data_17300 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17300 _Entry.Title ; 1H, 13C and 15N Chemical shift assignments of the thioredoxin from the anaerobic bacteria Desulfovibrio vulgaris Hildenborough ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-16 _Entry.Accession_date 2010-11-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Edwige Garcin . B. . 17300 2 Olivier Bornet . . . 17300 3 Corinne Sebban-Kreuzer . . . 17300 4 Francoise Guerlesquin . . . 17300 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . CNRS . 17300 2 . 'Universite de Provence' . 17300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 473 17300 '15N chemical shifts' 110 17300 '1H chemical shifts' 766 17300 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-13 2010-11-16 update BMRB 'update entry citation' 17300 1 . . 2011-02-04 2010-11-16 original author 'original release' 17300 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17299 'oxidized thioredoxin' 17300 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17300 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21287302 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N chemical shift assignments of the thioredoxin from the obligate anaerobe Desulfovibrio vulgaris Hildenborough.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 177 _Citation.Page_last 179 _Citation.Year 2011 _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 Edwige Garcin . B. . 17300 1 2 Olivier Bornet . . . 17300 1 3 Laetitia Pieulle . . . 17300 1 4 Francoise Guerlesquin . . . 17300 1 5 Corinne Sebban-Kreuzer . . . 17300 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17300 _Assembly.ID 1 _Assembly.Name thioredoxin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 thioredoxin 1 $Thioredoxin A . yes native no no . . . 17300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Thioredoxin _Entity.Sf_category entity _Entity.Sf_framecode Thioredoxin _Entity.Entry_ID 17300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Thioredoxin _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 ; HHHHHHMAAQITDATFEASV LKSAIPVLIDFWAPWCGPCR AMGPVIDELAAEYEGKVLIV KMNVDDNPATPSKYGIRAIP TLILFKNGEVVEQVTGAVSK SSIKDMIAQKALG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17299 . Thioredoxin . . . . . 100.00 113 100.00 100.00 1.23e-76 . . . . 17300 1 2 no GB AAS96315 . "thioredoxin [Desulfovibrio vulgaris str. Hildenborough]" . . . . . 94.69 107 100.00 100.00 4.85e-71 . . . . 17300 1 3 no GB ABM28341 . "thioredoxin [Desulfovibrio vulgaris DP4]" . . . . . 94.69 107 100.00 100.00 4.85e-71 . . . . 17300 1 4 no GB ADP86621 . "thioredoxin [Desulfovibrio vulgaris RCH1]" . . . . . 94.69 107 100.00 100.00 4.85e-71 . . . . 