data_17170 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17170 _Entry.Title ; Resonance assignments of the Myb2 DNA binding domain in complex with its promoter MRE-1 from Trichomonas vaginalis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-07 _Entry.Accession_date 2010-09-07 _Entry.Last_release_date 2012-08-01 _Entry.Original_release_date 2012-08-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tai-Huang Huang . . . 17170 2 Ingjye Jiang . . . 17170 3 Chen-Kun Tsai . . . 17170 4 Mandar Naik . T. . 17170 5 Chi-Fon Chang . . . 17170 6 Wen-Jin Wu . . . 17170 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17170 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 476 17170 '15N chemical shifts' 112 17170 '1H chemical shifts' 723 17170 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-01 2010-09-07 original author . 17170 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17170 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Resonance assignments of the Myb2 DNA binding domain in complex with its promoter MRE-1 from Trichomonas vaginalis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Tai-huang Huang . . . 17170 1 2 Ingjye Jiang . . . 17170 1 3 Chen-Kun Tsai . . . 17170 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17170 _Assembly.ID 1 _Assembly.Name tvMyb2_MRE-1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 22119 _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 tvMyb2 1 $tvMyb2_MRE-1 A . yes native no no . . . 17170 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tvMyb2_MRE-1 _Entity.Sf_category entity _Entity.Sf_framecode tvMyb2_MRE-1 _Entity.Entry_ID 17170 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name tvMyb2_MRE-1 _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 ; MVQVNLKAAKKQKFTPEEDE MLKRAVAQHGSDWKMIAATF PNRNARQCRDRWKNYLAPSI SHTPWTAEEDALLVQKIQEY GRQWAIIAKFFPGRTDIHIK NRWVTISNKLGIPQTQQMLE HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 126 _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 2015-11-25 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 no PDB 3OSF . "The Structure Of Protozoan Parasite Trichomonas Vaginalis Myb2 In Complex With Mre-2f-13 Dna" . . . . . 100.00 126 100.00 100.00 2.76e-88 . . . . 17170 1 2 no PDB 3OSG . "The Structure Of Protozoan Parasite Trichomonas Vaginalis Myb2 In Complex With Mre-1-12 Dna" . . . . . 100.00 126 100.00 100.00 2.76e-88 . . . . 17170 1 3 no GB AAX51242 . "MYB21 [Trichomonas vaginalis]" . . . . . 92.86 179 100.00 100.00 1.61e-80 . . . . 17170 1 4 no GB EAY06671 . "Myb-like DNA-binding domain containing protein [Trichomonas vaginalis G3]" . . . . . 92.86 179 100.00 100.00 1.61e-80 . . . . 17170 1 5 no REF XP_001318894 . "Myb-like DNA-binding domain containing protein [Trichomonas vaginalis G3]" . . . . . 92.86 179 100.00 100.00 1.61e-80 . . . . 17170 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription factor' 17170 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 . MET . 17170 1 2 . VAL . 17170 1 3 . GLN . 17170 1 4 . VAL . 17170 1 5 . ASN . 17170 1 6 . LEU . 17170 1 7 . LYS . 17170 1 8 . ALA . 17170 1 9 . ALA . 17170 1 10 . LYS . 17170 1 11 . LYS . 17170 1 12 . GLN . 17170 1 13 . LYS . 17170 1 14 . PHE . 17170 1 15 . THR . 17170 1 16 . PRO . 17170 1 17 . GLU . 17170 1 18 . GLU . 17170 1 19 . ASP . 17170 1 20 . GLU . 17170 1 21 . MET . 17170 1 22 . LEU . 17170 1 23 . LYS . 17170 1 24 . ARG . 17170 1 25 . ALA . 17170 1 26 . VAL . 17170 1 27 . ALA . 17170 1 28 . GLN . 17170 1 29 . HIS . 17170 1 30 . GLY . 17170 1 31 . SER . 17170 1 32 . ASP . 17170 1 33 . TRP . 17170 1 34 . LYS . 17170 1 35 . MET . 17170 1 36 . ILE . 17170 1 37 . ALA . 17170 1 38 . ALA . 17170 1 39 . THR . 17170 1 40 . PHE . 17170 1 41 . PRO . 17170 1 42 . ASN . 17170 1 43 . ARG . 17170 1 44 . ASN . 17170 1 45 . ALA . 17170 1 46 . ARG . 17170 1 47 . GLN . 17170 1 48 . CYS . 17170 1 49 . ARG . 17170 1 50 . ASP . 17170 1 51 . ARG . 17170 1 52 . TRP . 17170 1 53 . LYS . 17170 1 54 . ASN . 17170 1 55 . TYR . 17170 1 56 . LEU . 17170 1 57 . ALA . 17170 1 58 . PRO . 17170 1 59 . SER . 17170 1 60 . ILE . 17170 1 61 . SER . 17170 1 62 . HIS . 17170 1 63 . THR . 17170 1 64 . PRO . 17170 1 65 . TRP . 17170 1 66 . THR . 17170 1 67 . ALA . 17170 1 68 . GLU . 17170 1 69 . GLU . 17170 1 70 . ASP . 17170 1 71 . ALA . 17170 1 72 . LEU . 17170 1 73 . LEU . 17170 1 74 . VAL . 17170 1 75 . GLN . 17170 1 76 . LYS . 17170 1 77 . ILE . 17170 1 78 . GLN . 17170 1 79 . GLU . 17170 1 80 . TYR . 17170 1 81 . GLY . 17170 1 82 . ARG . 17170 1 83 . GLN . 17170 1 84 . TRP . 17170 1 85 . ALA . 17170 1 86 . ILE . 17170 1 87 . ILE . 17170 1 88 . ALA . 17170 1 89 . LYS . 17170 1 90 . PHE . 17170 1 91 . PHE . 17170 1 92 . PRO . 17170 1 93 . GLY . 17170 1 94 . ARG . 17170 1 95 . THR . 17170 1 96 . ASP . 17170 1 97 . ILE . 17170 1 98 . HIS . 17170 1 99 . ILE . 17170 1 100 . LYS . 17170 1 101 . ASN . 17170 1 102 . ARG . 17170 1 103 . TRP . 17170 1 104 . VAL . 17170 1 105 . THR . 17170 1 106 . ILE . 17170 1 107 . SER . 17170 1 108 . ASN . 17170 1 109 . LYS . 17170 1 110 . LEU . 17170 1 111 . GLY . 17170 1 112 . ILE . 17170 1 113 . PRO . 17170 1 114 . GLN . 17170 1 115 . THR . 17170 1 116 . GLN . 17170 1 117 . GLN . 17170 1 118 . MET . 17170 1 119 . LEU . 17170 1 120 . GLU . 17170 1 121 . HIS . 17170 1 122 . HIS . 17170 1 123 . HIS . 17170 1 124 . HIS . 17170 1 125 . HIS . 17170 1 126 . HIS . 17170 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 17170 1 . VAL 2 2 17170 1 . GLN 3 3 17170 1 . VAL 4 4 17170 1 . ASN 5 5 17170 1 . LEU 6 6 17170 1 . LYS 7 7 17170 1 . ALA 8 8 17170 1 . ALA 9 9 17170 1 . LYS 10 10 17170 1 . LYS 11 11 17170 1 . GLN 12 12 17170 1 . LYS 13 13 17170 1 . PHE 14 14 17170 1 . THR 15 15 17170 1 . PRO 16 16 17170 1 . GLU 17 17 17170 1 . GLU 18 18 17170 1 . ASP 19 19 17170 1 . GLU 20 20 17170 1 . MET 21 21 17170 1 . LEU 22 22 17170 1 . LYS 23 23 17170 1 . ARG 24 24 17170 1 . ALA 25 25 17170 1 . VAL 26 26 17170 1 . ALA 27 27 17170 1 . GLN 28 28 17170 1 . HIS 29 29 17170 1 . GLY 30 30 17170 1 . SER 31 31 17170 1 . ASP 32 32 17170 1 . TRP 33 33 17170 1 . LYS 34 34 17170 1 . MET 35 35 17170 1 . ILE 36 36 17170 1 . ALA 37 37 17170 1 . ALA 38 38 17170 1 . THR 39 39 17170 1 . PHE 40 40 17170 1 . PRO 41 41 17170 1 . ASN 42 42 17170 1 . ARG 43 43 17170 1 . ASN 44 44 17170 1 . ALA 45 45 17170 1 . ARG 46 46 17170 1 . GLN 47 47 17170 1 . CYS 48 48 17170 1 . ARG 49 49 17170 1 . ASP 50 50 17170 1 . ARG 51 51 17170 1 . TRP 52 52 17170 1 . LYS 53 53 17170 1 . ASN 54 54 17170 1 . TYR 55 55 17170 1 . LEU 56 56 17170 1 . ALA 57 57 17170 1 . PRO 58 58 17170 1 . SER 59 59 17170 1 . ILE 60 60 17170 1 . SER 61 61 17170 1 . HIS 62 62 17170 1 . THR 63 63 17170 1 . PRO 64 64 17170 1 . TRP 65 65 17170 1 . THR 66 66 17170 1 . ALA 67 67 17170 1 . GLU 68 68 17170 1 . GLU 69 69 17170 1 . ASP 70 70 17170 1 . ALA 71 71 17170 1 . LEU 72 72 17170 1 . LEU 73 73 17170 1 . VAL 74 74 17170 1 . GLN 75 75 17170 1 . LYS 76 76 17170 1 . ILE 77 77 17170 1 . GLN 78 78 17170 1 . GLU 79 79 17170 1 . TYR 80 80 17170 1 . GLY 81 81 17170 1 . ARG 82 82 17170 1 . GLN 83 83 17170 1 . TRP 84 84 17170 1 . ALA 85 85 17170 1 . ILE 86 86 17170 1 . ILE 87 87 17170 1 . ALA 88 88 17170 1 . LYS 89 89 17170 1 . PHE 90 90 17170 1 . PHE 91 91 17170 1 . PRO 92 92 17170 1 . GLY 93 93 17170 1 . ARG 94 94 17170 1 . THR 95 95 17170 1 . ASP 96 96 17170 1 . ILE 97 97 17170 1 . HIS 98 98 17170 1 . ILE 99 99 17170 1 . LYS 100 100 17170 1 . ASN 101 101 17170 1 . ARG 102 102 17170 1 . TRP 103 103 17170 1 . VAL 104 104 17170 1 . THR 105 105 17170 1 . ILE 106 106 17170 1 . SER 107 107 17170 1 . ASN 108 108 17170 1 . LYS 109 109 17170 1 . LEU 110 110 17170 1 . GLY 111 111 17170 1 . ILE 112 112 17170 1 . PRO 113 113 17170 1 . GLN 114 114 17170 1 . THR 115 115 17170 1 . GLN 116 116 17170 1 . GLN 117 117 17170 1 . MET 118 118 17170 1 . LEU 119 119 17170 1 . GLU 120 120 17170 1 . HIS 121 121 17170 1 . HIS 122 122 17170 1 . HIS 123 123 17170 1 . HIS 124 124 17170 1 . HIS 125 125 17170 1 . HIS 126 126 17170 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 17170 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $tvMyb2_MRE-1 . 5722 organism . 'Trichomonas vaginalis' 'Trichomonas vaginalis' . . Eukaryota . Trichomonas vaginalis . . . . . . . . . . . . . . . . . . . . . 17170 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 17170 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $tvMyb2_MRE-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-22b . . . . . . 17170 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17170 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17170 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17170 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17170 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17170 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17170 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17170 1 7 tvMyb2_MRE-1 '[U-100% 13C; U-100% 15N]' . . 1 $tvMyb2_MRE-1 . . 0.6 . . mM . . . . 17170 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 17170 _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 pH 6 . pH 17170 1 pressure 1 . atm 17170 1 temperature 310 . K 17170 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17170 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17170 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17170 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17170 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17170 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17170 2 'peak picking' 17170 2 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 17170 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17170 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17170 _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 Bruker Avance . 500 . . . 17170 1 2 spectrometer_2 Bruker Avance . 600 . . . 17170 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 17170 _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 . . . . . . . . . . . . . . . . . . . . . 17170 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17170 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17170 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17170 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17170 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17170 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17170 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17170 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17170 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 17170 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17170 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17170 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17170 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 17170 _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' . . . 17170 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.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 4 4 VAL H H 1 8.268 0.020 . 1 . . . . 4 Val H . 17170 1 2 . 1 1 4 4 VAL HA H 1 4.049 0.020 . 1 . . . . 4 Val HA . 17170 1 3 . 1 1 4 4 VAL HB H 1 2.004 0.020 . 1 . . . . 4 Val HB . 17170 1 4 . 1 1 4 4 VAL HG11 H 1 0.864 0.020 . 2 . . . . 4 Val QG1 . 17170 1 5 . 1 1 4 4 VAL HG12 H 1 0.864 0.020 . 2 . . . . 4 Val QG1 . 17170 1 6 . 1 1 4 4 VAL HG13 H 1 0.864 0.020 . 2 . . . . 4 Val QG1 . 17170 1 7 . 1 1 4 4 VAL HG21 H 1 0.873 0.020 . 2 . . . . 4 Val QG2 . 17170 1 8 . 1 1 4 4 VAL HG22 H 1 0.873 0.020 . 2 . . . . 4 Val QG2 . 17170 1 9 . 1 1 4 4 VAL HG23 H 1 0.873 0.020 . 2 . . . . 4 Val QG2 . 17170 1 10 . 1 1 4 4 VAL C C 13 175.426 0.300 . 1 . . . . 4 Val C . 17170 1 11 . 1 1 4 4 VAL CA C 13 62.516 0.300 . 1 . . . . 4 Val CA . 17170 1 12 . 1 1 4 4 VAL CB C 13 32.834 0.300 . 1 . . . . 4 Val CB . 17170 1 13 . 1 1 4 4 VAL CG1 C 13 20.927 0.300 . 2 . . . . 4 Val CG1 . 17170 1 14 . 1 1 4 4 VAL CG2 C 13 20.472 0.300 . 2 . . . . 4 Val CG2 . 17170 1 15 . 1 1 4 4 VAL N N 15 122.434 0.300 . 1 . . . . 4 Val N . 17170 1 16 . 1 1 5 5 ASN H H 1 8.471 0.020 . 1 . . . . 5 Asn H . 17170 1 17 . 1 1 5 5 ASN HA H 1 4.699 0.020 . 1 . . . . 5 Asn HA . 17170 1 18 . 1 1 5 5 ASN HB2 H 1 2.800 0.020 . 2 . . . . 5 Asn HB2 . 17170 1 19 . 1 1 5 5 ASN HB3 H 1 2.700 0.020 . 2 . . . . 5 Asn HB3 . 17170 1 20 . 1 1 5 5 ASN C C 13 174.835 0.300 . 1 . . . . 5 Asn C . 17170 1 21 . 1 1 5 5 ASN CA C 13 52.884 0.300 . 1 . . . . 5 Asn CA . 17170 1 22 . 1 1 5 5 ASN CB C 13 38.735 0.300 . 1 . . . . 5 Asn CB . 17170 1 23 . 1 1 5 5 ASN N N 15 122.380 0.300 . 1 . . . . 5 Asn N . 17170 1 24 . 1 1 6 6 LEU H H 1 8.205 0.020 . 1 . . . . 6 Leu H . 17170 1 25 . 1 1 6 6 LEU HA H 1 4.251 0.020 . 1 . . . . 6 Leu HA . 17170 1 26 . 1 1 6 6 LEU HB2 H 1 1.568 0.020 . 2 . . . . 6 Leu QB . 17170 1 27 . 1 1 6 6 LEU HB3 H 1 1.568 0.020 . 2 . . . . 6 Leu QB . 17170 1 28 . 1 1 6 6 LEU HD11 H 1 0.873 0.020 . 2 . . . . 6 Leu QD1 . 17170 1 29 . 1 1 6 6 LEU HD12 H 1 0.873 0.020 . 2 . . . . 6 Leu QD1 . 17170 1 30 . 1 1 6 6 LEU HD13 H 1 0.873 0.020 . 2 . . . . 6 Leu QD1 . 17170 1 31 . 1 1 6 6 LEU HD21 H 1 0.813 0.020 . 2 . . . . 6 Leu QD2 . 17170 1 32 . 1 1 6 6 LEU HD22 H 1 0.813 0.020 . 2 . . . . 6 Leu QD2 . 17170 1 33 . 1 1 6 6 LEU HD23 H 1 0.813 0.020 . 2 . . . . 6 Leu QD2 . 17170 1 34 . 1 1 6 6 LEU HG H 1 1.568 0.020 . 1 . . . . 6 Leu HG . 17170 1 35 . 1 1 6 6 LEU C C 13 177.067 0.300 . 1 . . . . 6 Leu C . 