data_6410 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6410 _Entry.Title ; 1H, 15N, and 13C resonance assignments of reduced form of poplar glutaredoxin CxxC1 from Populus tremula tremuloides ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-04 _Entry.Accession_date 2004-12-06 _Entry.Last_release_date 2005-12-15 _Entry.Original_release_date 2005-12-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Yingang Feng . . . 6410 2 Nicolas Rouhier . . . 6410 3 Jean-Pierre Jacquot . . . 6410 4 Bin Xia . . . 6410 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6410 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 514 6410 '1H chemical shifts' 817 6410 '15N chemical shifts' 127 6410 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 . . 2005-12-15 2004-12-04 original author . 6410 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6410 _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 ; Letter to the Editor: 1H, 15N, and 13C resonance assignments of reduced glutaredoxin C1 from Populus tremula x tremuloides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 3 _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 263 _Citation.Page_last 264 _Citation.Year 2005 _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 Yingang Feng . . . 6410 1 2 Nicolas Rouhier . . . 6410 1 3 Jean-Pierre Jacquot . . . 6410 1 4 Bin Xia . . . 6410 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Glutaredoxin 6410 1 Poplar 6410 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_grx1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_grx1 _Assembly.Entry_ID 6410 _Assembly.ID 1 _Assembly.Name grx1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6410 1 stop_ 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 'Poplar Grx CxxC1' 1 $Poplar_Grx_CxxC1 . . . native . . . . . 6410 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID grx1 system 6410 1 grx1 abbreviation 6410 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Poplar_Grx_CxxC1 _Entity.Sf_category entity _Entity.Sf_framecode Poplar_Grx_CxxC1 _Entity.Entry_ID 6410 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name grxcxxc1 _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 ; MASKQELDAALKKAKELASS APVVVFSKTYCGYCNRVKQL LTQVGASYKVVELDELSDGS QLQSALAHWTGRGTVPNVFI GGKQIGGCDTVVEKHQRNEL LPLLQDAAATAKNPAQL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 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 1Z7P . "Solution Structure Of Reduced Glutaredoxin C1 From Populus Tremula X Tremuloides" . . . . . 100.00 117 100.00 100.00 4.51e-79 . . . . 6410 1 2 no PDB 1Z7R . "Solution Structure Of Reduced Glutaredoxin C1 From Populus Tremula X Tremuloides" . . . . . 100.00 117 100.00 100.00 4.51e-79 . . . . 6410 1 3 no PDB 2E7P . "Crystal Structure Of The Holo Form Of Glutaredoxin C1 From Populus Tremula X Tremuloides" . . . . . 98.29 116 98.26 98.26 1.64e-75 . . . . 6410 1 4 no GB AAV73806 . "glutaredoxin [Populus tremula x Populus tremuloides]" . . . . . 98.29 126 98.26 98.26 9.03e-76 . . . . 6410 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID grxcxxc1 common 6410 1 grxcxxc1 abbreviation 6410 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 . 6410 1 2 . ALA . 6410 1 3 . SER . 6410 1 4 . LYS . 6410 1 5 . GLN . 6410 1 6 . GLU . 6410 1 7 . LEU . 6410 1 8 . ASP . 6410 1 9 . ALA . 6410 1 10 . ALA . 6410 1 11 . LEU . 6410 1 12 . LYS . 6410 1 13 . LYS . 6410 1 14 . ALA . 6410 1 15 . LYS . 6410 1 16 . GLU . 6410 1 17 . LEU . 6410 1 18 . ALA . 6410 1 19 . SER . 6410 1 20 . SER . 6410 1 21 . ALA . 6410 1 22 . PRO . 6410 1 23 . VAL . 6410 1 24 . VAL . 6410 1 25 . VAL . 6410 1 26 . PHE . 6410 1 27 . SER . 6410 1 28 . LYS . 6410 1 29 . THR . 6410 1 30 . TYR . 6410 1 31 . CYS . 6410 1 32 . GLY . 6410 1 33 . TYR . 6410 1 34 . CYS . 6410 1 35 . ASN . 6410 1 36 . ARG . 6410 1 37 . VAL . 6410 1 38 . LYS . 6410 1 39 . GLN . 6410 1 40 . LEU . 6410 1 41 . LEU . 6410 1 42 . THR . 6410 1 43 . GLN . 6410 1 44 . VAL . 6410 1 45 . GLY . 6410 1 46 . ALA . 6410 1 47 . SER . 6410 1 48 . TYR . 6410 1 49 . LYS . 6410 1 50 . VAL . 6410 1 51 . VAL . 6410 1 52 . GLU . 6410 1 53 . LEU . 6410 1 54 . ASP . 6410 1 55 . GLU . 6410 1 56 . LEU . 6410 1 57 . SER . 6410 1 58 . ASP . 6410 1 59 . GLY . 6410 1 60 . SER . 6410 1 61 . GLN . 6410 1 62 . LEU . 6410 1 63 . GLN . 6410 1 64 . SER . 6410 1 65 . ALA . 6410 1 66 . LEU . 6410 1 67 . ALA . 6410 1 68 . HIS . 6410 1 69 . TRP . 6410 1 70 . THR . 6410 1 71 . GLY . 6410 1 72 . ARG . 6410 1 73 . GLY . 6410 1 74 . THR . 6410 1 75 . VAL . 6410 1 76 . PRO . 6410 1 77 . ASN . 6410 1 78 . VAL . 6410 1 79 . PHE . 6410 1 80 . ILE . 6410 1 81 . GLY . 6410 1 82 . GLY . 6410 1 83 . LYS . 6410 1 84 . GLN . 6410 1 85 . ILE . 6410 1 86 . GLY . 6410 1 87 . GLY . 6410 1 88 . CYS . 6410 1 89 . ASP . 6410 1 90 . THR . 6410 1 91 . VAL . 6410 1 92 . VAL . 6410 1 93 . GLU . 6410 1 94 . LYS . 6410 1 95 . HIS . 6410 1 96 . GLN . 6410 1 97 . ARG . 6410 1 98 . ASN . 6410 1 99 . GLU . 6410 1 100 . LEU . 6410 1 101 . LEU . 6410 1 102 . PRO . 6410 1 103 . LEU . 6410 1 104 . LEU . 6410 1 105 . GLN . 6410 1 106 . ASP . 6410 1 107 . ALA . 6410 1 108 . ALA . 6410 1 109 . ALA . 6410 1 110 . THR . 6410 1 111 . ALA . 6410 1 112 . LYS . 6410 1 113 . ASN . 6410 1 114 . PRO . 6410 1 115 . ALA . 6410 1 116 . GLN . 6410 1 117 . LEU . 6410 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 6410 1 . ALA 2 2 6410 1 . SER 3 3 6410 1 . LYS 4 4 6410 1 . GLN 5 5 6410 1 . GLU 6 6 6410 1 . LEU 7 7 6410 1 . ASP 8 8 6410 1 . ALA 9 9 6410 1 . ALA 10 10 6410 1 . LEU 11 11 6410 1 . LYS 12 12 6410 1 . LYS 13 13 6410 1 . ALA 14 14 6410 1 . LYS 15 15 6410 1 . GLU 16 16 6410 1 . LEU 17 17 6410 1 . ALA 18 18 6410 1 . SER 19 19 6410 1 . SER 20 20 6410 1 . ALA 21 21 6410 1 . PRO 22 22 6410 1 . VAL 23 23 6410 1 . VAL 24 24 6410 1 . VAL 25 25 6410 1 . PHE 26 26 6410 1 . SER 27 27 6410 1 . LYS 28 28 6410 1 . THR 29 29 6410 1 . TYR 30 30 6410 1 . CYS 31 31 6410 1 . GLY 32 32 6410 1 . TYR 33 33 6410 1 . CYS 34 34 6410 1 . ASN 35 35 6410 1 . ARG 36 36 6410 1 . VAL 37 37 6410 1 . LYS 38 38 6410 1 . GLN 39 39 6410 1 . LEU 40 40 6410 1 . LEU 41 41 6410 1 . THR 42 42 6410 1 . GLN 43 43 6410 1 . VAL 44 44 6410 1 . GLY 45 45 6410 1 . ALA 46 46 6410 1 . SER 47 47 6410 1 . TYR 48 48 6410 1 . LYS 49 49 6410 1 . VAL 50 50 6410 1 . VAL 51 51 6410 1 . GLU 52 52 6410 1 . LEU 53 53 6410 1 . ASP 54 54 6410 1 . GLU 55 55 6410 1 . LEU 56 56 6410 1 . SER 57 57 6410 1 . ASP 58 58 6410 1 . GLY 59 59 6410 1 . SER 60 60 6410 1 . GLN 61 61 6410 1 . LEU 62 62 6410 1 . GLN 63 63 6410 1 . SER 64 64 6410 1 . ALA 65 65 6410 1 . LEU 66 66 6410 1 . ALA 67 67 6410 1 . HIS 68 68 6410 1 . TRP 69 69 6410 1 . THR 70 70 6410 1 . GLY 71 71 6410 1 . ARG 72 72 6410 1 . GLY 73 73 6410 1 . THR 74 74 6410 1 . VAL 75 75 6410 1 . PRO 76 76 6410 1 . ASN 77 77 6410 1 . VAL 78 78 6410 1 . PHE 79 79 6410 1 . ILE 80 80 6410 1 . GLY 81 81 6410 1 . GLY 82 82 6410 1 . LYS 83 83 6410 1 . GLN 84 84 6410 1 . ILE 85 85 6410 1 . GLY 86 86 6410 1 . GLY 87 87 6410 1 . CYS 88 88 6410 1 . ASP 89 89 6410 1 . THR 90 90 6410 1 . VAL 91 91 6410 1 . VAL 92 92 6410 1 . GLU 93 93 6410 1 . LYS 94 94 6410 1 . HIS 95 95 6410 1 . GLN 96 96 6410 1 . ARG 97 97 6410 1 . ASN 98 98 6410 1 . GLU 99 99 6410 1 . LEU 100 100 6410 1 . LEU 101 101 6410 1 . PRO 102 102 6410 1 . LEU 103 103 6410 1 . LEU 104 104 6410 1 . GLN 105 105 6410 1 . ASP 106 106 6410 1 . ALA 107 107 6410 1 . ALA 108 108 6410 1 . ALA 109 109 6410 1 . THR 110 110 6410 1 . ALA 111 111 6410 1 . LYS 112 112 6410 1 . ASN 113 113 6410 1 . PRO 114 114 6410 1 . ALA 115 115 6410 1 . GLN 116 116 6410 1 . LEU 117 117 6410 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 6410 _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 $Poplar_Grx_CxxC1 . 47664 organism . 'Populus tremula tremuloides' Poplar . . Eukaryota Viridiplantae Populus 'tremula tremuloides' . . . . . . . . . . . . . . . . . . . . . 6410 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 6410 _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 $Poplar_Grx_CxxC1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 6410 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6410 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 grxcxxc1 '[U-15N; U-13C]' . . 1 $Poplar_Grx_CxxC1 . . 1.1 . . mM . . . . 6410 1 2 DTT . . . . . . . 40 . . mM . . . . 6410 1 3 DSS . . . . . . . 0.01 . . % . . . . 6410 1 4 NaN3 . . . . . . . 0.01 . . % . . . . 6410 1 5 PBS . . . . . . . 40 . . mM . . . . 6410 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6410 _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 6.4 0.1 pH 6410 1 temperature 293 0.1 K 6410 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6410 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6410 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6410 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Bruker Avance 500 MHz spectrometer with a triple resonance cryo-probe equipped with Z-axis gradient. ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6410 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details ; Bruker Avance 600 MHz spectrometer with a triple resonance probe equipped with three-axis gradient. ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6410 _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 500MHz_spectrometer Bruker Avance . 500 ; Bruker Avance 500 MHz spectrometer with a triple resonance cryo-probe equipped with Z-axis gradient. ; . . 6410 1 2 600MHz_spectrometer Bruker Avance . 600 ; Bruker Avance 600 MHz spectrometer with a triple resonance probe equipped with three-axis gradient. ; . . 6410 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 6410 _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 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 2 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 4 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 5 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 6 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 7 HBHA(CBCA)(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 8 '1H-13C HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 9 H(C)CH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 10 (H)CCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 11 H(C)CH-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 12 (H)CCH-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 13 (HB)CB(CGCD)HD . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 14 (HB)CB(CGCDCE)HE . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 15 '1H-13C NOESY-HSQC(optimized for aromatic region)' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 16 '1H-15N TOCSY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 17 H(CCO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 18 (H)C(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 19 '1H-15N NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 20 '1H-13C NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6410 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHA(CBCA)(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(C)CH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name (H)CCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name H(C)CH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name (H)CCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name (HB)CB(CGCD)HD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name (HB)CB(CGCDCE)HE _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '1H-13C NOESY-HSQC(optimized for aromatic region)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name (H)C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_19 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_20 _NMR_spec_expt.Entry_ID 6410 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '1H-13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6410 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6410 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6410 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6410 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6410 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 . 6410 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 3 3 SER CA C 13 57.528 0.3 . 1 . . . . . . . . 6410 1 2 . 1 1 3 3 SER HA H 1 4.546 0.02 . 1 . . . . . . . . 6410 1 3 . 1 1 3 3 SER CB C 13 64.922 0.3 . 1 . . . . . . . . 6410 1 4 . 1 1 3 3 SER HB3 H 1 4.208 0.02 . 2 . . . . . . . . 6410 1 5 . 1 1 3 3 SER HB2 H 1 3.984 0.02 . 2 . . . . . . . . 6410 1 6 . 1 1 3 3 SER C C 13 174.670 0.3 . 1 . . . . . . . . 6410 1 7 . 1 1 4 4 LYS N N 15 123.370 0.2 . 1 . . . . . . . . 6410 1 8 . 1 1 4 4 LYS H H 1 8.893 0.02 . 1 . . . . . . . . 6410 1 9 . 1 1 4 4 LYS CA C 13 59.020 0.3 . 1 . . . . . . . . 6410 1 10 . 1 1 4 4 LYS HA H 1 4.064 0.02 . 1 . . . . . . . . 6410 1 11 . 1 1 4 4 LYS CB C 13 32.370 0.3 . 1 . . . . . . . . 6410 1 12 . 1 1 4 4 LYS HB3 H 1 1.810 0.02 . 2 . . . . . . . . 6410 1 13 . 1 1 4 4 LYS HB2 H 1 1.875 0.02 . 2 . . . . . . . . 6410 1 14 . 1 1 4 4 LYS CG C 13 24.872 0.3 . 1 . . . . . . . . 6410 1 15 . 1 1 4 4 LYS HG3 H 1 1.406 0.02 . 2 . . . . . . . . 6410 1 16 . 1 1 4 4 LYS HG2 H 1 1.468 0.02 . 2 . . . . . . . . 6410 1 17 . 1 1 4 4 LYS CD C 13 29.204 0.3 . 1 . . . . . . . . 6410 1 18 . 1 1 4 4 LYS HD3 H 1 1.676 0.02 . 1 . . . . . . . . 6410 1 19 . 1 1 4 4 LYS HD2 H 1 1.676 0.02 . 1 . . . . . . . . 6410 1 20 . 1 1 4 4 LYS CE C 13 42.263 0.3 . 1 . . . . . . . . 6410 1 21 . 1 1 4 4 LYS HE3 H 1 3.001 0.02 . 1 . . . . . . . . 6410 1 22 . 1 1 4 4 LYS HE2 H 1 3.001 0.02 . 1 . . . . . . . . 6410 1 23 . 1 1 4 4 LYS C C 13 177.873 0.3 . 1 . . . . . . . . 6410 1 24 . 1 1 5 5 GLN N N 15 118.310 0.2 . 1 . . . . . . . . 