 1 114 114 SER HB3 H 1 3.977 0.05 . 1 . . . . . 124 SER HB3 . 27162 1 1240 . 1 1 114 114 SER C C 13 175.003 0.1 . 1 . . . . . 124 SER C . 27162 1 1241 . 1 1 114 114 SER CA C 13 60.189 0.15 . 1 . . . . . 124 SER CA . 27162 1 1242 . 1 1 114 114 SER CB C 13 63.385 0.15 . 1 . . . . . 124 SER CB . 27162 1 1243 . 1 1 114 114 SER N N 15 115.456 0.05 . 1 . . . . . 124 SER N . 27162 1 1244 . 1 1 115 115 GLN H H 1 7.982 0.01 . 1 . . . . . 125 GLN H . 27162 1 1245 . 1 1 115 115 GLN HA H 1 4.312 0.05 . 1 . . . . . 125 GLN HA . 27162 1 1246 . 1 1 115 115 GLN HB2 H 1 2.146 0.05 . 1 . . . . . 125 GLN HB2 . 27162 1 1247 . 1 1 115 115 GLN HB3 H 1 2.146 0.05 . 1 . . . . . 125 GLN HB3 . 27162 1 1248 . 1 1 115 115 GLN HG2 H 1 2.477 0.05 . 1 . . . . . 125 GLN HG2 . 27162 1 1249 . 1 1 115 115 GLN HG3 H 1 2.477 0.05 . 1 . . . . . 125 GLN HG3 . 27162 1 1250 . 1 1 115 115 GLN HE21 H 1 7.536 0.05 . 2 . . . . . 125 GLN HE21 . 27162 1 1251 . 1 1 115 115 GLN HE22 H 1 6.842 0.05 . 2 . . . . . 125 GLN HE22 . 27162 1 1252 . 1 1 115 115 GLN C C 13 176.670 0.1 . 1 . . . . . 125 GLN C . 27162 1 1253 . 1 1 115 115 GLN CA C 13 56.599 0.15 . 1 . . . . . 125 GLN CA . 27162 1 1254 . 1 1 115 115 GLN CB C 13 29.243 0.15 . 1 . . . . . 125 GLN CB . 27162 1 1255 . 1 1 115 115 GLN CG C 13 33.854 0.2 . 1 . . . . . 125 GLN CG . 27162 1 1256 . 1 1 115 115 GLN CD C 13 180.461 0.2 . 1 . . . . . 125 GLN CD . 27162 1 1257 . 1 1 115 115 GLN N N 15 120.044 0.05 . 1 . . . . . 125 GLN N . 27162 1 1258 . 1 1 115 115 GLN NE2 N 15 112.237 0.05 . 1 . . . . . 125 GLN NE2 . 27162 1 1259 . 1 1 116 116 GLY H H 1 8.148 0.01 . 1 . . . . . 126 GLY H . 27162 1 1260 . 1 1 116 116 GLY HA2 H 1 4.031 0.05 . 1 . . . . . 126 GLY HA2 . 27162 1 1261 . 1 1 116 116 GLY HA3 H 1 4.031 0.05 . 1 . . . . . 126 GLY HA3 . 27162 1 1262 . 1 1 116 116 GLY C C 13 173.746 0.1 . 1 . . . . . 126 GLY C . 27162 1 1263 . 1 1 116 116 GLY CA C 13 45.480 0.15 . 1 . . . . . 126 GLY CA . 27162 1 1264 . 1 1 116 116 GLY N N 15 108.479 0.05 . 1 . . . . . 126 GLY N . 27162 1 1265 . 1 1 117 117 CYS H H 1 8.175 0.01 . 1 . . . . . 127 CYS H . 27162 1 1266 . 1 1 117 117 CYS HA H 1 4.790 0.05 . 1 . . . . . 127 CYS HA . 27162 1 1267 . 1 1 117 117 CYS HB2 H 1 2.942 0.05 . 1 . . . . . 127 CYS HB2 . 27162 1 1268 . 1 1 117 117 CYS HB3 H 1 2.942 0.05 . 1 . . . . . 127 CYS HB3 . 27162 1 1269 . 1 1 117 117 CYS CA C 13 56.652 0.15 . 1 . . . . . 127 CYS CA . 27162 1 1270 . 1 1 117 117 CYS CB C 13 27.676 0.15 . 