17170 1 36 . 1 1 6 6 LEU CA C 13 55.311 0.300 . 1 . . . . 6 Leu CA . 17170 1 37 . 1 1 6 6 LEU CB C 13 42.368 0.300 . 1 . . . . 6 Leu CB . 17170 1 38 . 1 1 6 6 LEU CD1 C 13 25.147 0.300 . 2 . . . . 6 Leu CD1 . 17170 1 39 . 1 1 6 6 LEU CD2 C 13 24.238 0.300 . 2 . . . . 6 Leu CD2 . 17170 1 40 . 1 1 6 6 LEU CG C 13 27.005 0.300 . 1 . . . . 6 Leu CG . 17170 1 41 . 1 1 6 6 LEU N N 15 123.549 0.300 . 1 . . . . 6 Leu N . 17170 1 42 . 1 1 7 7 LYS H H 1 8.155 0.020 . 1 . . . . 7 Lys H . 17170 1 43 . 1 1 7 7 LYS HA H 1 4.264 0.020 . 1 . . . . 7 Lys HA . 17170 1 44 . 1 1 7 7 LYS HB2 H 1 1.702 0.020 . 2 . . . . 7 Lys QB . 17170 1 45 . 1 1 7 7 LYS HB3 H 1 1.702 0.020 . 2 . . . . 7 Lys QB . 17170 1 46 . 1 1 7 7 LYS HD2 H 1 1.654 0.020 . 2 . . . . 7 Lys QD . 17170 1 47 . 1 1 7 7 LYS HD3 H 1 1.654 0.020 . 2 . . . . 7 Lys QD . 17170 1 48 . 1 1 7 7 LYS HE2 H 1 3.000 0.020 . 2 . . . . 7 Lys HE2 . 17170 1 49 . 1 1 7 7 LYS HE3 H 1 2.969 0.020 . 2 . . . . 7 Lys HE3 . 17170 1 50 . 1 1 7 7 LYS HG2 H 1 1.376 0.020 . 2 . . . . 7 Lys QG . 17170 1 51 . 1 1 7 7 LYS HG3 H 1 1.376 0.020 . 2 . . . . 7 Lys QG . 17170 1 52 . 1 1 7 7 LYS C C 13 175.853 0.300 . 1 . . . . 7 Lys C . 17170 1 53 . 1 1 7 7 LYS CA C 13 56.002 0.300 . 1 . . . . 7 Lys CA . 17170 1 54 . 1 1 7 7 LYS CB C 13 32.938 0.300 . 1 . . . . 7 Lys CB . 17170 1 55 . 1 1 7 7 LYS CD C 13 28.931 0.300 . 1 . . . . 7 Lys CD . 17170 1 56 . 1 1 7 7 LYS CE C 13 41.969 0.300 . 1 . . . . 7 Lys CE . 17170 1 57 . 1 1 7 7 LYS CG C 13 24.474 0.300 . 1 . . . . 7 Lys CG . 17170 1 58 . 1 1 7 7 LYS N N 15 121.836 0.300 . 1 . . . . 7 Lys N . 17170 1 59 . 1 1 8 8 ALA H H 1 8.159 0.020 . 1 . . . . 8 Ala H . 17170 1 60 . 1 1 8 8 ALA HA H 1 4.269 0.020 . 1 . . . . 8 Ala HA . 17170 1 61 . 1 1 8 8 ALA HB1 H 1 1.337 0.020 . 1 . . . . 8 Ala QB . 17170 1 62 . 1 1 8 8 ALA HB2 H 1 1.337 0.020 . 1 . . . . 8 Ala QB . 17170 1 63 . 1 1 8 8 ALA HB3 H 1 1.337 0.020 . 1 . . . . 8 Ala QB . 17170 1 64 . 1 1 8 8 ALA C C 13 176.919 0.300 . 1 . . . . 8 Ala C . 17170 1 65 . 1 1 8 8 ALA CA C 13 52.055 0.300 . 1 . . . . 8 Ala CA . 17170 1 66 . 1 1 8 8 ALA CB C 13 19.440 0.300 . 1 . . . . 8 Ala CB . 17170 1 67 . 1 1 8 8 ALA N N 15 125.759 0.300 . 1 . . . . 8 Ala N . 17170 1 68 . 1 1 9 9 ALA H H 1 8.204 0.020 . 1 . . . . 9 Ala H . 17170 1 69 . 1 1 9 9 ALA HA H 1 4.252 0.020 . 1 . . . . 9 Ala HA . 17170 1 70 . 1 1 9 9 ALA HB1 H 1 1.337 0.020 . 1 . . . . 9 Ala QB . 17170 1 71 . 1 1 9 9 ALA HB2 H 1 1.337 0.020 . 1 . . . . 9 Ala QB . 17170 1 72 . 1 1 9 9 ALA HB3 H 1 1.337 0.020 . 1 . . . . 9 Ala QB . 17170 1 73 . 1 1 9 9 ALA C C 13 176.940 0.300 . 1 . . . . 9 Ala C . 17170 1 74 . 1 1 9 9 ALA CA C 13 52.005 0.300 . 1 . . . . 9 Ala CA . 17170 1 75 . 1 1 9 9 ALA CB C 13 19.592 0.300 . 1 . . . . 9 Ala CB . 17170 1 76 . 1 1 9 9 ALA N N 15 124.279 0.300 . 1 . . . . 9 Ala N . 17170 1 77 . 1 1 10 10 LYS H H 1 8.251 0.020 . 1 . . . . 10 Lys H . 17170 1 78 . 1 1 10 10 LYS HA H 1 4.274 0.020 . 1 . . . . 10 Lys HA . 17170 1 79 . 1 1 10 10 LYS HB2 H 1 1.788 0.020 . 2 . . . . 10 Lys QB . 17170 1 80 . 1 1 10 10 LYS HB3 H 1 1.788 0.020 . 2 . . . . 10 Lys QB . 17170 1 81 . 1 1 10 10 LYS HD2 H 1 1.654 0.020 . 2 . . . . 10 Lys QD . 17170 1 82 . 1 1 10 10 LYS HD3 H 1 1.654 0.020 . 2 . . . . 10 Lys QD . 17170 1 83 . 1 1 10 10 LYS HE2 H 1 2.967 0.020 . 2 . . . . 10 Lys QE . 17170 1 84 . 1 1 10 10 LYS HE3 H 1 2.967 0.020 . 2 . . . . 10 Lys QE . 17170 1 85 . 1 1 10 10 LYS HG2 H 1 1.378 0.020 . 2 . . . . 10 Lys QG . 17170 1 86 . 1 1 10 10 LYS HG3 H 1 1.378 0.020 . 2 . . . . 10 Lys QG . 17170 1 87 . 1 1 10 10 LYS C C 13 176.854 0.300 . 1 . . . . 10 Lys C . 17170 1 88 . 1 1 10 10 LYS CA C 13 55.805 0.300 . 1 . . . . 10 Lys CA . 17170 1 89 . 1 1 10 10 LYS CB C 13 33.791 0.300 . 1 . . . . 10 Lys CB . 17170 1 90 . 1 1 10 10 LYS CD C 13 29.043 0.300 . 1 . . . . 10 Lys CD . 17170 1 91 . 1 1 10 10 LYS CE C 13 42.080 0.300 . 1 . . . . 10 Lys CE . 17170 1 92 . 1 1 10 10 LYS CG C 13 24.586 0.300 . 1 . . . . 10 Lys CG . 17170 1 93 . 1 1 10 10 LYS N N 15 119.998 0.300 . 1 . . . . 10 Lys N . 17170 1 94 . 1 1 11 11 LYS H H 1 8.276 0.020 . 1 . . . . 11 Lys H . 17170 1 95 . 1 1 11 11 LYS HA H 1 4.418 0.020 . 1 . . . . 11 Lys HA . 17170 1 96 . 1 1 11 11 LYS HB2 H 1 1.784 0.020 . 2 . . . . 11 Lys HB2 . 17170 1 97 . 1 1 11 11 LYS HB3 H 1 1.688 0.020 . 2 . . . . 11 Lys HB3 . 17170 1 98 . 1 1 11 11 LYS HD2 H 1 1.642 0.020 . 2 . . . . 11 Lys QD . 17170 1 99 . 1 1 11 11 LYS HD3 H 1 1.642 0.020 . 2 . . . . 11 Lys QD . 17170 1 100 . 1 1 11 11 LYS HE2 H 1 2.810 0.020 . 2 . . . . 11 Lys HE2 . 17170 1 101 . 1 1 11 11 LYS HE3 H 1 2.718 0.020 . 2 . . . . 11 Lys HE3 . 17170 1 102 . 1 1 11 11 LYS HG2 H 1 1.418 0.020 . 2 . . . . 11 Lys QG . 17170 1 103 . 1 1 11 11 LYS HG3 H 1 1.418 0.020 . 2 . . . . 11 Lys QG . 17170 1 104 . 1 1 11 11 LYS C C 13 175.771 0.300 . 1 . . . . 11 Lys C . 17170 1 105 . 1 1 11 11 LYS CA C 13 55.542 0.300 . 1 . . . . 11 Lys CA . 17170 1 106 . 1 1 11 11 LYS CB C 13 34.206 0.300 . 1 . . . . 11 Lys CB . 17170 1 107 . 1 1 11 11 LYS CD C 13 29.407 0.300 . 1 . . . . 11 Lys CD . 17170 1 108 . 1 1 11 11 LYS CE C 13 38.544 0.300 . 1 . . . . 11 Lys CE . 17170 1 109 . 1 1 11 11 LYS CG C 13 24.504 0.300 . 1 . . . . 11 Lys CG . 17170 1 110 . 1 1 11 11 LYS N N 15 119.681 0.300 . 1 . . . . 11 Lys N . 17170 1 111 . 1 1 12 12 GLN H H 1 9.844 0.020 . 1 . . . . 12 Gln H . 17170 1 112 . 1 1 12 12 GLN HA H 1 4.451 0.020 . 1 . . . . 12 Gln HA . 17170 1 113 . 1 1 12 12 GLN HB2 H 1 1.935 0.020 . 2 . . . . 12 Gln HB2 . 17170 1 114 . 1 1 12 12 GLN HB3 H 1 1.737 0.020 . 2 . . . . 12 Gln HB3 . 17170 1 115 . 1 1 12 12 GLN HG2 H 1 2.237 0.020 . 2 . . . . 12 Gln QG . 17170 1 116 . 1 1 12 12 GLN HG3 H 1 2.237 0.020 . 2 . . . . 12 Gln QG . 17170 1 117 . 1 1 12 12 GLN C C 13 176.427 0.300 . 1 . . . . 12 Gln C . 17170 1 118 . 1 1 12 12 GLN CA C 13 54.174 0.300 . 1 . . . . 12 Gln CA . 17170 1 119 . 1 1 12 12 GLN CB C 13 27.128 0.300 . 1 . . . . 12 Gln CB . 17170 1 120 . 1 1 12 12 GLN CG C 13 33.411 0.300 . 1 . . . . 12 Gln CG . 17170 1 121 . 1 1 12 12 GLN N N 15 128.706 0.300 . 1 . . . . 12 Gln N . 17170 1 122 . 1 1 13 13 LYS H H 1 8.090 0.020 . 1 . . . . 13 Lys H . 17170 1 123 . 1 1 13 13 LYS HA H 1 4.420 0.020 . 1 . . . . 13 Lys HA . 17170 1 124 . 1 1 13 13 LYS HB2 H 1 1.888 0.020 . 2 . . . . 13 Lys QB . 17170 1 125 . 1 1 13 13 LYS HB3 H 1 1.888 0.020 . 2 . . . . 13 Lys QB . 17170 1 126 . 1 1 13 13 LYS C C 13 177.937 0.300 . 1 . . . . 13 Lys C . 17170 1 127 . 1 1 13 13 LYS CA C 13 57.502 0.300 . 1 . . . . 13 Lys CA . 17170 1 128 . 1 1 13 13 LYS CB C 13 32.357 0.300 . 1 . . . . 13 Lys CB . 17170 1 129 . 1 1 13 13 LYS N N 15 126.091 0.300 . 1 . . . . 13 Lys N . 17170 1 130 . 1 1 14 14 PHE H H 1 10.070 0.020 . 1 . . . . 14 Phe H . 17170 1 131 . 1 1 14 14 PHE HA H 1 4.259 0.020 . 1 . . . . 14 Phe HA . 17170 1 132 . 1 1 14 14 PHE HB2 H 1 2.986 0.020 . 2 . . . . 14 Phe QB . 17170 1 133 . 1 1 14 14 PHE HB3 H 1 2.986 0.020 . 2 . . . . 14 Phe QB . 17170 1 134 . 1 1 14 14 PHE C C 13 178.708 0.300 . 1 . . . . 14 Phe C . 17170 1 135 . 1 1 14 14 PHE CA C 13 58.435 0.300 . 1 . . . . 14 Phe CA . 17170 1 136 . 1 1 14 14 PHE CB C 13 39.370 0.300 . 1 . . . . 14 Phe CB . 17170 1 137 . 1 1 14 14 PHE N N 15 125.468 0.300 . 1 . . . . 14 Phe N . 17170 1 138 . 1 1 15 15 THR H H 1 8.740 0.020 . 1 . . . . 15 Thr H . 17170 1 139 . 1 1 15 15 THR C C 13 173.982 0.300 . 1 . . . . 15 Thr C . 17170 1 140 . 1 1 15 15 THR CA C 13 59.200 0.300 . 1 . . . . 15 Thr CA . 17170 1 141 . 1 1 15 15 THR CB C 13 69.160 0.300 . 1 . . . . 15 Thr CB . 17170 1 142 . 1 1 15 15 THR CG2 C 13 22.135 0.300 . 1 . . . . 15 Thr CG2 . 17170 1 143 . 1 1 15 15 THR N N 15 117.200 0.300 . 1 . . . . 15 Thr N . 17170 1 144 . 1 1 16 16 PRO HA H 1 4.405 0.020 . 1 . . . . 16 Pro HA . 17170 1 145 . 1 1 16 16 PRO HB2 H 1 2.466 0.020 . 2 . . . . 16 Pro HB2 . 17170 1 146 . 1 1 16 16 PRO HB3 H 1 1.955 0.020 . 2 . . . . 16 Pro HB3 . 17170 1 147 . 1 1 16 16 PRO HD2 H 1 3.912 0.020 . 2 . . . . 16 Pro QD . 17170 1 148 . 1 1 16 16 PRO HD3 H 1 3.912 0.020 . 2 . . . . 16 Pro QD . 17170 1 149 . 1 1 16 16 PRO HG2 H 1 2.196 0.020 . 2 . . . . 16 Pro HG2 . 17170 1 150 . 1 1 16 16 PRO HG3 H 1 2.042 0.020 . 2 . . . . 16 Pro HG3 . 17170 1 151 . 1 1 16 16 PRO C C 13 179.714 0.300 . 1 . . . . 16 Pro C . 17170 1 152 . 1 1 16 16 PRO CA C 13 65.812 0.300 . 1 . . . . 16 Pro CA . 17170 1 153 . 1 1 16 16 PRO CB C 13 31.680 0.300 . 1 . . . . 16 Pro CB . 17170 1 154 . 1 1 16 16 PRO CD C 13 50.347 0.300 . 1 . . . . 16 Pro CD . 17170 1 155 . 1 1 17 17 GLU H H 1 8.548 0.020 . 1 . . . . 17 Glu H . 17170 1 156 . 1 1 17 17 GLU HA H 1 4.107 0.020 . 1 . . . . 17 Glu HA . 17170 1 157 . 1 1 17 17 GLU HB2 H 1 2.088 0.020 . 2 . . . . 17 Glu HB2 . 17170 1 158 . 1 1 17 17 GLU HB3 H 1 1.943 0.020 . 2 . . . . 17 Glu HB3 . 17170 1 159 . 1 1 17 17 GLU HG2 H 1 2.398 0.020 . 2 . . . . 17 Glu HG2 . 17170 1 160 . 1 1 17 17 GLU HG3 H 1 2.270 0.020 . 2 . . . . 17 Glu HG3 . 17170 1 161 . 1 1 17 17 GLU C C 13 179.899 0.300 . 1 . . . . 17 Glu C . 17170 1 162 . 1 1 17 17 GLU CA C 13 60.068 0.300 . 1 . . . . 17 Glu CA . 17170 1 163 . 1 1 17 17 GLU CB C 13 29.038 0.300 . 1 . . . . 17 Glu CB . 17170 1 164 . 1 1 17 17 GLU CG C 13 36.732 0.300 . 1 . . . . 17 Glu CG . 17170 1 165 . 1 1 17 17 GLU N N 15 117.529 0.300 . 1 . . . . 17 Glu N . 17170 1 166 . 1 1 18 18 GLU H H 1 7.928 0.020 . 1 . . . . 18 Glu H . 17170 1 167 . 1 1 18 18 GLU HA H 1 4.400 0.020 . 1 . . . . 18 Glu HA . 17170 1 168 . 1 1 18 18 GLU HB2 H 1 2.625 0.020 . 2 . . . . 18 Glu HB2 . 17170 1 169 . 1 1 18 18 GLU HB3 H 1 2.200 0.020 . 2 . . . . 18 Glu HB3 . 17170 1 170 . 1 1 18 18 GLU HG2 H 1 2.418 0.020 . 2 . . . . 18 Glu QG . 17170 1 171 . 1 1 18 18 GLU HG3 H 1 2.418 0.020 . 2 . . . . 18 Glu QG . 17170 1 172 . 1 1 18 18 GLU C C 13 179.221 0.300 . 1 . . . . 18 Glu C . 17170 1 173 . 1 1 18 18 GLU CA C 13 59.753 0.300 . 1 . . . . 18 Glu CA . 17170 1 174 . 1 1 18 18 GLU CB C 13 32.691 0.300 . 1 . . . . 18 Glu CB . 17170 1 175 . 1 1 18 18 GLU CG C 13 38.403 0.300 . 1 . . . . 18 Glu CG . 17170 1 176 . 1 1 18 18 GLU N N 15 121.381 0.300 . 1 . . . . 18 Glu N . 17170 1 177 . 1 1 19 19 ASP H H 1 8.824 0.020 . 1 . . . . 19 Asp H . 17170 1 178 . 1 1 19 19 ASP HA H 1 4.628 0.020 . 1 . . . . 19 Asp HA . 17170 1 179 . 1 1 19 19 ASP HB2 H 1 2.797 0.020 . 2 . . . . 19 Asp HB2 . 17170 1 180 . 1 1 19 19 ASP HB3 H 1 2.487 0.020 . 2 . . . . 19 Asp HB3 . 17170 1 181 . 1 1 19 19 ASP C C 13 179.264 0.300 . 1 . . . . 19 Asp C . 17170 1 182 . 1 1 19 19 ASP CA C 13 57.776 0.300 . 1 . . . . 19 Asp CA . 17170 1 183 . 1 1 19 19 ASP CB C 13 40.571 0.300 . 1 . . . . 19 Asp CB . 17170 1 184 . 1 1 19 19 ASP N N 15 121.811 0.300 . 1 . . . . 19 Asp N . 17170 1 185 . 1 1 20 20 GLU H H 1 7.882 0.020 . 1 . . . . 20 Glu H . 17170 1 186 . 1 1 20 20 GLU HA H 1 4.101 0.020 . 1 . . . . 20 Glu HA . 17170 1 187 . 1 1 20 20 GLU HB2 H 1 2.013 0.020 . 2 . . . . 20 Glu QB . 17170 1 188 . 1 1 20 20 GLU HB3 H 1 2.013 0.020 . 2 . . . . 20 Glu QB . 17170 1 189 . 1 1 20 20 GLU HG2 H 1 2.320 0.020 . 2 . . . . 20 Glu QG . 17170 1 190 . 1 1 20 20 GLU HG3 H 1 2.320 0.020 . 2 . . . . 20 Glu QG . 17170 1 191 . 1 1 20 20 GLU C C 13 179.779 0.300 . 1 . . . . 20 Glu C . 17170 1 192 . 1 1 20 20 GLU CA C 13 59.200 0.300 . 1 . . . . 20 Glu CA . 17170 1 193 . 1 1 20 20 GLU CB C 13 28.921 0.300 . 1 . . . . 20 Glu CB . 17170 1 194 . 1 1 20 20 GLU CG C 13 33.946 0.300 . 1 . . . . 20 Glu CG . 17170 1 195 . 1 1 20 20 GLU N N 15 119.052 0.300 . 1 . . . . 20 Glu N . 17170 1 196 . 1 1 21 21 MET H H 1 8.009 0.020 . 1 . . . . 21 Met H . 17170 1 197 . 1 1 21 21 MET HA H 1 4.005 0.020 . 1 . . . . 21 Met HA . 17170 1 198 . 1 1 21 21 MET HB2 H 1 2.409 0.020 . 2 . . . . 21 Met HB2 . 17170 1 199 . 1 1 21 21 MET HB3 H 1 2.030 0.020 . 2 . . . . 21 Met HB3 . 17170 1 200 . 1 1 21 21 MET HG2 H 1 2.651 0.020 . 2 . . . . 21 Met QG . 17170 1 201 . 1 1 21 21 MET HG3 H 1 2.651 0.020 . 2 . . . . 21 Met QG . 17170 1 202 . 1 1 21 21 MET C C 13 179.267 0.300 . 1 . . . . 21 Met C . 17170 1 203 . 1 1 21 21 MET CA C 13 59.526 0.300 . 1 . . . . 21 Met CA . 17170 1 204 . 1 1 21 21 MET CB C 13 33.409 0.300 . 1 . . . . 21 Met CB . 17170 1 205 . 1 1 21 21 MET CG C 13 32.246 0.300 . 1 . . . . 21 Met CG . 17170 1 206 . 1 1 21 21 MET N N 15 119.516 0.300 . 1 . . . . 21 Met N . 17170 1 207 . 1 1 22 22 LEU H H 1 9.286 0.020 . 1 . . . . 22 Leu H . 17170 1 208 . 1 1 22 22 LEU HA H 1 4.377 0.020 . 1 . . . . 22 Leu HA . 17170 1 209 . 1 1 22 22 LEU HB2 H 1 2.497 0.020 . 2 . . . . 22 Leu HB2 . 17170 1 210 . 1 1 22 22 LEU HB3 H 1 2.016 0.020 . 2 . . . . 22 Leu HB3 . 17170 1 211 . 1 1 22 22 LEU HD11 H 1 1.157 0.020 . 2 . . . . 22 Leu QQD . 17170 1 212 . 1 1 22 22 LEU HD12 H 1 1.157 0.020 . 2 . . . . 22 Leu QQD . 17170 1 213 . 1 1 22 22 LEU HD13 H 1 1.157 0.020 . 2 . . . . 22 Leu QQD . 17170 1 214 . 1 1 22 22 LEU HD21 H 1 1.157 0.020 . 2 . . . . 22 Leu QQD . 17170 1 215 . 1 1 22 22 LEU HD22 H 1 1.157 0.020 . 2 . . . . 22 Leu QQD . 17170 1 216 . 1 1 22 22 LEU HD23 H 1 1.157 0.020 . 2 . . . . 22 Leu QQD . 17170 1 217 . 1 1 22 22 LEU HG H 1 0.458 0.020 . 1 . . . . 22 Leu HG . 17170 1 218 . 1 1 22 22 LEU C C 13 177.845 0.300 . 1 . . . . 22 Leu C . 17170 1 219 . 1 1 22 22 LEU CA C 13 58.565 0.300 . 1 . . . . 22 Leu CA . 17170 1 220 . 1 1 22 22 LEU CB C 13 41.102 0.300 . 1 . . . . 22 Leu CB . 17170 1 221 . 1 1 22 22 LEU CD1 C 13 27.211 0.300 . 2 . . . . 22 Leu CD1 . 17170 1 222 . 1 1 22 22 LEU CD2 C 13 22.530 0.300 . 2 . . . . 22 Leu CD2 . 