6410 1 25 . 1 1 5 5 GLN H H 1 8.452 0.02 . 1 . . . . . . . . 6410 1 26 . 1 1 5 5 GLN CA C 13 58.980 0.3 . 1 . . . . . . . . 6410 1 27 . 1 1 5 5 GLN HA H 1 4.148 0.02 . 1 . . . . . . . . 6410 1 28 . 1 1 5 5 GLN CB C 13 28.240 0.3 . 1 . . . . . . . . 6410 1 29 . 1 1 5 5 GLN HB3 H 1 2.020 0.02 . 2 . . . . . . . . 6410 1 30 . 1 1 5 5 GLN HB2 H 1 2.090 0.02 . 2 . . . . . . . . 6410 1 31 . 1 1 5 5 GLN CG C 13 34.215 0.3 . 1 . . . . . . . . 6410 1 32 . 1 1 5 5 GLN HG3 H 1 2.454 0.02 . 1 . . . . . . . . 6410 1 33 . 1 1 5 5 GLN HG2 H 1 2.454 0.02 . 1 . . . . . . . . 6410 1 34 . 1 1 5 5 GLN CD C 13 180.595 0.3 . 1 . . . . . . . . 6410 1 35 . 1 1 5 5 GLN NE2 N 15 112.314 0.2 . 1 . . . . . . . . 6410 1 36 . 1 1 5 5 GLN HE21 H 1 6.925 0.02 . 2 . . . . . . . . 6410 1 37 . 1 1 5 5 GLN HE22 H 1 7.608 0.02 . 2 . . . . . . . . 6410 1 38 . 1 1 5 5 GLN C C 13 178.801 0.3 . 1 . . . . . . . . 6410 1 39 . 1 1 6 6 GLU N N 15 120.960 0.2 . 1 . . . . . . . . 6410 1 40 . 1 1 6 6 GLU H H 1 8.045 0.02 . 1 . . . . . . . . 6410 1 41 . 1 1 6 6 GLU CA C 13 58.850 0.3 . 1 . . . . . . . . 6410 1 42 . 1 1 6 6 GLU HA H 1 4.090 0.02 . 1 . . . . . . . . 6410 1 43 . 1 1 6 6 GLU CB C 13 30.070 0.3 . 1 . . . . . . . . 6410 1 44 . 1 1 6 6 GLU HB3 H 1 2.207 0.02 . 2 . . . . . . . . 6410 1 45 . 1 1 6 6 GLU HB2 H 1 2.006 0.02 . 2 . . . . . . . . 6410 1 46 . 1 1 6 6 GLU CG C 13 36.943 0.3 . 1 . . . . . . . . 6410 1 47 . 1 1 6 6 GLU HG3 H 1 2.276 0.02 . 2 . . . . . . . . 6410 1 48 . 1 1 6 6 GLU HG2 H 1 2.315 0.02 . 2 . . . . . . . . 6410 1 49 . 1 1 6 6 GLU C C 13 179.289 0.3 . 1 . . . . . . . . 6410 1 50 . 1 1 7 7 LEU N N 15 122.600 0.2 . 1 . . . . . . . . 6410 1 51 . 1 1 7 7 LEU H H 1 8.264 0.02 . 1 . . . . . . . . 6410 1 52 . 1 1 7 7 LEU CA C 13 57.570 0.3 . 1 . . . . . . . . 6410 1 53 . 1 1 7 7 LEU HA H 1 4.144 0.02 . 1 . . . . . . . . 6410 1 54 . 1 1 7 7 LEU CB C 13 41.350 0.3 . 1 . . . . . . . . 6410 1 55 . 1 1 7 7 LEU HB3 H 1 1.662 0.02 . 1 . . . . . . . . 6410 1 56 . 1 1 7 7 LEU HB2 H 1 1.662 0.02 . 1 . . . . . . . . 6410 1 57 . 1 1 7 7 LEU CG C 13 26.850 0.3 . 1 . . . . . . . . 6410 1 58 . 1 1 7 7 LEU HG H 1 1.579 0.02 . 1 . . . . . . . . 6410 1 59 . 1 1 7 7 LEU CD1 C 13 24.300 0.3 . 2 . . . . . . . . 6410 1 60 . 1 1 7 7 LEU HD11 H 1 0.756 0.02 . 2 . . . . . . . . 6410 1 61 . 1 1 7 7 LEU HD12 H 1 0.756 0.02 . 2 . . . . . . . . 6410 1 62 . 1 1 7 7 LEU HD13 H 1 0.756 0.02 . 2 . . . . . . . . 6410 1 63 . 1 1 7 7 LEU CD2 C 13 23.500 0.3 . 2 . . . . . . . . 6410 1 64 . 1 1 7 7 LEU HD21 H 1 0.691 0.02 . 2 . . . . . . . . 6410 1 65 . 1 1 7 7 LEU HD22 H 1 0.691 0.02 . 2 . . . . . . . . 6410 1 66 . 1 1 7 7 LEU HD23 H 1 0.691 0.02 . 2 . . . . . . . . 6410 1 67 . 1 1 7 7 LEU C C 13 178.878 0.3 . 1 . . . . . . . . 6410 1 68 . 1 1 8 8 ASP N N 15 120.570 0.2 . 1 . . . . . . . . 6410 1 69 . 1 1 8 8 ASP H H 1 8.510 0.02 . 1 . . . . . . . . 6410 1 70 . 1 1 8 8 ASP CA C 13 57.430 0.3 . 1 . . . . . . . . 6410 1 71 . 1 1 8 8 ASP HA H 1 4.334 0.02 . 1 . . . . . . . . 6410 1 72 . 1 1 8 8 ASP CB C 13 40.340 0.3 . 1 . . . . . . . . 6410 1 73 . 1 1 8 8 ASP HB3 H 1 2.577 0.02 . 2 . . . . . . . . 6410 1 74 . 1 1 8 8 ASP HB2 H 1 2.721 0.02 . 2 . . . . . . . . 6410 1 75 . 1 1 8 8 ASP C C 13 179.114 0.3 . 1 . . . . . . . . 6410 1 76 . 1 1 9 9 ALA N N 15 122.730 0.2 . 1 . . . . . . . . 6410 1 77 . 1 1 9 9 ALA H H 1 7.991 0.02 . 1 . . . . . . . . 6410 1 78 . 1 1 9 9 ALA CA C 13 55.070 0.3 . 1 . . . . . . . . 6410 1 79 . 1 1 9 9 ALA HA H 1 4.098 0.02 . 1 . . . . . . . . 6410 1 80 . 1 1 9 9 ALA CB C 13 18.090 0.3 . 1 . . . . . . . . 6410 1 81 . 1 1 9 9 ALA HB1 H 1 1.489 0.02 . 1 . . . . . . . . 6410 1 82 . 1 1 9 9 ALA HB2 H 1 1.489 0.02 . 1 . . . . . . . . 6410 1 83 . 1 1 9 9 ALA HB3 H 1 1.489 0.02 . 1 . . . . . . . . 6410 1 84 . 1 1 9 9 ALA C C 13 180.506 0.3 . 1 . . . . . . . . 6410 1 85 . 1 1 10 10 ALA N N 15 122.660 0.2 . 1 . . . . . . . . 6410 1 86 . 1 1 10 10 ALA H H 1 8.011 0.02 . 1 . . . . . . . . 6410 1 87 . 1 1 10 10 ALA CA C 13 54.900 0.3 . 1 . . . . . . . . 6410 1 88 . 1 1 10 10 ALA HA H 1 4.194 0.02 . 1 . . . . . . . . 6410 1 89 . 1 1 10 10 ALA CB C 13 18.540 0.3 . 1 . . . . . . . . 6410 1 90 . 1 1 10 10 ALA HB1 H 1 1.407 0.02 . 1 . . . . . . . . 6410 1 91 . 1 1 10 10 ALA HB2 H 1 1.407 0.02 . 1 . . . . . . . . 6410 1 92 . 1 1 10 10 ALA HB3 H 1 1.407 0.02 . 1 . . . . . . . . 6410 1 93 . 1 1 10 10 ALA C C 13 178.815 0.3 . 1 . . . . . . . . 6410 1 94 . 1 1 11 11 LEU N N 15 119.840 0.2 . 1 . . . . . . . . 6410 1 95 . 1 1 11 11 LEU H H 1 8.335 0.02 . 1 . . . . . . . . 6410 1 96 . 1 1 11 11 LEU CA C 13 58.240 0.3 . 1 . . . . . . . . 6410 1 97 . 1 1 11 11 LEU HA H 1 3.883 0.02 . 1 . . . . . . . . 6410 1 98 . 1 1 11 11 LEU CB C 13 41.540 0.3 . 1 . . . . . . . . 6410 1 99 . 1 1 11 11 LEU HB3 H 1 1.673 0.02 . 1 . . . . . . . . 6410 1 100 . 1 1 11 11 LEU HB2 H 1 1.673 0.02 . 1 . . . . . . . . 6410 1 101 . 1 1 11 11 LEU CG C 13 27.024 0.3 . 1 . . . . . . . . 6410 1 102 . 1 1 11 11 LEU HG H 1 1.389 0.02 . 1 . . . . . . . . 6410 1 103 . 1 1 11 11 LEU CD1 C 13 25.544 0.3 . 2 . . . . . . . . 6410 1 104 . 1 1 11 11 LEU HD11 H 1 0.906 0.02 . 2 . . . . . . . . 6410 1 105 . 1 1 11 11 LEU HD12 H 1 0.906 0.02 . 2 . . . . . . . . 6410 1 106 . 1 1 11 11 LEU HD13 H 1 0.906 0.02 . 2 . . . . . . . . 6410 1 107 . 1 1 11 11 LEU CD2 C 13 24.270 0.3 . 2 . . . . . . . . 6410 1 108 . 1 1 11 11 LEU HD21 H 1 0.781 0.02 . 2 . . . . . . . . 6410 1 109 . 1 1 11 11 LEU HD22 H 1 0.781 0.02 . 2 . . . . . . . . 6410 1 110 . 1 1 11 11 LEU HD23 H 1 0.781 0.02 . 2 . . . . . . . . 6410 1 111 . 1 1 11 11 LEU C C 13 177.917 0.3 . 1 . . . . . . . . 6410 1 112 . 1 1 12 12 LYS N N 15 118.450 0.2 . 1 . . . . . . . . 6410 1 113 . 1 1 12 12 LYS H H 1 7.567 0.02 . 1 . . . . . . . . 6410 1 114 . 1 1 12 12 LYS CA C 13 59.810 0.3 . 1 . . . . . . . . 6410 1 115 . 1 1 12 12 LYS HA H 1 3.718 0.02 . 1 . . . . . . . . 6410 1 116 . 1 1 12 12 LYS CB C 13 32.560 0.3 . 1 . . . . . . . . 6410 1 117 . 1 1 12 12 LYS HB3 H 1 1.809 0.02 . 1 . . . . . . . . 6410 1 118 . 1 1 12 12 LYS HB2 H 1 1.809 0.02 . 1 . . . . . . . . 6410 1 119 . 1 1 12 12 LYS CG C 13 25.130 0.3 . 1 . . . . . . . . 6410 1 120 . 1 1 12 12 LYS HG3 H 1 1.268 0.02 . 2 . . . . . . . . 6410 1 121 . 1 1 12 12 LYS HG2 H 1 1.409 0.02 . 2 . . . . . . . . 6410 1 122 . 1 1 12 12 LYS CD C 13 29.875 0.3 . 1 . . . . . . . . 6410 1 123 . 1 1 12 12 LYS HD3 H 1 1.617 0.02 . 1 . . . . . . . . 6410 1 124 . 1 1 12 12 LYS HD2 H 1 1.617 0.02 . 1 . . . . . . . . 6410 1 125 . 1 1 12 12 LYS CE C 13 42.196 0.3 . 1 . . . . . . . . 6410 1 126 . 1 1 12 12 LYS HE3 H 1 2.935 0.02 . 1 . . . . . . . . 6410 1 127 . 1 1 12 12 LYS HE2 H 1 2.935 0.02 . 1 . . . . . . . . 6410 1 128 . 1 1 12 12 LYS C C 13 178.969 0.3 . 1 . . . . . . . . 6410 1 129 . 1 1 13 13 LYS N N 15 119.510 0.2 . 1 . . . . . . . . 6410 1 130 . 1 1 13 13 LYS H H 1 7.711 0.02 . 1 . . . . . . . . 6410 1 131 . 1 1 13 13 LYS CA C 13 59.280 0.3 . 1 . . . . . . . . 6410 1 132 . 1 1 13 13 LYS HA H 1 4.092 0.02 . 1 . . . . . . . . 6410 1 133 . 1 1 13 13 LYS CB C 13 32.600 0.3 . 1 . . . . . . . . 6410 1 134 . 1 1 13 13 LYS HB3 H 1 1.835 0.02 . 2 . . . . . . . . 6410 1 135 . 1 1 13 13 LYS HB2 H 1 1.890 0.02 . 2 . . . . . . . . 6410 1 136 . 1 1 13 13 LYS CG C 13 24.955 0.3 . 1 . . . . . . . . 6410 1 137 . 1 1 13 13 LYS HG3 H 1 1.540 0.02 . 2 . . . . . . . . 6410 1 138 . 1 1 13 13 LYS HG2 H 1 1.271 0.02 . 2 . . . . . . . . 6410 1 139 . 1 1 13 13 LYS CD C 13 29.641 0.3 . 1 . . . . . . . . 6410 1 140 . 1 1 13 13 LYS HD3 H 1 1.750 0.02 . 2 . . . . . . . . 6410 1 141 . 1 1 13 13 LYS HD2 H 1 1.684 0.02 . 2 . . . . . . . . 6410 1 142 . 1 1 13 13 LYS CE C 13 42.179 0.3 . 1 . . . . . . . . 6410 1 143 . 1 1 13 13 LYS HE3 H 1 3.008 0.02 . 1 . . . . . . . . 6410 1 144 . 1 1 13 13 LYS HE2 H 1 3.008 0.02 . 1 . . . . . . . . 6410 1 145 . 1 1 13 13 LYS C C 13 178.124 0.3 . 1 . . . . . . . . 6410 1 146 . 1 1 14 14 ALA N N 15 122.060 0.2 . 1 . . . . . . . . 6410 1 147 . 1 1 14 14 ALA H H 1 8.844 0.02 . 1 . . . . . . . . 6410 1 148 . 1 1 14 14 ALA CA C 13 56.240 0.3 . 1 . . . . . . . . 6410 1 149 . 1 1 14 14 ALA HA H 1 3.925 0.02 . 1 . . . . . . . . 6410 1 150 . 1 1 14 14 ALA CB C 13 17.160 0.3 . 1 . . . . . . . . 6410 1 151 . 1 1 14 14 ALA HB1 H 1 1.395 0.02 . 1 . . . . . . . . 6410 1 152 . 1 1 14 14 ALA HB2 H 1 1.395 0.02 . 1 . . . . . . . . 6410 1 153 . 1 1 14 14 ALA HB3 H 1 1.395 0.02 . 1 . . . . . . . . 6410 1 154 . 1 1 14 14 ALA C C 13 178.992 0.3 . 1 . . . . . . . . 6410 1 155 . 1 1 15 15 LYS N N 15 115.880 0.2 . 1 . . . . . . . . 6410 1 156 . 1 1 15 15 LYS H H 1 7.868 0.02 . 1 . . . . . . . . 6410 1 157 . 1 1 15 15 LYS CA C 13 59.930 0.3 . 1 . . . . . . . . 6410 1 158 . 1 1 15 15 LYS HA H 1 3.659 0.02 . 1 . . . . . . . . 6410 1 159 . 1 1 15 15 LYS CB C 13 32.370 0.3 . 1 . . . . . . . . 6410 1 160 . 1 1 15 15 LYS HB3 H 1 1.418 0.02 . 1 . . . . . . . . 6410 1 161 . 1 1 15 15 LYS HB2 H 1 1.418 0.02 . 1 . . . . . . . . 6410 1 162 . 1 1 15 15 LYS CG C 13 24.380 0.3 . 1 . . . . . . . . 6410 1 163 . 1 1 15 15 LYS HG3 H 1 0.606 0.02 . 2 . . . . . . . . 6410 1 164 . 1 1 15 15 LYS HG2 H 1 -0.449 0.02 . 2 . . . . . . . . 6410 1 165 . 1 1 15 15 LYS CD C 13 29.550 0.3 . 1 . . . . . . . . 6410 1 166 . 1 1 15 15 LYS HD3 H 1 1.048 0.02 . 1 . . . . . . . . 6410 1 167 . 1 1 15 15 LYS HD2 H 1 1.048 0.02 . 1 . . . . . . . . 6410 1 168 . 1 1 15 15 LYS CE C 13 41.330 0.3 . 1 . . . . . . . . 6410 1 169 . 1 1 15 15 LYS HE3 H 1 1.956 0.02 . 2 . . . . . . . . 6410 1 170 . 1 1 15 15 LYS HE2 H 1 1.627 0.02 . 2 . . . . . . . . 6410 1 171 . 1 1 15 15 LYS C C 13 179.956 0.3 . 1 . . . . . . . . 6410 1 172 . 1 1 16 16 GLU N N 15 120.550 0.2 . 1 . . . . . . . . 6410 1 173 . 1 1 16 16 GLU H H 1 7.856 0.02 . 1 . . . . . . . . 6410 1 174 . 1 1 16 16 GLU CA C 13 59.330 0.3 . 1 . . . . . . . . 6410 1 175 . 1 1 16 16 GLU HA H 1 3.894 0.02 . 1 . . . . . . . . 6410 1 176 . 1 1 16 16 GLU CB C 13 29.310 0.3 . 1 . . . . . . . . 6410 1 177 . 1 1 16 16 GLU HB3 H 1 2.034 0.02 . 2 . . . . . . . . 6410 1 178 . 1 1 16 16 GLU HB2 H 1 2.170 0.02 . 2 . . . . . . . . 6410 1 179 . 1 1 16 16 GLU CG C 13 36.310 0.3 . 1 . . . . . . . . 6410 1 180 . 1 1 16 16 GLU HG3 H 1 2.376 0.02 . 2 . . . . . . . . 6410 1 181 . 1 1 16 16 GLU HG2 H 1 2.126 0.02 . 2 . . . . . . . . 6410 1 182 . 1 1 16 16 GLU C C 13 180.496 0.3 . 1 . . . . . . . . 6410 1 183 . 1 1 17 17 LEU N N 15 120.000 0.2 . 1 . . . . . . . . 6410 1 184 . 1 1 17 17 LEU H H 1 8.903 0.02 . 1 . . . . . . . . 6410 1 185 . 1 1 17 17 LEU CA C 13 58.120 0.3 . 1 . . . . . . . . 6410 1 186 . 1 1 17 17 LEU HA H 1 3.945 0.02 . 1 . . . . . . . . 6410 1 187 . 1 1 17 17 LEU CB C 13 43.180 0.3 . 1 . . . . . . . . 6410 1 188 . 1 1 17 17 LEU HB3 H 1 1.146 0.02 . 2 . . . . . . . . 6410 1 189 . 1 1 17 17 LEU HB2 H 1 2.256 0.02 . 2 . . . . . . . . 6410 1 190 . 1 1 17 17 LEU CG C 13 27.032 0.3 . 1 . . . . . . . . 6410 1 191 . 1 1 17 17 LEU HG H 1 1.920 0.02 . 1 . . . . . . . . 6410 1 192 . 1 1 17 17 LEU CD1 C 13 22.652 0.3 . 2 . . . . . . . . 6410 1 193 . 1 1 17 17 LEU HD11 H 1 0.852 0.02 . 2 . . . . . . . . 6410 1 194 . 1 1 17 17 LEU HD12 H 1 0.852 0.02 . 2 . . . . . . . . 6410 1 195 . 1 1 17 17 LEU HD13 H 1 0.852 0.02 . 2 . . . . . . . . 6410 1 196 . 1 1 17 17 LEU CD2 C 13 26.626 0.3 . 2 . . . . . . . . 6410 1 197 . 1 1 17 17 LEU HD21 H 1 0.948 0.02 . 2 . . . . . . . . 6410 1 198 . 1 1 17 17 LEU HD22 H 1 0.948 0.02 . 2 . . . . . . . . 6410 1 199 . 1 1 17 17 LEU HD23 H 1 0.948 0.02 . 2 . . . . . . . . 6410 1 200 . 1 1 17 17 LEU C C 13 181.358 0.3 . 1 . . . . . . . . 6410 1 201 . 1 1 18 18 ALA N N 15 121.770 0.2 . 1 . . . . . . . . 6410 1 202 . 1 1 18 18 ALA H H 1 8.664 0.02 . 1 . . . . . . . . 6410 1 203 . 1 1 18 18 ALA CA C 13 55.510 0.3 . 1 . . . . . . . . 6410 1 204 . 1 1 18 18 ALA HA H 1 3.617 0.02 . 1 . . . . . . . . 6410 1 205 . 1 1 18 18 ALA CB C 13 17.710 0.3 . 1 . . . . . . . . 6410 1 206 . 1 1 18 18 ALA HB1 H 1 0.955 0.02 . 1 . . . . . . . . 6410 1 207 . 1 1 18 18 ALA HB2 H 1 0.955 0.02 . 1 . . . . . . . . 6410 1 208 . 1 1 18 18 ALA HB3 H 1 0.955 0.02 . 1 . . . . . . . . 6410 1 209 . 1 1 18 18 ALA C C 13 176.067 0.3 . 1 . . . . . . . . 6410 1 210 . 1 1 19 19 SER N N 15 107.450 0.2 . 1 . . . . . . . . 6410 1 211 . 1 1 19 19 SER H H 1 7.070 0.02 . 1 . . . . . . . . 6410 1 212 . 1 1 19 19 SER CA C 13 57.880 0.3 . 1 . . . . . . . . 6410 1 213 . 1 1 19 19 SER HA H 1 4.658 0.02 . 1 . . . . . . . . 6410 1 214 . 1 1 19 19 SER CB C 13 64.200 0.3 . 1 . . . . . . . . 6410 1 215 . 1 1 19 19 SER HB3 H 1 3.961 0.02 . 2 . . . . . . . . 6410 1 216 . 1 1 19 19 SER HB2 H 1 4.065 0.02 . 2 . . . . . . . . 6410 1 217 . 1 1 19 19 SER C C 13 175.147 0.3 . 1 . . . . . . . . 6410 1 218 . 1 1 20 20 SER N N 15 115.590 0.2 . 1 . . . . . . . . 6410 1 219 . 1 1 20 20 SER H H 1 7.688 0.02 . 1 . . . . . . . . 6410 1 220 . 1 1 20 20 SER CA C 13 60.660 0.3 . 1 . . . . . . . . 6410 1 221 . 1 1 20 20 SER HA H 1 4.184 0.02 . 1 . . . . . . . . 6410 1 222 . 1 1 20 20 SER CB C 13 63.810 0.3 . 1 . . . . . . . . 6410 1 223 . 1 1 20 20 SER HB3 H 1 4.026 0.02 . 2 . . . . . . . . 6410 1 224 . 1 1 20 20 SER HB2 H 1 4.244 0.02 . 2 . . . . . . . . 6410 1 225 . 1 1 20 20 SER C C 13 172.513 0.3 . 1 . . . . . . . . 6410 1 226 . 1 1 21 21 ALA N N 15 123.310 0.2 . 1 . . . . . . . . 6410 1 227 . 1 1 21 21 ALA H H 1 7.347 0.02 . 1 . . . . . . . . 6410 1 228 . 1 1 21 21 ALA CA C 13 50.490 0.3 . 1 . . . . . . . . 6410 1 229 . 1 1 21 21 ALA HA H 1 4.697 0.02 . 1 . . . . . . . . 6410 1 230 . 1 1 21 21 ALA CB C 13 20.560 0.3 . 1 . . . . . . . . 6410 1 231 . 1 1 21 21 ALA HB1 H 1 1.322 0.02 . 1 . . . . . . . . 6410 1 232 . 1 1 21 21 ALA HB2 H 1 1.322 0.02 . 1 . . . . . . . . 6410 1 233 . 1 1 21 21 ALA HB3 H 1 1.322 0.02 . 1 . . . . . . . . 6410 1 234 . 1 1 21 21 ALA C C 13 174.635 0.3 . 