17300 1 5 no REF WP_010939125 . "thioredoxin [Desulfovibrio vulgaris]" . . . . . 94.69 107 100.00 100.00 4.85e-71 . . . . 17300 1 6 no REF YP_011056 . "thioredoxin [Desulfovibrio vulgaris str. Hildenborough]" . . . . . 94.69 107 100.00 100.00 4.85e-71 . . . . 17300 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 -5 HIS . 17300 1 2 -4 HIS . 17300 1 3 -3 HIS . 17300 1 4 -2 HIS . 17300 1 5 -1 HIS . 17300 1 6 0 HIS . 17300 1 7 1 MET . 17300 1 8 2 ALA . 17300 1 9 3 ALA . 17300 1 10 4 GLN . 17300 1 11 5 ILE . 17300 1 12 6 THR . 17300 1 13 7 ASP . 17300 1 14 8 ALA . 17300 1 15 9 THR . 17300 1 16 10 PHE . 17300 1 17 11 GLU . 17300 1 18 12 ALA . 17300 1 19 13 SER . 17300 1 20 14 VAL . 17300 1 21 15 LEU . 17300 1 22 16 LYS . 17300 1 23 17 SER . 17300 1 24 18 ALA . 17300 1 25 19 ILE . 17300 1 26 20 PRO . 17300 1 27 21 VAL . 17300 1 28 22 LEU . 17300 1 29 23 ILE . 17300 1 30 24 ASP . 17300 1 31 25 PHE . 17300 1 32 26 TRP . 17300 1 33 27 ALA . 17300 1 34 28 PRO . 17300 1 35 29 TRP . 17300 1 36 30 CYS . 17300 1 37 31 GLY . 17300 1 38 32 PRO . 17300 1 39 33 CYS . 17300 1 40 34 ARG . 17300 1 41 35 ALA . 17300 1 42 36 MET . 17300 1 43 37 GLY . 17300 1 44 38 PRO . 17300 1 45 39 VAL . 17300 1 46 40 ILE . 17300 1 47 41 ASP . 17300 1 48 42 GLU . 17300 1 49 43 LEU . 17300 1 50 44 ALA . 17300 1 51 45 ALA . 17300 1 52 46 GLU . 17300 1 53 47 TYR . 17300 1 54 48 GLU . 17300 1 55 49 GLY . 17300 1 56 50 LYS . 17300 1 57 51 VAL . 17300 1 58 52 LEU . 17300 1 59 53 ILE . 17300 1 60 54 VAL . 17300 1 61 55 LYS . 17300 1 62 56 MET . 17300 1 63 57 ASN . 17300 1 64 58 VAL . 17300 1 65 59 ASP . 17300 1 66 60 ASP . 17300 1 67 61 ASN . 17300 1 68 62 PRO . 17300 1 69 63 ALA . 17300 1 70 64 THR . 17300 1 71 65 PRO . 17300 1 72 66 SER . 17300 1 73 67 LYS . 17300 1 74 68 TYR . 17300 1 75 69 GLY . 17300 1 76 70 ILE . 17300 1 77 71 ARG . 17300 1 78 72 ALA . 17300 1 79 73 ILE . 17300 1 80 74 PRO . 17300 1 81 75 THR . 17300 1 82 76 LEU . 17300 1 83 77 ILE . 17300 1 84 78 LEU . 17300 1 85 79 PHE . 17300 1 86 80 LYS . 17300 1 87 81 ASN . 17300 1 88 82 GLY . 17300 1 89 83 GLU . 17300 1 90 84 VAL . 17300 1 91 85 VAL . 17300 1 92 86 GLU . 17300 1 93 87 GLN . 17300 1 94 88 VAL . 17300 1 95 89 THR . 17300 1 96 90 GLY . 17300 1 97 91 ALA . 17300 1 98 92 VAL . 17300 1 99 93 SER . 17300 1 100 94 LYS . 17300 1 101 95 SER . 17300 1 102 96 SER . 17300 1 103 97 ILE . 17300 1 104 98 LYS . 17300 1 105 99 ASP . 17300 1 106 100 MET . 17300 1 107 101 ILE . 17300 1 108 102 ALA . 17300 1 109 103 GLN . 17300 1 110 104 LYS . 17300 1 111 105 ALA . 17300 1 112 106 LEU . 17300 1 113 107 GLY . 