17170 1 223 . 1 1 22 22 LEU CG C 13 30.084 0.300 . 1 . . . . 22 Leu CG . 17170 1 224 . 1 1 22 22 LEU N N 15 123.524 0.300 . 1 . . . . 22 Leu N . 17170 1 225 . 1 1 23 23 LYS H H 1 8.610 0.020 . 1 . . . . 23 Lys H . 17170 1 226 . 1 1 23 23 LYS HA H 1 4.077 0.020 . 1 . . . . 23 Lys HA . 17170 1 227 . 1 1 23 23 LYS HB2 H 1 2.100 0.020 . 2 . . . . 23 Lys QB . 17170 1 228 . 1 1 23 23 LYS HB3 H 1 2.100 0.020 . 2 . . . . 23 Lys QB . 17170 1 229 . 1 1 23 23 LYS HD2 H 1 1.713 0.020 . 2 . . . . 23 Lys QD . 17170 1 230 . 1 1 23 23 LYS HD3 H 1 1.713 0.020 . 2 . . . . 23 Lys QD . 17170 1 231 . 1 1 23 23 LYS HE2 H 1 3.020 0.020 . 2 . . . . 23 Lys QE . 17170 1 232 . 1 1 23 23 LYS HE3 H 1 3.020 0.020 . 2 . . . . 23 Lys QE . 17170 1 233 . 1 1 23 23 LYS HG2 H 1 1.550 0.020 . 2 . . . . 23 Lys HG2 . 17170 1 234 . 1 1 23 23 LYS HG3 H 1 1.400 0.020 . 2 . . . . 23 Lys HG3 . 17170 1 235 . 1 1 23 23 LYS C C 13 180.091 0.300 . 1 . . . . 23 Lys C . 17170 1 236 . 1 1 23 23 LYS CA C 13 60.976 0.300 . 1 . . . . 23 Lys CA . 17170 1 237 . 1 1 23 23 LYS CB C 13 32.740 0.300 . 1 . . . . 23 Lys CB . 17170 1 238 . 1 1 23 23 LYS CD C 13 29.154 0.300 . 1 . . . . 23 Lys CD . 17170 1 239 . 1 1 23 23 LYS CE C 13 42.303 0.300 . 1 . . . . 23 Lys CE . 17170 1 240 . 1 1 23 23 LYS CG C 13 25.143 0.300 . 1 . . . . 23 Lys CG . 17170 1 241 . 1 1 23 23 LYS N N 15 118.871 0.300 . 1 . . . . 23 Lys N . 17170 1 242 . 1 1 24 24 ARG H H 1 7.854 0.020 . 1 . . . . 24 Arg H . 17170 1 243 . 1 1 24 24 ARG HA H 1 4.043 0.020 . 1 . . . . 24 Arg HA . 17170 1 244 . 1 1 24 24 ARG HB2 H 1 1.920 0.020 . 2 . . . . 24 Arg HB2 . 17170 1 245 . 1 1 24 24 ARG HB3 H 1 1.843 0.020 . 2 . . . . 24 Arg HB3 . 17170 1 246 . 1 1 24 24 ARG HD2 H 1 3.208 0.020 . 2 . . . . 24 Arg HD2 . 17170 1 247 . 1 1 24 24 ARG HD3 H 1 3.135 0.020 . 2 . . . . 24 Arg HD3 . 17170 1 248 . 1 1 24 24 ARG HG2 H 1 1.595 0.020 . 2 . . . . 24 Arg QG . 17170 1 249 . 1 1 24 24 ARG HG3 H 1 1.595 0.020 . 2 . . . . 24 Arg QG . 17170 1 250 . 1 1 24 24 ARG C C 13 178.335 0.300 . 1 . . . . 24 Arg C . 17170 1 251 . 1 1 24 24 ARG CA C 13 59.540 0.300 . 1 . . . . 24 Arg CA . 17170 1 252 . 1 1 24 24 ARG CB C 13 29.912 0.300 . 1 . . . . 24 Arg CB . 17170 1 253 . 1 1 24 24 ARG CD C 13 43.545 0.300 . 1 . . . . 24 Arg CD . 17170 1 254 . 1 1 24 24 ARG CG C 13 27.482 0.300 . 1 . . . . 24 Arg CG . 17170 1 255 . 1 1 24 24 ARG N N 15 118.809 0.300 . 1 . . . . 24 Arg N . 17170 1 256 . 1 1 25 25 ALA H H 1 8.382 0.020 . 1 . . . . 25 Ala H . 17170 1 257 . 1 1 25 25 ALA HA H 1 4.247 0.020 . 1 . . . . 25 Ala HA . 17170 1 258 . 1 1 25 25 ALA HB1 H 1 1.673 0.020 . 1 . . . . 25 Ala QB . 17170 1 259 . 1 1 25 25 ALA HB2 H 1 1.673 0.020 . 1 . . . . 25 Ala QB . 17170 1 260 . 1 1 25 25 ALA HB3 H 1 1.673 0.020 . 1 . . . . 25 Ala QB . 17170 1 261 . 1 1 25 25 ALA C C 13 180.050 0.300 . 1 . . . . 25 Ala C . 17170 1 262 . 1 1 25 25 ALA CA C 13 54.976 0.300 . 1 . . . . 25 Ala CA . 17170 1 263 . 1 1 25 25 ALA CB C 13 19.657 0.300 . 1 . . . . 25 Ala CB . 17170 1 264 . 1 1 25 25 ALA N N 15 123.227 0.300 . 1 . . . . 25 Ala N . 17170 1 265 . 1 1 26 26 VAL H H 1 8.545 0.020 . 1 . . . . 26 Val H . 17170 1 266 . 1 1 26 26 VAL HA H 1 3.339 0.020 . 1 . . . . 26 Val HA . 17170 1 267 . 1 1 26 26 VAL HB H 1 1.294 0.020 . 1 . . . . 26 Val HB . 17170 1 268 . 1 1 26 26 VAL HG11 H 1 0.293 0.020 . 2 . . . . 26 Val QG1 . 17170 1 269 . 1 1 26 26 VAL HG12 H 1 0.293 0.020 . 2 . . . . 26 Val QG1 . 17170 1 270 . 1 1 26 26 VAL HG13 H 1 0.293 0.020 . 2 . . . . 26 Val QG1 . 17170 1 271 . 1 1 26 26 VAL C C 13 179.254 0.300 . 1 . . . . 26 Val C . 17170 1 272 . 1 1 26 26 VAL CA C 13 65.494 0.300 . 1 . . . . 26 Val CA . 17170 1 273 . 1 1 26 26 VAL CB C 13 31.615 0.300 . 1 . . . . 26 Val CB . 17170 1 274 . 1 1 26 26 VAL CG1 C 13 22.748 0.300 . 2 . . . . 26 Val CG1 . 17170 1 275 . 1 1 26 26 VAL CG2 C 13 19.741 0.300 . 2 . . . . 26 Val CG2 . 17170 1 276 . 1 1 26 26 VAL N N 15 120.984 0.300 . 1 . . . . 26 Val N . 17170 1 277 . 1 1 27 27 ALA H H 1 7.477 0.020 . 1 . . . . 27 Ala H . 17170 1 278 . 1 1 27 27 ALA HA H 1 4.046 0.020 . 1 . . . . 27 Ala HA . 17170 1 279 . 1 1 27 27 ALA HB1 H 1 1.477 0.020 . 1 . . . . 27 Ala QB . 17170 1 280 . 1 1 27 27 ALA HB2 H 1 1.477 0.020 . 1 . . . . 27 Ala QB . 17170 1 281 . 1 1 27 27 ALA HB3 H 1 1.477 0.020 . 1 . . . . 27 Ala QB . 17170 1 282 . 1 1 27 27 ALA C C 13 179.237 0.300 . 1 . . . . 27 Ala C . 17170 1 283 . 1 1 27 27 ALA CA C 13 55.021 0.300 . 1 . . . . 27 Ala CA . 17170 1 284 . 1 1 27 27 ALA CB C 13 17.803 0.300 . 1 . . . . 27 Ala CB . 17170 1 285 . 1 1 27 27 ALA N N 15 122.623 0.300 . 1 . . . . 27 Ala N . 17170 1 286 . 1 1 28 28 GLN H H 1 7.274 0.020 . 1 . . . . 28 Gln H . 17170 1 287 . 1 1 28 28 GLN HA H 1 3.949 0.020 . 1 . . . . 28 Gln HA . 17170 1 288 . 1 1 28 28 GLN HB2 H 1 1.693 0.020 . 2 . . . . 28 Gln HB2 . 17170 1 289 . 1 1 28 28 GLN HB3 H 1 1.352 0.020 . 2 . . . . 28 Gln HB3 . 17170 1 290 . 1 1 28 28 GLN HG2 H 1 2.023 0.020 . 2 . . . . 28 Gln HG2 . 17170 1 291 . 1 1 28 28 GLN HG3 H 1 1.792 0.020 . 2 . . . . 28 Gln HG3 . 17170 1 292 . 1 1 28 28 GLN C C 13 177.416 0.300 . 1 . . . . 28 Gln C . 17170 1 293 . 1 1 28 28 GLN CA C 13 57.768 0.300 . 1 . . . . 28 Gln CA . 17170 1 294 . 1 1 28 28 GLN CB C 13 29.851 0.300 . 1 . . . . 28 Gln CB . 17170 1 295 . 1 1 28 28 GLN CG C 13 33.415 0.300 . 1 . . . . 28 Gln CG . 17170 1 296 . 1 1 28 28 GLN N N 15 114.085 0.300 . 1 . . . . 28 Gln N . 17170 1 297 . 1 1 29 29 HIS H H 1 8.352 0.020 . 1 . . . . 29 His H . 17170 1 298 . 1 1 29 29 HIS HA H 1 4.721 0.020 . 1 . . . . 29 His HA . 17170 1 299 . 1 1 29 29 HIS HB2 H 1 3.057 0.020 . 2 . . . . 29 His HB2 . 17170 1 300 . 1 1 29 29 HIS HB3 H 1 2.608 0.020 . 2 . . . . 29 His HB3 . 17170 1 301 . 1 1 29 29 HIS C C 13 176.053 0.300 . 1 . . . . 29 His C . 17170 1 302 . 1 1 29 29 HIS CA C 13 55.450 0.300 . 1 . . . . 29 His CA . 17170 1 303 . 1 1 29 29 HIS CB C 13 31.120 0.300 . 1 . . . . 29 His CB . 17170 1 304 . 1 1 29 29 HIS N N 15 114.124 0.300 . 1 . . . . 29 His N . 17170 1 305 . 1 1 30 30 GLY H H 1 8.446 0.020 . 1 . . . . 30 Gly H . 17170 1 306 . 1 1 30 30 GLY HA2 H 1 3.684 0.020 . 2 . . . . 30 Gly HA2 . 17170 1 307 . 1 1 30 30 GLY HA3 H 1 3.412 0.020 . 2 . . . . 30 Gly HA3 . 17170 1 308 . 1 1 30 30 GLY C C 13 172.049 0.300 . 1 . . . . 30 Gly C . 17170 1 309 . 1 1 30 30 GLY CA C 13 46.883 0.300 . 1 . . . . 30 Gly CA . 17170 1 310 . 1 1 30 30 GLY N N 15 112.943 0.300 . 1 . . . . 30 Gly N . 17170 1 311 . 1 1 31 31 SER H H 1 7.906 0.020 . 1 . . . . 31 Ser H . 17170 1 312 . 1 1 31 31 SER HA H 1 3.256 0.020 . 1 . . . . 31 Ser HA . 17170 1 313 . 1 1 31 31 SER HB2 H 1 3.857 0.020 . 2 . . . . 31 Ser HB2 . 17170 1 314 . 1 1 31 31 SER HB3 H 1 3.622 0.020 . 2 . . . . 31 Ser HB3 . 17170 1 315 . 1 1 31 31 SER C C 13 179.747 0.300 . 1 . . . . 31 Ser C . 17170 1 316 . 1 1 31 31 SER CA C 13 55.965 0.300 . 1 . . . . 31 Ser CA . 17170 1 317 . 1 1 31 31 SER CB C 13 62.561 0.300 . 1 . . . . 31 Ser CB . 17170 1 318 . 1 1 31 31 SER N N 15 116.815 0.300 . 1 . . . . 31 Ser N . 17170 1 319 . 1 1 32 32 ASP H H 1 6.807 0.020 . 1 . . . . 32 Asp H . 17170 1 320 . 1 1 32 32 ASP HA H 1 4.525 0.020 . 1 . . . . 32 Asp HA . 17170 1 321 . 1 1 32 32 ASP HB2 H 1 2.780 0.020 . 2 . . . . 32 Asp HB2 . 17170 1 322 . 1 1 32 32 ASP HB3 H 1 2.351 0.020 . 2 . . . . 32 Asp HB3 . 17170 1 323 . 1 1 32 32 ASP C C 13 176.086 0.300 . 1 . . . . 32 Asp C . 17170 1 324 . 1 1 32 32 ASP CA C 13 51.726 0.300 . 1 . . . . 32 Asp CA . 17170 1 325 . 1 1 32 32 ASP CB C 13 38.625 0.300 . 1 . . . . 32 Asp CB . 17170 1 326 . 1 1 32 32 ASP N N 15 120.114 0.300 . 1 . . . . 32 Asp N . 17170 1 327 . 1 1 33 33 TRP H H 1 7.430 0.020 . 1 . . . . 33 Trp H . 17170 1 328 . 1 1 33 33 TRP HA H 1 4.285 0.020 . 1 . . . . 33 Trp HA . 17170 1 329 . 1 1 33 33 TRP HB2 H 1 3.550 0.020 . 2 . . . . 33 Trp HB2 . 17170 1 330 . 1 1 33 33 TRP HB3 H 1 3.168 0.020 . 2 . . . . 33 Trp HB3 . 17170 1 331 . 1 1 33 33 TRP C C 13 177.678 0.300 . 1 . . . . 33 Trp C . 17170 1 332 . 1 1 33 33 TRP CA C 13 60.160 0.300 . 1 . . . . 33 Trp CA . 17170 1 333 . 1 1 33 33 TRP CB C 13 29.287 0.300 . 1 . . . . 33 Trp CB . 17170 1 334 . 1 1 33 33 TRP N N 15 124.674 0.300 . 1 . . . . 33 Trp N . 17170 1 335 . 1 1 34 34 LYS H H 1 8.310 0.020 . 1 . . . . 34 Lys H . 17170 1 336 . 1 1 34 34 LYS HA H 1 4.045 0.020 . 1 . . . . 34 Lys HA . 17170 1 337 . 1 1 34 34 LYS HB2 H 1 1.850 0.020 . 2 . . . . 34 Lys QB . 17170 1 338 . 1 1 34 34 LYS HB3 H 1 1.850 0.020 . 2 . . . . 34 Lys QB . 17170 1 339 . 1 1 34 34 LYS HD2 H 1 1.712 0.020 . 2 . . . . 34 Lys HD2 . 17170 1 340 . 1 1 34 34 LYS HD3 H 1 1.666 0.020 . 2 . . . . 34 Lys HD3 . 17170 1 341 . 1 1 34 34 LYS HE2 H 1 3.031 0.020 . 2 . . . . 34 Lys QE . 17170 1 342 . 1 1 34 34 LYS HE3 H 1 3.031 0.020 . 2 . . . . 34 Lys QE . 17170 1 343 . 1 1 34 34 LYS HG2 H 1 1.370 0.020 . 2 . . . . 34 Lys QG . 17170 1 344 . 1 1 34 34 LYS HG3 H 1 1.370 0.020 . 2 . . . . 34 Lys QG . 17170 1 345 . 1 1 34 34 LYS C C 13 179.316 0.300 . 1 . . . . 34 Lys C . 17170 1 346 . 1 1 34 34 LYS CA C 13 59.950 0.300 . 1 . . . . 34 Lys CA . 17170 1 347 . 1 1 34 34 LYS CB C 13 31.980 0.300 . 1 . . . . 34 Lys CB . 17170 1 348 . 1 1 34 34 LYS CD C 13 28.820 0.300 . 1 . . . . 34 Lys CD . 17170 1 349 . 1 1 34 34 LYS CE C 13 42.080 0.300 . 1 . . . . 34 Lys CE . 17170 1 350 . 1 1 34 34 LYS CG C 13 25.031 0.300 . 1 . . . . 34 Lys CG . 17170 1 351 . 1 1 34 34 LYS N N 15 118.679 0.300 . 1 . . . . 34 Lys N . 17170 1 352 . 1 1 35 35 MET H H 1 7.309 0.020 . 1 . . . . 35 Met H . 17170 1 353 . 1 1 35 35 MET HA H 1 4.085 0.020 . 1 . . . . 35 Met HA . 17170 1 354 . 1 1 35 35 MET HB2 H 1 2.147 0.020 . 2 . . . . 35 Met HB2 . 17170 1 355 . 1 1 35 35 MET HB3 H 1 2.076 0.020 . 2 . . . . 35 Met HB3 . 17170 1 356 . 1 1 35 35 MET C C 13 178.811 0.300 . 1 . . . . 35 Met C . 17170 1 357 . 1 1 35 35 MET CA C 13 57.135 0.300 . 1 . . . . 35 Met CA . 17170 1 358 . 1 1 35 35 MET CB C 13 31.745 0.300 . 1 . . . . 35 Met CB . 17170 1 359 . 1 1 35 35 MET N N 15 119.829 0.300 . 1 . . . . 35 Met N . 17170 1 360 . 1 1 36 36 ILE H H 1 8.118 0.020 . 1 . . . . 36 Ile H . 17170 1 361 . 1 1 36 36 ILE HA H 1 3.339 0.020 . 1 . . . . 36 Ile HA . 17170 1 362 . 1 1 36 36 ILE HB H 1 1.816 0.020 . 1 . . . . 36 Ile HB . 17170 1 363 . 1 1 36 36 ILE HD11 H 1 0.018 0.020 . 1 . . . . 36 Ile QD1 . 17170 1 364 . 1 1 36 36 ILE HD12 H 1 0.018 0.020 . 1 . . . . 36 Ile QD1 . 17170 1 365 . 1 1 36 36 ILE HD13 H 1 0.018 0.020 . 1 . . . . 36 Ile QD1 . 17170 1 366 . 1 1 36 36 ILE HG12 H 1 1.397 0.020 . 2 . . . . 36 Ile HG12 . 17170 1 367 . 1 1 36 36 ILE HG13 H 1 1.374 0.020 . 2 . . . . 36 Ile HG13 . 17170 1 368 . 1 1 36 36 ILE HG21 H 1 1.089 0.020 . 1 . . . . 36 Ile QG2 . 17170 1 369 . 1 1 36 36 ILE HG22 H 1 1.089 0.020 . 1 . . . . 36 Ile QG2 . 17170 1 370 . 1 1 36 36 ILE HG23 H 1 1.089 0.020 . 1 . . . . 36 Ile QG2 . 17170 1 371 . 1 1 36 36 ILE C C 13 178.836 0.300 . 1 . . . . 36 Ile C . 17170 1 372 . 1 1 36 36 ILE CA C 13 65.531 0.300 . 1 . . . . 36 Ile CA . 17170 1 373 . 1 1 36 36 ILE CB C 13 38.236 0.300 . 1 . . . . 36 Ile CB . 17170 1 374 . 1 1 36 36 ILE CD1 C 13 13.244 0.300 . 1 . . . . 36 Ile CD1 . 17170 1 375 . 1 1 36 36 ILE CG1 C 13 30.437 0.300 . 1 . . . . 36 Ile CG1 . 17170 1 376 . 1 1 36 36 ILE CG2 C 13 17.131 0.300 . 1 . . . . 36 Ile CG2 . 17170 1 377 . 1 1 36 36 ILE N N 15 120.349 0.300 . 1 . . . . 36 Ile N . 17170 1 378 . 1 1 37 37 ALA H H 1 8.692 0.020 . 1 . . . . 37 Ala H . 17170 1 379 . 1 1 37 37 ALA HA H 1 4.246 0.020 . 1 . . . . 37 Ala HA . 17170 1 380 . 1 1 37 37 ALA HB1 H 1 1.482 0.020 . 1 . . . . 37 Ala QB . 17170 1 381 . 1 1 37 37 ALA HB2 H 1 1.482 0.020 . 1 . . . . 37 Ala QB . 17170 1 382 . 1 1 37 37 ALA HB3 H 1 1.482 0.020 . 1 . . . . 37 Ala QB . 17170 1 383 . 1 1 37 37 ALA C C 13 178.889 0.300 . 1 . . . . 37 Ala C . 17170 1 384 . 1 1 37 37 ALA CA C 13 55.788 0.300 . 1 . . . . 37 Ala CA . 17170 1 385 . 1 1 37 37 ALA CB C 13 17.909 0.300 . 1 . . . . 37 Ala CB . 17170 1 386 . 1 1 37 37 ALA N N 15 122.394 0.300 . 1 . . . . 37 Ala N . 17170 1 387 . 1 1 38 38 ALA H H 1 7.282 0.020 . 1 . . . . 38 Ala H . 17170 1 388 . 1 1 38 38 ALA HA H 1 4.278 0.020 . 1 . . . . 38 Ala HA . 17170 1 389 . 1 1 38 38 ALA HB1 H 1 1.476 0.020 . 1 . . . . 38 Ala QB . 17170 1 390 . 1 1 38 38 ALA HB2 H 1 1.476 0.020 . 1 . . . . 38 Ala QB . 17170 1 391 . 1 1 38 38 ALA HB3 H 1 1.476 0.020 . 1 . . . . 38 Ala QB . 17170 1 392 . 1 1 38 38 ALA C C 13 178.413 0.300 . 1 . . . . 38 Ala C . 17170 1 393 . 1 1 38 38 ALA CA C 13 54.136 0.300 . 1 . . . . 38 Ala CA . 17170 1 394 . 1 1 38 38 ALA CB C 13 17.818 0.300 . 1 . . . . 38 Ala CB . 17170 1 395 . 1 1 38 38 ALA N N 15 117.743 0.300 . 1 . . . . 38 Ala N . 17170 1 396 . 1 1 39 39 THR H H 1 7.617 0.020 . 1 . . . . 39 Thr H . 17170 1 397 . 1 1 39 39 THR HA H 1 4.521 0.020 . 1 . . . . 39 Thr HA . 17170 1 398 . 1 1 39 39 THR HB H 1 4.096 0.020 . 1 . . . . 39 Thr HB . 17170 1 399 . 1 1 39 39 THR HG21 H 1 1.143 0.020 . 1 . . . . 39 Thr QG2 . 17170 1 400 . 1 1 39 39 THR HG22 H 1 1.143 0.020 . 1 . . . . 39 Thr QG2 . 17170 1 401 . 1 1 39 39 THR HG23 H 1 1.143 0.020 . 1 . . . . 39 Thr QG2 . 17170 1 402 . 1 1 39 39 THR C C 13 173.735 0.300 . 1 . . . . 39 Thr C . 17170 1 403 . 1 1 39 39 THR CA C 13 62.728 0.300 . 1 . . . . 39 Thr CA . 17170 1 404 . 1 1 39 39 THR CB C 13 69.103 0.300 . 1 . . . . 39 Thr CB . 17170 1 405 . 1 1 39 39 THR CG2 C 13 22.007 0.300 . 1 . . . . 39 Thr CG2 . 17170 1 406 . 1 1 39 39 THR N N 15 110.049 0.300 . 1 . . . . 39 Thr N . 17170 1 407 . 