1 . . . . . . . . 6410 1 235 . 1 1 22 22 PRO CA C 13 66.042 0.3 . 1 . . . . . . . . 6410 1 236 . 1 1 22 22 PRO HA H 1 4.300 0.02 . 1 . . . . . . . . 6410 1 237 . 1 1 22 22 PRO CB C 13 32.340 0.3 . 1 . . . . . . . . 6410 1 238 . 1 1 22 22 PRO HB3 H 1 2.125 0.02 . 2 . . . . . . . . 6410 1 239 . 1 1 22 22 PRO HB2 H 1 2.430 0.02 . 2 . . . . . . . . 6410 1 240 . 1 1 22 22 PRO CG C 13 28.040 0.3 . 1 . . . . . . . . 6410 1 241 . 1 1 22 22 PRO HG3 H 1 2.195 0.02 . 2 . . . . . . . . 6410 1 242 . 1 1 22 22 PRO HG2 H 1 1.973 0.02 . 2 . . . . . . . . 6410 1 243 . 1 1 22 22 PRO CD C 13 50.610 0.3 . 1 . . . . . . . . 6410 1 244 . 1 1 22 22 PRO HD3 H 1 3.797 0.02 . 2 . . . . . . . . 6410 1 245 . 1 1 22 22 PRO HD2 H 1 3.757 0.02 . 2 . . . . . . . . 6410 1 246 . 1 1 22 22 PRO C C 13 175.747 0.3 . 1 . . . . . . . . 6410 1 247 . 1 1 23 23 VAL N N 15 113.010 0.2 . 1 . . . . . . . . 6410 1 248 . 1 1 23 23 VAL H H 1 7.348 0.02 . 1 . . . . . . . . 6410 1 249 . 1 1 23 23 VAL CA C 13 60.830 0.3 . 1 . . . . . . . . 6410 1 250 . 1 1 23 23 VAL HA H 1 5.042 0.02 . 1 . . . . . . . . 6410 1 251 . 1 1 23 23 VAL CB C 13 34.470 0.3 . 1 . . . . . . . . 6410 1 252 . 1 1 23 23 VAL HB H 1 2.235 0.02 . 1 . . . . . . . . 6410 1 253 . 1 1 23 23 VAL CG2 C 13 21.342 0.3 . 2 . . . . . . . . 6410 1 254 . 1 1 23 23 VAL HG21 H 1 0.841 0.02 . 2 . . . . . . . . 6410 1 255 . 1 1 23 23 VAL HG22 H 1 0.841 0.02 . 2 . . . . . . . . 6410 1 256 . 1 1 23 23 VAL HG23 H 1 0.841 0.02 . 2 . . . . . . . . 6410 1 257 . 1 1 23 23 VAL CG1 C 13 22.707 0.3 . 2 . . . . . . . . 6410 1 258 . 1 1 23 23 VAL HG11 H 1 0.970 0.02 . 2 . . . . . . . . 6410 1 259 . 1 1 23 23 VAL HG12 H 1 0.970 0.02 . 2 . . . . . . . . 6410 1 260 . 1 1 23 23 VAL HG13 H 1 0.970 0.02 . 2 . . . . . . . . 6410 1 261 . 1 1 23 23 VAL C C 13 174.732 0.3 . 1 . . . . . . . . 6410 1 262 . 1 1 24 24 VAL N N 15 127.280 0.2 . 1 . . . . . . . . 6410 1 263 . 1 1 24 24 VAL H H 1 9.037 0.02 . 1 . . . . . . . . 6410 1 264 . 1 1 24 24 VAL CA C 13 61.320 0.3 . 1 . . . . . . . . 6410 1 265 . 1 1 24 24 VAL HA H 1 4.829 0.02 . 1 . . . . . . . . 6410 1 266 . 1 1 24 24 VAL CB C 13 35.800 0.3 . 1 . . . . . . . . 6410 1 267 . 1 1 24 24 VAL HB H 1 1.831 0.02 . 1 . . . . . . . . 6410 1 268 . 1 1 24 24 VAL CG2 C 13 22.231 0.3 . 2 . . . . . . . . 6410 1 269 . 1 1 24 24 VAL HG21 H 1 0.908 0.02 . 2 . . . . . . . . 6410 1 270 . 1 1 24 24 VAL HG22 H 1 0.908 0.02 . 2 . . . . . . . . 6410 1 271 . 1 1 24 24 VAL HG23 H 1 0.908 0.02 . 2 . . . . . . . . 6410 1 272 . 1 1 24 24 VAL CG1 C 13 20.409 0.3 . 2 . . . . . . . . 6410 1 273 . 1 1 24 24 VAL HG11 H 1 0.186 0.02 . 2 . . . . . . . . 6410 1 274 . 1 1 24 24 VAL HG12 H 1 0.186 0.02 . 2 . . . . . . . . 6410 1 275 . 1 1 24 24 VAL HG13 H 1 0.186 0.02 . 2 . . . . . . . . 6410 1 276 . 1 1 24 24 VAL C C 13 174.068 0.3 . 1 . . . . . . . . 6410 1 277 . 1 1 25 25 VAL N N 15 125.860 0.2 . 1 . . . . . . . . 6410 1 278 . 1 1 25 25 VAL H H 1 8.975 0.02 . 1 . . . . . . . . 6410 1 279 . 1 1 25 25 VAL CA C 13 60.623 0.3 . 1 . . . . . . . . 6410 1 280 . 1 1 25 25 VAL HA H 1 4.517 0.02 . 1 . . . . . . . . 6410 1 281 . 1 1 25 25 VAL CB C 13 34.310 0.3 . 1 . . . . . . . . 6410 1 282 . 1 1 25 25 VAL HB H 1 2.066 0.02 . 1 . . . . . . . . 6410 1 283 . 1 1 25 25 VAL CG2 C 13 21.460 0.3 . 2 . . . . . . . . 6410 1 284 . 1 1 25 25 VAL HG21 H 1 0.625 0.02 . 2 . . . . . . . . 6410 1 285 . 1 1 25 25 VAL HG22 H 1 0.625 0.02 . 2 . . . . . . . . 6410 1 286 . 1 1 25 25 VAL HG23 H 1 0.625 0.02 . 2 . . . . . . . . 6410 1 287 . 1 1 25 25 VAL CG1 C 13 20.903 0.3 . 2 . . . . . . . . 6410 1 288 . 1 1 25 25 VAL HG11 H 1 0.744 0.02 . 2 . . . . . . . . 6410 1 289 . 1 1 25 25 VAL HG12 H 1 0.744 0.02 . 2 . . . . . . . . 6410 1 290 . 1 1 25 25 VAL HG13 H 1 0.744 0.02 . 2 . . . . . . . . 6410 1 291 . 1 1 25 25 VAL C C 13 175.344 0.3 . 1 . . . . . . . . 6410 1 292 . 1 1 26 26 PHE N N 15 126.600 0.2 . 1 . . . . . . . . 6410 1 293 . 1 1 26 26 PHE H H 1 8.975 0.02 . 1 . . . . . . . . 6410 1 294 . 1 1 26 26 PHE CA C 13 59.380 0.3 . 1 . . . . . . . . 6410 1 295 . 1 1 26 26 PHE HA H 1 5.019 0.02 . 1 . . . . . . . . 6410 1 296 . 1 1 26 26 PHE CB C 13 39.080 0.3 . 1 . . . . . . . . 6410 1 297 . 1 1 26 26 PHE HB3 H 1 2.837 0.02 . 2 . . . . . . . . 6410 1 298 . 1 1 26 26 PHE HB2 H 1 3.377 0.02 . 2 . . . . . . . . 6410 1 299 . 1 1 26 26 PHE CD1 C 13 132.415 0.3 . 1 . . . . . . . . 6410 1 300 . 1 1 26 26 PHE HD1 H 1 7.453 0.02 . 1 . . . . . . . . 6410 1 301 . 1 1 26 26 PHE CE1 C 13 130.855 0.3 . 1 . . . . . . . . 6410 1 302 . 1 1 26 26 PHE HE1 H 1 6.973 0.02 . 1 . . . . . . . . 6410 1 303 . 1 1 26 26 PHE CZ C 13 128.825 0.3 . 1 . . . . . . . . 6410 1 304 . 1 1 26 26 PHE HZ H 1 7.279 0.02 . 1 . . . . . . . . 6410 1 305 . 1 1 26 26 PHE CE2 C 13 130.855 0.3 . 1 . . . . . . . . 6410 1 306 . 1 1 26 26 PHE HE2 H 1 6.973 0.02 . 1 . . . . . . . . 6410 1 307 . 1 1 26 26 PHE CD2 C 13 132.415 0.3 . 1 . . . . . . . . 6410 1 308 . 1 1 26 26 PHE HD2 H 1 7.453 0.02 . 1 . . . . . . . . 6410 1 309 . 1 1 26 26 PHE C C 13 175.536 0.3 . 1 . . . . . . . . 6410 1 310 . 1 1 27 27 SER N N 15 121.250 0.2 . 1 . . . . . . . . 6410 1 311 . 1 1 27 27 SER H H 1 9.096 0.02 . 1 . . . . . . . . 6410 1 312 . 1 1 27 27 SER CA C 13 56.060 0.3 . 1 . . . . . . . . 6410 1 313 . 1 1 27 27 SER HA H 1 5.336 0.02 . 1 . . . . . . . . 6410 1 314 . 1 1 27 27 SER CB C 13 66.020 0.3 . 1 . . . . . . . . 6410 1 315 . 1 1 27 27 SER HB3 H 1 3.118 0.02 . 2 . . . . . . . . 6410 1 316 . 1 1 27 27 SER HB2 H 1 3.188 0.02 . 2 . . . . . . . . 6410 1 317 . 1 1 27 27 SER C C 13 172.921 0.3 . 1 . . . . . . . . 6410 1 318 . 1 1 28 28 LYS N N 15 123.220 0.2 . 1 . . . . . . . . 6410 1 319 . 1 1 28 28 LYS H H 1 7.973 0.02 . 1 . . . . . . . . 6410 1 320 . 1 1 28 28 LYS CA C 13 57.363 0.3 . 1 . . . . . . . . 6410 1 321 . 1 1 28 28 LYS HA H 1 4.943 0.02 . 1 . . . . . . . . 6410 1 322 . 1 1 28 28 LYS CB C 13 37.640 0.3 . 1 . . . . . . . . 6410 1 323 . 1 1 28 28 LYS HB3 H 1 1.040 0.02 . 2 . . . . . . . . 6410 1 324 . 1 1 28 28 LYS HB2 H 1 0.990 0.02 . 2 . . . . . . . . 6410 1 325 . 1 1 28 28 LYS CG C 13 28.590 0.3 . 1 . . . . . . . . 6410 1 326 . 1 1 28 28 LYS HG3 H 1 1.495 0.02 . 1 . . . . . . . . 6410 1 327 . 1 1 28 28 LYS HG2 H 1 1.495 0.02 . 1 . . . . . . . . 6410 1 328 . 1 1 28 28 LYS CD C 13 29.908 0.3 . 1 . . . . . . . . 6410 1 329 . 1 1 28 28 LYS HD3 H 1 1.853 0.02 . 2 . . . . . . . . 6410 1 330 . 1 1 28 28 LYS HD2 H 1 1.564 0.02 . 2 . . . . . . . . 6410 1 331 . 1 1 28 28 LYS CE C 13 43.029 0.3 . 1 . . . . . . . . 6410 1 332 . 1 1 28 28 LYS HE3 H 1 2.863 0.02 . 2 . . . . . . . . 6410 1 333 . 1 1 28 28 LYS HE2 H 1 2.792 0.02 . 2 . . . . . . . . 6410 1 334 . 1 1 28 28 LYS C C 13 180.227 0.3 . 1 . . . . . . . . 6410 1 335 . 1 1 29 29 THR N N 15 115.860 0.2 . 1 . . . . . . . . 6410 1 336 . 1 1 29 29 THR H H 1 9.663 0.02 . 1 . . . . . . . . 6410 1 337 . 1 1 29 29 THR CA C 13 65.560 0.3 . 1 . . . . . . . . 6410 1 338 . 1 1 29 29 THR HA H 1 3.666 0.02 . 1 . . . . . . . . 6410 1 339 . 1 1 29 29 THR CB C 13 70.220 0.3 . 1 . . . . . . . . 6410 1 340 . 1 1 29 29 THR HB H 1 4.030 0.02 . 1 . . . . . . . . 6410 1 341 . 1 1 29 29 THR CG2 C 13 21.734 0.3 . 1 . . . . . . . . 6410 1 342 . 1 1 29 29 THR HG21 H 1 1.400 0.02 . 1 . . . . . . . . 6410 1 343 . 1 1 29 29 THR HG22 H 1 1.400 0.02 . 1 . . . . . . . . 6410 1 344 . 1 1 29 29 THR HG23 H 1 1.400 0.02 . 1 . . . . . . . . 6410 1 345 . 1 1 29 29 THR C C 13 176.068 0.3 . 1 . . . . . . . . 6410 1 346 . 1 1 30 30 TYR N N 15 112.886 0.2 . 1 . . . . . . . . 6410 1 347 . 1 1 30 30 TYR H H 1 6.330 0.02 . 1 . . . . . . . . 6410 1 348 . 1 1 30 30 TYR CA C 13 54.904 0.3 . 1 . . . . . . . . 6410 1 349 . 1 1 30 30 TYR HA H 1 4.669 0.02 . 1 . . . . . . . . 6410 1 350 . 1 1 30 30 TYR CB C 13 37.795 0.3 . 1 . . . . . . . . 6410 1 351 . 1 1 30 30 TYR HB3 H 1 3.424 0.02 . 2 . . . . . . . . 6410 1 352 . 1 1 30 30 TYR HB2 H 1 2.813 0.02 . 2 . . . . . . . . 6410 1 353 . 1 1 30 30 TYR CD1 C 13 133.670 0.3 . 1 . . . . . . . . 6410 1 354 . 1 1 30 30 TYR HD1 H 1 7.020 0.02 . 1 . . . . . . . . 6410 1 355 . 1 1 30 30 TYR CE1 C 13 118.775 0.3 . 1 . . . . . . . . 6410 1 356 . 1 1 30 30 TYR HE1 H 1 6.884 0.02 . 1 . . . . . . . . 6410 1 357 . 1 1 30 30 TYR CE2 C 13 118.775 0.3 . 1 . . . . . . . . 6410 1 358 . 1 1 30 30 TYR HE2 H 1 6.884 0.02 . 1 . . . . . . . . 6410 1 359 . 1 1 30 30 TYR CD2 C 13 133.670 0.3 . 1 . . . . . . . . 6410 1 360 . 1 1 30 30 TYR HD2 H 1 7.020 0.02 . 1 . . . . . . . . 6410 1 361 . 1 1 30 30 TYR C C 13 175.141 0.3 . 1 . . . . . . . . 6410 1 362 . 1 1 31 31 CYS N N 15 126.770 0.2 . 1 . . . . . . . . 6410 1 363 . 1 1 31 31 CYS H H 1 6.870 0.02 . 1 . . . . . . . . 6410 1 364 . 1 1 31 31 CYS CA C 13 60.230 0.3 . 1 . . . . . . . . 6410 1 365 . 1 1 31 31 CYS HA H 1 4.372 0.02 . 1 . . . . . . . . 6410 1 366 . 1 1 31 31 CYS CB C 13 30.780 0.3 . 1 . . . . . . . . 6410 1 367 . 1 1 31 31 CYS HB3 H 1 2.562 0.02 . 2 . . . . . . . . 6410 1 368 . 1 1 31 31 CYS HB2 H 1 2.880 0.02 . 2 . . . . . . . . 6410 1 369 . 1 1 31 31 CYS C C 13 177.483 0.3 . 1 . . . . . . . . 6410 1 370 . 1 1 32 32 GLY N N 15 118.370 0.2 . 1 . . . . . . . . 6410 1 371 . 1 1 32 32 GLY H H 1 8.922 0.02 . 1 . . . . . . . . 6410 1 372 . 1 1 32 32 GLY CA C 13 47.390 0.3 . 1 . . . . . . . . 6410 1 373 . 1 1 32 32 GLY HA3 H 1 3.918 0.02 . 1 . . . . . . . . 6410 1 374 . 1 1 32 32 GLY HA2 H 1 3.918 0.02 . 1 . . . . . . . . 6410 1 375 . 1 1 32 32 GLY C C 13 177.427 0.3 . 1 . . . . . . . . 6410 1 376 . 1 1 33 33 TYR N N 15 128.320 0.2 . 1 . . . . . . . . 6410 1 377 . 1 1 33 33 TYR H H 1 9.574 0.02 . 1 . . . . . . . . 6410 1 378 . 1 1 33 33 TYR CA C 13 61.860 0.3 . 1 . . . . . . . . 6410 1 379 . 1 1 33 33 TYR HA H 1 4.432 0.02 . 1 . . . . . . . . 6410 1 380 . 1 1 33 33 TYR CB C 13 37.920 0.3 . 1 . . . . . . . . 6410 1 381 . 1 1 33 33 TYR HB3 H 1 2.955 0.02 . 2 . . . . . . . . 6410 1 382 . 1 1 33 33 TYR HB2 H 1 3.222 0.02 . 2 . . . . . . . . 6410 1 383 . 1 1 33 33 TYR CD1 C 13 133.042 0.3 . 1 . . . . . . . . 6410 1 384 . 1 1 33 33 TYR HD1 H 1 7.377 0.02 . 1 . . . . . . . . 6410 1 385 . 1 1 33 33 TYR CE1 C 13 118.562 0.3 . 1 . . . . . . . . 6410 1 386 . 1 1 33 33 TYR HE1 H 1 6.970 0.02 . 1 . . . . . . . . 6410 1 387 . 1 1 33 33 TYR CE2 C 13 118.562 0.3 . 1 . . . . . . . . 6410 1 388 . 1 1 33 33 TYR HE2 H 1 6.970 0.02 . 1 . . . . . . . . 6410 1 389 . 1 1 33 33 TYR CD2 C 13 133.042 0.3 . 1 . . . . . . . . 6410 1 390 . 1 1 33 33 TYR HD2 H 1 7.377 0.02 . 1 . . . . . . . . 6410 1 391 . 1 1 33 33 TYR C C 13 179.220 0.3 . 1 . . . . . . . . 6410 1 392 . 1 1 34 34 CYS N N 15 127.960 0.2 . 1 . . . . . . . . 6410 1 393 . 1 1 34 34 CYS H H 1 9.383 0.02 . 1 . . . . . . . . 6410 1 394 . 1 1 34 34 CYS CA C 13 64.570 0.3 . 1 . . . . . . . . 6410 1 395 . 1 1 34 34 CYS HA H 1 3.932 0.02 . 1 . . . . . . . . 6410 1 396 . 1 1 34 34 CYS CB C 13 28.510 0.3 . 1 . . . . . . . . 6410 1 397 . 1 1 34 34 CYS HB3 H 1 3.001 0.02 . 2 . . . . . . . . 6410 1 398 . 1 1 34 34 CYS HB2 H 1 3.610 0.02 . 2 . . . . . . . . 6410 1 399 . 1 1 34 34 CYS C C 13 177.508 0.3 . 1 . . . . . . . . 6410 1 400 . 1 1 35 35 ASN N N 15 118.300 0.2 . 1 . . . . . . . . 6410 1 401 . 1 1 35 35 ASN H H 1 8.271 0.02 . 1 . . . . . . . . 6410 1 402 . 1 1 35 35 ASN CA C 13 56.590 0.3 . 1 . . . . . . . . 6410 1 403 . 1 1 35 35 ASN HA H 1 4.381 0.02 . 1 . . . . . . . . 6410 1 404 . 1 1 35 35 ASN CB C 13 37.580 0.3 . 1 . . . . . . . . 6410 1 405 . 1 1 35 35 ASN HB3 H 1 2.834 0.02 . 2 . . . . . . . . 6410 1 406 . 1 1 35 35 ASN HB2 H 1 2.889 0.02 . 2 . . . . . . . . 6410 1 407 . 1 1 35 35 ASN CG C 13 175.365 0.3 . 1 . . . . . . . . 6410 1 408 . 1 1 35 35 ASN ND2 N 15 112.416 0.2 . 1 . . . . . . . . 6410 1 409 . 1 1 35 35 ASN HD21 H 1 7.681 0.02 . 2 . . . . . . . . 6410 1 410 . 1 1 35 35 ASN HD22 H 1 7.120 0.02 . 2 . . . . . . . . 6410 1 411 . 1 1 35 35 ASN C C 13 177.306 0.3 . 1 . . . . . . . . 6410 1 412 . 1 1 36 36 ARG N N 15 120.440 0.2 . 1 . . . . . . . . 6410 1 413 . 1 1 36 36 ARG H H 1 7.772 0.02 . 1 . . . . . . . . 6410 1 414 . 1 1 36 36 ARG CA C 13 59.590 0.3 . 1 . . . . . . . . 6410 1 415 . 1 1 36 36 ARG HA H 1 4.064 0.02 . 1 . . . . . . . . 6410 1 416 . 1 1 36 36 ARG CB C 13 29.730 0.3 . 1 . . . . . . . . 6410 1 417 . 1 1 36 36 ARG HB3 H 1 2.176 0.02 . 2 . . . . . . . . 6410 1 418 . 1 1 36 36 ARG HB2 H 1 2.035 0.02 . 2 . . . . . . . . 6410 1 419 . 1 1 36 36 ARG CG C 13 27.346 0.3 . 1 . . . . . . . . 6410 1 420 . 1 1 36 36 ARG HG3 H 1 1.573 0.02 . 2 . . . . . . . . 6410 1 421 . 1 1 36 36 ARG HG2 H 1 1.686 0.02 . 2 . . . . . . . . 6410 1 422 . 1 1 36 36 ARG CD C 13 43.577 0.3 . 1 . . . . . . . . 6410 1 423 . 1 1 36 36 ARG HD3 H 1 3.218 0.02 . 2 . . . . . . . . 6410 1 424 . 1 1 36 36 ARG HD2 H 1 3.126 0.02 . 2 . . . . . . . . 6410 1 425 . 1 1 36 36 ARG NE N 15 84.890 0.2 . 1 . . . . . . . . 6410 1 426 . 1 1 36 36 ARG HE H 1 7.273 0.02 . 1 . . . . . . . . 6410 1 427 . 1 1 36 36 ARG C C 13 178.955 0.3 . 1 . . . . . . . . 6410 1 428 . 1 1 37 37 VAL N N 15 119.360 0.2 . 1 . . . . . . . . 6410 1 429 . 1 1 37 37 VAL H H 1 7.711 0.02 . 1 . . . . . . . . 6410 1 430 . 1 1 37 37 VAL CA C 13 66.670 0.3 . 1 . . . . . . . . 6410 1 431 . 1 1 37 37 VAL HA H 1 3.597 0.02 . 1 . . . . . . . . 6410 1 432 . 1 1 37 37 VAL CB C 13 31.550 0.3 . 1 . . . . . . . . 6410 1 433 . 1 1 37 37 VAL HB H 1 2.086 0.02 . 1 . . . . . . . . 6410 1 434 . 1 1 37 37 VAL CG2 C 13 24.922 0.3 . 2 . . . . . . . . 6410 1 435 . 1 1 37 37 VAL HG21 H 1 1.031 0.02 . 2 . . . . . . . . 6410 1 436 . 1 1 37 37 VAL HG22 H 1 1.031 0.02 . 2 . . . . . . . . 6410 1 437 . 1 1 37 37 VAL HG23 H 1 1.031 0.02 . 2 . . . . . . . . 6410 1 438 . 1 1 37 37 VAL CG1 C 13 21.994 0.3 . 2 . . . . . . . . 6410 1 439 . 1 1 37 37 VAL HG11 H 1 0.813 0.02 . 2 . . . . . . . . 6410 1 440 . 1 1 37 37 VAL HG12 H 1 0.813 0.02 . 2 . . . . . . . . 6410 1 441 . 