17300 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 . HIS 1 1 17300 1 . HIS 2 2 17300 1 . HIS 3 3 17300 1 . HIS 4 4 17300 1 . HIS 5 5 17300 1 . HIS 6 6 17300 1 . MET 7 7 17300 1 . ALA 8 8 17300 1 . ALA 9 9 17300 1 . GLN 10 10 17300 1 . ILE 11 11 17300 1 . THR 12 12 17300 1 . ASP 13 13 17300 1 . ALA 14 14 17300 1 . THR 15 15 17300 1 . PHE 16 16 17300 1 . GLU 17 17 17300 1 . ALA 18 18 17300 1 . SER 19 19 17300 1 . VAL 20 20 17300 1 . LEU 21 21 17300 1 . LYS 22 22 17300 1 . SER 23 23 17300 1 . ALA 24 24 17300 1 . ILE 25 25 17300 1 . PRO 26 26 17300 1 . VAL 27 27 17300 1 . LEU 28 28 17300 1 . ILE 29 29 17300 1 . ASP 30 30 17300 1 . PHE 31 31 17300 1 . TRP 32 32 17300 1 . ALA 33 33 17300 1 . PRO 34 34 17300 1 . TRP 35 35 17300 1 . CYS 36 36 17300 1 . GLY 37 37 17300 1 . PRO 38 38 17300 1 . CYS 39 39 17300 1 . ARG 40 40 17300 1 . ALA 41 41 17300 1 . MET 42 42 17300 1 . GLY 43 43 17300 1 . PRO 44 44 17300 1 . VAL 45 45 17300 1 . ILE 46 46 17300 1 . ASP 47 47 17300 1 . GLU 48 48 17300 1 . LEU 49 49 17300 1 . ALA 50 50 17300 1 . ALA 51 51 17300 1 . GLU 52 52 17300 1 . TYR 53 53 17300 1 . GLU 54 54 17300 1 . GLY 55 55 17300 1 . LYS 56 56 17300 1 . VAL 57 57 17300 1 . LEU 58 58 17300 1 . ILE 59 59 17300 1 . VAL 60 60 17300 1 . LYS 61 61 17300 1 . MET 62 62 17300 1 . ASN 63 63 17300 1 . VAL 64 64 17300 1 . ASP 65 65 17300 1 . ASP 66 66 17300 1 . ASN 67 67 17300 1 . PRO 68 68 17300 1 . ALA 69 69 17300 1 . THR 70 70 17300 1 . PRO 71 71 17300 1 . SER 72 72 17300 1 . LYS 73 73 17300 1 . TYR 74 74 17300 1 . GLY 75 75 17300 1 . ILE 76 76 17300 1 . ARG 77 77 17300 1 . ALA 78 78 17300 1 . ILE 79 79 17300 1 . PRO 80 80 17300 1 . THR 81 81 17300 1 . LEU 82 82 17300 1 . ILE 83 83 17300 1 . LEU 84 84 17300 1 . PHE 85 85 17300 1 . LYS 86 86 17300 1 . ASN 87 87 17300 1 . GLY 88 88 17300 1 . GLU 89 89 17300 1 . VAL 90 90 17300 1 . VAL 91 91 17300 1 . GLU 92 92 17300 1 . GLN 93 93 17300 1 . VAL 94 94 17300 1 . THR 95 95 17300 1 . GLY 96 96 17300 1 . ALA 97 97 17300 1 . VAL 98 98 17300 1 . SER 99 99 17300 1 . LYS 100 100 17300 1 . SER 101 101 17300 1 . SER 102 102 17300 1 . ILE 103 103 17300 1 . LYS 104 104 17300 1 . ASP 105 105 17300 1 . MET 106 106 17300 1 . ILE 107 107 17300 1 . ALA 108 108 17300 1 . GLN 109 109 17300 1 . LYS 110 110 17300 1 . ALA 111 111 17300 1 . LEU 112 112 17300 1 . GLY 113 113 17300 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 17300 _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 $Thioredoxin . 881 organism . 'Desulfovibrio vulgaris' 'Desulfovibrio vulgaris' . . Bacteria . Desulfovibrio vulgaris Hildenborough . . . . . . . . . . . . . . . DVU1839 . . . . 17300 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 17300 _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 $Thioredoxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pJF . . . . . . 