1 1 40 40 PHE H H 1 7.842 0.020 . 1 . . . . 40 Phe H . 17170 1 408 . 1 1 40 40 PHE HA H 1 4.740 0.020 . 1 . . . . 40 Phe HA . 17170 1 409 . 1 1 40 40 PHE HB2 H 1 3.098 0.020 . 2 . . . . 40 Phe QB . 17170 1 410 . 1 1 40 40 PHE HB3 H 1 3.098 0.020 . 2 . . . . 40 Phe QB . 17170 1 411 . 1 1 40 40 PHE C C 13 174.573 0.300 . 1 . . . . 40 Phe C . 17170 1 412 . 1 1 40 40 PHE CA C 13 55.548 0.300 . 1 . . . . 40 Phe CA . 17170 1 413 . 1 1 40 40 PHE CB C 13 40.552 0.300 . 1 . . . . 40 Phe CB . 17170 1 414 . 1 1 40 40 PHE N N 15 121.053 0.300 . 1 . . . . 40 Phe N . 17170 1 415 . 1 1 41 41 PRO HA H 1 4.319 0.020 . 1 . . . . 41 Pro HA . 17170 1 416 . 1 1 41 41 PRO HB2 H 1 2.358 0.020 . 2 . . . . 41 Pro HB2 . 17170 1 417 . 1 1 41 41 PRO HB3 H 1 1.953 0.020 . 2 . . . . 41 Pro HB3 . 17170 1 418 . 1 1 41 41 PRO HD2 H 1 3.907 0.020 . 2 . . . . 41 Pro HD2 . 17170 1 419 . 1 1 41 41 PRO HD3 H 1 3.689 0.020 . 2 . . . . 41 Pro HD3 . 17170 1 420 . 1 1 41 41 PRO HG2 H 1 2.187 0.020 . 2 . . . . 41 Pro HG2 . 17170 1 421 . 1 1 41 41 PRO HG3 H 1 2.097 0.020 . 2 . . . . 41 Pro HG3 . 17170 1 422 . 1 1 41 41 PRO C C 13 178.003 0.300 . 1 . . . . 41 Pro C . 17170 1 423 . 1 1 41 41 PRO CA C 13 64.450 0.300 . 1 . . . . 41 Pro CA . 17170 1 424 . 1 1 41 41 PRO CB C 13 31.730 0.300 . 1 . . . . 41 Pro CB . 17170 1 425 . 1 1 41 41 PRO CD C 13 50.586 0.300 . 1 . . . . 41 Pro CD . 17170 1 426 . 1 1 41 41 PRO CG C 13 27.278 0.300 . 1 . . . . 41 Pro CG . 17170 1 427 . 1 1 42 42 ASN H H 1 8.114 0.020 . 1 . . . . 42 Asn H . 17170 1 428 . 1 1 42 42 ASN HA H 1 4.737 0.020 . 1 . . . . 42 Asn HA . 17170 1 429 . 1 1 42 42 ASN HB2 H 1 2.797 0.020 . 2 . . . . 42 Asn HB2 . 17170 1 430 . 1 1 42 42 ASN HB3 H 1 2.693 0.020 . 2 . . . . 42 Asn HB3 . 17170 1 431 . 1 1 42 42 ASN C C 13 174.129 0.300 . 1 . . . . 42 Asn C . 17170 1 432 . 1 1 42 42 ASN CA C 13 53.287 0.300 . 1 . . . . 42 Asn CA . 17170 1 433 . 1 1 42 42 ASN CB C 13 38.225 0.300 . 1 . . . . 42 Asn CB . 17170 1 434 . 1 1 42 42 ASN N N 15 114.806 0.300 . 1 . . . . 42 Asn N . 17170 1 435 . 1 1 43 43 ARG H H 1 7.752 0.020 . 1 . . . . 43 Arg H . 17170 1 436 . 1 1 43 43 ARG HA H 1 5.126 0.020 . 1 . . . . 43 Arg HA . 17170 1 437 . 1 1 43 43 ARG HB2 H 1 1.464 0.020 . 2 . . . . 43 Arg QB . 17170 1 438 . 1 1 43 43 ARG HB3 H 1 1.464 0.020 . 2 . . . . 43 Arg QB . 17170 1 439 . 1 1 43 43 ARG HD2 H 1 2.746 0.020 . 2 . . . . 43 Arg HD2 . 17170 1 440 . 1 1 43 43 ARG HG2 H 1 0.908 0.020 . 2 . . . . 43 Arg QG . 17170 1 441 . 1 1 43 43 ARG HG3 H 1 0.908 0.020 . 2 . . . . 43 Arg QG . 17170 1 442 . 1 1 43 43 ARG C C 13 174.819 0.300 . 1 . . . . 43 Arg C . 17170 1 443 . 1 1 43 43 ARG CA C 13 53.624 0.300 . 1 . . . . 43 Arg CA . 17170 1 444 . 1 1 43 43 ARG CB C 13 35.245 0.300 . 1 . . . . 43 Arg CB . 17170 1 445 . 1 1 43 43 ARG CD C 13 43.528 0.300 . 1 . . . . 43 Arg CD . 17170 1 446 . 1 1 43 43 ARG CG C 13 25.707 0.300 . 1 . . . . 43 Arg CG . 17170 1 447 . 1 1 43 43 ARG N N 15 116.828 0.300 . 1 . . . . 43 Arg N . 17170 1 448 . 1 1 44 44 ASN H H 1 8.668 0.020 . 1 . . . . 44 Asn H . 17170 1 449 . 1 1 44 44 ASN HA H 1 5.011 0.020 . 1 . . . . 44 Asn HA . 17170 1 450 . 1 1 44 44 ASN HB2 H 1 3.208 0.020 . 2 . . . . 44 Asn HB2 . 17170 1 451 . 1 1 44 44 ASN HB3 H 1 2.712 0.020 . 2 . . . . 44 Asn HB3 . 17170 1 452 . 1 1 44 44 ASN C C 13 175.984 0.300 . 1 . . . . 44 Asn C . 17170 1 453 . 1 1 44 44 ASN CA C 13 50.499 0.300 . 1 . . . . 44 Asn CA . 17170 1 454 . 1 1 44 44 ASN CB C 13 41.170 0.300 . 1 . . . . 44 Asn CB . 17170 1 455 . 1 1 44 44 ASN N N 15 116.842 0.300 . 1 . . . . 44 Asn N . 17170 1 456 . 1 1 45 45 ALA H H 1 8.561 0.020 . 1 . . . . 45 Ala H . 17170 1 457 . 1 1 45 45 ALA HA H 1 4.064 0.020 . 1 . . . . 45 Ala HA . 17170 1 458 . 1 1 45 45 ALA HB1 H 1 1.385 0.020 . 1 . . . . 45 Ala QB . 17170 1 459 . 1 1 45 45 ALA HB2 H 1 1.385 0.020 . 1 . . . . 45 Ala QB . 17170 1 460 . 1 1 45 45 ALA HB3 H 1 1.385 0.020 . 1 . . . . 45 Ala QB . 17170 1 461 . 1 1 45 45 ALA C C 13 178.380 0.300 . 1 . . . . 45 Ala C . 17170 1 462 . 1 1 45 45 ALA CA C 13 55.378 0.300 . 1 . . . . 45 Ala CA . 17170 1 463 . 1 1 45 45 ALA CB C 13 17.756 0.300 . 1 . . . . 45 Ala CB . 17170 1 464 . 1 1 45 45 ALA N N 15 121.092 0.300 . 1 . . . . 45 Ala N . 17170 1 465 . 1 1 46 46 ARG H H 1 8.083 0.020 . 1 . . . . 46 Arg H . 17170 1 466 . 1 1 46 46 ARG HA H 1 3.620 0.020 . 1 . . . . 46 Arg HA . 17170 1 467 . 1 1 46 46 ARG HB2 H 1 1.954 0.020 . 2 . . . . 46 Arg HB2 . 17170 1 468 . 1 1 46 46 ARG HB3 H 1 1.718 0.020 . 2 . . . . 46 Arg HB3 . 17170 1 469 . 1 1 46 46 ARG HD2 H 1 3.086 0.020 . 2 . . . . 46 Arg QD . 17170 1 470 . 1 1 46 46 ARG HD3 H 1 3.086 0.020 . 2 . . . . 46 Arg QD . 17170 1 471 . 1 1 46 46 ARG HG2 H 1 1.560 0.020 . 2 . . . . 46 Arg HG2 . 17170 1 472 . 1 1 46 46 ARG HG3 H 1 1.442 0.020 . 2 . . . . 46 Arg HG3 . 17170 1 473 . 1 1 46 46 ARG C C 13 178.236 0.300 . 1 . . . . 46 Arg C . 17170 1 474 . 1 1 46 46 ARG CA C 13 59.674 0.300 . 1 . . . . 46 Arg CA . 17170 1 475 . 1 1 46 46 ARG CB C 13 27.870 0.300 . 1 . . . . 46 Arg CB . 17170 1 476 . 1 1 46 46 ARG CD C 13 42.056 0.300 . 1 . . . . 46 Arg CD . 17170 1 477 . 1 1 46 46 ARG CG C 13 24.929 0.300 . 1 . . . . 46 Arg CG . 17170 1 478 . 1 1 46 46 ARG N N 15 118.841 0.300 . 1 . . . . 46 Arg N . 17170 1 479 . 1 1 47 47 GLN H H 1 8.739 0.020 . 1 . . . . 47 Gln H . 17170 1 480 . 1 1 47 47 GLN HA H 1 4.040 0.020 . 1 . . . . 47 Gln HA . 17170 1 481 . 1 1 47 47 GLN C C 13 180.452 0.300 . 1 . . . . 47 Gln C . 17170 1 482 . 1 1 47 47 GLN CA C 13 58.785 0.300 . 1 . . . . 47 Gln CA . 17170 1 483 . 1 1 47 47 GLN CB C 13 30.268 0.300 . 1 . . . . 47 Gln CB . 17170 1 484 . 1 1 47 47 GLN N N 15 116.983 0.300 . 1 . . . . 47 Gln N . 17170 1 485 . 1 1 48 48 CYS H H 1 7.544 0.020 . 1 . . . . 48 Cys H . 17170 1 486 . 1 1 48 48 CYS HA H 1 3.988 0.020 . 1 . . . . 48 Cys HA . 17170 1 487 . 1 1 48 48 CYS HB2 H 1 3.264 0.020 . 2 . . . . 48 Cys HB2 . 17170 1 488 . 1 1 48 48 CYS HB3 H 1 2.849 0.020 . 2 . . . . 48 Cys HB3 . 17170 1 489 . 1 1 48 48 CYS C C 13 173.953 0.300 . 1 . . . . 48 Cys C . 17170 1 490 . 1 1 48 48 CYS CA C 13 63.450 0.300 . 1 . . . . 48 Cys CA . 17170 1 491 . 1 1 48 48 CYS CB C 13 27.601 0.300 . 1 . . . . 48 Cys CB . 17170 1 492 . 1 1 48 48 CYS N N 15 115.734 0.300 . 1 . . . . 48 Cys N . 17170 1 493 . 1 1 49 49 ARG H H 1 8.122 0.020 . 1 . . . . 49 Arg H . 17170 1 494 . 1 1 49 49 ARG HA H 1 3.620 0.020 . 1 . . . . 49 Arg HA . 17170 1 495 . 1 1 49 49 ARG HB2 H 1 1.695 0.020 . 2 . . . . 49 Arg QB . 17170 1 496 . 1 1 49 49 ARG HB3 H 1 1.695 0.020 . 2 . . . . 49 Arg QB . 17170 1 497 . 1 1 49 49 ARG HD2 H 1 3.044 0.020 . 2 . . . . 49 Arg QD . 17170 1 498 . 1 1 49 49 ARG HD3 H 1 3.044 0.020 . 2 . . . . 49 Arg QD . 17170 1 499 . 1 1 49 49 ARG HG2 H 1 1.518 0.020 . 2 . . . . 49 Arg QG . 17170 1 500 . 1 1 49 49 ARG HG3 H 1 1.518 0.020 . 2 . . . . 49 Arg QG . 17170 1 501 . 1 1 49 49 ARG C C 13 177.777 0.300 . 1 . . . . 49 Arg C . 17170 1 502 . 1 1 49 49 ARG CA C 13 58.785 0.300 . 1 . . . . 49 Arg CA . 17170 1 503 . 1 1 49 49 ARG CB C 13 29.774 0.300 . 1 . . . . 49 Arg CB . 17170 1 504 . 1 1 49 49 ARG CD C 13 42.167 0.300 . 1 . . . . 49 Arg CD . 17170 1 505 . 1 1 49 49 ARG CG C 13 25.485 0.300 . 1 . . . . 49 Arg CG . 17170 1 506 . 1 1 49 49 ARG N N 15 122.629 0.300 . 1 . . . . 49 Arg N . 17170 1 507 . 1 1 50 50 ASP H H 1 8.479 0.020 . 1 . . . . 50 Asp H . 17170 1 508 . 1 1 50 50 ASP HA H 1 4.086 0.020 . 1 . . . . 50 Asp HA . 17170 1 509 . 1 1 50 50 ASP HB2 H 1 2.786 0.020 . 2 . . . . 50 Asp HB2 . 17170 1 510 . 1 1 50 50 ASP HB3 H 1 2.687 0.020 . 2 . . . . 50 Asp HB3 . 17170 1 511 . 1 1 50 50 ASP C C 13 178.778 0.300 . 1 . . . . 50 Asp C . 17170 1 512 . 1 1 50 50 ASP CA C 13 56.846 0.300 . 1 . . . . 50 Asp CA . 17170 1 513 . 1 1 50 50 ASP CB C 13 39.416 0.300 . 1 . . . . 50 Asp CB . 17170 1 514 . 1 1 50 50 ASP N N 15 117.685 0.300 . 1 . . . . 50 Asp N . 17170 1 515 . 1 1 51 51 ARG H H 1 7.389 0.020 . 1 . . . . 51 Arg H . 17170 1 516 . 1 1 51 51 ARG HA H 1 4.273 0.020 . 1 . . . . 51 Arg HA . 17170 1 517 . 1 1 51 51 ARG C C 13 179.008 0.300 . 1 . . . . 51 Arg C . 17170 1 518 . 1 1 51 51 ARG CA C 13 57.581 0.300 . 1 . . . . 51 Arg CA . 17170 1 519 . 1 1 51 51 ARG CB C 13 30.144 0.300 . 1 . . . . 51 Arg CB . 17170 1 520 . 1 1 51 51 ARG N N 15 120.871 0.300 . 1 . . . . 51 Arg N . 17170 1 521 . 1 1 52 52 TRP H H 1 8.157 0.020 . 1 . . . . 52 Trp H . 17170 1 522 . 1 1 52 52 TRP HA H 1 4.221 0.020 . 1 . . . . 52 Trp HA . 17170 1 523 . 1 1 52 52 TRP HB2 H 1 3.333 0.020 . 2 . . . . 52 Trp QB . 17170 1 524 . 1 1 52 52 TRP HB3 H 1 3.333 0.020 . 2 . . . . 52 Trp QB . 17170 1 525 . 1 1 52 52 TRP C C 13 176.447 0.300 . 1 . . . . 52 Trp C . 17170 1 526 . 1 1 52 52 TRP CA C 13 61.817 0.300 . 1 . . . . 52 Trp CA . 17170 1 527 . 1 1 52 52 TRP CB C 13 30.073 0.300 . 1 . . . . 52 Trp CB . 17170 1 528 . 1 1 52 52 TRP N N 15 119.157 0.300 . 1 . . . . 52 Trp N . 17170 1 529 . 1 1 53 53 LYS H H 1 8.727 0.020 . 1 . . . . 53 Lys H . 17170 1 530 . 1 1 53 53 LYS HA H 1 3.593 0.020 . 1 . . . . 53 Lys HA . 17170 1 531 . 1 1 53 53 LYS HB2 H 1 1.910 0.020 . 2 . . . . 53 Lys HB2 . 17170 1 532 . 1 1 53 53 LYS HB3 H 1 1.680 0.020 . 2 . . . . 53 Lys HB3 . 17170 1 533 . 1 1 53 53 LYS HD2 H 1 1.710 0.020 . 2 . . . . 53 Lys HD2 . 17170 1 534 . 1 1 53 53 LYS HD3 H 1 1.660 0.020 . 2 . . . . 53 Lys HD3 . 17170 1 535 . 1 1 53 53 LYS HE2 H 1 3.039 0.020 . 2 . . . . 53 Lys QE . 17170 1 536 . 1 1 53 53 LYS HE3 H 1 3.039 0.020 . 2 . . . . 53 Lys QE . 17170 1 537 . 1 1 53 53 LYS HG2 H 1 1.570 0.020 . 2 . . . . 53 Lys HG2 . 17170 1 538 . 1 1 53 53 LYS HG3 H 1 1.440 0.020 . 2 . . . . 53 Lys HG3 . 17170 1 539 . 1 1 53 53 LYS C C 13 176.775 0.300 . 1 . . . . 53 Lys C . 17170 1 540 . 1 1 53 53 LYS CA C 13 59.585 0.300 . 1 . . . . 53 Lys CA . 17170 1 541 . 1 1 53 53 LYS CB C 13 33.012 0.300 . 1 . . . . 53 Lys CB . 17170 1 542 . 1 1 53 53 LYS CD C 13 29.544 0.300 . 1 . . . . 53 Lys CD . 17170 1 543 . 1 1 53 53 LYS CE C 13 42.019 0.300 . 1 . . . . 53 Lys CE . 17170 1 544 . 1 1 53 53 LYS CG C 13 25.366 0.300 . 1 . . . . 53 Lys CG . 17170 1 545 . 1 1 53 53 LYS N N 15 113.960 0.300 . 1 . . . . 53 Lys N . 17170 1 546 . 1 1 54 54 ASN H H 1 7.477 0.020 . 1 . . . . 54 Asn H . 17170 1 547 . 1 1 54 54 ASN HA H 1 4.553 0.020 . 1 . . . . 54 Asn HA . 17170 1 548 . 1 1 54 54 ASN HB2 H 1 2.536 0.020 . 2 . . . . 54 Asn QB . 17170 1 549 . 1 1 54 54 ASN HB3 H 1 2.536 0.020 . 2 . . . . 54 Asn QB . 17170 1 550 . 1 1 54 54 ASN C C 13 173.687 0.300 . 1 . . . . 54 Asn C . 17170 1 551 . 1 1 54 54 ASN CA C 13 54.205 0.300 . 1 . . . . 54 Asn CA . 17170 1 552 . 1 1 54 54 ASN CB C 13 41.752 0.300 . 1 . . . . 54 Asn CB . 17170 1 553 . 1 1 54 54 ASN N N 15 107.003 0.300 . 1 . . . . 54 Asn N . 17170 1 554 . 1 1 55 55 TYR H H 1 7.209 0.020 . 1 . . . . 55 Tyr H . 17170 1 555 . 1 1 55 55 TYR HA H 1 4.851 0.020 . 1 . . . . 55 Tyr HA . 17170 1 556 . 1 1 55 55 TYR HB2 H 1 2.872 0.020 . 2 . . . . 55 Tyr QB . 17170 1 557 . 1 1 55 55 TYR HB3 H 1 2.872 0.020 . 2 . . . . 55 Tyr QB . 17170 1 558 . 1 1 55 55 TYR C C 13 175.459 0.300 . 1 . . . . 55 Tyr C . 17170 1 559 . 1 1 55 55 TYR CA C 13 60.776 0.300 . 1 . . . . 55 Tyr CA . 17170 1 560 . 1 1 55 55 TYR CB C 13 41.782 0.300 . 1 . . . . 55 Tyr CB . 17170 1 561 . 1 1 55 55 TYR N N 15 111.910 0.300 . 1 . . . . 55 Tyr N . 17170 1 562 . 1 1 56 56 LEU H H 1 7.481 0.020 . 1 . . . . 56 Leu H . 17170 1 563 . 1 1 56 56 LEU HA H 1 4.482 0.020 . 1 . . . . 56 Leu HA . 17170 1 564 . 1 1 56 56 LEU HB2 H 1 1.564 0.020 . 2 . . . . 56 Leu HB2 . 17170 1 565 . 1 1 56 56 LEU HB3 H 1 1.475 0.020 . 2 . . . . 56 Leu HB3 . 17170 1 566 . 1 1 56 56 LEU HD11 H 1 0.816 0.020 . 2 . . . . 56 Leu QD1 . 17170 1 567 . 1 1 56 56 LEU HD12 H 1 0.816 0.020 . 2 . . . . 56 Leu QD1 . 17170 1 568 . 1 1 56 56 LEU HD13 H 1 0.816 0.020 . 2 . . . . 56 Leu QD1 . 17170 1 569 . 1 1 56 56 LEU HD21 H 1 0.756 0.020 . 2 . . . . 56 Leu QD2 . 17170 1 570 . 1 1 56 56 LEU HD22 H 1 0.756 0.020 . 2 . . . . 56 Leu QD2 . 17170 1 571 . 1 1 56 56 LEU HD23 H 1 0.756 0.020 . 2 . . . . 56 Leu QD2 . 17170 1 572 . 1 1 56 56 LEU HG H 1 1.682 0.020 . 1 . . . . 56 Leu HG . 17170 1 573 . 1 1 56 56 LEU C C 13 175.639 0.300 . 1 . . . . 56 Leu C . 17170 1 574 . 1 1 56 56 LEU CA C 13 55.353 0.300 . 1 . . . . 56 Leu CA . 17170 1 575 . 1 1 56 56 LEU CB C 13 42.548 0.300 . 1 . . . . 56 Leu CB . 17170 1 576 . 1 1 56 56 LEU CD1 C 13 24.999 0.300 . 2 . . . . 56 Leu CD1 . 17170 1 577 . 1 1 56 56 LEU CD2 C 13 23.308 0.300 . 2 . . . . 56 Leu CD2 . 17170 1 578 . 1 1 56 56 LEU CG C 13 26.735 0.300 . 1 . . . . 56 Leu CG . 17170 1 579 . 1 1 56 56 LEU N N 15 116.861 0.300 . 1 . . . . 56 Leu N . 17170 1 580 . 1 1 57 57 ALA H H 1 7.617 0.020 . 1 . . . . 57 Ala H . 17170 1 581 . 1 1 57 57 ALA HA H 1 4.376 0.020 . 1 . . . . 57 Ala HA . 17170 1 582 . 1 1 57 57 ALA C C 13 177.100 0.300 . 1 . . . . 57 Ala C . 17170 1 583 . 1 1 57 57 ALA CA C 13 50.875 0.300 . 1 . . . . 57 Ala CA . 17170 1 584 . 1 1 57 57 ALA CB C 13 16.019 0.300 . 1 . . . . 57 Ala CB . 17170 1 585 . 1 1 57 57 ALA N N 15 123.908 0.300 . 1 . . . . 57 Ala N . 17170 1 586 . 1 1 58 58 PRO HA H 1 4.274 0.020 . 1 . . . . 58 Pro HA . 17170 1 587 . 1 1 58 58 PRO HB2 H 1 2.328 0.020 . 2 . . . . 58 Pro HB2 . 17170 1 588 . 1 1 58 58 PRO HB3 H 1 1.958 0.020 . 2 . . . . 58 Pro HB3 . 17170 1 589 . 1 1 58 58 PRO C C 13 176.497 0.300 . 1 . . . . 58 Pro C . 17170 1 590 . 1 1 58 58 PRO CA C 13 64.690 0.300 . 1 . . . . 58 Pro CA . 17170 1 591 . 1 1 58 58 PRO CB C 13 31.450 0.300 . 1 . . . . 58 Pro CB . 