1 1 37 37 VAL HG13 H 1 0.813 0.02 . 2 . . . . . . . . 6410 1 442 . 1 1 37 37 VAL C C 13 176.469 0.3 . 1 . . . . . . . . 6410 1 443 . 1 1 38 38 LYS N N 15 120.650 0.2 . 1 . . . . . . . . 6410 1 444 . 1 1 38 38 LYS H H 1 8.161 0.02 . 1 . . . . . . . . 6410 1 445 . 1 1 38 38 LYS CA C 13 60.430 0.3 . 1 . . . . . . . . 6410 1 446 . 1 1 38 38 LYS HA H 1 3.433 0.02 . 1 . . . . . . . . 6410 1 447 . 1 1 38 38 LYS CB C 13 33.160 0.3 . 1 . . . . . . . . 6410 1 448 . 1 1 38 38 LYS HB3 H 1 1.882 0.02 . 2 . . . . . . . . 6410 1 449 . 1 1 38 38 LYS HB2 H 1 2.086 0.02 . 2 . . . . . . . . 6410 1 450 . 1 1 38 38 LYS CG C 13 25.995 0.3 . 1 . . . . . . . . 6410 1 451 . 1 1 38 38 LYS HG3 H 1 1.455 0.02 . 2 . . . . . . . . 6410 1 452 . 1 1 38 38 LYS HG2 H 1 1.218 0.02 . 2 . . . . . . . . 6410 1 453 . 1 1 38 38 LYS CD C 13 31.353 0.3 . 1 . . . . . . . . 6410 1 454 . 1 1 38 38 LYS HD3 H 1 1.748 0.02 . 2 . . . . . . . . 6410 1 455 . 1 1 38 38 LYS HD2 H 1 1.525 0.02 . 2 . . . . . . . . 6410 1 456 . 1 1 38 38 LYS CE C 13 41.987 0.3 . 1 . . . . . . . . 6410 1 457 . 1 1 38 38 LYS HE3 H 1 2.769 0.02 . 2 . . . . . . . . 6410 1 458 . 1 1 38 38 LYS HE2 H 1 2.717 0.02 . 2 . . . . . . . . 6410 1 459 . 1 1 38 38 LYS C C 13 178.749 0.3 . 1 . . . . . . . . 6410 1 460 . 1 1 39 39 GLN N N 15 117.800 0.2 . 1 . . . . . . . . 6410 1 461 . 1 1 39 39 GLN H H 1 8.179 0.02 . 1 . . . . . . . . 6410 1 462 . 1 1 39 39 GLN CA C 13 59.110 0.3 . 1 . . . . . . . . 6410 1 463 . 1 1 39 39 GLN HA H 1 3.963 0.02 . 1 . . . . . . . . 6410 1 464 . 1 1 39 39 GLN CB C 13 28.230 0.3 . 1 . . . . . . . . 6410 1 465 . 1 1 39 39 GLN HB3 H 1 2.122 0.02 . 1 . . . . . . . . 6410 1 466 . 1 1 39 39 GLN HB2 H 1 2.122 0.02 . 1 . . . . . . . . 6410 1 467 . 1 1 39 39 GLN CG C 13 34.100 0.3 . 1 . . . . . . . . 6410 1 468 . 1 1 39 39 GLN HG3 H 1 2.342 0.02 . 2 . . . . . . . . 6410 1 469 . 1 1 39 39 GLN HG2 H 1 2.528 0.02 . 2 . . . . . . . . 6410 1 470 . 1 1 39 39 GLN CD C 13 180.357 0.3 . 1 . . . . . . . . 6410 1 471 . 1 1 39 39 GLN NE2 N 15 111.610 0.2 . 1 . . . . . . . . 6410 1 472 . 1 1 39 39 GLN HE21 H 1 7.458 0.02 . 2 . . . . . . . . 6410 1 473 . 1 1 39 39 GLN HE22 H 1 6.839 0.02 . 2 . . . . . . . . 6410 1 474 . 1 1 39 39 GLN C C 13 178.569 0.3 . 1 . . . . . . . . 6410 1 475 . 1 1 40 40 LEU N N 15 121.960 0.2 . 1 . . . . . . . . 6410 1 476 . 1 1 40 40 LEU H H 1 7.845 0.02 . 1 . . . . . . . . 6410 1 477 . 1 1 40 40 LEU CA C 13 58.500 0.3 . 1 . . . . . . . . 6410 1 478 . 1 1 40 40 LEU HA H 1 4.038 0.02 . 1 . . . . . . . . 6410 1 479 . 1 1 40 40 LEU CB C 13 42.030 0.3 . 1 . . . . . . . . 6410 1 480 . 1 1 40 40 LEU HB3 H 1 1.587 0.02 . 1 . . . . . . . . 6410 1 481 . 1 1 40 40 LEU HB2 H 1 1.587 0.02 . 1 . . . . . . . . 6410 1 482 . 1 1 40 40 LEU CG C 13 25.400 0.3 . 1 . . . . . . . . 6410 1 483 . 1 1 40 40 LEU HG H 1 0.541 0.02 . 1 . . . . . . . . 6410 1 484 . 1 1 40 40 LEU CD1 C 13 24.270 0.3 . 2 . . . . . . . . 6410 1 485 . 1 1 40 40 LEU HD11 H 1 0.640 0.02 . 2 . . . . . . . . 6410 1 486 . 1 1 40 40 LEU HD12 H 1 0.640 0.02 . 2 . . . . . . . . 6410 1 487 . 1 1 40 40 LEU HD13 H 1 0.640 0.02 . 2 . . . . . . . . 6410 1 488 . 1 1 40 40 LEU CD2 C 13 27.354 0.3 . 2 . . . . . . . . 6410 1 489 . 1 1 40 40 LEU HD21 H 1 1.273 0.02 . 2 . . . . . . . . 6410 1 490 . 1 1 40 40 LEU HD22 H 1 1.273 0.02 . 2 . . . . . . . . 6410 1 491 . 1 1 40 40 LEU HD23 H 1 1.273 0.02 . 2 . . . . . . . . 6410 1 492 . 1 1 40 40 LEU C C 13 178.263 0.3 . 1 . . . . . . . . 6410 1 493 . 1 1 41 41 LEU N N 15 117.110 0.2 . 1 . . . . . . . . 6410 1 494 . 1 1 41 41 LEU H H 1 8.123 0.02 . 1 . . . . . . . . 6410 1 495 . 1 1 41 41 LEU CA C 13 57.590 0.3 . 1 . . . . . . . . 6410 1 496 . 1 1 41 41 LEU HA H 1 3.774 0.02 . 1 . . . . . . . . 6410 1 497 . 1 1 41 41 LEU CB C 13 41.730 0.3 . 1 . . . . . . . . 6410 1 498 . 1 1 41 41 LEU HB3 H 1 0.835 0.02 . 2 . . . . . . . . 6410 1 499 . 1 1 41 41 LEU HB2 H 1 1.345 0.02 . 2 . . . . . . . . 6410 1 500 . 1 1 41 41 LEU CG C 13 26.500 0.3 . 1 . . . . . . . . 6410 1 501 . 1 1 41 41 LEU HG H 1 1.562 0.02 . 1 . . . . . . . . 6410 1 502 . 1 1 41 41 LEU CD1 C 13 22.050 0.3 . 2 . . . . . . . . 6410 1 503 . 1 1 41 41 LEU HD11 H 1 0.471 0.02 . 2 . . . . . . . . 6410 1 504 . 1 1 41 41 LEU HD12 H 1 0.471 0.02 . 2 . . . . . . . . 6410 1 505 . 1 1 41 41 LEU HD13 H 1 0.471 0.02 . 2 . . . . . . . . 6410 1 506 . 1 1 41 41 LEU CD2 C 13 26.230 0.3 . 2 . . . . . . . . 6410 1 507 . 1 1 41 41 LEU HD21 H 1 0.064 0.02 . 2 . . . . . . . . 6410 1 508 . 1 1 41 41 LEU HD22 H 1 0.064 0.02 . 2 . . . . . . . . 6410 1 509 . 1 1 41 41 LEU HD23 H 1 0.064 0.02 . 2 . . . . . . . . 6410 1 510 . 1 1 41 41 LEU C C 13 178.809 0.3 . 1 . . . . . . . . 6410 1 511 . 1 1 42 42 THR N N 15 116.100 0.2 . 1 . . . . . . . . 6410 1 512 . 1 1 42 42 THR H H 1 8.362 0.02 . 1 . . . . . . . . 6410 1 513 . 1 1 42 42 THR CA C 13 67.290 0.3 . 1 . . . . . . . . 6410 1 514 . 1 1 42 42 THR HA H 1 4.270 0.02 . 1 . . . . . . . . 6410 1 515 . 1 1 42 42 THR CB C 13 69.220 0.3 . 1 . . . . . . . . 6410 1 516 . 1 1 42 42 THR HB H 1 4.319 0.02 . 1 . . . . . . . . 6410 1 517 . 1 1 42 42 THR CG2 C 13 21.700 0.3 . 1 . . . . . . . . 6410 1 518 . 1 1 42 42 THR HG21 H 1 1.309 0.02 . 1 . . . . . . . . 6410 1 519 . 1 1 42 42 THR HG22 H 1 1.309 0.02 . 1 . . . . . . . . 6410 1 520 . 1 1 42 42 THR HG23 H 1 1.309 0.02 . 1 . . . . . . . . 6410 1 521 . 1 1 42 42 THR C C 13 177.913 0.3 . 1 . . . . . . . . 6410 1 522 . 1 1 43 43 GLN N N 15 124.240 0.2 . 1 . . . . . . . . 6410 1 523 . 1 1 43 43 GLN H H 1 8.505 0.02 . 1 . . . . . . . . 6410 1 524 . 1 1 43 43 GLN CA C 13 59.510 0.3 . 1 . . . . . . . . 6410 1 525 . 1 1 43 43 GLN HA H 1 4.048 0.02 . 1 . . . . . . . . 6410 1 526 . 1 1 43 43 GLN CB C 13 28.290 0.3 . 1 . . . . . . . . 6410 1 527 . 1 1 43 43 GLN HB3 H 1 2.313 0.02 . 1 . . . . . . . . 6410 1 528 . 1 1 43 43 GLN HB2 H 1 2.313 0.02 . 1 . . . . . . . . 6410 1 529 . 1 1 43 43 GLN CG C 13 33.953 0.3 . 1 . . . . . . . . 6410 1 530 . 1 1 43 43 GLN HG3 H 1 2.513 0.02 . 2 . . . . . . . . 6410 1 531 . 1 1 43 43 GLN HG2 H 1 2.368 0.02 . 2 . . . . . . . . 6410 1 532 . 1 1 43 43 GLN CD C 13 180.212 0.3 . 1 . . . . . . . . 6410 1 533 . 1 1 43 43 GLN NE2 N 15 111.005 0.2 . 1 . . . . . . . . 6410 1 534 . 1 1 43 43 GLN HE21 H 1 7.457 0.02 . 2 . . . . . . . . 6410 1 535 . 1 1 43 43 GLN HE22 H 1 6.801 0.02 . 2 . . . . . . . . 6410 1 536 . 1 1 43 43 GLN C C 13 178.633 0.3 . 1 . . . . . . . . 6410 1 537 . 1 1 44 44 VAL N N 15 110.590 0.2 . 1 . . . . . . . . 6410 1 538 . 1 1 44 44 VAL H H 1 7.852 0.02 . 1 . . . . . . . . 6410 1 539 . 1 1 44 44 VAL CA C 13 61.670 0.3 . 1 . . . . . . . . 6410 1 540 . 1 1 44 44 VAL HA H 1 4.350 0.02 . 1 . . . . . . . . 6410 1 541 . 1 1 44 44 VAL CB C 13 31.350 0.3 . 1 . . . . . . . . 6410 1 542 . 1 1 44 44 VAL HB H 1 2.433 0.02 . 1 . . . . . . . . 6410 1 543 . 1 1 44 44 VAL CG2 C 13 20.978 0.3 . 2 . . . . . . . . 6410 1 544 . 1 1 44 44 VAL HG21 H 1 0.798 0.02 . 2 . . . . . . . . 6410 1 545 . 1 1 44 44 VAL HG22 H 1 0.798 0.02 . 2 . . . . . . . . 6410 1 546 . 1 1 44 44 VAL HG23 H 1 0.798 0.02 . 2 . . . . . . . . 6410 1 547 . 1 1 44 44 VAL CG1 C 13 19.555 0.3 . 2 . . . . . . . . 6410 1 548 . 1 1 44 44 VAL HG11 H 1 0.852 0.02 . 2 . . . . . . . . 6410 1 549 . 1 1 44 44 VAL HG12 H 1 0.852 0.02 . 2 . . . . . . . . 6410 1 550 . 1 1 44 44 VAL HG13 H 1 0.852 0.02 . 2 . . . . . . . . 6410 1 551 . 1 1 44 44 VAL C C 13 175.959 0.3 . 1 . . . . . . . . 6410 1 552 . 1 1 45 45 GLY N N 15 108.750 0.2 . 1 . . . . . . . . 6410 1 553 . 1 1 45 45 GLY H H 1 7.797 0.02 . 1 . . . . . . . . 6410 1 554 . 1 1 45 45 GLY CA C 13 45.800 0.3 . 1 . . . . . . . . 6410 1 555 . 1 1 45 45 GLY HA3 H 1 3.851 0.02 . 2 . . . . . . . . 6410 1 556 . 1 1 45 45 GLY HA2 H 1 4.136 0.02 . 2 . . . . . . . . 6410 1 557 . 1 1 45 45 GLY C C 13 174.844 0.3 . 1 . . . . . . . . 6410 1 558 . 1 1 46 46 ALA N N 15 122.070 0.2 . 1 . . . . . . . . 6410 1 559 . 1 1 46 46 ALA H H 1 8.075 0.02 . 1 . . . . . . . . 6410 1 560 . 1 1 46 46 ALA CA C 13 51.520 0.3 . 1 . . . . . . . . 6410 1 561 . 1 1 46 46 ALA HA H 1 4.558 0.02 . 1 . . . . . . . . 6410 1 562 . 1 1 46 46 ALA CB C 13 20.650 0.3 . 1 . . . . . . . . 6410 1 563 . 1 1 46 46 ALA HB1 H 1 1.272 0.02 . 1 . . . . . . . . 6410 1 564 . 1 1 46 46 ALA HB2 H 1 1.272 0.02 . 1 . . . . . . . . 6410 1 565 . 1 1 46 46 ALA HB3 H 1 1.272 0.02 . 1 . . . . . . . . 6410 1 566 . 1 1 46 46 ALA C C 13 177.111 0.3 . 1 . . . . . . . . 6410 1 567 . 1 1 47 47 SER N N 15 117.620 0.2 . 1 . . . . . . . . 6410 1 568 . 1 1 47 47 SER H H 1 8.444 0.02 . 1 . . . . . . . . 6410 1 569 . 1 1 47 47 SER CA C 13 57.660 0.3 . 1 . . . . . . . . 6410 1 570 . 1 1 47 47 SER HA H 1 4.590 0.02 . 1 . . . . . . . . 6410 1 571 . 1 1 47 47 SER CB C 13 63.740 0.3 . 1 . . . . . . . . 6410 1 572 . 1 1 47 47 SER HB3 H 1 3.786 0.02 . 2 . . . . . . . . 6410 1 573 . 1 1 47 47 SER HB2 H 1 3.815 0.02 . 2 . . . . . . . . 6410 1 574 . 1 1 47 47 SER C C 13 173.767 0.3 . 1 . . . . . . . . 6410 1 575 . 1 1 48 48 TYR N N 15 118.610 0.2 . 1 . . . . . . . . 6410 1 576 . 1 1 48 48 TYR H H 1 7.829 0.02 . 1 . . . . . . . . 6410 1 577 . 1 1 48 48 TYR CA C 13 55.570 0.3 . 1 . . . . . . . . 6410 1 578 . 1 1 48 48 TYR HA H 1 5.199 0.02 . 1 . . . . . . . . 6410 1 579 . 1 1 48 48 TYR CB C 13 41.150 0.3 . 1 . . . . . . . . 6410 1 580 . 1 1 48 48 TYR HB3 H 1 2.399 0.02 . 2 . . . . . . . . 6410 1 581 . 1 1 48 48 TYR HB2 H 1 2.668 0.02 . 2 . . . . . . . . 6410 1 582 . 1 1 48 48 TYR CD1 C 13 134.014 0.3 . 1 . . . . . . . . 6410 1 583 . 1 1 48 48 TYR HD1 H 1 6.571 0.02 . 1 . . . . . . . . 6410 1 584 . 1 1 48 48 TYR CE1 C 13 118.003 0.3 . 1 . . . . . . . . 6410 1 585 . 1 1 48 48 TYR HE1 H 1 6.570 0.02 . 1 . . . . . . . . 6410 1 586 . 1 1 48 48 TYR CE2 C 13 118.003 0.3 . 1 . . . . . . . . 6410 1 587 . 1 1 48 48 TYR HE2 H 1 6.570 0.02 . 1 . . . . . . . . 6410 1 588 . 1 1 48 48 TYR CD2 C 13 134.014 0.3 . 1 . . . . . . . . 6410 1 589 . 1 1 48 48 TYR HD2 H 1 6.571 0.02 . 1 . . . . . . . . 6410 1 590 . 1 1 48 48 TYR C C 13 172.655 0.3 . 1 . . . . . . . . 6410 1 591 . 1 1 49 49 LYS N N 15 123.230 0.2 . 1 . . . . . . . . 6410 1 592 . 1 1 49 49 LYS H H 1 8.666 0.02 . 1 . . . . . . . . 6410 1 593 . 1 1 49 49 LYS CA C 13 54.380 0.3 . 1 . . . . . . . . 6410 1 594 . 1 1 49 49 LYS HA H 1 4.500 0.02 . 1 . . . . . . . . 6410 1 595 . 1 1 49 49 LYS CB C 13 35.610 0.3 . 1 . . . . . . . . 6410 1 596 . 1 1 49 49 LYS HB3 H 1 1.624 0.02 . 2 . . . . . . . . 6410 1 597 . 1 1 49 49 LYS HB2 H 1 1.714 0.02 . 2 . . . . . . . . 6410 1 598 . 1 1 49 49 LYS CG C 13 25.380 0.3 . 1 . . . . . . . . 6410 1 599 . 1 1 49 49 LYS HG3 H 1 1.358 0.02 . 2 . . . . . . . . 6410 1 600 . 1 1 49 49 LYS HG2 H 1 0.986 0.02 . 2 . . . . . . . . 6410 1 601 . 1 1 49 49 LYS CD C 13 29.670 0.3 . 1 . . . . . . . . 6410 1 602 . 1 1 49 49 LYS HD3 H 1 1.507 0.02 . 1 . . . . . . . . 6410 1 603 . 1 1 49 49 LYS HD2 H 1 1.507 0.02 . 1 . . . . . . . . 6410 1 604 . 1 1 49 49 LYS CE C 13 42.270 0.3 . 1 . . . . . . . . 6410 1 605 . 1 1 49 49 LYS HE3 H 1 2.848 0.02 . 2 . . . . . . . . 6410 1 606 . 1 1 49 49 LYS HE2 H 1 2.722 0.02 . 2 . . . . . . . . 6410 1 607 . 1 1 49 49 LYS C C 13 174.521 0.3 . 1 . . . . . . . . 6410 1 608 . 1 1 50 50 VAL N N 15 125.390 0.2 . 1 . . . . . . . . 6410 1 609 . 1 1 50 50 VAL H H 1 8.765 0.02 . 1 . . . . . . . . 6410 1 610 . 1 1 50 50 VAL CA C 13 60.580 0.3 . 1 . . . . . . . . 6410 1 611 . 1 1 50 50 VAL HA H 1 4.780 0.02 . 1 . . . . . . . . 6410 1 612 . 1 1 50 50 VAL CB C 13 33.910 0.3 . 1 . . . . . . . . 6410 1 613 . 1 1 50 50 VAL HB H 1 1.960 0.02 . 1 . . . . . . . . 6410 1 614 . 1 1 50 50 VAL CG2 C 13 22.520 0.3 . 2 . . . . . . . . 6410 1 615 . 1 1 50 50 VAL HG21 H 1 0.903 0.02 . 2 . . . . . . . . 6410 1 616 . 1 1 50 50 VAL HG22 H 1 0.903 0.02 . 2 . . . . . . . . 6410 1 617 . 1 1 50 50 VAL HG23 H 1 0.903 0.02 . 2 . . . . . . . . 6410 1 618 . 1 1 50 50 VAL CG1 C 13 23.210 0.3 . 2 . . . . . . . . 6410 1 619 . 1 1 50 50 VAL HG11 H 1 1.058 0.02 . 2 . . . . . . . . 6410 1 620 . 1 1 50 50 VAL HG12 H 1 1.058 0.02 . 2 . . . . . . . . 6410 1 621 . 1 1 50 50 VAL HG13 H 1 1.058 0.02 . 2 . . . . . . . . 6410 1 622 . 1 1 50 50 VAL C C 13 175.352 0.3 . 1 . . . . . . . . 6410 1 623 . 1 1 51 51 VAL N N 15 129.680 0.2 . 1 . . . . . . . . 6410 1 624 . 1 1 51 51 VAL H H 1 8.568 0.02 . 1 . . . . . . . . 6410 1 625 . 1 1 51 51 VAL CA C 13 61.090 0.3 . 1 . . . . . . . . 6410 1 626 . 1 1 51 51 VAL HA H 1 4.030 0.02 . 1 . . . . . . . . 6410 1 627 . 1 1 51 51 VAL CB C 13 32.903 0.3 . 1 . . . . . . . . 6410 1 628 . 1 1 51 51 VAL HB H 1 1.720 0.02 . 1 . . . . . . . . 6410 1 629 . 1 1 51 51 VAL CG2 C 13 21.463 0.3 . 2 . . . . . . . . 6410 1 630 . 1 1 51 51 VAL HG21 H 1 0.905 0.02 . 2 . . . . . . . . 6410 1 631 . 1 1 51 51 VAL HG22 H 1 0.905 0.02 . 2 . . . . . . . . 6410 1 632 . 1 1 51 51 VAL HG23 H 1 0.905 0.02 . 2 . . . . . . . . 6410 1 633 . 1 1 51 51 VAL CG1 C 13 19.497 0.3 . 2 . . . . . . . . 6410 1 634 . 1 1 51 51 VAL HG11 H 1 0.397 0.02 . 2 . . . . . . . . 6410 1 635 . 1 1 51 51 VAL HG12 H 1 0.397 0.02 . 2 . . . . . . . . 6410 1 636 . 1 1 51 51 VAL HG13 H 1 0.397 0.02 . 2 . . . . . . . . 6410 1 637 . 1 1 51 51 VAL C C 13 174.568 0.3 . 1 . . . . . . . . 6410 1 638 . 1 1 52 52 GLU N N 15 126.360 0.2 . 1 . . . . . . . . 6410 1 639 . 1 1 52 52 GLU H H 1 8.571 0.02 . 1 . . . . . . . . 6410 1 640 . 1 1 52 52 GLU CA C 13 53.300 0.3 . 1 . . . . . . . . 6410 1 641 . 1 1 52 52 GLU HA H 1 5.138 0.02 . 1 . . . . . . . . 6410 1 642 . 1 1 52 52 GLU CB C 13 26.880 0.3 . 1 . . . . . . . . 6410 1 643 . 1 1 52 52 GLU HB3 H 1 1.807 0.02 . 2 . . . . . . . . 6410 1 644 . 1 1 52 52 GLU HB2 H 1 2.041 0.02 . 2 . . . . . . . . 6410 1 645 . 1 1 52 52 GLU CG C 13 32.993 0.3 . 1 . . . . . . . . 6410 1 646 . 1 1 52 52 GLU HG3 H 1 2.094 0.02 . 1 . . . . . . . . 6410 1 647 . 