1 . . . . . 127 CYS CB . 27162 1 1271 . 1 1 117 117 CYS N N 15 119.823 0.05 . 1 . . . . . 127 CYS N . 27162 1 1272 . 1 1 118 118 PRO HA H 1 4.490 0.05 . 1 . . . . . 128 PRO HA . 27162 1 1273 . 1 1 118 118 PRO HB2 H 1 2.034 0.05 . 2 . . . . . 128 PRO HB2 . 27162 1 1274 . 1 1 118 118 PRO HB3 H 1 2.338 0.05 . 2 . . . . . 128 PRO HB3 . 27162 1 1275 . 1 1 118 118 PRO HG2 H 1 2.034 0.05 . 1 . . . . . 128 PRO HG2 . 27162 1 1276 . 1 1 118 118 PRO HG3 H 1 2.034 0.05 . 1 . . . . . 128 PRO HG3 . 27162 1 1277 . 1 1 118 118 PRO HD2 H 1 3.783 0.05 . 1 . . . . . 128 PRO HD2 . 27162 1 1278 . 1 1 118 118 PRO HD3 H 1 3.783 0.05 . 1 . . . . . 128 PRO HD3 . 27162 1 1279 . 1 1 118 118 PRO C C 13 176.895 0.1 . 1 . . . . . 128 PRO C . 27162 1 1280 . 1 1 118 118 PRO CA C 13 63.396 0.15 . 1 . . . . . 128 PRO CA . 27162 1 1281 . 1 1 118 118 PRO CB C 13 32.206 0.15 . 1 . . . . . 128 PRO CB . 27162 1 1282 . 1 1 118 118 PRO CG C 13 27.241 0.2 . 1 . . . . . 128 PRO CG . 27162 1 1283 . 1 1 118 118 PRO CD C 13 50.793 0.2 . 1 . . . . . 128 PRO CD . 27162 1 1284 . 1 1 119 119 GLU H H 1 8.542 0.01 . 1 . . . . . 129 GLU H . 27162 1 1285 . 1 1 119 119 GLU HA H 1 4.312 0.05 . 1 . . . . . 129 GLU HA . 27162 1 1286 . 1 1 119 119 GLU HB2 H 1 2.021 0.05 . 1 . . . . . 129 GLU HB2 . 27162 1 1287 . 1 1 119 119 GLU HB3 H 1 2.021 0.05 . 1 . . . . . 129 GLU HB3 . 27162 1 1288 . 1 1 119 119 GLU HG2 H 1 2.302 0.05 . 1 . . . . . 129 GLU HG2 . 27162 1 1289 . 1 1 119 119 GLU HG3 H 1 2.302 0.05 . 1 . . . . . 129 GLU HG3 . 27162 1 1290 . 1 1 119 119 GLU C C 13 175.764 0.1 . 1 . . . . . 129 GLU C . 27162 1 1291 . 1 1 119 119 GLU CA C 13 56.770 0.15 . 1 . . . . . 129 GLU CA . 27162 1 1292 . 1 1 119 119 GLU CB C 13 30.475 0.15 . 1 . . . . . 129 GLU CB . 27162 1 1293 . 1 1 119 119 GLU CG C 13 36.346 0.2 . 1 . . . . . 129 GLU CG . 27162 1 1294 . 1 1 119 119 GLU N N 15 121.265 0.05 . 1 . . . . . 129 GLU N . 27162 1 1295 . 1 1 120 120 SER H H 1 7.952 0.01 . 1 . . . . . 130 SER H . 27162 1 1296 . 1 1 120 120 SER HA H 1 4.265 0.05 . 1 . . . . . 130 SER HA . 27162 1 1297 . 1 1 120 120 SER HB2 H 1 3.856 0.05 . 1 . . . . . 130 SER HB2 . 27162 1 1298 . 1 1 120 120 SER HB3 H 1 3.856 0.05 . 1 . . . . . 130 SER HB3 . 27162 1 1299 . 1 1 120 120 SER CA C 13 59.858 0.15 . 1 . . . . . 130 SER CA . 27162 1 1300 . 1 1 120 120 SER CB C 13 64.870 0.15 . 1 . . . . . 130 SER CB . 27162 1 1301 . 1 1 120 120 SER N N 15 122.063 0.05 . 1 . . . . . 130 SER N . 27162 1 stop_ save_