17170 1 592 . 1 1 59 59 SER H H 1 7.128 0.020 . 1 . . . . 59 Ser H . 17170 1 593 . 1 1 59 59 SER HA H 1 4.151 0.020 . 1 . . . . 59 Ser HA . 17170 1 594 . 1 1 59 59 SER HB2 H 1 3.863 0.020 . 2 . . . . 59 Ser HB2 . 17170 1 595 . 1 1 59 59 SER HB3 H 1 3.623 0.020 . 2 . . . . 59 Ser HB3 . 17170 1 596 . 1 1 59 59 SER C C 13 174.187 0.300 . 1 . . . . 59 Ser C . 17170 1 597 . 1 1 59 59 SER CA C 13 57.942 0.300 . 1 . . . . 59 Ser CA . 17170 1 598 . 1 1 59 59 SER CB C 13 62.728 0.300 . 1 . . . . 59 Ser CB . 17170 1 599 . 1 1 59 59 SER N N 15 108.852 0.300 . 1 . . . . 59 Ser N . 17170 1 600 . 1 1 60 60 ILE H H 1 7.299 0.020 . 1 . . . . 60 Ile H . 17170 1 601 . 1 1 60 60 ILE HA H 1 3.843 0.020 . 1 . . . . 60 Ile HA . 17170 1 602 . 1 1 60 60 ILE HB H 1 1.697 0.020 . 1 . . . . 60 Ile HB . 17170 1 603 . 1 1 60 60 ILE HD11 H 1 0.452 0.020 . 1 . . . . 60 Ile QD1 . 17170 1 604 . 1 1 60 60 ILE HD12 H 1 0.452 0.020 . 1 . . . . 60 Ile QD1 . 17170 1 605 . 1 1 60 60 ILE HD13 H 1 0.452 0.020 . 1 . . . . 60 Ile QD1 . 17170 1 606 . 1 1 60 60 ILE HG12 H 1 1.104 0.020 . 2 . . . . 60 Ile QG1 . 17170 1 607 . 1 1 60 60 ILE HG13 H 1 1.104 0.020 . 2 . . . . 60 Ile QG1 . 17170 1 608 . 1 1 60 60 ILE HG21 H 1 0.663 0.020 . 1 . . . . 60 Ile QG2 . 17170 1 609 . 1 1 60 60 ILE HG22 H 1 0.663 0.020 . 1 . . . . 60 Ile QG2 . 17170 1 610 . 1 1 60 60 ILE HG23 H 1 0.663 0.020 . 1 . . . . 60 Ile QG2 . 17170 1 611 . 1 1 60 60 ILE C C 13 176.349 0.300 . 1 . . . . 60 Ile C . 17170 1 612 . 1 1 60 60 ILE CA C 13 58.565 0.300 . 1 . . . . 60 Ile CA . 17170 1 613 . 1 1 60 60 ILE CB C 13 35.798 0.300 . 1 . . . . 60 Ile CB . 17170 1 614 . 1 1 60 60 ILE CD1 C 13 9.648 0.300 . 1 . . . . 60 Ile CD1 . 17170 1 615 . 1 1 60 60 ILE CG1 C 13 27.018 0.300 . 1 . . . . 60 Ile CG1 . 17170 1 616 . 1 1 60 60 ILE CG2 C 13 17.251 0.300 . 1 . . . . 60 Ile CG2 . 17170 1 617 . 1 1 60 60 ILE N N 15 123.206 0.300 . 1 . . . . 60 Ile N . 17170 1 618 . 1 1 61 61 SER H H 1 9.291 0.020 . 1 . . . . 61 Ser H . 17170 1 619 . 1 1 61 61 SER HA H 1 4.311 0.020 . 1 . . . . 61 Ser HA . 17170 1 620 . 1 1 61 61 SER HB2 H 1 3.714 0.020 . 2 . . . . 61 Ser HB2 . 17170 1 621 . 1 1 61 61 SER HB3 H 1 3.518 0.020 . 2 . . . . 61 Ser HB3 . 17170 1 622 . 1 1 61 61 SER C C 13 175.371 0.300 . 1 . . . . 61 Ser C . 17170 1 623 . 1 1 61 61 SER CA C 13 57.134 0.300 . 1 . . . . 61 Ser CA . 17170 1 624 . 1 1 61 61 SER CB C 13 63.639 0.300 . 1 . . . . 61 Ser CB . 17170 1 625 . 1 1 61 61 SER N N 15 122.736 0.300 . 1 . . . . 61 Ser N . 17170 1 626 . 1 1 62 62 HIS H H 1 8.903 0.020 . 1 . . . . 62 His H . 17170 1 627 . 1 1 62 62 HIS HA H 1 4.779 0.020 . 1 . . . . 62 His HA . 17170 1 628 . 1 1 62 62 HIS HB2 H 1 3.468 0.020 . 2 . . . . 62 His HB2 . 17170 1 629 . 1 1 62 62 HIS HB3 H 1 2.947 0.020 . 2 . . . . 62 His HB3 . 17170 1 630 . 1 1 62 62 HIS C C 13 174.292 0.300 . 1 . . . . 62 His C . 17170 1 631 . 1 1 62 62 HIS CA C 13 54.267 0.300 . 1 . . . . 62 His CA . 17170 1 632 . 1 1 62 62 HIS CB C 13 27.870 0.300 . 1 . . . . 62 His CB . 17170 1 633 . 1 1 62 62 HIS N N 15 123.824 0.300 . 1 . . . . 62 His N . 17170 1 634 . 1 1 63 63 THR H H 1 7.712 0.020 . 1 . . . . 63 Thr H . 17170 1 635 . 1 1 63 63 THR HA H 1 4.622 0.020 . 1 . . . . 63 Thr HA . 17170 1 636 . 1 1 63 63 THR HB H 1 4.109 0.020 . 1 . . . . 63 Thr HB . 17170 1 637 . 1 1 63 63 THR HG21 H 1 1.185 0.020 . 1 . . . . 63 Thr QG2 . 17170 1 638 . 1 1 63 63 THR HG22 H 1 1.185 0.020 . 1 . . . . 63 Thr QG2 . 17170 1 639 . 1 1 63 63 THR HG23 H 1 1.185 0.020 . 1 . . . . 63 Thr QG2 . 17170 1 640 . 1 1 63 63 THR C C 13 172.948 0.300 . 1 . . . . 63 Thr C . 17170 1 641 . 1 1 63 63 THR CA C 13 59.674 0.300 . 1 . . . . 63 Thr CA . 17170 1 642 . 1 1 63 63 THR CB C 13 68.844 0.300 . 1 . . . . 63 Thr CB . 17170 1 643 . 1 1 63 63 THR CG2 C 13 21.807 0.300 . 1 . . . . 63 Thr CG2 . 17170 1 644 . 1 1 63 63 THR N N 15 114.834 0.300 . 1 . . . . 63 Thr N . 17170 1 645 . 1 1 64 64 PRO HA H 1 4.520 0.020 . 1 . . . . 64 Pro HA . 17170 1 646 . 1 1 64 64 PRO HB2 H 1 2.409 0.020 . 2 . . . . 64 Pro HB2 . 17170 1 647 . 1 1 64 64 PRO HB3 H 1 1.863 0.020 . 2 . . . . 64 Pro HB3 . 17170 1 648 . 1 1 64 64 PRO HD2 H 1 3.908 0.020 . 2 . . . . 64 Pro HD2 . 17170 1 649 . 1 1 64 64 PRO HD3 H 1 3.668 0.020 . 2 . . . . 64 Pro HD3 . 17170 1 650 . 1 1 64 64 PRO HG2 H 1 2.037 0.020 . 2 . . . . 64 Pro HG2 . 17170 1 651 . 1 1 64 64 PRO HG3 H 1 1.975 0.020 . 2 . . . . 64 Pro HG3 . 17170 1 652 . 1 1 64 64 PRO C C 13 176.710 0.300 . 1 . . . . 64 Pro C . 17170 1 653 . 1 1 64 64 PRO CA C 13 62.910 0.300 . 1 . . . . 64 Pro CA . 17170 1 654 . 1 1 64 64 PRO CB C 13 32.250 0.300 . 1 . . . . 64 Pro CB . 17170 1 655 . 1 1 64 64 PRO CD C 13 50.725 0.300 . 1 . . . . 64 Pro CD . 17170 1 656 . 1 1 64 64 PRO CG C 13 27.326 0.300 . 1 . . . . 64 Pro CG . 17170 1 657 . 1 1 65 65 TRP H H 1 8.542 0.020 . 1 . . . . 65 Trp H . 17170 1 658 . 1 1 65 65 TRP HA H 1 4.272 0.020 . 1 . . . . 65 Trp HA . 17170 1 659 . 1 1 65 65 TRP HB2 H 1 3.312 0.020 . 2 . . . . 65 Trp HB2 . 17170 1 660 . 1 1 65 65 TRP HB3 H 1 2.811 0.020 . 2 . . . . 65 Trp HB3 . 17170 1 661 . 1 1 65 65 TRP C C 13 178.367 0.300 . 1 . . . . 65 Trp C . 17170 1 662 . 1 1 65 65 TRP CA C 13 58.435 0.300 . 1 . . . . 65 Trp CA . 17170 1 663 . 1 1 65 65 TRP CB C 13 28.565 0.300 . 1 . . . . 65 Trp CB . 17170 1 664 . 1 1 65 65 TRP N N 15 123.919 0.300 . 1 . . . . 65 Trp N . 17170 1 665 . 1 1 66 66 THR H H 1 8.635 0.020 . 1 . . . . 66 Thr H . 17170 1 666 . 1 1 66 66 THR HA H 1 4.612 0.020 . 1 . . . . 66 Thr HA . 17170 1 667 . 1 1 66 66 THR HB H 1 4.774 0.020 . 1 . . . . 66 Thr HB . 17170 1 668 . 1 1 66 66 THR HG21 H 1 1.285 0.020 . 1 . . . . 66 Thr QG2 . 17170 1 669 . 1 1 66 66 THR HG22 H 1 1.285 0.020 . 1 . . . . 66 Thr QG2 . 17170 1 670 . 1 1 66 66 THR HG23 H 1 1.285 0.020 . 1 . . . . 66 Thr QG2 . 17170 1 671 . 1 1 66 66 THR C C 13 175.118 0.300 . 1 . . . . 66 Thr C . 17170 1 672 . 1 1 66 66 THR CA C 13 59.753 0.300 . 1 . . . . 66 Thr CA . 17170 1 673 . 1 1 66 66 THR CB C 13 72.025 0.300 . 1 . . . . 66 Thr CB . 17170 1 674 . 1 1 66 66 THR CG2 C 13 21.828 0.300 . 1 . . . . 66 Thr CG2 . 17170 1 675 . 1 1 66 66 THR N N 15 115.938 0.300 . 1 . . . . 66 Thr N . 17170 1 676 . 1 1 67 67 ALA H H 1 8.828 0.020 . 1 . . . . 67 Ala H . 17170 1 677 . 1 1 67 67 ALA HA H 1 4.245 0.020 . 1 . . . . 67 Ala HA . 17170 1 678 . 1 1 67 67 ALA HB1 H 1 1.482 0.020 . 1 . . . . 67 Ala QB . 17170 1 679 . 1 1 67 67 ALA HB2 H 1 1.482 0.020 . 1 . . . . 67 Ala QB . 17170 1 680 . 1 1 67 67 ALA HB3 H 1 1.482 0.020 . 1 . . . . 67 Ala QB . 17170 1 681 . 1 1 67 67 ALA C C 13 181.272 0.300 . 1 . . . . 67 Ala C . 17170 1 682 . 1 1 67 67 ALA CA C 13 55.833 0.300 . 1 . . . . 67 Ala CA . 17170 1 683 . 1 1 67 67 ALA CB C 13 17.909 0.300 . 1 . . . . 67 Ala CB . 17170 1 684 . 1 1 67 67 ALA N N 15 123.301 0.300 . 1 . . . . 67 Ala N . 17170 1 685 . 1 1 68 68 GLU H H 1 8.707 0.020 . 1 . . . . 68 Glu H . 17170 1 686 . 1 1 68 68 GLU HA H 1 4.070 0.020 . 1 . . . . 68 Glu HA . 17170 1 687 . 1 1 68 68 GLU HB2 H 1 2.090 0.020 . 2 . . . . 68 Glu HB2 . 17170 1 688 . 1 1 68 68 GLU HB3 H 1 1.940 0.020 . 2 . . . . 68 Glu HB3 . 17170 1 689 . 1 1 68 68 GLU HG2 H 1 2.410 0.020 . 2 . . . . 68 Glu HG2 . 17170 1 690 . 1 1 68 68 GLU HG3 H 1 2.270 0.020 . 2 . . . . 68 Glu HG3 . 17170 1 691 . 1 1 68 68 GLU C C 13 179.648 0.300 . 1 . . . . 68 Glu C . 17170 1 692 . 1 1 68 68 GLU CA C 13 60.197 0.300 . 1 . . . . 68 Glu CA . 17170 1 693 . 1 1 68 68 GLU CB C 13 29.007 0.300 . 1 . . . . 68 Glu CB . 17170 1 694 . 1 1 68 68 GLU CG C 13 36.954 0.300 . 1 . . . . 68 Glu CG . 17170 1 695 . 1 1 68 68 GLU N N 15 118.353 0.300 . 1 . . . . 68 Glu N . 17170 1 696 . 1 1 69 69 GLU H H 1 7.955 0.020 . 1 . . . . 69 Glu H . 17170 1 697 . 1 1 69 69 GLU HA H 1 4.210 0.020 . 1 . . . . 69 Glu HA . 17170 1 698 . 1 1 69 69 GLU HB2 H 1 2.580 0.020 . 2 . . . . 69 Glu HB2 . 17170 1 699 . 1 1 69 69 GLU HB3 H 1 2.450 0.020 . 2 . . . . 69 Glu HB3 . 17170 1 700 . 1 1 69 69 GLU HG2 H 1 2.450 0.020 . 2 . . . . 69 Glu HG2 . 17170 1 701 . 1 1 69 69 GLU HG3 H 1 2.220 0.020 . 2 . . . . 69 Glu HG3 . 17170 1 702 . 1 1 69 69 GLU C C 13 178.767 0.300 . 1 . . . . 69 Glu C . 17170 1 703 . 1 1 69 69 GLU CA C 13 60.029 0.300 . 1 . . . . 69 Glu CA . 17170 1 704 . 1 1 69 69 GLU CB C 13 31.609 0.300 . 1 . . . . 69 Glu CB . 17170 1 705 . 1 1 69 69 GLU CG C 13 38.514 0.300 . 1 . . . . 69 Glu CG . 17170 1 706 . 1 1 69 69 GLU N N 15 123.143 0.300 . 1 . . . . 69 Glu N . 17170 1 707 . 1 1 70 70 ASP H H 1 8.598 0.020 . 1 . . . . 70 Asp H . 17170 1 708 . 1 1 70 70 ASP HA H 1 4.628 0.020 . 1 . . . . 70 Asp HA . 17170 1 709 . 1 1 70 70 ASP HB2 H 1 2.757 0.020 . 2 . . . . 70 Asp HB2 . 17170 1 710 . 1 1 70 70 ASP HB3 H 1 2.487 0.020 . 2 . . . . 70 Asp HB3 . 17170 1 711 . 1 1 70 70 ASP C C 13 178.532 0.300 . 1 . . . . 70 Asp C . 17170 1 712 . 1 1 70 70 ASP CA C 13 57.780 0.300 . 1 . . . . 70 Asp CA . 17170 1 713 . 1 1 70 70 ASP CB C 13 40.558 0.300 . 1 . . . . 70 Asp CB . 17170 1 714 . 1 1 70 70 ASP N N 15 121.127 0.300 . 1 . . . . 70 Asp N . 17170 1 715 . 1 1 71 71 ALA H H 1 8.052 0.020 . 1 . . . . 71 Ala H . 17170 1 716 . 1 1 71 71 ALA HA H 1 4.201 0.020 . 1 . . . . 71 Ala HA . 17170 1 717 . 1 1 71 71 ALA HB1 H 1 1.528 0.020 . 1 . . . . 71 Ala QB . 17170 1 718 . 1 1 71 71 ALA HB2 H 1 1.528 0.020 . 1 . . . . 71 Ala QB . 17170 1 719 . 1 1 71 71 ALA HB3 H 1 1.528 0.020 . 1 . . . . 71 Ala QB . 17170 1 720 . 1 1 71 71 ALA C C 13 180.978 0.300 . 1 . . . . 71 Ala C . 17170 1 721 . 1 1 71 71 ALA CA C 13 55.239 0.300 . 1 . . . . 71 Ala CA . 17170 1 722 . 1 1 71 71 ALA CB C 13 18.164 0.300 . 1 . . . . 71 Ala CB . 17170 1 723 . 1 1 71 71 ALA N N 15 120.508 0.300 . 1 . . . . 71 Ala N . 17170 1 724 . 1 1 72 72 LEU H H 1 8.025 0.020 . 1 . . . . 72 Leu H . 17170 1 725 . 1 1 72 72 LEU HA H 1 4.223 0.020 . 1 . . . . 72 Leu HA . 17170 1 726 . 1 1 72 72 LEU HB2 H 1 2.248 0.020 . 2 . . . . 72 Leu HB2 . 17170 1 727 . 1 1 72 72 LEU HB3 H 1 1.563 0.020 . 2 . . . . 72 Leu HB3 . 17170 1 728 . 1 1 72 72 LEU HD11 H 1 0.427 0.020 . 2 . . . . 72 Leu QD1 . 17170 1 729 . 1 1 72 72 LEU HD12 H 1 0.427 0.020 . 2 . . . . 72 Leu QD1 . 17170 1 730 . 1 1 72 72 LEU HD13 H 1 0.427 0.020 . 2 . . . . 72 Leu QD1 . 17170 1 731 . 1 1 72 72 LEU HD21 H 1 0.811 0.020 . 2 . . . . 72 Leu QD2 . 17170 1 732 . 1 1 72 72 LEU HD22 H 1 0.811 0.020 . 2 . . . . 72 Leu QD2 . 17170 1 733 . 1 1 72 72 LEU HD23 H 1 0.811 0.020 . 2 . . . . 72 Leu QD2 . 17170 1 734 . 1 1 72 72 LEU HG H 1 1.427 0.020 . 1 . . . . 72 Leu HG . 17170 1 735 . 1 1 72 72 LEU C C 13 178.530 0.300 . 1 . . . . 72 Leu C . 17170 1 736 . 1 1 72 72 LEU CA C 13 57.186 0.300 . 1 . . . . 72 Leu CA . 17170 1 737 . 1 1 72 72 LEU CB C 13 41.426 0.300 . 1 . . . . 72 Leu CB . 17170 1 738 . 1 1 72 72 LEU CD1 C 13 25.112 0.300 . 2 . . . . 72 Leu CD1 . 17170 1 739 . 1 1 72 72 LEU CD2 C 13 23.353 0.300 . 2 . . . . 72 Leu CD2 . 17170 1 740 . 1 1 72 72 LEU CG C 13 26.561 0.300 . 1 . . . . 72 Leu CG . 17170 1 741 . 1 1 72 72 LEU N N 15 121.728 0.300 . 1 . . . . 72 Leu N . 17170 1 742 . 1 1 73 73 LEU H H 1 8.895 0.020 . 1 . . . . 73 Leu H . 17170 1 743 . 1 1 73 73 LEU HA H 1 4.230 0.020 . 1 . . . . 73 Leu HA . 17170 1 744 . 1 1 73 73 LEU HB2 H 1 2.490 0.020 . 2 . . . . 73 Leu HB2 . 17170 1 745 . 1 1 73 73 LEU HB3 H 1 1.830 0.020 . 2 . . . . 73 Leu HB3 . 17170 1 746 . 1 1 73 73 LEU HD11 H 1 0.814 0.020 . 2 . . . . 73 Leu QD1 . 17170 1 747 . 1 1 73 73 LEU HD12 H 1 0.814 0.020 . 2 . . . . 73 Leu QD1 . 17170 1 748 . 1 1 73 73 LEU HD13 H 1 0.814 0.020 . 2 . . . . 73 Leu QD1 . 17170 1 749 . 1 1 73 73 LEU HD21 H 1 0.933 0.020 . 2 . . . . 73 Leu QD2 . 17170 1 750 . 1 1 73 73 LEU HD22 H 1 0.933 0.020 . 2 . . . . 73 Leu QD2 . 17170 1 751 . 1 1 73 73 LEU HD23 H 1 0.933 0.020 . 2 . . . . 73 Leu QD2 . 17170 1 752 . 1 1 73 73 LEU HG H 1 1.557 0.020 . 1 . . . . 73 Leu HG . 17170 1 753 . 1 1 73 73 LEU C C 13 177.793 0.300 . 1 . . . . 73 Leu C . 17170 1 754 . 1 1 73 73 LEU CA C 13 58.990 0.300 . 1 . . . . 73 Leu CA . 17170 1 755 . 1 1 73 73 LEU CB C 13 41.134 0.300 . 1 . . . . 73 Leu CB . 17170 1 756 . 1 1 73 73 LEU CD1 C 13 25.120 0.300 . 2 . . . . 73 Leu CD1 . 17170 1 757 . 1 1 73 73 LEU CD2 C 13 21.605 0.300 . 2 . . . . 73 Leu CD2 . 17170 1 758 . 1 1 73 73 LEU CG C 13 26.927 0.300 . 1 . . . . 73 Leu CG . 17170 1 759 . 1 1 73 73 LEU N N 15 122.259 0.300 . 1 . . . . 73 Leu N . 17170 1 760 . 1 1 74 74 VAL H H 1 8.001 0.020 . 1 . . . . 74 Val H . 17170 1 761 . 1 1 74 74 VAL HA H 1 3.546 0.020 . 1 . . . . 74 Val HA . 17170 1 762 . 1 1 74 74 VAL HB H 1 2.245 0.020 . 1 . . . . 74 Val HB . 17170 1 763 . 1 1 74 74 VAL HG11 H 1 0.997 0.020 . 2 . . . . 74 Val QQG . 17170 1 764 . 1 1 74 74 VAL HG12 H 1 0.997 0.020 . 2 . . . . 74 Val QQG . 17170 1 765 . 1 1 74 74 VAL HG13 H 1 0.997 0.020 . 2 . . . . 74 Val QQG . 17170 1 766 . 1 1 74 74 VAL HG21 H 1 0.997 0.020 . 2 . . . . 74 Val QQG . 17170 1 767 . 1 1 74 74 VAL HG22 H 1 0.997 0.020 . 2 . . . . 74 Val QQG . 17170 1 768 . 1 1 74 74 VAL HG23 H 1 0.997 0.020 . 2 . . . . 74 Val QQG . 17170 1 769 . 1 1 74 74 VAL C C 13 178.400 0.300 . 1 . . . . 74 Val C . 17170 1 770 . 1 1 74 74 VAL CA C 13 67.206 0.300 . 1 . . . . 74 Val CA . 17170 1 771 . 1 1 74 74 VAL CB C 13 32.269 0.300 . 1 . . . . 74 Val CB . 17170 1 772 . 1 1 74 74 VAL CG1 C 13 21.570 0.300 . 2 . . . . 74 Val CG1 . 17170 1 773 . 1 1 74 74 VAL CG2 C 13 20.968 0.300 . 2 . . . . 74 Val CG2 . 17170 1 774 . 1 1 74 74 VAL N N 15 117.521 0.300 . 1 . . . . 74 Val N . 17170 1 775 . 1 1 75 75 GLN H H 1 7.632 0.020 . 