1 1 52 52 GLU HG2 H 1 2.094 0.02 . 1 . . . . . . . . 6410 1 648 . 1 1 52 52 GLU C C 13 178.086 0.3 . 1 . . . . . . . . 6410 1 649 . 1 1 53 53 LEU N N 15 126.110 0.2 . 1 . . . . . . . . 6410 1 650 . 1 1 53 53 LEU H H 1 9.930 0.02 . 1 . . . . . . . . 6410 1 651 . 1 1 53 53 LEU CA C 13 58.250 0.3 . 1 . . . . . . . . 6410 1 652 . 1 1 53 53 LEU HA H 1 4.028 0.02 . 1 . . . . . . . . 6410 1 653 . 1 1 53 53 LEU CB C 13 42.170 0.3 . 1 . . . . . . . . 6410 1 654 . 1 1 53 53 LEU HB3 H 1 1.563 0.02 . 2 . . . . . . . . 6410 1 655 . 1 1 53 53 LEU HB2 H 1 1.837 0.02 . 2 . . . . . . . . 6410 1 656 . 1 1 53 53 LEU CG C 13 27.090 0.3 . 1 . . . . . . . . 6410 1 657 . 1 1 53 53 LEU HG H 1 2.246 0.02 . 1 . . . . . . . . 6410 1 658 . 1 1 53 53 LEU CD1 C 13 24.198 0.3 . 2 . . . . . . . . 6410 1 659 . 1 1 53 53 LEU HD11 H 1 1.110 0.02 . 2 . . . . . . . . 6410 1 660 . 1 1 53 53 LEU HD12 H 1 1.110 0.02 . 2 . . . . . . . . 6410 1 661 . 1 1 53 53 LEU HD13 H 1 1.110 0.02 . 2 . . . . . . . . 6410 1 662 . 1 1 53 53 LEU CD2 C 13 26.044 0.3 . 2 . . . . . . . . 6410 1 663 . 1 1 53 53 LEU HD21 H 1 0.908 0.02 . 2 . . . . . . . . 6410 1 664 . 1 1 53 53 LEU HD22 H 1 0.908 0.02 . 2 . . . . . . . . 6410 1 665 . 1 1 53 53 LEU HD23 H 1 0.908 0.02 . 2 . . . . . . . . 6410 1 666 . 1 1 53 53 LEU C C 13 178.410 0.3 . 1 . . . . . . . . 6410 1 667 . 1 1 54 54 ASP N N 15 111.490 0.2 . 1 . . . . . . . . 6410 1 668 . 1 1 54 54 ASP H H 1 9.807 0.02 . 1 . . . . . . . . 6410 1 669 . 1 1 54 54 ASP CA C 13 54.790 0.3 . 1 . . . . . . . . 6410 1 670 . 1 1 54 54 ASP HA H 1 4.645 0.02 . 1 . . . . . . . . 6410 1 671 . 1 1 54 54 ASP CB C 13 38.790 0.3 . 1 . . . . . . . . 6410 1 672 . 1 1 54 54 ASP HB3 H 1 2.690 0.02 . 2 . . . . . . . . 6410 1 673 . 1 1 54 54 ASP HB2 H 1 3.022 0.02 . 2 . . . . . . . . 6410 1 674 . 1 1 54 54 ASP C C 13 176.511 0.3 . 1 . . . . . . . . 6410 1 675 . 1 1 55 55 GLU N N 15 117.580 0.2 . 1 . . . . . . . . 6410 1 676 . 1 1 55 55 GLU H H 1 7.545 0.02 . 1 . . . . . . . . 6410 1 677 . 1 1 55 55 GLU CA C 13 56.400 0.3 . 1 . . . . . . . . 6410 1 678 . 1 1 55 55 GLU HA H 1 4.487 0.02 . 1 . . . . . . . . 6410 1 679 . 1 1 55 55 GLU CB C 13 30.520 0.3 . 1 . . . . . . . . 6410 1 680 . 1 1 55 55 GLU HB3 H 1 2.025 0.02 . 2 . . . . . . . . 6410 1 681 . 1 1 55 55 GLU HB2 H 1 2.242 0.02 . 2 . . . . . . . . 6410 1 682 . 1 1 55 55 GLU CG C 13 36.814 0.3 . 1 . . . . . . . . 6410 1 683 . 1 1 55 55 GLU HG3 H 1 2.100 0.02 . 2 . . . . . . . . 6410 1 684 . 1 1 55 55 GLU HG2 H 1 2.190 0.02 . 2 . . . . . . . . 6410 1 685 . 1 1 55 55 GLU C C 13 176.018 0.3 . 1 . . . . . . . . 6410 1 686 . 1 1 56 56 LEU N N 15 119.640 0.2 . 1 . . . . . . . . 6410 1 687 . 1 1 56 56 LEU H H 1 7.201 0.02 . 1 . . . . . . . . 6410 1 688 . 1 1 56 56 LEU CA C 13 53.880 0.3 . 1 . . . . . . . . 6410 1 689 . 1 1 56 56 LEU HA H 1 4.772 0.02 . 1 . . . . . . . . 6410 1 690 . 1 1 56 56 LEU CB C 13 43.570 0.3 . 1 . . . . . . . . 6410 1 691 . 1 1 56 56 LEU HB3 H 1 1.644 0.02 . 2 . . . . . . . . 6410 1 692 . 1 1 56 56 LEU HB2 H 1 1.810 0.02 . 2 . . . . . . . . 6410 1 693 . 1 1 56 56 LEU CG C 13 26.126 0.3 . 1 . . . . . . . . 6410 1 694 . 1 1 56 56 LEU HG H 1 1.934 0.02 . 1 . . . . . . . . 6410 1 695 . 1 1 56 56 LEU CD1 C 13 22.864 0.3 . 2 . . . . . . . . 6410 1 696 . 1 1 56 56 LEU HD11 H 1 0.915 0.02 . 2 . . . . . . . . 6410 1 697 . 1 1 56 56 LEU HD12 H 1 0.915 0.02 . 2 . . . . . . . . 6410 1 698 . 1 1 56 56 LEU HD13 H 1 0.915 0.02 . 2 . . . . . . . . 6410 1 699 . 1 1 56 56 LEU CD2 C 13 25.857 0.3 . 2 . . . . . . . . 6410 1 700 . 1 1 56 56 LEU HD21 H 1 0.833 0.02 . 2 . . . . . . . . 6410 1 701 . 1 1 56 56 LEU HD22 H 1 0.833 0.02 . 2 . . . . . . . . 6410 1 702 . 1 1 56 56 LEU HD23 H 1 0.833 0.02 . 2 . . . . . . . . 6410 1 703 . 1 1 56 56 LEU C C 13 179.369 0.3 . 1 . . . . . . . . 6410 1 704 . 1 1 57 57 SER N N 15 122.170 0.2 . 1 . . . . . . . . 6410 1 705 . 1 1 57 57 SER H H 1 9.434 0.02 . 1 . . . . . . . . 6410 1 706 . 1 1 57 57 SER CA C 13 61.250 0.3 . 1 . . . . . . . . 6410 1 707 . 1 1 57 57 SER HA H 1 4.248 0.02 . 1 . . . . . . . . 6410 1 708 . 1 1 57 57 SER CB C 13 62.370 0.3 . 1 . . . . . . . . 6410 1 709 . 1 1 57 57 SER HB3 H 1 3.990 0.02 . 1 . . . . . . . . 6410 1 710 . 1 1 57 57 SER HB2 H 1 3.990 0.02 . 1 . . . . . . . . 6410 1 711 . 1 1 57 57 SER C C 13 175.587 0.3 . 1 . . . . . . . . 6410 1 712 . 1 1 58 58 ASP N N 15 118.750 0.2 . 1 . . . . . . . . 6410 1 713 . 1 1 58 58 ASP H H 1 9.035 0.02 . 1 . . . . . . . . 6410 1 714 . 1 1 58 58 ASP CA C 13 52.080 0.3 . 1 . . . . . . . . 6410 1 715 . 1 1 58 58 ASP HA H 1 5.063 0.02 . 1 . . . . . . . . 6410 1 716 . 1 1 58 58 ASP CB C 13 38.310 0.3 . 1 . . . . . . . . 6410 1 717 . 1 1 58 58 ASP HB3 H 1 3.020 0.02 . 2 . . . . . . . . 6410 1 718 . 1 1 58 58 ASP HB2 H 1 2.528 0.02 . 2 . . . . . . . . 6410 1 719 . 1 1 58 58 ASP C C 13 177.109 0.3 . 1 . . . . . . . . 6410 1 720 . 1 1 59 59 GLY N N 15 108.050 0.2 . 1 . . . . . . . . 6410 1 721 . 1 1 59 59 GLY H H 1 7.970 0.02 . 1 . . . . . . . . 6410 1 722 . 1 1 59 59 GLY CA C 13 48.730 0.3 . 1 . . . . . . . . 6410 1 723 . 1 1 59 59 GLY HA3 H 1 4.805 0.02 . 2 . . . . . . . . 6410 1 724 . 1 1 59 59 GLY HA2 H 1 3.696 0.02 . 2 . . . . . . . . 6410 1 725 . 1 1 59 59 GLY C C 13 176.445 0.3 . 1 . . . . . . . . 6410 1 726 . 1 1 60 60 SER N N 15 116.930 0.2 . 1 . . . . . . . . 6410 1 727 . 1 1 60 60 SER H H 1 8.962 0.02 . 1 . . . . . . . . 6410 1 728 . 1 1 60 60 SER CA C 13 62.250 0.3 . 1 . . . . . . . . 6410 1 729 . 1 1 60 60 SER HA H 1 3.944 0.02 . 1 . . . . . . . . 6410 1 730 . 1 1 60 60 SER CB C 13 61.800 0.3 . 1 . . . . . . . . 6410 1 731 . 1 1 60 60 SER HB3 H 1 4.365 0.02 . 1 . . . . . . . . 6410 1 732 . 1 1 60 60 SER HB2 H 1 4.365 0.02 . 1 . . . . . . . . 6410 1 733 . 1 1 60 60 SER C C 13 177.621 0.3 . 1 . . . . . . . . 6410 1 734 . 1 1 61 61 GLN N N 15 123.770 0.2 . 1 . . . . . . . . 6410 1 735 . 1 1 61 61 GLN H H 1 8.232 0.02 . 1 . . . . . . . . 6410 1 736 . 1 1 61 61 GLN CA C 13 59.660 0.3 . 1 . . . . . . . . 6410 1 737 . 1 1 61 61 GLN HA H 1 4.124 0.02 . 1 . . . . . . . . 6410 1 738 . 1 1 61 61 GLN CB C 13 27.850 0.3 . 1 . . . . . . . . 6410 1 739 . 1 1 61 61 GLN HB3 H 1 1.962 0.02 . 2 . . . . . . . . 6410 1 740 . 1 1 61 61 GLN HB2 H 1 2.253 0.02 . 2 . . . . . . . . 6410 1 741 . 1 1 61 61 GLN CG C 13 34.677 0.3 . 1 . . . . . . . . 6410 1 742 . 1 1 61 61 GLN HG3 H 1 2.536 0.02 . 2 . . . . . . . . 6410 1 743 . 1 1 61 61 GLN HG2 H 1 2.416 0.02 . 2 . . . . . . . . 6410 1 744 . 1 1 61 61 GLN CD C 13 179.948 0.3 . 1 . . . . . . . . 6410 1 745 . 1 1 61 61 GLN NE2 N 15 111.469 0.2 . 1 . . . . . . . . 6410 1 746 . 1 1 61 61 GLN HE21 H 1 7.525 0.02 . 2 . . . . . . . . 6410 1 747 . 1 1 61 61 GLN HE22 H 1 6.956 0.02 . 2 . . . . . . . . 6410 1 748 . 1 1 61 61 GLN C C 13 179.458 0.3 . 1 . . . . . . . . 6410 1 749 . 1 1 62 62 LEU N N 15 120.990 0.2 . 1 . . . . . . . . 6410 1 750 . 1 1 62 62 LEU H H 1 8.543 0.02 . 1 . . . . . . . . 6410 1 751 . 1 1 62 62 LEU CA C 13 58.440 0.3 . 1 . . . . . . . . 6410 1 752 . 1 1 62 62 LEU HA H 1 4.038 0.02 . 1 . . . . . . . . 6410 1 753 . 1 1 62 62 LEU CB C 13 42.260 0.3 . 1 . . . . . . . . 6410 1 754 . 1 1 62 62 LEU HB3 H 1 1.218 0.02 . 2 . . . . . . . . 6410 1 755 . 1 1 62 62 LEU HB2 H 1 2.065 0.02 . 2 . . . . . . . . 6410 1 756 . 1 1 62 62 LEU CG C 13 26.400 0.3 . 1 . . . . . . . . 6410 1 757 . 1 1 62 62 LEU HG H 1 0.788 0.02 . 1 . . . . . . . . 6410 1 758 . 1 1 62 62 LEU CD1 C 13 27.250 0.3 . 1 . . . . . . . . 6410 1 759 . 1 1 62 62 LEU HD11 H 1 1.770 0.02 . 2 . . . . . . . . 6410 1 760 . 1 1 62 62 LEU HD12 H 1 1.770 0.02 . 2 . . . . . . . . 6410 1 761 . 1 1 62 62 LEU HD13 H 1 1.770 0.02 . 2 . . . . . . . . 6410 1 762 . 1 1 62 62 LEU CD2 C 13 24.090 0.3 . 2 . . . . . . . . 6410 1 763 . 1 1 62 62 LEU HD21 H 1 0.850 0.02 . 2 . . . . . . . . 6410 1 764 . 1 1 62 62 LEU HD22 H 1 0.850 0.02 . 2 . . . . . . . . 6410 1 765 . 1 1 62 62 LEU HD23 H 1 0.850 0.02 . 2 . . . . . . . . 6410 1 766 . 1 1 62 62 LEU C C 13 178.681 0.3 . 1 . . . . . . . . 6410 1 767 . 1 1 63 63 GLN N N 15 119.640 0.2 . 1 . . . . . . . . 6410 1 768 . 1 1 63 63 GLN H H 1 8.576 0.02 . 1 . . . . . . . . 6410 1 769 . 1 1 63 63 GLN CA C 13 60.102 0.3 . 1 . . . . . . . . 6410 1 770 . 1 1 63 63 GLN HA H 1 3.900 0.02 . 1 . . . . . . . . 6410 1 771 . 1 1 63 63 GLN CB C 13 28.260 0.3 . 1 . . . . . . . . 6410 1 772 . 1 1 63 63 GLN HB3 H 1 2.206 0.02 . 2 . . . . . . . . 6410 1 773 . 1 1 63 63 GLN HB2 H 1 2.284 0.02 . 2 . . . . . . . . 6410 1 774 . 1 1 63 63 GLN CG C 13 34.246 0.3 . 1 . . . . . . . . 6410 1 775 . 1 1 63 63 GLN HG3 H 1 2.386 0.02 . 1 . . . . . . . . 6410 1 776 . 1 1 63 63 GLN HG2 H 1 2.386 0.02 . 1 . . . . . . . . 6410 1 777 . 1 1 63 63 GLN CD C 13 179.205 0.3 . 1 . . . . . . . . 6410 1 778 . 1 1 63 63 GLN NE2 N 15 109.818 0.2 . 1 . . . . . . . . 6410 1 779 . 1 1 63 63 GLN HE21 H 1 7.355 0.02 . 2 . . . . . . . . 6410 1 780 . 1 1 63 63 GLN HE22 H 1 6.869 0.02 . 2 . . . . . . . . 6410 1 781 . 1 1 63 63 GLN C C 13 178.767 0.3 . 1 . . . . . . . . 6410 1 782 . 1 1 64 64 SER N N 15 115.550 0.2 . 1 . . . . . . . . 6410 1 783 . 1 1 64 64 SER H H 1 7.986 0.02 . 1 . . . . . . . . 6410 1 784 . 1 1 64 64 SER CA C 13 61.730 0.3 . 1 . . . . . . . . 6410 1 785 . 1 1 64 64 SER HA H 1 4.291 0.02 . 1 . . . . . . . . 6410 1 786 . 1 1 64 64 SER CB C 13 62.450 0.3 . 1 . . . . . . . . 6410 1 787 . 1 1 64 64 SER HB3 H 1 3.952 0.02 . 2 . . . . . . . . 6410 1 788 . 1 1 64 64 SER HB2 H 1 4.013 0.02 . 2 . . . . . . . . 6410 1 789 . 1 1 64 64 SER C C 13 177.177 0.3 . 1 . . . . . . . . 6410 1 790 . 1 1 65 65 ALA N N 15 125.650 0.2 . 1 . . . . . . . . 6410 1 791 . 1 1 65 65 ALA H H 1 8.385 0.02 . 1 . . . . . . . . 6410 1 792 . 1 1 65 65 ALA CA C 13 55.400 0.3 . 1 . . . . . . . . 6410 1 793 . 1 1 65 65 ALA HA H 1 4.185 0.02 . 1 . . . . . . . . 6410 1 794 . 1 1 65 65 ALA CB C 13 18.080 0.3 . 1 . . . . . . . . 6410 1 795 . 1 1 65 65 ALA HB1 H 1 1.469 0.02 . 1 . . . . . . . . 6410 1 796 . 1 1 65 65 ALA HB2 H 1 1.469 0.02 . 1 . . . . . . . . 6410 1 797 . 1 1 65 65 ALA HB3 H 1 1.469 0.02 . 1 . . . . . . . . 6410 1 798 . 1 1 65 65 ALA C C 13 179.734 0.3 . 1 . . . . . . . . 6410 1 799 . 1 1 66 66 LEU N N 15 118.520 0.2 . 1 . . . . . . . . 6410 1 800 . 1 1 66 66 LEU H H 1 8.750 0.02 . 1 . . . . . . . . 6410 1 801 . 1 1 66 66 LEU CA C 13 58.850 0.3 . 1 . . . . . . . . 6410 1 802 . 1 1 66 66 LEU HA H 1 4.125 0.02 . 1 . . . . . . . . 6410 1 803 . 1 1 66 66 LEU CB C 13 42.250 0.3 . 1 . . . . . . . . 6410 1 804 . 1 1 66 66 LEU HB3 H 1 1.295 0.02 . 2 . . . . . . . . 6410 1 805 . 1 1 66 66 LEU HB2 H 1 2.044 0.02 . 2 . . . . . . . . 6410 1 806 . 1 1 66 66 LEU CG C 13 26.811 0.3 . 1 . . . . . . . . 6410 1 807 . 1 1 66 66 LEU HG H 1 1.518 0.02 . 1 . . . . . . . . 6410 1 808 . 1 1 66 66 LEU CD1 C 13 23.430 0.3 . 2 . . . . . . . . 6410 1 809 . 1 1 66 66 LEU HD11 H 1 0.504 0.02 . 2 . . . . . . . . 6410 1 810 . 1 1 66 66 LEU HD12 H 1 0.504 0.02 . 2 . . . . . . . . 6410 1 811 . 1 1 66 66 LEU HD13 H 1 0.504 0.02 . 2 . . . . . . . . 6410 1 812 . 1 1 66 66 LEU CD2 C 13 24.840 0.3 . 2 . . . . . . . . 6410 1 813 . 1 1 66 66 LEU HD21 H 1 0.233 0.02 . 2 . . . . . . . . 6410 1 814 . 1 1 66 66 LEU HD22 H 1 0.233 0.02 . 2 . . . . . . . . 6410 1 815 . 1 1 66 66 LEU HD23 H 1 0.233 0.02 . 2 . . . . . . . . 6410 1 816 . 1 1 66 66 LEU C C 13 180.857 0.3 . 1 . . . . . . . . 6410 1 817 . 1 1 67 67 ALA N N 15 125.560 0.2 . 1 . . . . . . . . 6410 1 818 . 1 1 67 67 ALA H H 1 8.370 0.02 . 1 . . . . . . . . 6410 1 819 . 1 1 67 67 ALA CA C 13 55.100 0.3 . 1 . . . . . . . . 6410 1 820 . 1 1 67 67 ALA HA H 1 3.747 0.02 . 1 . . . . . . . . 6410 1 821 . 1 1 67 67 ALA CB C 13 18.080 0.3 . 1 . . . . . . . . 6410 1 822 . 1 1 67 67 ALA HB1 H 1 1.469 0.02 . 1 . . . . . . . . 6410 1 823 . 1 1 67 67 ALA HB2 H 1 1.469 0.02 . 1 . . . . . . . . 6410 1 824 . 1 1 67 67 ALA HB3 H 1 1.469 0.02 . 1 . . . . . . . . 6410 1 825 . 1 1 67 67 ALA C C 13 180.168 0.3 . 1 . . . . . . . . 6410 1 826 . 1 1 68 68 HIS N N 15 118.540 0.2 . 1 . . . . . . . . 6410 1 827 . 1 1 68 68 HIS H H 1 8.127 0.02 . 1 . . . . . . . . 6410 1 828 . 1 1 68 68 HIS CA C 13 59.410 0.3 . 1 . . . . . . . . 6410 1 829 . 1 1 68 68 HIS HA H 1 4.282 0.02 . 1 . . . . . . . . 6410 1 830 . 1 1 68 68 HIS CB C 13 30.200 0.3 . 1 . . . . . . . . 6410 1 831 . 1 1 68 68 HIS HB3 H 1 3.304 0.02 . 2 . . . . . . . . 6410 1 832 . 1 1 68 68 HIS HB2 H 1 3.366 0.02 . 2 . . . . . . . . 6410 1 833 . 1 1 68 68 HIS CD2 C 13 120.485 0.3 . 1 . . . . . . . . 6410 1 834 . 1 1 68 68 HIS HD2 H 1 7.022 0.02 . 1 . . . . . . . . 6410 1 835 . 1 1 68 68 HIS CE1 C 13 138.420 0.3 . 1 . . . . . . . . 6410 1 836 . 1 1 68 68 HIS HE1 H 1 7.994 0.02 . 1 . . . . . . . . 6410 1 837 . 1 1 68 68 HIS C C 13 176.823 0.3 . 1 . . . . . . . . 6410 1 838 . 1 1 69 69 TRP N N 15 118.150 0.2 . 1 . . . . . . . . 6410 1 839 . 1 1 69 69 TRP H H 1 8.729 0.02 . 1 . . . . . . . . 6410 1 840 . 1 1 69 69 TRP CA C 13 57.810 0.3 . 1 . . . . . . . . 6410 1 841 . 1 1 69 69 TRP HA H 1 4.826 0.02 . 1 . . . . . . . . 6410 1 842 . 1 1 69 69 TRP CB C 13 30.910 0.3 . 1 . . . . . . . . 6410 1 843 . 1 1 69 69 TRP HB3 H 1 3.350 0.02 . 2 . . . . . . . . 6410 1 844 . 1 1 69 69 TRP HB2 H 1 3.420 0.02 . 2 . . . . . . . . 6410 1 845 . 1 1 69 69 TRP CD1 C 13 125.907 0.3 . 1 . . . . . . . . 6410 1 846 . 1 1 69 69 TRP HD1 H 1 7.337 0.02 . 1 . . . . . . . . 6410 1 847 . 1 1 69 69 TRP NE1 N 15 128.905 0.2 . 1 . . . . . . . . 6410 1 848 . 1 1 69 69 TRP HE1 H 1 10.328 0.02 . 1 . . . . . . . . 6410 1 849 . 1 1 69 69 TRP CZ2 C 13 114.900 0.3 . 1 . . . . . . . . 6410 1 850 . 1 1 69 69 TRP HZ2 H 1 7.678 0.02 . 1 . . . . . . . . 6410 1 851 . 1 1 69 69 TRP CH2 C 13 125.880 0.3 . 1 . . . . . . . . 6410 1 852 . 1 1 69 69 TRP HH2 H 1 7.010 0.02 . 1 . . . . . . . . 6410 1 853 . 1 1 69 69 TRP CZ3 C 13 122.006 0.3 . 1 . . . . . . . . 