17300 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17300 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'reduced thioredoxin' '[U-99% 13C; U-99% 15N]' . . 1 $Thioredoxin . . 1 . . mM . . . . 17300 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17300 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17300 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 17300 1 5 'Potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17300 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17300 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17300 1 pH 5.5 . pH 17300 1 pressure 1 . atm 17300 1 temperature 290 . K 17300 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17300 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17300 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17300 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17300 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17300 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 17300 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 10 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 13 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17300 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17300 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.25144953 . . . . . . . . . 17300 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17300 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013291 . . . . . . . . . 17300 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17300 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17300 1 2 '2D 1H-13C HSQC' . . . 17300 1 3 '2D 1H-1H TOCSY' . . . 17300 1 4 '2D 1H-1H NOESY' . . . 17300 1 5 '3D CBCA(CO)NH' . . . 17300 1 6 '3D HNCO' . . . 17300 1 7 '3D HNCACB' . . . 17300 1 8 '3D HCCH-TOCSY' . . . 17300 1 9 '3D 1H-15N NOESY' . . . 17300 1 10 '3D HNCA' . . . 17300 1 11 '3D HNHA' . . . 17300 1 12 '3D HBHA(CO)NH' . . . 17300 1 13 '3D HN(CO)CA' . . . 17300 1 14 '3D 1H-13C NOESY' . . . 17300 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 17300 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 7 7 MET H H 1 8.383 0.020 . 1 . . . . 1 MET H . 17300 1 2 . 1 1 7 7 MET HA H 1 4.491 0.020 . 1 . . . . 1 MET HA . 17300 1 3 . 1 1 7 7 MET HB2 H 1 3.145 0.020 . 2 . . . . 1 MET HB2 . 17300 1 4 . 1 1 7 7 MET HB3 H 1 2.902 0.020 . 2 . . . . 1 MET HB3 . 17300 1 5 . 1 1 7 7 MET HG2 H 1 3.078 0.020 . 2 . . . . 1 MET HG2 . 17300 1 6 . 1 1 7 7 MET HG3 H 1 2.895 0.020 . 2 . . . . 1 MET HG3 . 17300 1 7 . 1 1 7 7 MET C C 13 173.815 0.3 . 1 . . . . 1 MET C . 17300 1 8 . 1 1 7 7 MET CA C 13 54.008 0.3 . 1 . . . . 1 MET CA . 17300 1 9 . 1 1 7 7 MET CB C 13 30.557 0.3 . 1 . . . . 1 MET CB . 17300 1 10 . 1 1 7 7 MET CG C 13 29.165 0.3 . 1 . . . . 1 MET CG . 17300 1 11 . 1 1 7 7 MET N N 15 118.644 0.3 . 