1 . . . . 75 Gln H . 17170 1 776 . 1 1 75 75 GLN HA H 1 4.002 0.020 . 1 . . . . 75 Gln HA . 17170 1 777 . 1 1 75 75 GLN HB2 H 1 2.219 0.020 . 2 . . . . 75 Gln QB . 17170 1 778 . 1 1 75 75 GLN HB3 H 1 2.219 0.020 . 2 . . . . 75 Gln QB . 17170 1 779 . 1 1 75 75 GLN HG2 H 1 2.448 0.020 . 2 . . . . 75 Gln QG . 17170 1 780 . 1 1 75 75 GLN HG3 H 1 2.448 0.020 . 2 . . . . 75 Gln QG . 17170 1 781 . 1 1 75 75 GLN C C 13 179.352 0.300 . 1 . . . . 75 Gln C . 17170 1 782 . 1 1 75 75 GLN CA C 13 59.000 0.300 . 1 . . . . 75 Gln CA . 17170 1 783 . 1 1 75 75 GLN CB C 13 28.533 0.300 . 1 . . . . 75 Gln CB . 17170 1 784 . 1 1 75 75 GLN CG C 13 33.449 0.300 . 1 . . . . 75 Gln CG . 17170 1 785 . 1 1 75 75 GLN N N 15 118.246 0.300 . 1 . . . . 75 Gln N . 17170 1 786 . 1 1 76 76 LYS H H 1 8.949 0.020 . 1 . . . . 76 Lys H . 17170 1 787 . 1 1 76 76 LYS HA H 1 4.150 0.020 . 1 . . . . 76 Lys HA . 17170 1 788 . 1 1 76 76 LYS C C 13 179.081 0.300 . 1 . . . . 76 Lys C . 17170 1 789 . 1 1 76 76 LYS CA C 13 57.243 0.300 . 1 . . . . 76 Lys CA . 17170 1 790 . 1 1 76 76 LYS CB C 13 32.171 0.300 . 1 . . . . 76 Lys CB . 17170 1 791 . 1 1 76 76 LYS N N 15 118.103 0.300 . 1 . . . . 76 Lys N . 17170 1 792 . 1 1 77 77 ILE H H 1 8.662 0.020 . 1 . . . . 77 Ile H . 17170 1 793 . 1 1 77 77 ILE HA H 1 3.843 0.020 . 1 . . . . 77 Ile HA . 17170 1 794 . 1 1 77 77 ILE HB H 1 1.409 0.020 . 1 . . . . 77 Ile HB . 17170 1 795 . 1 1 77 77 ILE HD11 H 1 -0.172 0.020 . 1 . . . . 77 Ile QD1 . 17170 1 796 . 1 1 77 77 ILE HD12 H 1 -0.172 0.020 . 1 . . . . 77 Ile QD1 . 17170 1 797 . 1 1 77 77 ILE HD13 H 1 -0.172 0.020 . 1 . . . . 77 Ile QD1 . 17170 1 798 . 1 1 77 77 ILE HG12 H 1 0.825 0.020 . 2 . . . . 77 Ile HG12 . 17170 1 799 . 1 1 77 77 ILE HG13 H 1 0.624 0.020 . 2 . . . . 77 Ile HG13 . 17170 1 800 . 1 1 77 77 ILE HG21 H 1 0.206 0.020 . 1 . . . . 77 Ile QG2 . 17170 1 801 . 1 1 77 77 ILE HG22 H 1 0.206 0.020 . 1 . . . . 77 Ile QG2 . 17170 1 802 . 1 1 77 77 ILE HG23 H 1 0.206 0.020 . 1 . . . . 77 Ile QG2 . 17170 1 803 . 1 1 77 77 ILE C C 13 179.673 0.300 . 1 . . . . 77 Ile C . 17170 1 804 . 1 1 77 77 ILE CA C 13 63.220 0.300 . 1 . . . . 77 Ile CA . 17170 1 805 . 1 1 77 77 ILE CB C 13 36.570 0.300 . 1 . . . . 77 Ile CB . 17170 1 806 . 1 1 77 77 ILE CD1 C 13 12.689 0.300 . 1 . . . . 77 Ile CD1 . 17170 1 807 . 1 1 77 77 ILE CG1 C 13 28.123 0.300 . 1 . . . . 77 Ile CG1 . 17170 1 808 . 1 1 77 77 ILE CG2 C 13 16.218 0.300 . 1 . . . . 77 Ile CG2 . 17170 1 809 . 1 1 77 77 ILE N N 15 123.167 0.300 . 1 . . . . 77 Ile N . 17170 1 810 . 1 1 78 78 GLN H H 1 7.511 0.020 . 1 . . . . 78 Gln H . 17170 1 811 . 1 1 78 78 GLN HA H 1 3.873 0.020 . 1 . . . . 78 Gln HA . 17170 1 812 . 1 1 78 78 GLN HB2 H 1 2.221 0.020 . 2 . . . . 78 Gln HB2 . 17170 1 813 . 1 1 78 78 GLN HB3 H 1 2.031 0.020 . 2 . . . . 78 Gln HB3 . 17170 1 814 . 1 1 78 78 GLN HG2 H 1 2.524 0.020 . 2 . . . . 78 Gln HG2 . 17170 1 815 . 1 1 78 78 GLN HG3 H 1 2.307 0.020 . 2 . . . . 78 Gln HG3 . 17170 1 816 . 1 1 78 78 GLN C C 13 177.186 0.300 . 1 . . . . 78 Gln C . 17170 1 817 . 1 1 78 78 GLN CA C 13 58.859 0.300 . 1 . . . . 78 Gln CA . 17170 1 818 . 1 1 78 78 GLN CB C 13 28.043 0.300 . 1 . . . . 78 Gln CB . 17170 1 819 . 1 1 78 78 GLN CG C 13 34.386 0.300 . 1 . . . . 78 Gln CG . 17170 1 820 . 1 1 78 78 GLN N N 15 120.614 0.300 . 1 . . . . 78 Gln N . 17170 1 821 . 1 1 79 79 GLU H H 1 7.326 0.020 . 1 . . . . 79 Glu H . 17170 1 822 . 1 1 79 79 GLU HA H 1 3.850 0.020 . 1 . . . . 79 Glu HA . 17170 1 823 . 1 1 79 79 GLU HB2 H 1 1.777 0.020 . 2 . . . . 79 Glu QB . 17170 1 824 . 1 1 79 79 GLU HB3 H 1 1.777 0.020 . 2 . . . . 79 Glu QB . 17170 1 825 . 1 1 79 79 GLU HG2 H 1 1.938 0.020 . 2 . . . . 79 Glu QG . 17170 1 826 . 1 1 79 79 GLU HG3 H 1 1.938 0.020 . 2 . . . . 79 Glu QG . 17170 1 827 . 1 1 79 79 GLU C C 13 177.793 0.300 . 1 . . . . 79 Glu C . 17170 1 828 . 1 1 79 79 GLU CA C 13 58.497 0.300 . 1 . . . . 79 Glu CA . 17170 1 829 . 1 1 79 79 GLU CB C 13 31.154 0.300 . 1 . . . . 79 Glu CB . 17170 1 830 . 1 1 79 79 GLU CG C 13 34.939 0.300 . 1 . . . . 79 Glu CG . 17170 1 831 . 1 1 79 79 GLU N N 15 117.747 0.300 . 1 . . . . 79 Glu N . 17170 1 832 . 1 1 80 80 TYR H H 1 8.518 0.020 . 1 . . . . 80 Tyr H . 17170 1 833 . 1 1 80 80 TYR HA H 1 4.416 0.020 . 1 . . . . 80 Tyr HA . 17170 1 834 . 1 1 80 80 TYR HB2 H 1 2.933 0.020 . 2 . . . . 80 Tyr HB2 . 17170 1 835 . 1 1 80 80 TYR HB3 H 1 2.636 0.020 . 2 . . . . 80 Tyr HB3 . 17170 1 836 . 1 1 80 80 TYR C C 13 177.235 0.300 . 1 . . . . 80 Tyr C . 17170 1 837 . 1 1 80 80 TYR CA C 13 58.990 0.300 . 1 . . . . 80 Tyr CA . 17170 1 838 . 1 1 80 80 TYR CB C 13 40.569 0.300 . 1 . . . . 80 Tyr CB . 17170 1 839 . 1 1 80 80 TYR N N 15 114.155 0.300 . 1 . . . . 80 Tyr N . 17170 1 840 . 1 1 81 81 GLY H H 1 8.354 0.020 . 1 . . . . 81 Gly H . 17170 1 841 . 1 1 81 81 GLY HA2 H 1 3.756 0.020 . 2 . . . . 81 Gly HA2 . 17170 1 842 . 1 1 81 81 GLY HA3 H 1 3.451 0.020 . 2 . . . . 81 Gly HA3 . 17170 1 843 . 1 1 81 81 GLY C C 13 173.066 0.300 . 1 . . . . 81 Gly C . 17170 1 844 . 1 1 81 81 GLY CA C 13 44.955 0.300 . 1 . . . . 81 Gly CA . 17170 1 845 . 1 1 81 81 GLY N N 15 111.863 0.300 . 1 . . . . 81 Gly N . 17170 1 846 . 1 1 82 82 ARG H H 1 7.769 0.020 . 1 . . . . 82 Arg H . 17170 1 847 . 1 1 82 82 ARG HA H 1 4.442 0.020 . 1 . . . . 82 Arg HA . 17170 1 848 . 1 1 82 82 ARG HB2 H 1 1.666 0.020 . 2 . . . . 82 Arg QB . 17170 1 849 . 1 1 82 82 ARG HB3 H 1 1.666 0.020 . 2 . . . . 82 Arg QB . 17170 1 850 . 1 1 82 82 ARG HD2 H 1 2.970 0.020 . 2 . . . . 82 Arg QD . 17170 1 851 . 1 1 82 82 ARG HD3 H 1 2.970 0.020 . 2 . . . . 82 Arg QD . 17170 1 852 . 1 1 82 82 ARG HG2 H 1 1.578 0.020 . 2 . . . . 82 Arg QG . 17170 1 853 . 1 1 82 82 ARG HG3 H 1 1.578 0.020 . 2 . . . . 82 Arg QG . 17170 1 854 . 1 1 82 82 ARG C C 13 175.791 0.300 . 1 . . . . 82 Arg C . 17170 1 855 . 1 1 82 82 ARG CA C 13 54.502 0.300 . 1 . . . . 82 Arg CA . 17170 1 856 . 1 1 82 82 ARG CB C 13 28.093 0.300 . 1 . . . . 82 Arg CB . 17170 1 857 . 1 1 82 82 ARG CD C 13 42.056 0.300 . 1 . . . . 82 Arg CD . 17170 1 858 . 1 1 82 82 ARG CG C 13 29.329 0.300 . 1 . . . . 82 Arg CG . 17170 1 859 . 1 1 82 82 ARG N N 15 120.781 0.300 . 1 . . . . 82 Arg N . 17170 1 860 . 1 1 83 83 GLN H H 1 6.794 0.020 . 1 . . . . 83 Gln H . 17170 1 861 . 1 1 83 83 GLN HA H 1 4.543 0.020 . 1 . . . . 83 Gln HA . 17170 1 862 . 1 1 83 83 GLN C C 13 176.161 0.300 . 1 . . . . 83 Gln C . 17170 1 863 . 1 1 83 83 GLN CA C 13 53.476 0.300 . 1 . . . . 83 Gln CA . 17170 1 864 . 1 1 83 83 GLN CB C 13 29.048 0.300 . 1 . . . . 83 Gln CB . 17170 1 865 . 1 1 83 83 GLN N N 15 120.918 0.300 . 1 . . . . 83 Gln N . 17170 1 866 . 1 1 84 84 TRP H H 1 6.772 0.020 . 1 . . . . 84 Trp H . 17170 1 867 . 1 1 84 84 TRP HA H 1 4.233 0.020 . 1 . . . . 84 Trp HA . 17170 1 868 . 1 1 84 84 TRP HB2 H 1 3.653 0.020 . 2 . . . . 84 Trp HB2 . 17170 1 869 . 1 1 84 84 TRP HB3 H 1 3.181 0.020 . 2 . . . . 84 Trp HB3 . 17170 1 870 . 1 1 84 84 TRP C C 13 178.194 0.300 . 1 . . . . 84 Trp C . 17170 1 871 . 1 1 84 84 TRP CA C 13 59.121 0.300 . 1 . . . . 84 Trp CA . 17170 1 872 . 1 1 84 84 TRP CB C 13 29.242 0.300 . 1 . . . . 84 Trp CB . 17170 1 873 . 1 1 84 84 TRP N N 15 123.688 0.300 . 1 . . . . 84 Trp N . 17170 1 874 . 1 1 85 85 ALA H H 1 9.605 0.020 . 1 . . . . 85 Ala H . 17170 1 875 . 1 1 85 85 ALA HA H 1 4.105 0.020 . 1 . . . . 85 Ala HA . 17170 1 876 . 1 1 85 85 ALA HB1 H 1 1.525 0.020 . 1 . . . . 85 Ala QB . 17170 1 877 . 1 1 85 85 ALA HB2 H 1 1.525 0.020 . 1 . . . . 85 Ala QB . 17170 1 878 . 1 1 85 85 ALA HB3 H 1 1.525 0.020 . 1 . . . . 85 Ala QB . 17170 1 879 . 1 1 85 85 ALA C C 13 180.419 0.300 . 1 . . . . 85 Ala C . 17170 1 880 . 1 1 85 85 ALA CA C 13 55.489 0.300 . 1 . . . . 85 Ala CA . 17170 1 881 . 1 1 85 85 ALA CB C 13 18.104 0.300 . 1 . . . . 85 Ala CB . 17170 1 882 . 1 1 85 85 ALA N N 15 120.982 0.300 . 1 . . . . 85 Ala N . 17170 1 883 . 1 1 86 86 ILE H H 1 7.436 0.020 . 1 . . . . 86 Ile H . 17170 1 884 . 1 1 86 86 ILE HA H 1 3.621 0.020 . 1 . . . . 86 Ile HA . 17170 1 885 . 1 1 86 86 ILE HB H 1 1.652 0.020 . 1 . . . . 86 Ile HB . 17170 1 886 . 1 1 86 86 ILE HD11 H 1 0.252 0.020 . 1 . . . . 86 Ile QD1 . 17170 1 887 . 1 1 86 86 ILE HD12 H 1 0.252 0.020 . 1 . . . . 86 Ile QD1 . 17170 1 888 . 1 1 86 86 ILE HD13 H 1 0.252 0.020 . 1 . . . . 86 Ile QD1 . 17170 1 889 . 1 1 86 86 ILE HG12 H 1 1.413 0.020 . 2 . . . . 86 Ile HG12 . 17170 1 890 . 1 1 86 86 ILE HG13 H 1 1.039 0.020 . 2 . . . . 86 Ile HG13 . 17170 1 891 . 1 1 86 86 ILE HG21 H 1 0.655 0.020 . 1 . . . . 86 Ile QG2 . 17170 1 892 . 1 1 86 86 ILE HG22 H 1 0.655 0.020 . 1 . . . . 86 Ile QG2 . 17170 1 893 . 1 1 86 86 ILE HG23 H 1 0.655 0.020 . 1 . . . . 86 Ile QG2 . 17170 1 894 . 1 1 86 86 ILE C C 13 178.285 0.300 . 1 . . . . 86 Ile C . 17170 1 895 . 1 1 86 86 ILE CA C 13 63.234 0.300 . 1 . . . . 86 Ile CA . 17170 1 896 . 1 1 86 86 ILE CB C 13 37.155 0.300 . 1 . . . . 86 Ile CB . 17170 1 897 . 1 1 86 86 ILE CD1 C 13 12.660 0.300 . 1 . . . . 86 Ile CD1 . 17170 1 898 . 1 1 86 86 ILE CG1 C 13 28.495 0.300 . 1 . . . . 86 Ile CG1 . 17170 1 899 . 1 1 86 86 ILE CG2 C 13 16.197 0.300 . 1 . . . . 86 Ile CG2 . 17170 1 900 . 1 1 86 86 ILE N N 15 118.989 0.300 . 1 . . . . 86 Ile N . 17170 1 901 . 1 1 87 87 ILE H H 1 8.100 0.020 . 1 . . . . 87 Ile H . 17170 1 902 . 1 1 87 87 ILE HA H 1 3.623 0.020 . 1 . . . . 87 Ile HA . 17170 1 903 . 1 1 87 87 ILE HB H 1 1.915 0.020 . 1 . . . . 87 Ile HB . 17170 1 904 . 1 1 87 87 ILE HD11 H 1 0.744 0.020 . 1 . . . . 87 Ile QD1 . 17170 1 905 . 1 1 87 87 ILE HD12 H 1 0.744 0.020 . 1 . . . . 87 Ile QD1 . 17170 1 906 . 1 1 87 87 ILE HD13 H 1 0.744 0.020 . 1 . . . . 87 Ile QD1 . 17170 1 907 . 1 1 87 87 ILE HG12 H 1 1.722 0.020 . 2 . . . . 87 Ile HG12 . 17170 1 908 . 1 1 87 87 ILE HG13 H 1 1.655 0.020 . 2 . . . . 87 Ile HG13 . 17170 1 909 . 1 1 87 87 ILE HG21 H 1 1.110 0.020 . 1 . . . . 87 Ile QG2 . 17170 1 910 . 1 1 87 87 ILE HG22 H 1 1.110 0.020 . 1 . . . . 87 Ile QG2 . 17170 1 911 . 1 1 87 87 ILE HG23 H 1 1.110 0.020 . 1 . . . . 87 Ile QG2 . 17170 1 912 . 1 1 87 87 ILE C C 13 178.068 0.300 . 1 . . . . 87 Ile C . 17170 1 913 . 1 1 87 87 ILE CA C 13 65.556 0.300 . 1 . . . . 87 Ile CA . 17170 1 914 . 1 1 87 87 ILE CB C 13 38.351 0.300 . 1 . . . . 87 Ile CB . 17170 1 915 . 1 1 87 87 ILE CD1 C 13 13.833 0.300 . 1 . . . . 87 Ile CD1 . 17170 1 916 . 1 1 87 87 ILE CG1 C 13 29.657 0.300 . 1 . . . . 87 Ile CG1 . 17170 1 917 . 1 1 87 87 ILE CG2 C 13 19.348 0.300 . 1 . . . . 87 Ile CG2 . 17170 1 918 . 1 1 87 87 ILE N N 15 119.848 0.300 . 1 . . . . 87 Ile N . 17170 1 919 . 1 1 88 88 ALA H H 1 8.736 0.020 . 1 . . . . 88 Ala H . 17170 1 920 . 1 1 88 88 ALA HA H 1 4.052 0.020 . 1 . . . . 88 Ala HA . 17170 1 921 . 1 1 88 88 ALA HB1 H 1 1.445 0.020 . 1 . . . . 88 Ala QB . 17170 1 922 . 1 1 88 88 ALA HB2 H 1 1.445 0.020 . 1 . . . . 88 Ala QB . 17170 1 923 . 1 1 88 88 ALA HB3 H 1 1.445 0.020 . 1 . . . . 88 Ala QB . 17170 1 924 . 1 1 88 88 ALA C C 13 179.184 0.300 . 1 . . . . 88 Ala C . 17170 1 925 . 1 1 88 88 ALA CA C 13 55.377 0.300 . 1 . . . . 88 Ala CA . 17170 1 926 . 1 1 88 88 ALA CB C 13 17.747 0.300 . 1 . . . . 88 Ala CB . 17170 1 927 . 1 1 88 88 ALA N N 15 119.439 0.300 . 1 . . . . 88 Ala N . 17170 1 928 . 1 1 89 89 LYS H H 1 7.339 0.020 . 1 . . . . 89 Lys H . 17170 1 929 . 1 1 89 89 LYS HA H 1 3.923 0.020 . 1 . . . . 89 Lys HA . 17170 1 930 . 1 1 89 89 LYS HB2 H 1 1.480 0.020 . 2 . . . . 89 Lys QB . 17170 1 931 . 1 1 89 89 LYS HB3 H 1 1.480 0.020 . 2 . . . . 89 Lys QB . 17170 1 932 . 1 1 89 89 LYS HD2 H 1 1.689 0.020 . 2 . . . . 89 Lys QD . 17170 1 933 . 1 1 89 89 LYS HD3 H 1 1.689 0.020 . 2 . . . . 89 Lys QD . 17170 1 934 . 1 1 89 89 LYS HE2 H 1 2.830 0.020 . 2 . . . . 89 Lys QE . 17170 1 935 . 1 1 89 89 LYS HE3 H 1 2.830 0.020 . 2 . . . . 89 Lys QE . 17170 1 936 . 1 1 89 89 LYS HG2 H 1 1.375 0.020 . 2 . . . . 89 Lys QG . 17170 1 937 . 1 1 89 89 LYS HG3 H 1 1.375 0.020 . 2 . . . . 89 Lys QG . 17170 1 938 . 1 1 89 89 LYS C C 13 177.888 0.300 . 1 . . . . 89 Lys C . 17170 1 939 . 1 1 89 89 LYS CA C 13 58.292 0.300 . 1 . . . . 89 Lys CA . 17170 1 940 . 1 1 89 89 LYS CB C 13 31.183 0.300 . 1 . . . . 89 Lys CB . 17170 1 941 . 1 1 89 89 LYS CD C 13 28.597 0.300 . 1 . . . . 89 Lys CD . 17170 1 942 . 1 1 89 89 LYS CE C 13 41.969 0.300 . 1 . . . . 89 Lys CE . 17170 1 943 . 1 1 89 89 LYS CG C 13 24.251 0.300 . 1 . . . . 89 Lys CG . 17170 1 944 . 1 1 89 89 LYS N N 15 116.263 0.300 . 1 . . . . 89 Lys N . 17170 1 945 . 1 1 90 90 PHE H H 1 8.106 0.020 . 1 . . . . 90 Phe H . 17170 1 946 . 1 1 90 90 PHE HA H 1 4.288 0.020 . 1 . . . . 90 Phe HA . 17170 1 947 . 1 1 90 90 PHE HB2 H 1 2.898 0.020 . 2 . . . . 90 Phe QB . 17170 1 948 . 1 1 90 90 PHE HB3 H 1 2.898 0.020 . 2 . . . . 90 Phe QB . 17170 1 949 . 1 1 90 90 PHE C C 13 173.331 0.300 . 1 . . . . 90 Phe C . 17170 1 950 . 1 1 90 90 PHE CA C 13 58.371 0.300 . 1 . . . . 90 Phe CA . 17170 1 951 . 1 1 90 90 PHE CB C 13 38.166 0.300 . 1 . . . . 90 Phe CB . 17170 1 952 . 1 1 90 90 PHE N N 15 115.437 0.300 . 1 . . . . 90 Phe N . 17170 1 953 . 1 1 91 91 PHE H H 1 7.738 0.020 . 1 . . . . 91 Phe H . 17170 1 954 . 1 1 91 91 PHE HA H 1 4.729 0.020 . 1 . . . . 91 Phe HA . 17170 1 955 . 1 1 91 91 PHE HB2 H 1 3.091 0.020 . 2 . . . . 91 Phe QB . 17170 1 956 . 1 1 91 91 PHE HB3 H 1 3.091 0.020 . 2 . . . . 91 Phe QB . 17170 1 957 . 1 1 91 91 PHE C C 13 171.602 0.300 . 1 . . . . 91 Phe C . 17170 1 958 . 1 1 91 91 PHE CA C 13 55.213 0.300 . 1 . . . . 91 Phe CA . 17170 1 959 . 1 1 91 91 PHE CB C 13 40.292 0.300 . 