6410 1 854 . 1 1 69 69 TRP HZ3 H 1 6.455 0.02 . 1 . . . . . . . . 6410 1 855 . 1 1 69 69 TRP CE3 C 13 119.266 0.3 . 1 . . . . . . . . 6410 1 856 . 1 1 69 69 TRP HE3 H 1 7.160 0.02 . 1 . . . . . . . . 6410 1 857 . 1 1 69 69 TRP C C 13 177.409 0.3 . 1 . . . . . . . . 6410 1 858 . 1 1 70 70 THR N N 15 104.640 0.2 . 1 . . . . . . . . 6410 1 859 . 1 1 70 70 THR H H 1 8.395 0.02 . 1 . . . . . . . . 6410 1 860 . 1 1 70 70 THR CA C 13 62.120 0.3 . 1 . . . . . . . . 6410 1 861 . 1 1 70 70 THR HA H 1 4.145 0.02 . 1 . . . . . . . . 6410 1 862 . 1 1 70 70 THR CB C 13 72.150 0.3 . 1 . . . . . . . . 6410 1 863 . 1 1 70 70 THR HB H 1 4.061 0.02 . 1 . . . . . . . . 6410 1 864 . 1 1 70 70 THR CG2 C 13 21.178 0.3 . 1 . . . . . . . . 6410 1 865 . 1 1 70 70 THR HG21 H 1 0.562 0.02 . 1 . . . . . . . . 6410 1 866 . 1 1 70 70 THR HG22 H 1 0.562 0.02 . 1 . . . . . . . . 6410 1 867 . 1 1 70 70 THR HG23 H 1 0.562 0.02 . 1 . . . . . . . . 6410 1 868 . 1 1 70 70 THR C C 13 175.823 0.3 . 1 . . . . . . . . 6410 1 869 . 1 1 71 71 GLY N N 15 111.210 0.2 . 1 . . . . . . . . 6410 1 870 . 1 1 71 71 GLY H H 1 7.647 0.02 . 1 . . . . . . . . 6410 1 871 . 1 1 71 71 GLY CA C 13 45.650 0.3 . 1 . . . . . . . . 6410 1 872 . 1 1 71 71 GLY HA3 H 1 3.813 0.02 . 2 . . . . . . . . 6410 1 873 . 1 1 71 71 GLY HA2 H 1 4.272 0.02 . 2 . . . . . . . . 6410 1 874 . 1 1 71 71 GLY C C 13 172.904 0.3 . 1 . . . . . . . . 6410 1 875 . 1 1 72 72 ARG N N 15 121.150 0.2 . 1 . . . . . . . . 6410 1 876 . 1 1 72 72 ARG H H 1 7.701 0.02 . 1 . . . . . . . . 6410 1 877 . 1 1 72 72 ARG CA C 13 55.150 0.3 . 1 . . . . . . . . 6410 1 878 . 1 1 72 72 ARG HA H 1 4.521 0.02 . 1 . . . . . . . . 6410 1 879 . 1 1 72 72 ARG CB C 13 31.490 0.3 . 1 . . . . . . . . 6410 1 880 . 1 1 72 72 ARG HB3 H 1 1.520 0.02 . 2 . . . . . . . . 6410 1 881 . 1 1 72 72 ARG HB2 H 1 1.606 0.02 . 2 . . . . . . . . 6410 1 882 . 1 1 72 72 ARG CG C 13 27.152 0.3 . 1 . . . . . . . . 6410 1 883 . 1 1 72 72 ARG HG3 H 1 1.383 0.02 . 2 . . . . . . . . 6410 1 884 . 1 1 72 72 ARG HG2 H 1 1.472 0.02 . 2 . . . . . . . . 6410 1 885 . 1 1 72 72 ARG CD C 13 42.569 0.3 . 1 . . . . . . . . 6410 1 886 . 1 1 72 72 ARG HD3 H 1 2.824 0.02 . 2 . . . . . . . . 6410 1 887 . 1 1 72 72 ARG HD2 H 1 3.129 0.02 . 2 . . . . . . . . 6410 1 888 . 1 1 72 72 ARG NE N 15 82.604 0.2 . 1 . . . . . . . . 6410 1 889 . 1 1 72 72 ARG HE H 1 7.314 0.02 . 1 . . . . . . . . 6410 1 890 . 1 1 72 72 ARG C C 13 175.193 0.3 . 1 . . . . . . . . 6410 1 891 . 1 1 73 73 GLY N N 15 114.240 0.2 . 1 . . . . . . . . 6410 1 892 . 1 1 73 73 GLY H H 1 9.049 0.02 . 1 . . . . . . . . 6410 1 893 . 1 1 73 73 GLY CA C 13 45.190 0.3 . 1 . . . . . . . . 6410 1 894 . 1 1 73 73 GLY HA3 H 1 3.686 0.02 . 2 . . . . . . . . 6410 1 895 . 1 1 73 73 GLY HA2 H 1 4.209 0.02 . 2 . . . . . . . . 6410 1 896 . 1 1 73 73 GLY C C 13 173.097 0.3 . 1 . . . . . . . . 6410 1 897 . 1 1 74 74 THR N N 15 108.330 0.2 . 1 . . . . . . . . 6410 1 898 . 1 1 74 74 THR H H 1 6.880 0.02 . 1 . . . . . . . . 6410 1 899 . 1 1 74 74 THR CA C 13 59.430 0.3 . 1 . . . . . . . . 6410 1 900 . 1 1 74 74 THR HA H 1 4.474 0.02 . 1 . . . . . . . . 6410 1 901 . 1 1 74 74 THR CB C 13 71.200 0.3 . 1 . . . . . . . . 6410 1 902 . 1 1 74 74 THR HB H 1 4.314 0.02 . 1 . . . . . . . . 6410 1 903 . 1 1 74 74 THR CG2 C 13 21.495 0.3 . 1 . . . . . . . . 6410 1 904 . 1 1 74 74 THR HG21 H 1 1.156 0.02 . 1 . . . . . . . . 6410 1 905 . 1 1 74 74 THR HG22 H 1 1.156 0.02 . 1 . . . . . . . . 6410 1 906 . 1 1 74 74 THR HG23 H 1 1.156 0.02 . 1 . . . . . . . . 6410 1 907 . 1 1 74 74 THR C C 13 174.174 0.3 . 1 . . . . . . . . 6410 1 908 . 1 1 75 75 VAL N N 15 112.100 0.2 . 1 . . . . . . . . 6410 1 909 . 1 1 75 75 VAL H H 1 8.093 0.02 . 1 . . . . . . . . 6410 1 910 . 1 1 75 75 VAL CA C 13 58.450 0.3 . 1 . . . . . . . . 6410 1 911 . 1 1 75 75 VAL HA H 1 4.297 0.02 . 1 . . . . . . . . 6410 1 912 . 1 1 75 75 VAL CB C 13 32.070 0.3 . 1 . . . . . . . . 6410 1 913 . 1 1 75 75 VAL HB H 1 2.292 0.02 . 1 . . . . . . . . 6410 1 914 . 1 1 75 75 VAL CG2 C 13 22.321 0.3 . 2 . . . . . . . . 6410 1 915 . 1 1 75 75 VAL HG21 H 1 0.820 0.02 . 2 . . . . . . . . 6410 1 916 . 1 1 75 75 VAL HG22 H 1 0.820 0.02 . 2 . . . . . . . . 6410 1 917 . 1 1 75 75 VAL HG23 H 1 0.820 0.02 . 2 . . . . . . . . 6410 1 918 . 1 1 75 75 VAL CG1 C 13 18.096 0.3 . 2 . . . . . . . . 6410 1 919 . 1 1 75 75 VAL HG11 H 1 0.880 0.02 . 2 . . . . . . . . 6410 1 920 . 1 1 75 75 VAL HG12 H 1 0.880 0.02 . 2 . . . . . . . . 6410 1 921 . 1 1 75 75 VAL HG13 H 1 0.880 0.02 . 2 . . . . . . . . 6410 1 922 . 1 1 75 75 VAL C C 13 172.679 0.3 . 1 . . . . . . . . 6410 1 923 . 1 1 76 76 PRO CA C 13 61.386 0.3 . 1 . . . . . . . . 6410 1 924 . 1 1 76 76 PRO HA H 1 5.411 0.02 . 1 . . . . . . . . 6410 1 925 . 1 1 76 76 PRO CB C 13 35.420 0.3 . 1 . . . . . . . . 6410 1 926 . 1 1 76 76 PRO HB3 H 1 1.784 0.02 . 2 . . . . . . . . 6410 1 927 . 1 1 76 76 PRO HB2 H 1 2.821 0.02 . 2 . . . . . . . . 6410 1 928 . 1 1 76 76 PRO CG C 13 25.030 0.3 . 1 . . . . . . . . 6410 1 929 . 1 1 76 76 PRO HG3 H 1 1.823 0.02 . 1 . . . . . . . . 6410 1 930 . 1 1 76 76 PRO HG2 H 1 1.823 0.02 . 1 . . . . . . . . 6410 1 931 . 1 1 76 76 PRO CD C 13 50.650 0.3 . 1 . . . . . . . . 6410 1 932 . 1 1 76 76 PRO HD3 H 1 3.964 0.02 . 2 . . . . . . . . 6410 1 933 . 1 1 76 76 PRO HD2 H 1 3.581 0.02 . 2 . . . . . . . . 6410 1 934 . 1 1 76 76 PRO C C 13 176.153 0.3 . 1 . . . . . . . . 6410 1 935 . 1 1 77 77 ASN N N 15 122.360 0.2 . 1 . . . . . . . . 6410 1 936 . 1 1 77 77 ASN H H 1 8.688 0.02 . 1 . . . . . . . . 6410 1 937 . 1 1 77 77 ASN CA C 13 52.850 0.3 . 1 . . . . . . . . 6410 1 938 . 1 1 77 77 ASN HA H 1 4.929 0.02 . 1 . . . . . . . . 6410 1 939 . 1 1 77 77 ASN CB C 13 40.840 0.3 . 1 . . . . . . . . 6410 1 940 . 1 1 77 77 ASN HB3 H 1 2.732 0.02 . 2 . . . . . . . . 6410 1 941 . 1 1 77 77 ASN HB2 H 1 3.255 0.02 . 2 . . . . . . . . 6410 1 942 . 1 1 77 77 ASN CG C 13 175.394 0.3 . 1 . . . . . . . . 6410 1 943 . 1 1 77 77 ASN ND2 N 15 106.042 0.2 . 1 . . . . . . . . 6410 1 944 . 1 1 77 77 ASN HD21 H 1 7.692 0.02 . 2 . . . . . . . . 6410 1 945 . 1 1 77 77 ASN HD22 H 1 5.921 0.02 . 2 . . . . . . . . 6410 1 946 . 1 1 77 77 ASN C C 13 174.598 0.3 . 1 . . . . . . . . 6410 1 947 . 1 1 78 78 VAL N N 15 126.330 0.2 . 1 . . . . . . . . 6410 1 948 . 1 1 78 78 VAL H H 1 9.026 0.02 . 1 . . . . . . . . 6410 1 949 . 1 1 78 78 VAL CA C 13 63.030 0.3 . 1 . . . . . . . . 6410 1 950 . 1 1 78 78 VAL HA H 1 4.844 0.02 . 1 . . . . . . . . 6410 1 951 . 1 1 78 78 VAL CB C 13 33.300 0.3 . 1 . . . . . . . . 6410 1 952 . 1 1 78 78 VAL HB H 1 1.919 0.02 . 1 . . . . . . . . 6410 1 953 . 1 1 78 78 VAL CG2 C 13 20.880 0.3 . 2 . . . . . . . . 6410 1 954 . 1 1 78 78 VAL HG21 H 1 0.730 0.02 . 2 . . . . . . . . 6410 1 955 . 1 1 78 78 VAL HG22 H 1 0.730 0.02 . 2 . . . . . . . . 6410 1 956 . 1 1 78 78 VAL HG23 H 1 0.730 0.02 . 2 . . . . . . . . 6410 1 957 . 1 1 78 78 VAL CG1 C 13 23.100 0.3 . 2 . . . . . . . . 6410 1 958 . 1 1 78 78 VAL HG11 H 1 0.959 0.02 . 2 . . . . . . . . 6410 1 959 . 1 1 78 78 VAL HG12 H 1 0.959 0.02 . 2 . . . . . . . . 6410 1 960 . 1 1 78 78 VAL HG13 H 1 0.959 0.02 . 2 . . . . . . . . 6410 1 961 . 1 1 78 78 VAL C C 13 173.942 0.3 . 1 . . . . . . . . 6410 1 962 . 1 1 79 79 PHE N N 15 129.260 0.2 . 1 . . . . . . . . 6410 1 963 . 1 1 79 79 PHE H H 1 9.765 0.02 . 1 . . . . . . . . 6410 1 964 . 1 1 79 79 PHE CA C 13 56.570 0.3 . 1 . . . . . . . . 6410 1 965 . 1 1 79 79 PHE HA H 1 5.228 0.02 . 1 . . . . . . . . 6410 1 966 . 1 1 79 79 PHE CB C 13 42.730 0.3 . 1 . . . . . . . . 6410 1 967 . 1 1 79 79 PHE HB3 H 1 2.634 0.02 . 2 . . . . . . . . 6410 1 968 . 1 1 79 79 PHE HB2 H 1 3.260 0.02 . 2 . . . . . . . . 6410 1 969 . 1 1 79 79 PHE CD1 C 13 131.450 0.3 . 1 . . . . . . . . 6410 1 970 . 1 1 79 79 PHE HD1 H 1 7.075 0.02 . 1 . . . . . . . . 6410 1 971 . 1 1 79 79 PHE CE1 C 13 131.010 0.3 . 1 . . . . . . . . 6410 1 972 . 1 1 79 79 PHE HE1 H 1 6.897 0.02 . 1 . . . . . . . . 6410 1 973 . 1 1 79 79 PHE CZ C 13 129.468 0.3 . 1 . . . . . . . . 6410 1 974 . 1 1 79 79 PHE HZ H 1 6.316 0.02 . 1 . . . . . . . . 6410 1 975 . 1 1 79 79 PHE CE2 C 13 131.010 0.3 . 1 . . . . . . . . 6410 1 976 . 1 1 79 79 PHE HE2 H 1 6.897 0.02 . 1 . . . . . . . . 6410 1 977 . 1 1 79 79 PHE CD2 C 13 131.450 0.3 . 1 . . . . . . . . 6410 1 978 . 1 1 79 79 PHE HD2 H 1 7.075 0.02 . 1 . . . . . . . . 6410 1 979 . 1 1 79 79 PHE C C 13 174.717 0.3 . 1 . . . . . . . . 6410 1 980 . 1 1 80 80 ILE N N 15 118.150 0.2 . 1 . . . . . . . . 6410 1 981 . 1 1 80 80 ILE H H 1 8.704 0.02 . 1 . . . . . . . . 6410 1 982 . 1 1 80 80 ILE CA C 13 60.740 0.3 . 1 . . . . . . . . 6410 1 983 . 1 1 80 80 ILE HA H 1 5.084 0.02 . 1 . . . . . . . . 6410 1 984 . 1 1 80 80 ILE CB C 13 41.250 0.3 . 1 . . . . . . . . 6410 1 985 . 1 1 80 80 ILE HB H 1 1.622 0.02 . 1 . . . . . . . . 6410 1 986 . 1 1 80 80 ILE CG1 C 13 27.688 0.3 . 1 . . . . . . . . 6410 1 987 . 1 1 80 80 ILE HG13 H 1 1.539 0.02 . 4 . . . . . . . . 6410 1 988 . 1 1 80 80 ILE HG12 H 1 1.120 0.02 . 2 . . . . . . . . 6410 1 989 . 1 1 80 80 ILE CD1 C 13 14.038 0.3 . 1 . . . . . . . . 6410 1 990 . 1 1 80 80 ILE HD11 H 1 0.689 0.02 . 1 . . . . . . . . 6410 1 991 . 1 1 80 80 ILE HD12 H 1 0.689 0.02 . 1 . . . . . . . . 6410 1 992 . 1 1 80 80 ILE HD13 H 1 0.689 0.02 . 1 . . . . . . . . 6410 1 993 . 1 1 80 80 ILE CG2 C 13 17.821 0.3 . 1 . . . . . . . . 6410 1 994 . 1 1 80 80 ILE HG21 H 1 0.789 0.02 . 1 . . . . . . . . 6410 1 995 . 1 1 80 80 ILE HG22 H 1 0.789 0.02 . 1 . . . . . . . . 6410 1 996 . 1 1 80 80 ILE HG23 H 1 0.789 0.02 . 1 . . . . . . . . 6410 1 997 . 1 1 80 80 ILE C C 13 178.418 0.3 . 1 . . . . . . . . 6410 1 998 . 1 1 81 81 GLY N N 15 120.590 0.2 . 1 . . . . . . . . 6410 1 999 . 1 1 81 81 GLY H H 1 10.514 0.02 . 1 . . . . . . . . 6410 1 1000 . 1 1 81 81 GLY CA C 13 46.990 0.3 . 1 . . . . . . . . 6410 1 1001 . 1 1 81 81 GLY HA3 H 1 3.993 0.02 . 2 . . . . . . . . 6410 1 1002 . 1 1 81 81 GLY HA2 H 1 4.205 0.02 . 2 . . . . . . . . 6410 1 1003 . 1 1 81 81 GLY C C 13 176.264 0.3 . 1 . . . . . . . . 6410 1 1004 . 1 1 82 82 GLY N N 15 106.280 0.2 . 1 . . . . . . . . 6410 1 1005 . 1 1 82 82 GLY H H 1 9.556 0.02 . 1 . . . . . . . . 6410 1 1006 . 1 1 82 82 GLY CA C 13 45.110 0.3 . 1 . . . . . . . . 6410 1 1007 . 1 1 82 82 GLY HA3 H 1 3.620 0.02 . 2 . . . . . . . . 6410 1 1008 . 1 1 82 82 GLY HA2 H 1 4.309 0.02 . 2 . . . . . . . . 6410 1 1009 . 1 1 82 82 GLY C C 13 173.181 0.3 . 1 . . . . . . . . 6410 1 1010 . 1 1 83 83 LYS N N 15 120.370 0.2 . 1 . . . . . . . . 6410 1 1011 . 1 1 83 83 LYS H H 1 7.844 0.02 . 1 . . . . . . . . 6410 1 1012 . 1 1 83 83 LYS CA C 13 54.330 0.3 . 1 . . . . . . . . 6410 1 1013 . 1 1 83 83 LYS HA H 1 4.706 0.02 . 1 . . . . . . . . 6410 1 1014 . 1 1 83 83 LYS CB C 13 33.940 0.3 . 1 . . . . . . . . 6410 1 1015 . 1 1 83 83 LYS HB3 H 1 1.863 0.02 . 1 . . . . . . . . 6410 1 1016 . 1 1 83 83 LYS HB2 H 1 1.863 0.02 . 1 . . . . . . . . 6410 1 1017 . 1 1 83 83 LYS CG C 13 24.834 0.3 . 1 . . . . . . . . 6410 1 1018 . 1 1 83 83 LYS HG3 H 1 1.481 0.02 . 1 . . . . . . . . 6410 1 1019 . 1 1 83 83 LYS HG2 H 1 1.481 0.02 . 1 . . . . . . . . 6410 1 1020 . 1 1 83 83 LYS CD C 13 29.040 0.3 . 1 . . . . . . . . 6410 1 1021 . 1 1 83 83 LYS HD3 H 1 1.728 0.02 . 1 . . . . . . . . 6410 1 1022 . 1 1 83 83 LYS HD2 H 1 1.728 0.02 . 1 . . . . . . . . 6410 1 1023 . 1 1 83 83 LYS CE C 13 42.300 0.3 . 1 . . . . . . . . 6410 1 1024 . 1 1 83 83 LYS HE3 H 1 3.062 0.02 . 1 . . . . . . . . 6410 1 1025 . 1 1 83 83 LYS HE2 H 1 3.062 0.02 . 1 . . . . . . . . 6410 1 1026 . 1 1 83 83 LYS C C 13 175.375 0.3 . 1 . . . . . . . . 6410 1 1027 . 1 1 84 84 GLN N N 15 124.500 0.2 . 1 . . . . . . . . 6410 1 1028 . 1 1 84 84 GLN H H 1 8.711 0.02 . 1 . . . . . . . . 6410 1 1029 . 1 1 84 84 GLN CA C 13 57.240 0.3 . 1 . . . . . . . . 6410 1 1030 . 1 1 84 84 GLN HA H 1 2.802 0.02 . 1 . . . . . . . . 6410 1 1031 . 1 1 84 84 GLN CB C 13 27.090 0.3 . 1 . . . . . . . . 6410 1 1032 . 1 1 84 84 GLN HB3 H 1 1.184 0.02 . 2 . . . . . . . . 6410 1 1033 . 1 1 84 84 GLN HB2 H 1 1.670 0.02 . 2 . . . . . . . . 6410 1 1034 . 1 1 84 84 GLN CG C 13 33.270 0.3 . 1 . . . . . . . . 6410 1 1035 . 1 1 84 84 GLN HG3 H 1 1.781 0.02 . 2 . . . . . . . . 6410 1 1036 . 1 1 84 84 GLN HG2 H 1 1.565 0.02 . 2 . . . . . . . . 6410 1 1037 . 1 1 84 84 GLN CD C 13 178.724 0.3 . 1 . . . . . . . . 6410 1 1038 . 1 1 84 84 GLN NE2 N 15 108.748 0.2 . 1 . . . . . . . . 6410 1 1039 . 1 1 84 84 GLN HE21 H 1 7.264 0.02 . 2 . . . . . . . . 6410 1 1040 . 1 1 84 84 GLN HE22 H 1 6.636 0.02 . 2 . . . . . . . . 6410 1 1041 . 1 1 84 84 GLN C C 13 175.400 0.3 . 1 . . . . . . . . 6410 1 1042 . 1 1 85 85 ILE N N 15 125.950 0.2 . 1 . . . . . . . . 6410 1 1043 . 1 1 85 85 ILE H H 1 8.873 0.02 . 1 . . . . . . . . 6410 1 1044 . 1 1 85 85 ILE CA C 13 59.300 0.3 . 1 . . . . . . . . 6410 1 1045 . 1 1 85 85 ILE HA H 1 4.252 0.02 . 1 . . . . . . . . 6410 1 1046 . 1 1 85 85 ILE CB C 13 36.850 0.3 . 1 . . . . . . . . 6410 1 1047 . 1 1 85 85 ILE HB H 1 1.754 0.02 . 1 . . . . . . . . 6410 1 1048 . 1 1 85 85 ILE CG1 C 13 27.034 0.3 . 1 . . . . . . . . 6410 1 1049 . 1 1 85 85 ILE HG13 H 1 1.710 0.02 . 4 . . . . . . . . 6410 1 1050 . 1 1 85 85 ILE HG12 H 1 1.059 0.02 . 4 . . . . . . . . 6410 1 1051 . 1 1 85 85 ILE CD1 C 13 9.380 0.3 . 1 . . . . . . . . 6410 1 1052 . 1 1 85 85 ILE HD11 H 1 0.649 0.02 . 1 . . . . . . . . 6410 1 1053 . 1 1 85 85 ILE HD12 H 1 0.649 0.02 . 1 . . . . . . . . 6410 1 1054 . 1 1 85 85 ILE HD13 H 1 0.649 0.02 . 1 . . . . . . . . 6410 1 1055 . 1 1 85 85 ILE CG2 C 13 17.030 0.3 . 1 . . . . . . . . 6410 1 1056 . 1 1 85 85 ILE HG21 H 1 0.637 0.02 . 1 . . . . . . . . 6410 1 1057 . 1 1 85 85 ILE HG22 H 1 0.637 0.02 . 1 . . . . . . . . 6410 1 1058 . 1 1 85 85 ILE HG23 H 1 0.637 0.02 . 1 . . . . . . . . 6410 1 1059 . 