1 . . . . 1 MET N . 17300 1 12 . 1 1 8 8 ALA H H 1 8.762 0.020 . 1 . . . . 2 ALA H . 17300 1 13 . 1 1 8 8 ALA HA H 1 4.241 0.020 . 1 . . . . 2 ALA HA . 17300 1 14 . 1 1 8 8 ALA HB1 H 1 1.183 0.020 . 1 . . . . 2 ALA HB . 17300 1 15 . 1 1 8 8 ALA HB2 H 1 1.183 0.020 . 1 . . . . 2 ALA HB . 17300 1 16 . 1 1 8 8 ALA HB3 H 1 1.183 0.020 . 1 . . . . 2 ALA HB . 17300 1 17 . 1 1 8 8 ALA C C 13 176.861 0.3 . 1 . . . . 2 ALA C . 17300 1 18 . 1 1 8 8 ALA CA C 13 51.948 0.3 . 1 . . . . 2 ALA CA . 17300 1 19 . 1 1 8 8 ALA CB C 13 18.624 0.3 . 1 . . . . 2 ALA CB . 17300 1 20 . 1 1 8 8 ALA N N 15 124.644 0.3 . 1 . . . . 2 ALA N . 17300 1 21 . 1 1 9 9 ALA H H 1 8.885 0.020 . 1 . . . . 3 ALA H . 17300 1 22 . 1 1 9 9 ALA HA H 1 4.180 0.020 . 1 . . . . 3 ALA HA . 17300 1 23 . 1 1 9 9 ALA HB1 H 1 1.408 0.020 . 1 . . . . 3 ALA HB . 17300 1 24 . 1 1 9 9 ALA HB2 H 1 1.408 0.020 . 1 . . . . 3 ALA HB . 17300 1 25 . 1 1 9 9 ALA HB3 H 1 1.408 0.020 . 1 . . . . 3 ALA HB . 17300 1 26 . 1 1 9 9 ALA C C 13 175.668 0.3 . 1 . . . . 3 ALA C . 17300 1 27 . 1 1 9 9 ALA CA C 13 52.253 0.3 . 1 . . . . 3 ALA CA . 17300 1 28 . 1 1 9 9 ALA CB C 13 19.099 0.3 . 1 . . . . 3 ALA CB . 17300 1 29 . 1 1 9 9 ALA N N 15 126.435 0.3 . 1 . . . . 3 ALA N . 17300 1 30 . 1 1 10 10 GLN H H 1 8.367 0.020 . 1 . . . . 4 GLN H . 17300 1 31 . 1 1 10 10 GLN HA H 1 5.087 0.020 . 1 . . . . 4 GLN HA . 17300 1 32 . 1 1 10 10 GLN HB2 H 1 2.099 0.020 . 2 . . . . 4 GLN HB2 . 17300 1 33 . 1 1 10 10 GLN HB3 H 1 2.025 0.020 . 2 . . . . 4 GLN HB3 . 17300 1 34 . 1 1 10 10 GLN HG2 H 1 2.552 0.020 . 2 . . . . 4 GLN HG2 . 17300 1 35 . 1 1 10 10 GLN HG3 H 1 2.253 0.020 . 2 . . . . 4 GLN HG3 . 17300 1 36 . 1 1 10 10 GLN HE21 H 1 7.746 0.020 . 1 . . . . 4 GLN HE21 . 17300 1 37 . 1 1 10 10 GLN HE22 H 1 6.821 0.020 . 1 . . . . 4 GLN HE22 . 17300 1 38 . 1 1 10 10 GLN C C 13 176.345 0.3 . 1 . . . . 4 GLN C . 17300 1 39 . 1 1 10 10 GLN CA C 13 54.285 0.3 . 1 . . . . 4 GLN CA . 17300 1 40 . 1 1 10 10 GLN CB C 13 29.923 0.3 . 1 . . . . 4 GLN CB . 17300 1 41 . 1 1 10 10 GLN CG C 13 34.234 0.3 . 1 . . . . 4 GLN CG . 17300 1 42 . 1 1 10 10 GLN CD C 13 181.001 0.3 . 1 . . . . 4 GLN CD . 17300 1 43 . 1 1 10 10 GLN N N 15 116.967 0.3 . 1 . . . . 4 GLN N . 17300 1 44 . 1 1 10 10 GLN NE2 N 15 112.538 0.3 . 1 . . . . 4 GLN NE2 . 17300 1 45 . 1 1 11 11 ILE H H 1 8.913 0.020 . 1 . . . . 5 ILE H . 17300 1 46 . 1 1 11 11 ILE HA H 1 4.516 0.020 . 1 . . . . 5 ILE HA . 17300 1 47 . 1 1 11 11 ILE HB H 1 1.737 0.020 . 1 . . . . 5 ILE HB . 17300 1 48 . 1 1 11 11 ILE HG12 H 1 1.097 0.020 . 2 . . . . 5 ILE HG12 . 17300 1 49 . 1 1 11 11 ILE HG13 H 1 1.061 0.020 . 2 . . . . 5 ILE HG13 . 17300 1 50 . 1 1 11 11 ILE HG21 H 1 0.931 0.020 . 1 . . . . 5 ILE HG2 . 17300 1 51 . 