1 . . . . 91 Phe CB . 17170 1 960 . 1 1 91 91 PHE N N 15 118.504 0.300 . 1 . . . . 91 Phe N . 17170 1 961 . 1 1 92 92 PRO HA H 1 4.326 0.020 . 1 . . . . 92 Pro HA . 17170 1 962 . 1 1 92 92 PRO HB2 H 1 2.347 0.020 . 2 . . . . 92 Pro HB2 . 17170 1 963 . 1 1 92 92 PRO HB3 H 1 1.934 0.020 . 2 . . . . 92 Pro HB3 . 17170 1 964 . 1 1 92 92 PRO HD2 H 1 3.707 0.020 . 2 . . . . 92 Pro QD . 17170 1 965 . 1 1 92 92 PRO HD3 H 1 3.707 0.020 . 2 . . . . 92 Pro QD . 17170 1 966 . 1 1 92 92 PRO HG2 H 1 2.196 0.020 . 2 . . . . 92 Pro HG2 . 17170 1 967 . 1 1 92 92 PRO HG3 H 1 2.043 0.020 . 2 . . . . 92 Pro HG3 . 17170 1 968 . 1 1 92 92 PRO C C 13 178.388 0.300 . 1 . . . . 92 Pro C . 17170 1 969 . 1 1 92 92 PRO CA C 13 64.041 0.300 . 1 . . . . 92 Pro CA . 17170 1 970 . 1 1 92 92 PRO CB C 13 31.269 0.300 . 1 . . . . 92 Pro CB . 17170 1 971 . 1 1 92 92 PRO CD C 13 50.569 0.300 . 1 . . . . 92 Pro CD . 17170 1 972 . 1 1 92 92 PRO CG C 13 27.326 0.300 . 1 . . . . 92 Pro CG . 17170 1 973 . 1 1 93 93 GLY H H 1 8.704 0.020 . 1 . . . . 93 Gly H . 17170 1 974 . 1 1 93 93 GLY HA2 H 1 4.106 0.020 . 1 . . . . 93 Gly HA2 . 17170 1 975 . 1 1 93 93 GLY HA3 H 1 3.768 0.020 . 1 . . . . 93 Gly HA3 . 17170 1 976 . 1 1 93 93 GLY C C 13 173.485 0.300 . 1 . . . . 93 Gly C . 17170 1 977 . 1 1 93 93 GLY CA C 13 44.885 0.300 . 1 . . . . 93 Gly CA . 17170 1 978 . 1 1 93 93 GLY N N 15 112.404 0.300 . 1 . . . . 93 Gly N . 17170 1 979 . 1 1 94 94 ARG H H 1 8.096 0.020 . 1 . . . . 94 Arg H . 17170 1 980 . 1 1 94 94 ARG HA H 1 5.240 0.020 . 1 . . . . 94 Arg HA . 17170 1 981 . 1 1 94 94 ARG HB2 H 1 2.143 0.020 . 2 . . . . 94 Arg HB2 . 17170 1 982 . 1 1 94 94 ARG HB3 H 1 1.905 0.020 . 2 . . . . 94 Arg HB3 . 17170 1 983 . 1 1 94 94 ARG HD2 H 1 2.762 0.020 . 2 . . . . 94 Arg QD . 17170 1 984 . 1 1 94 94 ARG HD3 H 1 2.762 0.020 . 2 . . . . 94 Arg QD . 17170 1 985 . 1 1 94 94 ARG HG2 H 1 1.467 0.020 . 2 . . . . 94 Arg HG2 . 17170 1 986 . 1 1 94 94 ARG HG3 H 1 1.260 0.020 . 2 . . . . 94 Arg HG3 . 17170 1 987 . 1 1 94 94 ARG C C 13 176.103 0.300 . 1 . . . . 94 Arg C . 17170 1 988 . 1 1 94 94 ARG CA C 13 52.410 0.300 . 1 . . . . 94 Arg CA . 17170 1 989 . 1 1 94 94 ARG CB C 13 32.443 0.300 . 1 . . . . 94 Arg CB . 17170 1 990 . 1 1 94 94 ARG CD C 13 43.195 0.300 . 1 . . . . 94 Arg CD . 17170 1 991 . 1 1 94 94 ARG CG C 13 26.814 0.300 . 1 . . . . 94 Arg CG . 17170 1 992 . 1 1 94 94 ARG N N 15 116.727 0.300 . 1 . . . . 94 Arg N . 17170 1 993 . 1 1 95 95 THR H H 1 9.832 0.020 . 1 . . . . 95 Thr H . 17170 1 994 . 1 1 95 95 THR HA H 1 4.860 0.020 . 1 . . . . 95 Thr HA . 17170 1 995 . 1 1 95 95 THR HB H 1 4.532 0.020 . 1 . . . . 95 Thr HB . 17170 1 996 . 1 1 95 95 THR HG21 H 1 1.086 0.020 . 1 . . . . 95 Thr QG2 . 17170 1 997 . 1 1 95 95 THR HG22 H 1 1.086 0.020 . 1 . . . . 95 Thr QG2 . 17170 1 998 . 1 1 95 95 THR HG23 H 1 1.086 0.020 . 1 . . . . 95 Thr QG2 . 17170 1 999 . 1 1 95 95 THR C C 13 174.806 0.300 . 1 . . . . 95 Thr C . 17170 1 1000 . 1 1 95 95 THR CA C 13 58.963 0.300 . 1 . . . . 95 Thr CA . 17170 1 1001 . 1 1 95 95 THR CB C 13 71.433 0.300 . 1 . . . . 95 Thr CB . 17170 1 1002 . 1 1 95 95 THR CG2 C 13 21.572 0.300 . 1 . . . . 95 Thr CG2 . 17170 1 1003 . 1 1 95 95 THR N N 15 113.659 0.300 . 1 . . . . 95 Thr N . 17170 1 1004 . 1 1 96 96 ASP H H 1 9.195 0.020 . 1 . . . . 96 Asp H . 17170 1 1005 . 1 1 96 96 ASP HA H 1 3.824 0.020 . 1 . . . . 96 Asp HA . 17170 1 1006 . 1 1 96 96 ASP HB2 H 1 2.698 0.020 . 2 . . . . 96 Asp HB2 . 17170 1 1007 . 1 1 96 96 ASP HB3 H 1 2.329 0.020 . 2 . . . . 96 Asp HB3 . 17170 1 1008 . 1 1 96 96 ASP C C 13 177.005 0.300 . 1 . . . . 96 Asp C . 17170 1 1009 . 1 1 96 96 ASP CA C 13 57.235 0.300 . 1 . . . . 96 Asp CA . 17170 1 1010 . 1 1 96 96 ASP CB C 13 38.204 0.300 . 1 . . . . 96 Asp CB . 17170 1 1011 . 1 1 96 96 ASP N N 15 117.254 0.300 . 1 . . . . 96 Asp N . 17170 1 1012 . 1 1 97 97 ILE H H 1 7.195 0.020 . 1 . . . . 97 Ile H . 17170 1 1013 . 1 1 97 97 ILE HA H 1 3.327 0.020 . 1 . . . . 97 Ile HA . 17170 1 1014 . 1 1 97 97 ILE HB H 1 1.065 0.020 . 1 . . . . 97 Ile HB . 17170 1 1015 . 1 1 97 97 ILE HD11 H 1 0.416 0.020 . 1 . . . . 97 Ile QD1 . 17170 1 1016 . 1 1 97 97 ILE HD12 H 1 0.416 0.020 . 1 . . . . 97 Ile QD1 . 17170 1 1017 . 1 1 97 97 ILE HD13 H 1 0.416 0.020 . 1 . . . . 97 Ile QD1 . 17170 1 1018 . 1 1 97 97 ILE HG12 H 1 1.150 0.020 . 2 . . . . 97 Ile HG12 . 17170 1 1019 . 1 1 97 97 ILE HG13 H 1 1.109 0.020 . 2 . . . . 97 Ile HG13 . 17170 1 1020 . 1 1 97 97 ILE HG21 H 1 0.602 0.020 . 1 . . . . 97 Ile QG2 . 17170 1 1021 . 1 1 97 97 ILE HG22 H 1 0.602 0.020 . 1 . . . . 97 Ile QG2 . 17170 1 1022 . 1 1 97 97 ILE HG23 H 1 0.602 0.020 . 1 . . . . 97 Ile QG2 . 17170 1 1023 . 1 1 97 97 ILE C C 13 176.398 0.300 . 1 . . . . 97 Ile C . 17170 1 1024 . 1 1 97 97 ILE CA C 13 62.121 0.300 . 1 . . . . 97 Ile CA . 17170 1 1025 . 1 1 97 97 ILE CB C 13 37.695 0.300 . 1 . . . . 97 Ile CB . 17170 1 1026 . 1 1 97 97 ILE CD1 C 13 10.627 0.300 . 1 . . . . 97 Ile CD1 . 17170 1 1027 . 1 1 97 97 ILE CG1 C 13 27.706 0.300 . 1 . . . . 97 Ile CG1 . 17170 1 1028 . 1 1 97 97 ILE CG2 C 13 17.440 0.300 . 1 . . . . 97 Ile CG2 . 17170 1 1029 . 1 1 97 97 ILE N N 15 119.902 0.300 . 1 . . . . 97 Ile N . 17170 1 1030 . 1 1 98 98 HIS H H 1 6.419 0.020 . 1 . . . . 98 His H . 17170 1 1031 . 1 1 98 98 HIS HA H 1 4.845 0.020 . 1 . . . . 98 His HA . 17170 1 1032 . 1 1 98 98 HIS HB2 H 1 3.741 0.020 . 2 . . . . 98 His HB2 . 17170 1 1033 . 1 1 98 98 HIS HB3 H 1 3.375 0.020 . 2 . . . . 98 His HB3 . 17170 1 1034 . 1 1 98 98 HIS C C 13 179.533 0.300 . 1 . . . . 98 His C . 17170 1 1035 . 1 1 98 98 HIS CA C 13 58.305 0.300 . 1 . . . . 98 His CA . 17170 1 1036 . 1 1 98 98 HIS CB C 13 32.611 0.300 . 1 . . . . 98 His CB . 17170 1 1037 . 1 1 98 98 HIS N N 15 118.311 0.300 . 1 . . . . 98 His N . 17170 1 1038 . 1 1 99 99 ILE H H 1 8.012 0.020 . 1 . . . . 99 Ile H . 17170 1 1039 . 1 1 99 99 ILE HA H 1 3.621 0.020 . 1 . . . . 99 Ile HA . 17170 1 1040 . 1 1 99 99 ILE HB H 1 1.658 0.020 . 1 . . . . 99 Ile HB . 17170 1 1041 . 1 1 99 99 ILE HD11 H 1 0.669 0.020 . 1 . . . . 99 Ile QD1 . 17170 1 1042 . 1 1 99 99 ILE HD12 H 1 0.669 0.020 . 1 . . . . 99 Ile QD1 . 17170 1 1043 . 1 1 99 99 ILE HD13 H 1 0.669 0.020 . 1 . . . . 99 Ile QD1 . 17170 1 1044 . 1 1 99 99 ILE HG12 H 1 1.415 0.020 . 2 . . . . 99 Ile HG12 . 17170 1 1045 . 1 1 99 99 ILE HG13 H 1 1.036 0.020 . 2 . . . . 99 Ile HG13 . 17170 1 1046 . 1 1 99 99 ILE HG21 H 1 0.252 0.020 . 1 . . . . 99 Ile QG2 . 17170 1 1047 . 1 1 99 99 ILE HG22 H 1 0.252 0.020 . 1 . . . . 99 Ile QG2 . 17170 1 1048 . 1 1 99 99 ILE HG23 H 1 0.252 0.020 . 1 . . . . 99 Ile QG2 . 17170 1 1049 . 1 1 99 99 ILE C C 13 175.951 0.300 . 1 . . . . 99 Ile C . 17170 1 1050 . 1 1 99 99 ILE CA C 13 63.735 0.300 . 1 . . . . 99 Ile CA . 17170 1 1051 . 1 1 99 99 ILE CB C 13 37.070 0.300 . 1 . . . . 99 Ile CB . 17170 1 1052 . 1 1 99 99 ILE CD1 C 13 12.034 0.300 . 1 . . . . 99 Ile CD1 . 17170 1 1053 . 1 1 99 99 ILE CG1 C 13 27.822 0.300 . 1 . . . . 99 Ile CG1 . 17170 1 1054 . 1 1 99 99 ILE CG2 C 13 16.205 0.300 . 1 . . . . 99 Ile CG2 . 17170 1 1055 . 1 1 99 99 ILE N N 15 118.643 0.300 . 1 . . . . 99 Ile N . 17170 1 1056 . 1 1 100 100 LYS H H 1 7.626 0.020 . 1 . . . . 100 Lys H . 17170 1 1057 . 1 1 100 100 LYS HA H 1 4.060 0.020 . 1 . . . . 100 Lys HA . 17170 1 1058 . 1 1 100 100 LYS HB2 H 1 1.890 0.020 . 2 . . . . 100 Lys QB . 17170 1 1059 . 1 1 100 100 LYS HB3 H 1 1.890 0.020 . 2 . . . . 100 Lys QB . 17170 1 1060 . 1 1 100 100 LYS HD2 H 1 1.834 0.020 . 2 . . . . 100 Lys HD2 . 17170 1 1061 . 1 1 100 100 LYS HD3 H 1 1.615 0.020 . 2 . . . . 100 Lys HD3 . 17170 1 1062 . 1 1 100 100 LYS HE2 H 1 3.211 0.020 . 2 . . . . 100 Lys HE2 . 17170 1 1063 . 1 1 100 100 LYS HE3 H 1 3.144 0.020 . 2 . . . . 100 Lys HE3 . 17170 1 1064 . 1 1 100 100 LYS C C 13 178.758 0.300 . 1 . . . . 100 Lys C . 17170 1 1065 . 1 1 100 100 LYS CA C 13 58.687 0.300 . 1 . . . . 100 Lys CA . 17170 1 1066 . 1 1 100 100 LYS CB C 13 30.194 0.300 . 1 . . . . 100 Lys CB . 17170 1 1067 . 1 1 100 100 LYS CD C 13 27.371 0.300 . 1 . . . . 100 Lys CD . 17170 1 1068 . 1 1 100 100 LYS CE C 13 43.640 0.300 . 1 . . . . 100 Lys CE . 17170 1 1069 . 1 1 100 100 LYS CG C 13 24.697 0.300 . 1 . . . . 100 Lys CG . 17170 1 1070 . 1 1 100 100 LYS N N 15 120.557 0.300 . 1 . . . . 100 Lys N . 17170 1 1071 . 1 1 101 101 ASN H H 1 7.382 0.020 . 1 . . . . 101 Asn H . 17170 1 1072 . 1 1 101 101 ASN HA H 1 4.253 0.020 . 1 . . . . 101 Asn HA . 17170 1 1073 . 1 1 101 101 ASN HB2 H 1 2.818 0.020 . 2 . . . . 101 Asn QB . 17170 1 1074 . 1 1 101 101 ASN HB3 H 1 2.818 0.020 . 2 . . . . 101 Asn QB . 17170 1 1075 . 1 1 101 101 ASN C C 13 177.904 0.300 . 1 . . . . 101 Asn C . 17170 1 1076 . 1 1 101 101 ASN CA C 13 55.413 0.300 . 1 . . . . 101 Asn CA . 17170 1 1077 . 1 1 101 101 ASN CB C 13 37.655 0.300 . 1 . . . . 101 Asn CB . 17170 1 1078 . 1 1 101 101 ASN N N 15 117.264 0.300 . 1 . . . . 101 Asn N . 17170 1 1079 . 1 1 102 102 ARG H H 1 7.846 0.020 . 1 . . . . 102 Arg H . 17170 1 1080 . 1 1 102 102 ARG HA H 1 3.653 0.020 . 1 . . . . 102 Arg HA . 17170 1 1081 . 1 1 102 102 ARG C C 13 177.933 0.300 . 1 . . . . 102 Arg C . 17170 1 1082 . 1 1 102 102 ARG CA C 13 56.673 0.300 . 1 . . . . 102 Arg CA . 17170 1 1083 . 1 1 102 102 ARG CB C 13 29.081 0.300 . 1 . . . . 102 Arg CB . 17170 1 1084 . 1 1 102 102 ARG N N 15 121.670 0.300 . 1 . . . . 102 Arg N . 17170 1 1085 . 1 1 103 103 TRP H H 1 8.105 0.020 . 1 . . . . 103 Trp H . 17170 1 1086 . 1 1 103 103 TRP HA H 1 4.416 0.020 . 1 . . . . 103 Trp HA . 17170 1 1087 . 1 1 103 103 TRP HB2 H 1 3.189 0.020 . 2 . . . . 103 Trp HB2 . 17170 1 1088 . 1 1 103 103 TRP HB3 H 1 3.048 0.020 . 2 . . . . 103 Trp HB3 . 17170 1 1089 . 1 1 103 103 TRP C C 13 177.834 0.300 . 1 . . . . 103 Trp C . 17170 1 1090 . 1 1 103 103 TRP CA C 13 58.805 0.300 . 1 . . . . 103 Trp CA . 17170 1 1091 . 1 1 103 103 TRP CB C 13 29.774 0.300 . 1 . . . . 103 Trp CB . 17170 1 1092 . 1 1 103 103 TRP N N 15 117.972 0.300 . 1 . . . . 103 Trp N . 17170 1 1093 . 1 1 104 104 VAL H H 1 7.411 0.020 . 1 . . . . 104 Val H . 17170 1 1094 . 1 1 104 104 VAL HA H 1 3.043 0.020 . 1 . . . . 104 Val HA . 17170 1 1095 . 1 1 104 104 VAL HB H 1 2.058 0.020 . 1 . . . . 104 Val HB . 17170 1 1096 . 1 1 104 104 VAL HG11 H 1 0.996 0.020 . 2 . . . . 104 Val QG1 . 17170 1 1097 . 1 1 104 104 VAL HG12 H 1 0.996 0.020 . 2 . . . . 104 Val QG1 . 17170 1 1098 . 1 1 104 104 VAL HG13 H 1 0.996 0.020 . 2 . . . . 104 Val QG1 . 17170 1 1099 . 1 1 104 104 VAL HG21 H 1 0.743 0.020 . 2 . . . . 104 Val QG2 . 17170 1 1100 . 1 1 104 104 VAL HG22 H 1 0.743 0.020 . 2 . . . . 104 Val QG2 . 17170 1 1101 . 1 1 104 104 VAL HG23 H 1 0.743 0.020 . 2 . . . . 104 Val QG2 . 17170 1 1102 . 1 1 104 104 VAL C C 13 177.806 0.300 . 1 . . . . 104 Val C . 17170 1 1103 . 1 1 104 104 VAL CA C 13 67.283 0.300 . 1 . . . . 104 Val CA . 17170 1 1104 . 1 1 104 104 VAL CB C 13 31.067 0.300 . 1 . . . . 104 Val CB . 17170 1 1105 . 1 1 104 104 VAL CG1 C 13 21.602 0.300 . 2 . . . . 104 Val CG1 . 17170 1 1106 . 1 1 104 104 VAL CG2 C 13 21.117 0.300 . 2 . . . . 104 Val CG2 . 17170 1 1107 . 1 1 104 104 VAL N N 15 120.056 0.300 . 1 . . . . 104 Val N . 17170 1 1108 . 1 1 105 105 THR H H 1 7.140 0.020 . 1 . . . . 105 Thr H . 17170 1 1109 . 1 1 105 105 THR HA H 1 3.981 0.020 . 1 . . . . 105 Thr HA . 17170 1 1110 . 1 1 105 105 THR HB H 1 3.973 0.020 . 1 . . . . 105 Thr HB . 17170 1 1111 . 1 1 105 105 THR HG21 H 1 1.151 0.020 . 1 . . . . 105 Thr QG2 . 17170 1 1112 . 1 1 105 105 THR HG22 H 1 1.151 0.020 . 1 . . . . 105 Thr QG2 . 17170 1 1113 . 1 1 105 105 THR HG23 H 1 1.151 0.020 . 1 . . . . 105 Thr QG2 . 17170 1 1114 . 1 1 105 105 THR C C 13 177.822 0.300 . 1 . . . . 105 Thr C . 17170 1 1115 . 1 1 105 105 THR CA C 13 66.108 0.300 . 1 . . . . 105 Thr CA . 17170 1 1116 . 1 1 105 105 THR CB C 13 69.088 0.300 . 1 . . . . 105 Thr CB . 17170 1 1117 . 1 1 105 105 THR CG2 C 13 21.776 0.300 . 1 . . . . 105 Thr CG2 . 17170 1 1118 . 1 1 105 105 THR N N 15 115.790 0.300 . 1 . . . . 105 Thr N . 17170 1 1119 . 1 1 106 106 ILE H H 1 8.440 0.020 . 1 . . . . 106 Ile H . 17170 1 1120 . 1 1 106 106 ILE HA H 1 3.621 0.020 . 1 . . . . 106 Ile HA . 17170 1 1121 . 1 1 106 106 ILE HB H 1 1.658 0.020 . 1 . . . . 106 Ile HB . 17170 1 1122 . 1 1 106 106 ILE HD11 H 1 0.669 0.020 . 1 . . . . 106 Ile QD1 . 17170 1 1123 . 1 1 106 106 ILE HD12 H 1 0.669 0.020 . 1 . . . . 106 Ile QD1 . 17170 1 1124 . 1 1 106 106 ILE HD13 H 1 0.669 0.020 . 1 . . . . 106 Ile QD1 . 17170 1 1125 . 1 1 106 106 ILE HG12 H 1 1.415 0.020 . 2 . . . . 106 Ile HG12 . 17170 1 1126 . 1 1 106 106 ILE HG13 H 1 1.036 0.020 . 2 . . . . 106 Ile HG13 . 17170 1 1127 . 1 1 106 106 ILE HG21 H 1 0.252 0.020 . 1 . . . . 106 Ile QG2 . 17170 1 1128 . 1 1 106 106 ILE HG22 H 1 0.252 0.020 . 1 . . . . 106 Ile QG2 . 17170 1 1129 . 1 1 106 106 ILE HG23 H 1 0.252 0.020 . 1 . . . . 106 Ile QG2 . 17170 1 1130 . 1 1 106 106 ILE C C 13 177.970 0.300 . 1 . . . . 106 Ile C . 17170 1 1131 . 1 1 106 106 ILE CA C 13 63.735 0.300 . 1 . . . . 106 Ile CA . 17170 1 1132 . 1 1 106 106 ILE CB C 13 37.070 0.300 . 1 . . . . 106 Ile CB . 17170 1 1133 . 1 1 106 106 ILE CD1 C 13 12.034 0.300 . 1 . . . . 106 Ile CD1 . 17170 1 1134 . 1 1 106 106 ILE CG1 C 13 27.822 0.300 . 1 . . . . 106 Ile CG1 . 17170 1 1135 . 1 1 106 106 ILE CG2 C 13 16.205 0.300 . 1 . . . . 106 Ile CG2 . 17170 1 1136 . 1 1 106 106 ILE N N 15 118.811 0.300 . 1 . . . . 106 Ile N . 17170 1 1137 . 1 1 107 107 SER H H 1 8.105 0.020 . 1 . . . . 107 Ser H . 