1 1 85 85 ILE C C 13 175.690 0.3 . 1 . . . . . . . . 6410 1 1060 . 1 1 86 86 GLY N N 15 103.790 0.2 . 1 . . . . . . . . 6410 1 1061 . 1 1 86 86 GLY H H 1 7.221 0.02 . 1 . . . . . . . . 6410 1 1062 . 1 1 86 86 GLY CA C 13 44.600 0.3 . 1 . . . . . . . . 6410 1 1063 . 1 1 86 86 GLY HA3 H 1 3.540 0.02 . 2 . . . . . . . . 6410 1 1064 . 1 1 86 86 GLY HA2 H 1 4.465 0.02 . 2 . . . . . . . . 6410 1 1065 . 1 1 86 86 GLY C C 13 171.908 0.3 . 1 . . . . . . . . 6410 1 1066 . 1 1 87 87 GLY N N 15 107.330 0.2 . 1 . . . . . . . . 6410 1 1067 . 1 1 87 87 GLY H H 1 7.909 0.02 . 1 . . . . . . . . 6410 1 1068 . 1 1 87 87 GLY CA C 13 43.940 0.3 . 1 . . . . . . . . 6410 1 1069 . 1 1 87 87 GLY HA3 H 1 3.593 0.02 . 2 . . . . . . . . 6410 1 1070 . 1 1 87 87 GLY HA2 H 1 4.612 0.02 . 2 . . . . . . . . 6410 1 1071 . 1 1 87 87 GLY C C 13 173.351 0.3 . 1 . . . . . . . . 6410 1 1072 . 1 1 88 88 CYS N N 15 118.270 0.2 . 1 . . . . . . . . 6410 1 1073 . 1 1 88 88 CYS H H 1 8.624 0.02 . 1 . . . . . . . . 6410 1 1074 . 1 1 88 88 CYS CA C 13 62.770 0.3 . 1 . . . . . . . . 6410 1 1075 . 1 1 88 88 CYS HA H 1 3.697 0.02 . 1 . . . . . . . . 6410 1 1076 . 1 1 88 88 CYS CB C 13 27.050 0.3 . 1 . . . . . . . . 6410 1 1077 . 1 1 88 88 CYS HB3 H 1 2.511 0.02 . 2 . . . . . . . . 6410 1 1078 . 1 1 88 88 CYS HB2 H 1 3.127 0.02 . 2 . . . . . . . . 6410 1 1079 . 1 1 88 88 CYS C C 13 175.230 0.3 . 1 . . . . . . . . 6410 1 1080 . 1 1 89 89 ASP N N 15 115.790 0.2 . 1 . . . . . . . . 6410 1 1081 . 1 1 89 89 ASP H H 1 8.466 0.02 . 1 . . . . . . . . 6410 1 1082 . 1 1 89 89 ASP CA C 13 57.170 0.3 . 1 . . . . . . . . 6410 1 1083 . 1 1 89 89 ASP HA H 1 4.249 0.02 . 1 . . . . . . . . 6410 1 1084 . 1 1 89 89 ASP CB C 13 38.810 0.3 . 1 . . . . . . . . 6410 1 1085 . 1 1 89 89 ASP HB3 H 1 2.610 0.02 . 2 . . . . . . . . 6410 1 1086 . 1 1 89 89 ASP HB2 H 1 2.710 0.02 . 2 . . . . . . . . 6410 1 1087 . 1 1 89 89 ASP C C 13 178.557 0.3 . 1 . . . . . . . . 6410 1 1088 . 1 1 90 90 THR N N 15 116.480 0.2 . 1 . . . . . . . . 6410 1 1089 . 1 1 90 90 THR H H 1 7.892 0.02 . 1 . . . . . . . . 6410 1 1090 . 1 1 90 90 THR CA C 13 66.680 0.3 . 1 . . . . . . . . 6410 1 1091 . 1 1 90 90 THR HA H 1 3.935 0.02 . 1 . . . . . . . . 6410 1 1092 . 1 1 90 90 THR CB C 13 68.750 0.3 . 1 . . . . . . . . 6410 1 1093 . 1 1 90 90 THR HB H 1 3.822 0.02 . 1 . . . . . . . . 6410 1 1094 . 1 1 90 90 THR CG2 C 13 22.591 0.3 . 1 . . . . . . . . 6410 1 1095 . 1 1 90 90 THR HG21 H 1 1.207 0.02 . 1 . . . . . . . . 6410 1 1096 . 1 1 90 90 THR HG22 H 1 1.207 0.02 . 1 . . . . . . . . 6410 1 1097 . 1 1 90 90 THR HG23 H 1 1.207 0.02 . 1 . . . . . . . . 6410 1 1098 . 1 1 90 90 THR C C 13 176.403 0.3 . 1 . . . . . . . . 6410 1 1099 . 1 1 91 91 VAL N N 15 120.320 0.2 . 1 . . . . . . . . 6410 1 1100 . 1 1 91 91 VAL H H 1 7.786 0.02 . 1 . . . . . . . . 6410 1 1101 . 1 1 91 91 VAL CA C 13 67.810 0.3 . 1 . . . . . . . . 6410 1 1102 . 1 1 91 91 VAL HA H 1 3.298 0.02 . 1 . . . . . . . . 6410 1 1103 . 1 1 91 91 VAL CB C 13 31.490 0.3 . 1 . . . . . . . . 6410 1 1104 . 1 1 91 91 VAL HB H 1 2.081 0.02 . 1 . . . . . . . . 6410 1 1105 . 1 1 91 91 VAL CG2 C 13 23.144 0.3 . 2 . . . . . . . . 6410 1 1106 . 1 1 91 91 VAL HG21 H 1 0.827 0.02 . 2 . . . . . . . . 6410 1 1107 . 1 1 91 91 VAL HG22 H 1 0.827 0.02 . 2 . . . . . . . . 6410 1 1108 . 1 1 91 91 VAL HG23 H 1 0.827 0.02 . 2 . . . . . . . . 6410 1 1109 . 1 1 91 91 VAL CG1 C 13 22.032 0.3 . 2 . . . . . . . . 6410 1 1110 . 1 1 91 91 VAL HG11 H 1 0.815 0.02 . 2 . . . . . . . . 6410 1 1111 . 1 1 91 91 VAL HG12 H 1 0.815 0.02 . 2 . . . . . . . . 6410 1 1112 . 1 1 91 91 VAL HG13 H 1 0.815 0.02 . 2 . . . . . . . . 6410 1 1113 . 1 1 91 91 VAL C C 13 176.934 0.3 . 1 . . . . . . . . 6410 1 1114 . 1 1 92 92 VAL N N 15 119.450 0.2 . 1 . . . . . . . . 6410 1 1115 . 1 1 92 92 VAL H H 1 8.403 0.02 . 1 . . . . . . . . 6410 1 1116 . 1 1 92 92 VAL CA C 13 67.310 0.3 . 1 . . . . . . . . 6410 1 1117 . 1 1 92 92 VAL HA H 1 3.515 0.02 . 1 . . . . . . . . 6410 1 1118 . 1 1 92 92 VAL CB C 13 31.690 0.3 . 1 . . . . . . . . 6410 1 1119 . 1 1 92 92 VAL HB H 1 2.158 0.02 . 1 . . . . . . . . 6410 1 1120 . 1 1 92 92 VAL CG2 C 13 23.105 0.3 . 2 . . . . . . . . 6410 1 1121 . 1 1 92 92 VAL HG21 H 1 1.021 0.02 . 2 . . . . . . . . 6410 1 1122 . 1 1 92 92 VAL HG22 H 1 1.021 0.02 . 2 . . . . . . . . 6410 1 1123 . 1 1 92 92 VAL HG23 H 1 1.021 0.02 . 2 . . . . . . . . 6410 1 1124 . 1 1 92 92 VAL CG1 C 13 21.165 0.3 . 2 . . . . . . . . 6410 1 1125 . 1 1 92 92 VAL HG11 H 1 0.948 0.02 . 2 . . . . . . . . 6410 1 1126 . 1 1 92 92 VAL HG12 H 1 0.948 0.02 . 2 . . . . . . . . 6410 1 1127 . 1 1 92 92 VAL HG13 H 1 0.948 0.02 . 2 . . . . . . . . 6410 1 1128 . 1 1 92 92 VAL C C 13 178.809 0.3 . 1 . . . . . . . . 6410 1 1129 . 1 1 93 93 GLU N N 15 120.670 0.2 . 1 . . . . . . . . 6410 1 1130 . 1 1 93 93 GLU H H 1 8.368 0.02 . 1 . . . . . . . . 6410 1 1131 . 1 1 93 93 GLU CA C 13 59.630 0.3 . 1 . . . . . . . . 6410 1 1132 . 1 1 93 93 GLU HA H 1 4.076 0.02 . 1 . . . . . . . . 6410 1 1133 . 1 1 93 93 GLU CB C 13 29.340 0.3 . 1 . . . . . . . . 6410 1 1134 . 1 1 93 93 GLU HB3 H 1 2.086 0.02 . 2 . . . . . . . . 6410 1 1135 . 1 1 93 93 GLU HB2 H 1 2.147 0.02 . 2 . . . . . . . . 6410 1 1136 . 1 1 93 93 GLU CG C 13 36.654 0.3 . 1 . . . . . . . . 6410 1 1137 . 1 1 93 93 GLU HG3 H 1 2.217 0.02 . 2 . . . . . . . . 6410 1 1138 . 1 1 93 93 GLU HG2 H 1 2.362 0.02 . 2 . . . . . . . . 6410 1 1139 . 1 1 93 93 GLU C C 13 179.155 0.3 . 1 . . . . . . . . 6410 1 1140 . 1 1 94 94 LYS N N 15 116.980 0.2 . 1 . . . . . . . . 6410 1 1141 . 1 1 94 94 LYS H H 1 8.353 0.02 . 1 . . . . . . . . 6410 1 1142 . 1 1 94 94 LYS CA C 13 59.800 0.3 . 1 . . . . . . . . 6410 1 1143 . 1 1 94 94 LYS HA H 1 3.996 0.02 . 1 . . . . . . . . 6410 1 1144 . 1 1 94 94 LYS CB C 13 32.360 0.3 . 1 . . . . . . . . 6410 1 1145 . 1 1 94 94 LYS HB3 H 1 1.425 0.02 . 2 . . . . . . . . 6410 1 1146 . 1 1 94 94 LYS HB2 H 1 2.028 0.02 . 2 . . . . . . . . 6410 1 1147 . 1 1 94 94 LYS CG C 13 25.427 0.3 . 1 . . . . . . . . 6410 1 1148 . 1 1 94 94 LYS HG3 H 1 1.600 0.02 . 1 . . . . . . . . 6410 1 1149 . 1 1 94 94 LYS HG2 H 1 1.600 0.02 . 1 . . . . . . . . 6410 1 1150 . 1 1 94 94 LYS CD C 13 29.367 0.3 . 1 . . . . . . . . 6410 1 1151 . 1 1 94 94 LYS HD3 H 1 1.531 0.02 . 2 . . . . . . . . 6410 1 1152 . 1 1 94 94 LYS HD2 H 1 1.403 0.02 . 2 . . . . . . . . 6410 1 1153 . 1 1 94 94 LYS CE C 13 41.450 0.3 . 1 . . . . . . . . 6410 1 1154 . 1 1 94 94 LYS HE3 H 1 2.851 0.02 . 2 . . . . . . . . 6410 1 1155 . 1 1 94 94 LYS HE2 H 1 2.820 0.02 . 2 . . . . . . . . 6410 1 1156 . 1 1 94 94 LYS C C 13 179.540 0.3 . 1 . . . . . . . . 6410 1 1157 . 1 1 95 95 HIS N N 15 120.400 0.2 . 1 . . . . . . . . 6410 1 1158 . 1 1 95 95 HIS H H 1 8.404 0.02 . 1 . . . . . . . . 6410 1 1159 . 1 1 95 95 HIS CA C 13 59.410 0.3 . 1 . . . . . . . . 6410 1 1160 . 1 1 95 95 HIS HA H 1 4.764 0.02 . 1 . . . . . . . . 6410 1 1161 . 1 1 95 95 HIS CB C 13 31.110 0.3 . 1 . . . . . . . . 6410 1 1162 . 1 1 95 95 HIS HB3 H 1 3.403 0.02 . 2 . . . . . . . . 6410 1 1163 . 1 1 95 95 HIS HB2 H 1 3.029 0.02 . 2 . . . . . . . . 6410 1 1164 . 1 1 95 95 HIS CD2 C 13 117.500 0.3 . 1 . . . . . . . . 6410 1 1165 . 1 1 95 95 HIS HD2 H 1 6.961 0.02 . 1 . . . . . . . . 6410 1 1166 . 1 1 95 95 HIS CE1 C 13 139.033 0.3 . 1 . . . . . . . . 6410 1 1167 . 1 1 95 95 HIS HE1 H 1 7.630 0.02 . 1 . . . . . . . . 6410 1 1168 . 1 1 95 95 HIS C C 13 179.634 0.3 . 1 . . . . . . . . 6410 1 1169 . 1 1 96 96 GLN N N 15 121.640 0.2 . 1 . . . . . . . . 6410 1 1170 . 1 1 96 96 GLN H H 1 8.588 0.02 . 1 . . . . . . . . 6410 1 1171 . 1 1 96 96 GLN CA C 13 58.860 0.3 . 1 . . . . . . . . 6410 1 1172 . 1 1 96 96 GLN HA H 1 3.893 0.02 . 1 . . . . . . . . 6410 1 1173 . 1 1 96 96 GLN CB C 13 28.090 0.3 . 1 . . . . . . . . 6410 1 1174 . 1 1 96 96 GLN HB3 H 1 2.170 0.02 . 2 . . . . . . . . 6410 1 1175 . 1 1 96 96 GLN HB2 H 1 2.317 0.02 . 2 . . . . . . . . 6410 1 1176 . 1 1 96 96 GLN CG C 13 34.092 0.3 . 1 . . . . . . . . 6410 1 1177 . 1 1 96 96 GLN HG3 H 1 2.612 0.02 . 2 . . . . . . . . 6410 1 1178 . 1 1 96 96 GLN HG2 H 1 2.467 0.02 . 2 . . . . . . . . 6410 1 1179 . 1 1 96 96 GLN CD C 13 178.543 0.3 . 1 . . . . . . . . 6410 1 1180 . 1 1 96 96 GLN NE2 N 15 111.222 0.2 . 1 . . . . . . . . 6410 1 1181 . 1 1 96 96 GLN HE21 H 1 6.830 0.02 . 2 . . . . . . . . 6410 1 1182 . 1 1 96 96 GLN HE22 H 1 7.450 0.02 . 2 . . . . . . . . 6410 1 1183 . 1 1 96 96 GLN C C 13 177.791 0.3 . 1 . . . . . . . . 6410 1 1184 . 1 1 97 97 ARG N N 15 115.820 0.2 . 1 . . . . . . . . 6410 1 1185 . 1 1 97 97 ARG H H 1 7.485 0.02 . 1 . . . . . . . . 6410 1 1186 . 1 1 97 97 ARG CA C 13 56.220 0.3 . 1 . . . . . . . . 6410 1 1187 . 1 1 97 97 ARG HA H 1 4.324 0.02 . 1 . . . . . . . . 6410 1 1188 . 1 1 97 97 ARG CB C 13 30.800 0.3 . 1 . . . . . . . . 6410 1 1189 . 1 1 97 97 ARG HB3 H 1 1.639 0.02 . 2 . . . . . . . . 6410 1 1190 . 1 1 97 97 ARG HB2 H 1 2.126 0.02 . 2 . . . . . . . . 6410 1 1191 . 1 1 97 97 ARG CG C 13 27.810 0.3 . 1 . . . . . . . . 6410 1 1192 . 1 1 97 97 ARG HG3 H 1 1.808 0.02 . 2 . . . . . . . . 6410 1 1193 . 1 1 97 97 ARG HG2 H 1 1.600 0.02 . 2 . . . . . . . . 6410 1 1194 . 1 1 97 97 ARG CD C 13 43.740 0.3 . 1 . . . . . . . . 6410 1 1195 . 1 1 97 97 ARG HD3 H 1 3.146 0.02 . 1 . . . . . . . . 6410 1 1196 . 1 1 97 97 ARG HD2 H 1 3.146 0.02 . 1 . . . . . . . . 6410 1 1197 . 1 1 97 97 ARG NE N 15 84.742 0.2 . 1 . . . . . . . . 6410 1 1198 . 1 1 97 97 ARG HE H 1 7.565 0.02 . 1 . . . . . . . . 6410 1 1199 . 1 1 97 97 ARG C C 13 175.209 0.3 . 1 . . . . . . . . 6410 1 1200 . 1 1 98 98 ASN N N 15 114.680 0.2 . 1 . . . . . . . . 6410 1 1201 . 1 1 98 98 ASN H H 1 8.186 0.02 . 1 . . . . . . . . 6410 1 1202 . 1 1 98 98 ASN CA C 13 54.970 0.3 . 1 . . . . . . . . 6410 1 1203 . 1 1 98 98 ASN HA H 1 4.657 0.02 . 1 . . . . . . . . 6410 1 1204 . 1 1 98 98 ASN CB C 13 36.650 0.3 . 1 . . . . . . . . 6410 1 1205 . 1 1 98 98 ASN HB3 H 1 2.951 0.02 . 2 . . . . . . . . 6410 1 1206 . 1 1 98 98 ASN HB2 H 1 3.098 0.02 . 2 . . . . . . . . 6410 1 1207 . 1 1 98 98 ASN CG C 13 178.785 0.3 . 1 . . . . . . . . 6410 1 1208 . 1 1 98 98 ASN ND2 N 15 113.910 0.2 . 1 . . . . . . . . 6410 1 1209 . 1 1 98 98 ASN HD21 H 1 7.646 0.02 . 2 . . . . . . . . 6410 1 1210 . 1 1 98 98 ASN HD22 H 1 6.900 0.02 . 2 . . . . . . . . 6410 1 1211 . 1 1 98 98 ASN C C 13 174.922 0.3 . 1 . . . . . . . . 6410 1 1212 . 1 1 99 99 GLU N N 15 112.980 0.2 . 1 . . . . . . . . 6410 1 1213 . 1 1 99 99 GLU H H 1 8.613 0.02 . 1 . . . . . . . . 6410 1 1214 . 1 1 99 99 GLU CA C 13 55.860 0.3 . 1 . . . . . . . . 6410 1 1215 . 1 1 99 99 GLU HA H 1 4.355 0.02 . 1 . . . . . . . . 6410 1 1216 . 1 1 99 99 GLU CB C 13 32.060 0.3 . 1 . . . . . . . . 6410 1 1217 . 1 1 99 99 GLU HB3 H 1 1.873 0.02 . 2 . . . . . . . . 6410 1 1218 . 1 1 99 99 GLU HB2 H 1 2.152 0.02 . 2 . . . . . . . . 6410 1 1219 . 1 1 99 99 GLU CG C 13 36.093 0.3 . 1 . . . . . . . . 6410 1 1220 . 1 1 99 99 GLU HG3 H 1 2.283 0.02 . 1 . . . . . . . . 6410 1 1221 . 1 1 99 99 GLU HG2 H 1 2.283 0.02 . 1 . . . . . . . . 6410 1 1222 . 1 1 99 99 GLU C C 13 177.386 0.3 . 1 . . . . . . . . 6410 1 1223 . 1 1 100 100 LEU N N 15 123.190 0.2 . 1 . . . . . . . . 6410 1 1224 . 1 1 100 100 LEU H H 1 7.902 0.02 . 1 . . . . . . . . 6410 1 1225 . 1 1 100 100 LEU CA C 13 57.210 0.3 . 1 . . . . . . . . 6410 1 1226 . 1 1 100 100 LEU HA H 1 4.257 0.02 . 1 . . . . . . . . 6410 1 1227 . 1 1 100 100 LEU CB C 13 42.640 0.3 . 1 . . . . . . . . 6410 1 1228 . 1 1 100 100 LEU HB3 H 1 1.215 0.02 . 2 . . . . . . . . 6410 1 1229 . 1 1 100 100 LEU HB2 H 1 2.231 0.02 . 2 . . . . . . . . 6410 1 1230 . 1 1 100 100 LEU CG C 13 27.024 0.3 . 1 . . . . . . . . 6410 1 1231 . 1 1 100 100 LEU HG H 1 1.493 0.02 . 1 . . . . . . . . 6410 1 1232 . 1 1 100 100 LEU CD1 C 13 22.853 0.3 . 2 . . . . . . . . 6410 1 1233 . 1 1 100 100 LEU HD11 H 1 0.825 0.02 . 2 . . . . . . . . 6410 1 1234 . 1 1 100 100 LEU HD12 H 1 0.825 0.02 . 2 . . . . . . . . 6410 1 1235 . 1 1 100 100 LEU HD13 H 1 0.825 0.02 . 2 . . . . . . . . 6410 1 1236 . 1 1 100 100 LEU CD2 C 13 26.151 0.3 . 2 . . . . . . . . 6410 1 1237 . 1 1 100 100 LEU HD21 H 1 0.763 0.02 . 2 . . . . . . . . 6410 1 1238 . 1 1 100 100 LEU HD22 H 1 0.763 0.02 . 2 . . . . . . . . 6410 1 1239 . 1 1 100 100 LEU HD23 H 1 0.763 0.02 . 2 . . . . . . . . 6410 1 1240 . 1 1 100 100 LEU C C 13 177.437 0.3 . 1 . . . . . . . . 6410 1 1241 . 1 1 101 101 LEU N N 15 121.530 0.2 . 1 . . . . . . . . 6410 1 1242 . 1 1 101 101 LEU H H 1 9.737 0.02 . 1 . . . . . . . . 6410 1 1243 . 1 1 101 101 LEU CA C 13 60.020 0.3 . 1 . . . . . . . . 6410 1 1244 . 1 1 101 101 LEU HA H 1 4.149 0.02 . 1 . . . . . . . . 6410 1 1245 . 1 1 101 101 LEU CB C 13 38.840 0.3 . 1 . . . . . . . . 6410 1 1246 . 1 1 101 101 LEU HB3 H 1 1.780 0.02 . 1 . . . . . . . . 6410 1 1247 . 1 1 101 101 LEU HB2 H 1 1.780 0.02 . 1 . . . . . . . . 6410 1 1248 . 1 1 101 101 LEU CG C 13 28.190 0.3 . 1 . . . . . . . . 6410 1 1249 . 1 1 101 101 LEU HG H 1 1.780 0.02 . 1 . . . . . . . . 6410 1 1250 . 1 1 101 101 LEU CD1 C 13 24.280 0.3 . 1 . . . . . . . . 6410 1 1251 . 1 1 101 101 LEU HD11 H 1 0.992 0.02 . 2 . . . . . . . . 6410 1 1252 . 1 1 101 101 LEU HD12 H 1 0.992 0.02 . 2 . . . . . . . . 6410 1 1253 . 1 1 101 101 LEU HD13 H 1 0.992 0.02 . 2 . . . . . . . . 6410 1 1254 . 1 1 101 101 LEU CD2 C 13 24.280 0.3 . 1 . . . . . . . . 6410 1 1255 . 1 1 101 101 LEU HD21 H 1 1.072 0.02 . 2 . . . . . . . . 6410 1 1256 . 1 1 101 101 LEU HD22 H 1 1.072 0.02 . 2 . . . . . . . . 6410 1 1257 . 1 1 101 101 LEU HD23 H 1 1.072 0.02 . 2 . . . . . . . . 6410 1 1258 . 1 1 101 101 LEU C C 13 176.237 0.3 . 1 . . . . . . . . 6410 1 1259 . 1 1 102 102 PRO CA C 13 66.447 0.3 . 1 . . . . . . . . 6410 1 1260 . 1 1 102 102 PRO HA H 1 4.319 0.02 . 1 . . . . . . . . 6410 1 1261 . 1 1 102 102 PRO CB C 13 31.190 0.3 . 