17170 1 1138 . 1 1 107 107 SER HA H 1 4.317 0.020 . 1 . . . . 107 Ser HA . 17170 1 1139 . 1 1 107 107 SER HB2 H 1 4.357 0.020 . 2 . . . . 107 Ser QB . 17170 1 1140 . 1 1 107 107 SER HB3 H 1 4.357 0.020 . 2 . . . . 107 Ser QB . 17170 1 1141 . 1 1 107 107 SER CA C 13 61.623 0.300 . 1 . . . . 107 Ser CA . 17170 1 1142 . 1 1 107 107 SER CB C 13 69.632 0.300 . 1 . . . . 107 Ser CB . 17170 1 1143 . 1 1 107 107 SER N N 15 116.614 0.300 . 1 . . . . 107 Ser N . 17170 1 1144 . 1 1 108 108 ASN H H 1 7.260 0.020 . 1 . . . . 108 Asn H . 17170 1 1145 . 1 1 108 108 ASN HA H 1 4.443 0.020 . 1 . . . . 108 Asn HA . 17170 1 1146 . 1 1 108 108 ASN HB2 H 1 2.808 0.020 . 2 . . . . 108 Asn HB2 . 17170 1 1147 . 1 1 108 108 ASN HB3 H 1 2.719 0.020 . 2 . . . . 108 Asn HB3 . 17170 1 1148 . 1 1 108 108 ASN C C 13 176.989 0.300 . 1 . . . . 108 Asn C . 17170 1 1149 . 1 1 108 108 ASN CA C 13 55.405 0.300 . 1 . . . . 108 Asn CA . 17170 1 1150 . 1 1 108 108 ASN CB C 13 38.740 0.300 . 1 . . . . 108 Asn CB . 17170 1 1151 . 1 1 108 108 ASN N N 15 119.557 0.300 . 1 . . . . 108 Asn N . 17170 1 1152 . 1 1 109 109 LYS H H 1 7.620 0.020 . 1 . . . . 109 Lys H . 17170 1 1153 . 1 1 109 109 LYS HA H 1 4.107 0.020 . 1 . . . . 109 Lys HA . 17170 1 1154 . 1 1 109 109 LYS HB2 H 1 1.805 0.020 . 2 . . . . 109 Lys QB . 17170 1 1155 . 1 1 109 109 LYS HB3 H 1 1.805 0.020 . 2 . . . . 109 Lys QB . 17170 1 1156 . 1 1 109 109 LYS HD2 H 1 1.565 0.020 . 2 . . . . 109 Lys QD . 17170 1 1157 . 1 1 109 109 LYS HD3 H 1 1.565 0.020 . 2 . . . . 109 Lys QD . 17170 1 1158 . 1 1 109 109 LYS HE2 H 1 2.884 0.020 . 2 . . . . 109 Lys QE . 17170 1 1159 . 1 1 109 109 LYS HE3 H 1 2.884 0.020 . 2 . . . . 109 Lys QE . 17170 1 1160 . 1 1 109 109 LYS HG2 H 1 1.450 0.020 . 2 . . . . 109 Lys HG2 . 17170 1 1161 . 1 1 109 109 LYS HG3 H 1 1.346 0.020 . 2 . . . . 109 Lys HG3 . 17170 1 1162 . 1 1 109 109 LYS C C 13 177.908 0.300 . 1 . . . . 109 Lys C . 17170 1 1163 . 1 1 109 109 LYS CA C 13 57.937 0.300 . 1 . . . . 109 Lys CA . 17170 1 1164 . 1 1 109 109 LYS CB C 13 32.629 0.300 . 1 . . . . 109 Lys CB . 17170 1 1165 . 1 1 109 109 LYS CD C 13 28.708 0.300 . 1 . . . . 109 Lys CD . 17170 1 1166 . 1 1 109 109 LYS CE C 13 41.969 0.300 . 1 . . . . 109 Lys CE . 17170 1 1167 . 1 1 109 109 LYS CG C 13 24.586 0.300 . 1 . . . . 109 Lys CG . 17170 1 1168 . 1 1 109 109 LYS N N 15 119.697 0.300 . 1 . . . . 109 Lys N . 17170 1 1169 . 1 1 110 110 LEU H H 1 7.874 0.020 . 1 . . . . 110 Leu H . 17170 1 1170 . 1 1 110 110 LEU HA H 1 4.196 0.020 . 1 . . . . 110 Leu HA . 17170 1 1171 . 1 1 110 110 LEU HB2 H 1 1.614 0.020 . 2 . . . . 110 Leu HB2 . 17170 1 1172 . 1 1 110 110 LEU HB3 H 1 1.475 0.020 . 2 . . . . 110 Leu HB3 . 17170 1 1173 . 1 1 110 110 LEU HD11 H 1 0.813 0.020 . 2 . . . . 110 Leu QD1 . 17170 1 1174 . 1 1 110 110 LEU HD12 H 1 0.813 0.020 . 2 . . . . 110 Leu QD1 . 17170 1 1175 . 1 1 110 110 LEU HD13 H 1 0.813 0.020 . 2 . . . . 110 Leu QD1 . 17170 1 1176 . 1 1 110 110 LEU HD21 H 1 0.757 0.020 . 2 . . . . 110 Leu QD2 . 17170 1 1177 . 1 1 110 110 LEU HD22 H 1 0.757 0.020 . 2 . . . . 110 Leu QD2 . 17170 1 1178 . 1 1 110 110 LEU HD23 H 1 0.757 0.020 . 2 . . . . 110 Leu QD2 . 17170 1 1179 . 1 1 110 110 LEU HG H 1 1.554 0.020 . 1 . . . . 110 Leu HG . 17170 1 1180 . 1 1 110 110 LEU C C 13 177.882 0.300 . 1 . . . . 110 Leu C . 17170 1 1181 . 1 1 110 110 LEU CA C 13 55.415 0.300 . 1 . . . . 110 Leu CA . 17170 1 1182 . 1 1 110 110 LEU CB C 13 42.888 0.300 . 1 . . . . 110 Leu CB . 17170 1 1183 . 1 1 110 110 LEU CD1 C 13 24.823 0.300 . 2 . . . . 110 Leu CD1 . 17170 1 1184 . 1 1 110 110 LEU CD2 C 13 23.914 0.300 . 2 . . . . 110 Leu CD2 . 17170 1 1185 . 1 1 110 110 LEU CG C 13 26.902 0.300 . 1 . . . . 110 Leu CG . 17170 1 1186 . 1 1 110 110 LEU N N 15 117.810 0.300 . 1 . . . . 110 Leu N . 17170 1 1187 . 1 1 111 111 GLY H H 1 7.787 0.020 . 1 . . . . 111 Gly H . 17170 1 1188 . 1 1 111 111 GLY HA2 H 1 3.862 0.020 . 2 . . . . 111 Gly QA . 17170 1 1189 . 1 1 111 111 GLY HA3 H 1 3.862 0.020 . 2 . . . . 111 Gly QA . 17170 1 1190 . 1 1 111 111 GLY C C 13 174.363 0.300 . 1 . . . . 111 Gly C . 17170 1 1191 . 1 1 111 111 GLY CA C 13 45.869 0.300 . 1 . . . . 111 Gly CA . 17170 1 1192 . 1 1 111 111 GLY N N 15 108.347 0.300 . 1 . . . . 111 Gly N . 17170 1 1193 . 1 1 112 112 ILE H H 1 7.766 0.020 . 1 . . . . 112 Ile H . 17170 1 1194 . 1 1 112 112 ILE HA H 1 4.309 0.020 . 1 . . . . 112 Ile HA . 17170 1 1195 . 1 1 112 112 ILE HB H 1 1.746 0.020 . 1 . . . . 112 Ile HB . 17170 1 1196 . 1 1 112 112 ILE HD11 H 1 0.835 0.020 . 1 . . . . 112 Ile QD1 . 17170 1 1197 . 1 1 112 112 ILE HD12 H 1 0.835 0.020 . 1 . . . . 112 Ile QD1 . 17170 1 1198 . 1 1 112 112 ILE HD13 H 1 0.835 0.020 . 1 . . . . 112 Ile QD1 . 17170 1 1199 . 1 1 112 112 ILE HG12 H 1 1.426 0.020 . 2 . . . . 112 Ile QG1 . 17170 1 1200 . 1 1 112 112 ILE HG13 H 1 1.426 0.020 . 2 . . . . 112 Ile QG1 . 17170 1 1201 . 1 1 112 112 ILE HG21 H 1 0.963 0.020 . 1 . . . . 112 Ile QG2 . 17170 1 1202 . 1 1 112 112 ILE HG22 H 1 0.963 0.020 . 1 . . . . 112 Ile QG2 . 17170 1 1203 . 1 1 112 112 ILE HG23 H 1 0.963 0.020 . 1 . . . . 112 Ile QG2 . 17170 1 1204 . 1 1 112 112 ILE C C 13 174.432 0.300 . 1 . . . . 112 Ile C . 17170 1 1205 . 1 1 112 112 ILE CA C 13 59.555 0.300 . 1 . . . . 112 Ile CA . 17170 1 1206 . 1 1 112 112 ILE CB C 13 38.530 0.300 . 1 . . . . 112 Ile CB . 17170 1 1207 . 1 1 112 112 ILE CD1 C 13 13.183 0.300 . 1 . . . . 112 Ile CD1 . 17170 1 1208 . 1 1 112 112 ILE CG1 C 13 27.170 0.300 . 1 . . . . 112 Ile CG1 . 17170 1 1209 . 1 1 112 112 ILE CG2 C 13 17.335 0.300 . 1 . . . . 112 Ile CG2 . 17170 1 1210 . 1 1 112 112 ILE N N 15 120.570 0.300 . 1 . . . . 112 Ile N . 17170 1 1211 . 1 1 113 113 PRO HA H 1 4.405 0.020 . 1 . . . . 113 Pro HA . 17170 1 1212 . 1 1 113 113 PRO HB2 H 1 2.293 0.020 . 2 . . . . 113 Pro HB2 . 17170 1 1213 . 1 1 113 113 PRO HB3 H 1 1.888 0.020 . 2 . . . . 113 Pro HB3 . 17170 1 1214 . 1 1 113 113 PRO HD2 H 1 3.917 0.020 . 2 . . . . 113 Pro HD2 . 17170 1 1215 . 1 1 113 113 PRO HD3 H 1 3.681 0.020 . 2 . . . . 113 Pro HD3 . 17170 1 1216 . 1 1 113 113 PRO HG2 H 1 2.229 0.020 . 2 . . . . 113 Pro HG2 . 17170 1 1217 . 1 1 113 113 PRO HG3 H 1 2.011 0.020 . 2 . . . . 113 Pro HG3 . 17170 1 1218 . 1 1 113 113 PRO C C 13 177.379 0.300 . 1 . . . . 113 Pro C . 17170 1 1219 . 1 1 113 113 PRO CA C 13 63.470 0.300 . 1 . . . . 113 Pro CA . 17170 1 1220 . 1 1 113 113 PRO CB C 13 31.940 0.300 . 1 . . . . 113 Pro CB . 17170 1 1221 . 1 1 113 113 PRO CD C 13 50.736 0.300 . 1 . . . . 113 Pro CD . 17170 1 1222 . 1 1 113 113 PRO CG C 13 27.376 0.300 . 1 . . . . 113 Pro CG . 17170 1 1223 . 1 1 114 114 GLN H H 1 8.458 0.020 . 1 . . . . 114 Gln H . 17170 1 1224 . 1 1 114 114 GLN HA H 1 4.353 0.020 . 1 . . . . 114 Gln HA . 17170 1 1225 . 1 1 114 114 GLN HB2 H 1 1.998 0.020 . 2 . . . . 114 Gln QB . 17170 1 1226 . 1 1 114 114 GLN HB3 H 1 1.998 0.020 . 2 . . . . 114 Gln QB . 17170 1 1227 . 1 1 114 114 GLN HG2 H 1 2.377 0.020 . 2 . . . . 114 Gln QG . 17170 1 1228 . 1 1 114 114 GLN HG3 H 1 2.377 0.020 . 2 . . . . 114 Gln QG . 17170 1 1229 . 1 1 114 114 GLN C C 13 177.001 0.300 . 1 . . . . 114 Gln C . 17170 1 1230 . 1 1 114 114 GLN CA C 13 56.632 0.300 . 1 . . . . 114 Gln CA . 17170 1 1231 . 1 1 114 114 GLN CB C 13 29.265 0.300 . 1 . . . . 114 Gln CB . 17170 1 1232 . 1 1 114 114 GLN CG C 13 34.072 0.300 . 1 . . . . 114 Gln CG . 17170 1 1233 . 1 1 114 114 GLN N N 15 120.339 0.300 . 1 . . . . 114 Gln N . 17170 1 1234 . 1 1 115 115 THR H H 1 7.917 0.020 . 1 . . . . 115 Thr H . 17170 1 1235 . 1 1 115 115 THR HA H 1 4.296 0.020 . 1 . . . . 115 Thr HA . 17170 1 1236 . 1 1 115 115 THR HB H 1 4.334 0.020 . 1 . . . . 115 Thr HB . 17170 1 1237 . 1 1 115 115 THR HG21 H 1 1.199 0.020 . 1 . . . . 115 Thr QG2 . 17170 1 1238 . 1 1 115 115 THR HG22 H 1 1.199 0.020 . 1 . . . . 115 Thr QG2 . 17170 1 1239 . 1 1 115 115 THR HG23 H 1 1.199 0.020 . 1 . . . . 115 Thr QG2 . 17170 1 1240 . 1 1 115 115 THR C C 13 175.065 0.300 . 1 . . . . 115 Thr C . 17170 1 1241 . 1 1 115 115 THR CA C 13 61.930 0.300 . 1 . . . . 115 Thr CA . 17170 1 1242 . 1 1 115 115 THR CB C 13 69.672 0.300 . 1 . . . . 115 Thr CB . 17170 1 1243 . 1 1 115 115 THR CG2 C 13 21.554 0.300 . 1 . . . . 115 Thr CG2 . 17170 1 1244 . 1 1 115 115 THR N N 15 113.688 0.300 . 1 . . . . 115 Thr N . 17170 1 1245 . 1 1 116 116 GLN H H 1 8.377 0.020 . 1 . . . . 116 Gln H . 17170 1 1246 . 1 1 116 116 GLN HA H 1 4.152 0.020 . 1 . . . . 116 Gln HA . 17170 1 1247 . 1 1 116 116 GLN HB2 H 1 2.014 0.020 . 2 . . . . 116 Gln QB . 17170 1 1248 . 1 1 116 116 GLN HB3 H 1 2.014 0.020 . 2 . . . . 116 Gln QB . 17170 1 1249 . 1 1 116 116 GLN HG2 H 1 2.309 0.020 . 2 . . . . 116 Gln QG . 17170 1 1250 . 1 1 116 116 GLN HG3 H 1 2.309 0.020 . 2 . . . . 116 Gln QG . 17170 1 1251 . 1 1 116 116 GLN C C 13 176.854 0.300 . 1 . . . . 116 Gln C . 17170 1 1252 . 1 1 116 116 GLN CA C 13 57.181 0.300 . 1 . . . . 116 Gln CA . 17170 1 1253 . 1 1 116 116 GLN CB C 13 28.684 0.300 . 1 . . . . 116 Gln CB . 17170 1 1254 . 1 1 116 116 GLN CG C 13 34.011 0.300 . 1 . . . . 116 Gln CG . 17170 1 1255 . 1 1 116 116 GLN N N 15 121.544 0.300 . 1 . . . . 116 Gln N . 17170 1 1256 . 1 1 117 117 GLN H H 1 8.238 0.020 . 1 . . . . 117 Gln H . 17170 1 1257 . 1 1 117 117 GLN HA H 1 4.170 0.020 . 1 . . . . 117 Gln HA . 17170 1 1258 . 1 1 117 117 GLN HB2 H 1 2.024 0.020 . 2 . . . . 117 Gln HB2 . 17170 1 1259 . 1 1 117 117 GLN HB3 H 1 1.970 0.020 . 2 . . . . 117 Gln HB3 . 17170 1 1260 . 1 1 117 117 GLN HG2 H 1 2.324 0.020 . 2 . . . . 117 Gln QG . 17170 1 1261 . 1 1 117 117 GLN HG3 H 1 2.324 0.020 . 2 . . . . 117 Gln QG . 17170 1 1262 . 1 1 117 117 GLN C C 13 176.741 0.300 . 1 . . . . 117 Gln C . 17170 1 1263 . 1 1 117 117 GLN CA C 13 57.058 0.300 . 1 . . . . 117 Gln CA . 17170 1 1264 . 1 1 117 117 GLN CB C 13 28.828 0.300 . 1 . . . . 117 Gln CB . 17170 1 1265 . 1 1 117 117 GLN CG C 13 33.723 0.300 . 1 . . . . 117 Gln CG . 17170 1 1266 . 1 1 117 117 GLN N N 15 119.793 0.300 . 1 . . . . 117 Gln N . 17170 1 1267 . 1 1 118 118 MET H H 1 8.047 0.020 . 1 . . . . 118 Met H . 17170 1 1268 . 1 1 118 118 MET HA H 1 4.256 0.020 . 1 . . . . 118 Met HA . 17170 1 1269 . 1 1 118 118 MET HB2 H 1 2.042 0.020 . 2 . . . . 118 Met QB . 17170 1 1270 . 1 1 118 118 MET HB3 H 1 2.042 0.020 . 2 . . . . 118 Met QB . 17170 1 1271 . 1 1 118 118 MET HG2 H 1 2.565 0.020 . 2 . . . . 118 Met QG . 17170 1 1272 . 1 1 118 118 MET HG3 H 1 2.565 0.020 . 2 . . . . 118 Met QG . 17170 1 1273 . 1 1 118 118 MET C C 13 176.509 0.300 . 1 . . . . 118 Met C . 17170 1 1274 . 1 1 118 118 MET CA C 13 56.436 0.300 . 1 . . . . 118 Met CA . 17170 1 1275 . 1 1 118 118 MET CB C 13 32.711 0.300 . 1 . . . . 118 Met CB . 17170 1 1276 . 1 1 118 118 MET CG C 13 32.202 0.300 . 1 . . . . 118 Met CG . 17170 1 1277 . 1 1 118 118 MET N N 15 119.757 0.300 . 1 . . . . 118 Met N . 17170 1 1278 . 1 1 119 119 LEU H H 1 7.906 0.020 . 1 . . . . 119 Leu H . 17170 1 1279 . 1 1 119 119 LEU HA H 1 4.251 0.020 . 1 . . . . 119 Leu HA . 17170 1 1280 . 1 1 119 119 LEU HB2 H 1 1.476 0.020 . 2 . . . . 119 Leu QB . 17170 1 1281 . 1 1 119 119 LEU HB3 H 1 1.476 0.020 . 2 . . . . 119 Leu QB . 17170 1 1282 . 1 1 119 119 LEU HD11 H 1 0.813 0.020 . 2 . . . . 119 Leu QD1 . 17170 1 1283 . 1 1 119 119 LEU HD12 H 1 0.813 0.020 . 2 . . . . 119 Leu QD1 . 17170 1 1284 . 1 1 119 119 LEU HD13 H 1 0.813 0.020 . 2 . . . . 119 Leu QD1 . 17170 1 1285 . 1 1 119 119 LEU HD21 H 1 0.762 0.020 . 2 . . . . 119 Leu QD2 . 17170 1 1286 . 1 1 119 119 LEU HD22 H 1 0.762 0.020 . 2 . . . . 119 Leu QD2 . 17170 1 1287 . 1 1 119 119 LEU HD23 H 1 0.762 0.020 . 2 . . . . 119 Leu QD2 . 17170 1 1288 . 1 1 119 119 LEU HG H 1 1.555 0.020 . 1 . . . . 119 Leu HG . 17170 1 1289 . 1 1 119 119 LEU C C 13 177.411 0.300 . 1 . . . . 119 Leu C . 17170 1 1290 . 1 1 119 119 LEU CA C 13 55.653 0.300 . 1 . . . . 119 Leu CA . 17170 1 1291 . 1 1 119 119 LEU CB C 13 42.393 0.300 . 1 . . . . 119 Leu CB . 17170 1 1292 . 1 1 119 119 LEU CD1 C 13 23.914 0.300 . 2 . . . . 119 Leu CD1 . 17170 1 1293 . 1 1 119 119 LEU CD2 C 13 23.320 0.300 . 2 . . . . 119 Leu CD2 . 17170 1 1294 . 1 1 119 119 LEU CG C 13 26.893 0.300 . 1 . . . . 119 Leu CG . 17170 1 1295 . 1 1 119 119 LEU N N 15 121.395 0.300 . 1 . . . . 119 Leu N . 17170 1 1296 . 1 1 120 120 GLU H H 1 7.991 0.020 . 1 . . . . 120 Glu H . 17170 1 1297 . 1 1 120 120 GLU HA H 1 4.103 0.020 . 1 . . . . 120 Glu HA . 17170 1 1298 . 1 1 120 120 GLU HB2 H 1 1.846 0.020 . 2 . . . . 120 Glu QB . 17170 1 1299 . 1 1 120 120 GLU HB3 H 1 1.846 0.020 . 2 . . . . 120 Glu QB . 17170 1 1300 . 1 1 120 120 GLU HG2 H 1 2.169 0.020 . 2 . . . . 120 Glu HG2 . 17170 1 1301 . 1 1 120 120 GLU HG3 H 1 2.100 0.020 . 2 . . . . 120 Glu HG3 . 17170 1 1302 . 1 1 120 120 GLU C C 13 176.279 0.300 . 1 . . . . 120 Glu C . 17170 1 1303 . 1 1 120 120 GLU CA C 13 56.634 0.300 . 1 . . . . 120 Glu CA . 17170 1 1304 . 1 1 120 120 GLU CB C 13 30.070 0.300 . 1 . . . . 120 Glu CB . 17170 1 1305 . 1 1 120 120 GLU CG C 13 35.805 0.300 . 1 . . . . 120 Glu CG . 17170 1 1306 . 1 1 120 120 GLU N N 15 120.398 0.300 . 1 . . . . 120 Glu N . 17170 1 1307 . 1 1 121 121 HIS H H 1 8.231 0.020 . 1 . . . . 121 His H . 17170 1 1308 . 1 1 121 121 HIS C C 13 174.458 0.300 . 1 . . . . 121 His C . 17170 1 1309 . 1 1 121 121 HIS CA C 13 55.410 0.300 . 1 . . . . 121 His CA . 17170 1 1310 . 1 1 121 121 HIS CB C 13 29.125 0.300 . 1 . . . . 121 His CB . 17170 1 1311 . 1 1 121 121 HIS N N 15 119.182 0.300 . 1 . . . . 121 His N . 17170 1 stop_ save_