1 . . . . . . . . 6410 1 1262 . 1 1 102 102 PRO HB3 H 1 1.790 0.02 . 2 . . . . . . . . 6410 1 1263 . 1 1 102 102 PRO HB2 H 1 2.395 0.02 . 2 . . . . . . . . 6410 1 1264 . 1 1 102 102 PRO CG C 13 28.233 0.3 . 1 . . . . . . . . 6410 1 1265 . 1 1 102 102 PRO HG3 H 1 2.143 0.02 . 2 . . . . . . . . 6410 1 1266 . 1 1 102 102 PRO HG2 H 1 1.984 0.02 . 2 . . . . . . . . 6410 1 1267 . 1 1 102 102 PRO CD C 13 50.021 0.3 . 1 . . . . . . . . 6410 1 1268 . 1 1 102 102 PRO HD3 H 1 3.562 0.02 . 2 . . . . . . . . 6410 1 1269 . 1 1 102 102 PRO HD2 H 1 3.267 0.02 . 2 . . . . . . . . 6410 1 1270 . 1 1 102 102 PRO C C 13 179.147 0.3 . 1 . . . . . . . . 6410 1 1271 . 1 1 103 103 LEU N N 15 115.440 0.2 . 1 . . . . . . . . 6410 1 1272 . 1 1 103 103 LEU H H 1 6.824 0.02 . 1 . . . . . . . . 6410 1 1273 . 1 1 103 103 LEU CA C 13 57.650 0.3 . 1 . . . . . . . . 6410 1 1274 . 1 1 103 103 LEU HA H 1 4.173 0.02 . 1 . . . . . . . . 6410 1 1275 . 1 1 103 103 LEU CB C 13 42.430 0.3 . 1 . . . . . . . . 6410 1 1276 . 1 1 103 103 LEU HB3 H 1 1.495 0.02 . 2 . . . . . . . . 6410 1 1277 . 1 1 103 103 LEU HB2 H 1 2.123 0.02 . 2 . . . . . . . . 6410 1 1278 . 1 1 103 103 LEU CG C 13 26.530 0.3 . 1 . . . . . . . . 6410 1 1279 . 1 1 103 103 LEU HG H 1 1.955 0.02 . 1 . . . . . . . . 6410 1 1280 . 1 1 103 103 LEU CD1 C 13 22.845 0.3 . 2 . . . . . . . . 6410 1 1281 . 1 1 103 103 LEU HD11 H 1 0.911 0.02 . 2 . . . . . . . . 6410 1 1282 . 1 1 103 103 LEU HD12 H 1 0.911 0.02 . 2 . . . . . . . . 6410 1 1283 . 1 1 103 103 LEU HD13 H 1 0.911 0.02 . 2 . . . . . . . . 6410 1 1284 . 1 1 103 103 LEU CD2 C 13 25.697 0.3 . 2 . . . . . . . . 6410 1 1285 . 1 1 103 103 LEU HD21 H 1 0.927 0.02 . 2 . . . . . . . . 6410 1 1286 . 1 1 103 103 LEU HD22 H 1 0.927 0.02 . 2 . . . . . . . . 6410 1 1287 . 1 1 103 103 LEU HD23 H 1 0.927 0.02 . 2 . . . . . . . . 6410 1 1288 . 1 1 103 103 LEU C C 13 180.444 0.3 . 1 . . . . . . . . 6410 1 1289 . 1 1 104 104 LEU N N 15 119.250 0.2 . 1 . . . . . . . . 6410 1 1290 . 1 1 104 104 LEU H H 1 7.984 0.02 . 1 . . . . . . . . 6410 1 1291 . 1 1 104 104 LEU CA C 13 57.610 0.3 . 1 . . . . . . . . 6410 1 1292 . 1 1 104 104 LEU HA H 1 3.887 0.02 . 1 . . . . . . . . 6410 1 1293 . 1 1 104 104 LEU CB C 13 41.660 0.3 . 1 . . . . . . . . 6410 1 1294 . 1 1 104 104 LEU HB3 H 1 1.426 0.02 . 2 . . . . . . . . 6410 1 1295 . 1 1 104 104 LEU HB2 H 1 2.148 0.02 . 2 . . . . . . . . 6410 1 1296 . 1 1 104 104 LEU CG C 13 26.682 0.3 . 1 . . . . . . . . 6410 1 1297 . 1 1 104 104 LEU HG H 1 0.723 0.02 . 1 . . . . . . . . 6410 1 1298 . 1 1 104 104 LEU CD1 C 13 24.248 0.3 . 2 . . . . . . . . 6410 1 1299 . 1 1 104 104 LEU HD11 H 1 0.723 0.02 . 2 . . . . . . . . 6410 1 1300 . 1 1 104 104 LEU HD12 H 1 0.723 0.02 . 2 . . . . . . . . 6410 1 1301 . 1 1 104 104 LEU HD13 H 1 0.723 0.02 . 2 . . . . . . . . 6410 1 1302 . 1 1 104 104 LEU CD2 C 13 26.450 0.3 . 1 . . . . . . . . 6410 1 1303 . 1 1 104 104 LEU HD21 H 1 1.781 0.02 . 2 . . . . . . . . 6410 1 1304 . 1 1 104 104 LEU HD22 H 1 1.781 0.02 . 2 . . . . . . . . 6410 1 1305 . 1 1 104 104 LEU HD23 H 1 1.781 0.02 . 2 . . . . . . . . 6410 1 1306 . 1 1 104 104 LEU C C 13 179.353 0.3 . 1 . . . . . . . . 6410 1 1307 . 1 1 105 105 GLN N N 15 119.710 0.2 . 1 . . . . . . . . 6410 1 1308 . 1 1 105 105 GLN H H 1 8.727 0.02 . 1 . . . . . . . . 6410 1 1309 . 1 1 105 105 GLN CA C 13 58.680 0.3 . 1 . . . . . . . . 6410 1 1310 . 1 1 105 105 GLN HA H 1 4.106 0.02 . 1 . . . . . . . . 6410 1 1311 . 1 1 105 105 GLN CB C 13 28.160 0.3 . 1 . . . . . . . . 6410 1 1312 . 1 1 105 105 GLN HB3 H 1 2.061 0.02 . 2 . . . . . . . . 6410 1 1313 . 1 1 105 105 GLN HB2 H 1 2.178 0.02 . 2 . . . . . . . . 6410 1 1314 . 1 1 105 105 GLN CG C 13 34.214 0.3 . 1 . . . . . . . . 6410 1 1315 . 1 1 105 105 GLN HG3 H 1 2.458 0.02 . 2 . . . . . . . . 6410 1 1316 . 1 1 105 105 GLN HG2 H 1 2.391 0.02 . 2 . . . . . . . . 6410 1 1317 . 1 1 105 105 GLN CD C 13 179.958 0.3 . 1 . . . . . . . . 6410 1 1318 . 1 1 105 105 GLN NE2 N 15 111.104 0.2 . 1 . . . . . . . . 6410 1 1319 . 1 1 105 105 GLN HE21 H 1 7.527 0.02 . 2 . . . . . . . . 6410 1 1320 . 1 1 105 105 GLN HE22 H 1 6.864 0.02 . 2 . . . . . . . . 6410 1 1321 . 1 1 105 105 GLN C C 13 179.727 0.3 . 1 . . . . . . . . 6410 1 1322 . 1 1 106 106 ASP N N 15 120.860 0.2 . 1 . . . . . . . . 6410 1 1323 . 1 1 106 106 ASP H H 1 8.118 0.02 . 1 . . . . . . . . 6410 1 1324 . 1 1 106 106 ASP CA C 13 57.040 0.3 . 1 . . . . . . . . 6410 1 1325 . 1 1 106 106 ASP HA H 1 4.488 0.02 . 1 . . . . . . . . 6410 1 1326 . 1 1 106 106 ASP CB C 13 40.920 0.3 . 1 . . . . . . . . 6410 1 1327 . 1 1 106 106 ASP HB3 H 1 2.713 0.02 . 2 . . . . . . . . 6410 1 1328 . 1 1 106 106 ASP HB2 H 1 2.779 0.02 . 2 . . . . . . . . 6410 1 1329 . 1 1 106 106 ASP C C 13 177.696 0.3 . 1 . . . . . . . . 6410 1 1330 . 1 1 107 107 ALA N N 15 120.130 0.2 . 1 . . . . . . . . 6410 1 1331 . 1 1 107 107 ALA H H 1 7.543 0.02 . 1 . . . . . . . . 6410 1 1332 . 1 1 107 107 ALA CA C 13 53.280 0.3 . 1 . . . . . . . . 6410 1 1333 . 1 1 107 107 ALA HA H 1 4.338 0.02 . 1 . . . . . . . . 6410 1 1334 . 1 1 107 107 ALA CB C 13 19.090 0.3 . 1 . . . . . . . . 6410 1 1335 . 1 1 107 107 ALA HB1 H 1 1.494 0.02 . 1 . . . . . . . . 6410 1 1336 . 1 1 107 107 ALA HB2 H 1 1.494 0.02 . 1 . . . . . . . . 6410 1 1337 . 1 1 107 107 ALA HB3 H 1 1.494 0.02 . 1 . . . . . . . . 6410 1 1338 . 1 1 107 107 ALA C C 13 177.677 0.3 . 1 . . . . . . . . 6410 1 1339 . 1 1 108 108 ALA N N 15 118.830 0.2 . 1 . . . . . . . . 6410 1 1340 . 1 1 108 108 ALA H H 1 7.928 0.02 . 1 . . . . . . . . 6410 1 1341 . 1 1 108 108 ALA CA C 13 53.490 0.3 . 1 . . . . . . . . 6410 1 1342 . 1 1 108 108 ALA HA H 1 4.221 0.02 . 1 . . . . . . . . 6410 1 1343 . 1 1 108 108 ALA CB C 13 17.590 0.3 . 1 . . . . . . . . 6410 1 1344 . 1 1 108 108 ALA HB1 H 1 1.532 0.02 . 1 . . . . . . . . 6410 1 1345 . 1 1 108 108 ALA HB2 H 1 1.532 0.02 . 1 . . . . . . . . 6410 1 1346 . 1 1 108 108 ALA HB3 H 1 1.532 0.02 . 1 . . . . . . . . 6410 1 1347 . 1 1 108 108 ALA C C 13 178.150 0.3 . 1 . . . . . . . . 6410 1 1348 . 1 1 109 109 ALA N N 15 119.390 0.2 . 1 . . . . . . . . 6410 1 1349 . 1 1 109 109 ALA H H 1 8.090 0.02 . 1 . . . . . . . . 6410 1 1350 . 1 1 109 109 ALA CA C 13 53.320 0.3 . 1 . . . . . . . . 6410 1 1351 . 1 1 109 109 ALA HA H 1 4.392 0.02 . 1 . . . . . . . . 6410 1 1352 . 1 1 109 109 ALA CB C 13 20.150 0.3 . 1 . . . . . . . . 6410 1 1353 . 1 1 109 109 ALA HB1 H 1 1.544 0.02 . 1 . . . . . . . . 6410 1 1354 . 1 1 109 109 ALA HB2 H 1 1.544 0.02 . 1 . . . . . . . . 6410 1 1355 . 1 1 109 109 ALA HB3 H 1 1.544 0.02 . 1 . . . . . . . . 6410 1 1356 . 1 1 109 109 ALA C C 13 178.203 0.3 . 1 . . . . . . . . 6410 1 1357 . 1 1 110 110 THR N N 15 109.440 0.2 . 1 . . . . . . . . 6410 1 1358 . 1 1 110 110 THR H H 1 7.696 0.02 . 1 . . . . . . . . 6410 1 1359 . 1 1 110 110 THR CA C 13 61.460 0.3 . 1 . . . . . . . . 6410 1 1360 . 1 1 110 110 THR HA H 1 4.423 0.02 . 1 . . . . . . . . 6410 1 1361 . 1 1 110 110 THR CB C 13 69.800 0.3 . 1 . . . . . . . . 6410 1 1362 . 1 1 110 110 THR HB H 1 4.319 0.02 . 1 . . . . . . . . 6410 1 1363 . 1 1 110 110 THR CG2 C 13 21.751 0.3 . 1 . . . . . . . . 6410 1 1364 . 1 1 110 110 THR HG21 H 1 1.129 0.02 . 1 . . . . . . . . 6410 1 1365 . 1 1 110 110 THR HG22 H 1 1.129 0.02 . 1 . . . . . . . . 6410 1 1366 . 1 1 110 110 THR HG23 H 1 1.129 0.02 . 1 . . . . . . . . 6410 1 1367 . 1 1 110 110 THR C C 13 174.462 0.3 . 1 . . . . . . . . 6410 1 1368 . 1 1 111 111 ALA N N 15 124.960 0.2 . 1 . . . . . . . . 6410 1 1369 . 1 1 111 111 ALA H H 1 8.026 0.02 . 1 . . . . . . . . 6410 1 1370 . 1 1 111 111 ALA CA C 13 52.670 0.3 . 1 . . . . . . . . 6410 1 1371 . 1 1 111 111 ALA HA H 1 4.302 0.02 . 1 . . . . . . . . 6410 1 1372 . 1 1 111 111 ALA CB C 13 19.310 0.3 . 1 . . . . . . . . 6410 1 1373 . 1 1 111 111 ALA HB1 H 1 1.412 0.02 . 1 . . . . . . . . 6410 1 1374 . 1 1 111 111 ALA HB2 H 1 1.412 0.02 . 1 . . . . . . . . 6410 1 1375 . 1 1 111 111 ALA HB3 H 1 1.412 0.02 . 1 . . . . . . . . 6410 1 1376 . 1 1 111 111 ALA C C 13 177.702 0.3 . 1 . . . . . . . . 6410 1 1377 . 1 1 112 112 LYS N N 15 120.450 0.2 . 1 . . . . . . . . 6410 1 1378 . 1 1 112 112 LYS H H 1 8.253 0.02 . 1 . . . . . . . . 6410 1 1379 . 1 1 112 112 LYS CA C 13 56.330 0.3 . 1 . . . . . . . . 6410 1 1380 . 1 1 112 112 LYS HA H 1 4.272 0.02 . 1 . . . . . . . . 6410 1 1381 . 1 1 112 112 LYS CB C 13 33.120 0.3 . 1 . . . . . . . . 6410 1 1382 . 1 1 112 112 LYS HB3 H 1 1.750 0.02 . 2 . . . . . . . . 6410 1 1383 . 1 1 112 112 LYS HB2 H 1 1.800 0.02 . 2 . . . . . . . . 6410 1 1384 . 1 1 112 112 LYS CG C 13 24.750 0.3 . 1 . . . . . . . . 6410 1 1385 . 1 1 112 112 LYS HG3 H 1 1.439 0.02 . 1 . . . . . . . . 6410 1 1386 . 1 1 112 112 LYS HG2 H 1 1.439 0.02 . 1 . . . . . . . . 6410 1 1387 . 1 1 112 112 LYS CD C 13 29.213 0.3 . 1 . . . . . . . . 6410 1 1388 . 1 1 112 112 LYS HD3 H 1 1.687 0.02 . 1 . . . . . . . . 6410 1 1389 . 1 1 112 112 LYS HD2 H 1 1.687 0.02 . 1 . . . . . . . . 6410 1 1390 . 1 1 112 112 LYS CE C 13 42.148 0.3 . 1 . . . . . . . . 6410 1 1391 . 1 1 112 112 LYS HE3 H 1 3.001 0.02 . 1 . . . . . . . . 6410 1 1392 . 1 1 112 112 LYS HE2 H 1 3.001 0.02 . 1 . . . . . . . . 6410 1 1393 . 1 1 112 112 LYS C C 13 176.153 0.3 . 1 . . . . . . . . 6410 1 1394 . 1 1 113 113 ASN N N 15 121.043 0.2 . 1 . . . . . . . . 6410 1 1395 . 1 1 113 113 ASN H H 1 8.454 0.02 . 1 . . . . . . . . 6410 1 1396 . 1 1 113 113 ASN CA C 13 51.368 0.3 . 1 . . . . . . . . 6410 1 1397 . 1 1 113 113 ASN HA H 1 4.956 0.02 . 1 . . . . . . . . 6410 1 1398 . 1 1 113 113 ASN CB C 13 38.858 0.3 . 1 . . . . . . . . 6410 1 1399 . 1 1 113 113 ASN HB3 H 1 2.846 0.02 . 2 . . . . . . . . 6410 1 1400 . 1 1 113 113 ASN HB2 H 1 2.722 0.02 . 2 . . . . . . . . 6410 1 1401 . 1 1 113 113 ASN CG C 13 177.017 0.3 . 1 . . . . . . . . 6410 1 1402 . 1 1 113 113 ASN ND2 N 15 113.150 0.2 . 1 . . . . . . . . 6410 1 1403 . 1 1 113 113 ASN HD21 H 1 7.692 0.02 . 2 . . . . . . . . 6410 1 1404 . 1 1 113 113 ASN HD22 H 1 7.030 0.02 . 2 . . . . . . . . 6410 1 1405 . 1 1 114 114 PRO CA C 13 63.572 0.3 . 1 . . . . . . . . 6410 1 1406 . 1 1 114 114 PRO HA H 1 4.395 0.02 . 1 . . . . . . . . 6410 1 1407 . 1 1 114 114 PRO CB C 13 32.190 0.3 . 1 . . . . . . . . 6410 1 1408 . 1 1 114 114 PRO HB3 H 1 2.307 0.02 . 2 . . . . . . . . 6410 1 1409 . 1 1 114 114 PRO HB2 H 1 1.970 0.02 . 2 . . . . . . . . 6410 1 1410 . 1 1 114 114 PRO CG C 13 27.371 0.3 . 1 . . . . . . . . 6410 1 1411 . 1 1 114 114 PRO HG3 H 1 2.024 0.02 . 1 . . . . . . . . 6410 1 1412 . 1 1 114 114 PRO HG2 H 1 2.024 0.02 . 1 . . . . . . . . 6410 1 1413 . 1 1 114 114 PRO CD C 13 50.758 0.3 . 1 . . . . . . . . 6410 1 1414 . 1 1 114 114 PRO HD3 H 1 3.822 0.02 . 2 . . . . . . . . 6410 1 1415 . 1 1 114 114 PRO HD2 H 1 3.745 0.02 . 2 . . . . . . . . 6410 1 1416 . 1 1 114 114 PRO C C 13 176.697 0.3 . 1 . . . . . . . . 6410 1 1417 . 1 1 115 115 ALA N N 15 123.017 0.2 . 1 . . . . . . . . 6410 1 1418 . 1 1 115 115 ALA H H 1 8.297 0.02 . 1 . . . . . . . . 6410 1 1419 . 1 1 115 115 ALA CA C 13 52.497 0.3 . 1 . . . . . . . . 6410 1 1420 . 1 1 115 115 ALA HA H 1 4.289 0.02 . 1 . . . . . . . . 6410 1 1421 . 1 1 115 115 ALA CB C 13 19.116 0.3 . 1 . . . . . . . . 6410 1 1422 . 1 1 115 115 ALA HB1 H 1 1.384 0.02 . 1 . . . . . . . . 6410 1 1423 . 1 1 115 115 ALA HB2 H 1 1.384 0.02 . 1 . . . . . . . . 6410 1 1424 . 1 1 115 115 ALA HB3 H 1 1.384 0.02 . 1 . . . . . . . . 6410 1 1425 . 1 1 115 115 ALA C C 13 177.539 0.3 . 1 . . . . . . . . 6410 1 1426 . 1 1 116 116 GLN N N 15 119.890 0.2 . 1 . . . . . . . . 6410 1 1427 . 1 1 116 116 GLN H H 1 8.185 0.02 . 1 . . . . . . . . 6410 1 1428 . 1 1 116 116 GLN CA C 13 55.680 0.3 . 1 . . . . . . . . 6410 1 1429 . 1 1 116 116 GLN HA H 1 4.325 0.02 . 1 . . . . . . . . 6410 1 1430 . 1 1 116 116 GLN CB C 13 29.670 0.3 . 1 . . . . . . . . 6410 1 1431 . 1 1 116 116 GLN HB3 H 1 1.993 0.02 . 2 . . . . . . . . 6410 1 1432 . 1 1 116 116 GLN HB2 H 1 2.132 0.02 . 2 . . . . . . . . 6410 1 1433 . 1 1 116 116 GLN CG C 13 33.861 0.3 . 1 . . . . . . . . 6410 1 1434 . 1 1 116 116 GLN HG3 H 1 2.361 0.02 . 1 . . . . . . . . 6410 1 1435 . 1 1 116 116 GLN HG2 H 1 2.361 0.02 . 1 . . . . . . . . 6410 1 1436 . 1 1 116 116 GLN CD C 13 175.393 0.3 . 1 . . . . . . . . 6410 1 1437 . 1 1 116 116 GLN NE2 N 15 113.090 0.2 . 1 . . . . . . . . 6410 1 1438 . 1 1 116 116 GLN HE21 H 1 6.894 0.02 . 2 . . . . . . . . 6410 1 1439 . 1 1 116 116 GLN HE22 H 1 7.679 0.02 . 2 . . . . . . . . 6410 1 1440 . 1 1 116 116 GLN C C 13 174.848 0.3 . 1 . . . . . . . . 6410 1 1441 . 1 1 117 117 LEU N N 15 130.180 0.2 . 1 . . . . . . . . 6410 1 1442 . 1 1 117 117 LEU H H 1 7.951 0.02 . 1 . . . . . . . . 6410 1 1443 . 1 1 117 117 LEU CA C 13 56.780 0.3 . 1 . . . . . . . . 6410 1 1444 . 1 1 117 117 LEU HA H 1 4.180 0.02 . 1 . . . . . . . . 6410 1 1445 . 1 1 117 117 LEU CB C 13 43.280 0.3 . 1 . . . . . . . . 6410 1 1446 . 1 1 117 117 LEU HB3 H 1 1.590 0.02 . 1 . . . . . . . . 6410 1 1447 . 1 1 117 117 LEU HB2 H 1 1.590 0.02 . 1 . . . . . . . . 6410 1 1448 . 1 1 117 117 LEU CG C 13 27.340 0.3 . 1 . . . . . . . . 6410 1 1449 . 1 1 117 117 LEU HG H 1 1.592 0.02 . 1 . . . . . . . . 6410 1 1450 . 1 1 117 117 LEU CD1 C 13 25.229 0.3 . 2 . . . . . . . . 6410 1 1451 . 1 1 117 117 LEU HD11 H 1 0.904 0.02 . 2 . . . . . . . . 6410 1 1452 . 1 1 117 117 LEU HD12 H 1 0.904 0.02 . 2 . . . . . . . . 6410 1 1453 . 1 1 117 117 LEU HD13 H 1 0.904 0.02 . 2 . . . . . . . . 6410 1 1454 . 1 1 117 117 LEU CD2 C 13 23.547 0.3 . 2 . . . . . . . . 6410 1 1455 . 1 1 117 117 LEU HD21 H 1 0.856 0.02 . 2 . . . . . . . . 6410 1 1456 . 1 1 117 117 LEU HD22 H 1 0.856 0.02 . 2 . . . . . . . . 6410 1 1457 . 1 1 117 117 LEU HD23 H 1 0.856 0.02 . 2 . . . . . . . . 6410 1 1458 . 1 1 117 117 LEU C C 13 170.565 0.3 . 1 . . . . . . . . 6410 1 stop_ save_