1 1 11 11 ILE HG22 H 1 0.931 0.020 . 1 . . . . 5 ILE HG2 . 17300 1 52 . 1 1 11 11 ILE HG23 H 1 0.931 0.020 . 1 . . . . 5 ILE HG2 . 17300 1 53 . 1 1 11 11 ILE HD11 H 1 0.704 0.020 . 1 . . . . 5 ILE HD1 . 17300 1 54 . 1 1 11 11 ILE HD12 H 1 0.704 0.020 . 1 . . . . 5 ILE HD1 . 17300 1 55 . 1 1 11 11 ILE HD13 H 1 0.704 0.020 . 1 . . . . 5 ILE HD1 . 17300 1 56 . 1 1 11 11 ILE C C 13 174.456 0.3 . 1 . . . . 5 ILE C . 17300 1 57 . 1 1 11 11 ILE CA C 13 58.402 0.3 . 1 . . . . 5 ILE CA . 17300 1 58 . 1 1 11 11 ILE CB C 13 39.559 0.3 . 1 . . . . 5 ILE CB . 17300 1 59 . 1 1 11 11 ILE CG1 C 13 26.582 0.3 . 1 . . . . 5 ILE CG1 . 17300 1 60 . 1 1 11 11 ILE CG2 C 13 17.703 0.3 . 1 . . . . 5 ILE CG2 . 17300 1 61 . 1 1 11 11 ILE CD1 C 13 12.453 0.3 . 1 . . . . 5 ILE CD1 . 17300 1 62 . 1 1 11 11 ILE N N 15 120.897 0.3 . 1 . . . . 5 ILE N . 17300 1 63 . 1 1 12 12 THR H H 1 7.553 0.020 . 1 . . . . 6 THR H . 17300 1 64 . 1 1 12 12 THR HA H 1 4.869 0.020 . 1 . . . . 6 THR HA . 17300 1 65 . 1 1 12 12 THR HB H 1 4.801 0.020 . 1 . . . . 6 THR HB . 17300 1 66 . 1 1 12 12 THR HG21 H 1 1.198 0.020 . 1 . . . . 6 THR HG2 . 17300 1 67 . 1 1 12 12 THR HG22 H 1 1.198 0.020 . 1 . . . . 6 THR HG2 . 17300 1 68 . 1 1 12 12 THR HG23 H 1 1.198 0.020 . 1 . . . . 6 THR HG2 . 17300 1 69 . 1 1 12 12 THR C C 13 175.650 0.3 . 1 . . . . 6 THR C . 17300 1 70 . 1 1 12 12 THR CA C 13 58.718 0.3 . 1 . . . . 6 THR CA . 17300 1 71 . 1 1 12 12 THR CB C 13 73.063 0.3 . 1 . . . . 6 THR CB . 17300 1 72 . 1 1 12 12 THR CG2 C 13 21.471 0.3 . 1 . . . . 6 THR CG2 . 17300 1 73 . 1 1 12 12 THR N N 15 111.914 0.3 . 1 . . . . 6 THR N . 17300 1 74 . 1 1 13 13 ASP H H 1 8.788 0.020 . 1 . . . . 7 ASP H . 17300 1 75 . 1 1 13 13 ASP HA H 1 4.790 0.020 . 1 . . . . 7 ASP HA . 17300 1 76 . 1 1 13 13 ASP HB2 H 1 2.776 0.020 . 2 . . . . 7 ASP HB2 . 17300 1 77 . 1 1 13 13 ASP HB3 H 1 1.763 0.020 . 2 . . . . 7 ASP HB3 . 17300 1 78 . 1 1 13 13 ASP C C 13 178.394 0.3 . 1 . . . . 7 ASP C . 17300 1 79 . 1 1 13 13 ASP CA C 13 58.247 0.3 . 1 . . . . 7 ASP CA . 17300 1 80 . 1 1 13 13 ASP CB C 13 40.777 0.3 . 1 . . . . 7 ASP CB . 17300 1 81 . 1 1 13 13 ASP N N 15 121.480 0.3 . 1 . . . . 7 ASP N . 17300 1 82 . 1 1 14 14 ALA H H 1 8.305 0.020 . 1 . . . . 8 ALA H . 17300 1 83 . 1 1 14 14 ALA HA H 1 4.328 0.020 . 1 . . . . 8 ALA HA . 17300 1 84 . 1 1 14 14 ALA HB1 H 1 1.474 0.020 . 1 . . . . 8 ALA HB . 17300 1 85 . 1 1 14 14 ALA HB2 H 1 1.474 0.020 . 1 . . . . 8 ALA HB . 17300 1 86 . 1 1 14 14 ALA HB3 H 1 1.474 0.020 . 1 . . . . 8 ALA HB . 17300 1 87 . 1 1 14 14 ALA C C 13 179.445 0.3 . 1 . . . . 8 ALA C . 17300 1 88 . 1 1 14 14 ALA CA C 13 54.246 0.3 . 1 . . . . 8 ALA CA . 17300 1 89 . 1 1 14 14 ALA CB C 13 18.738 0.3 . 1 . . . . 8 ALA CB . 17300 1 90 . 1 1 14 14 ALA N N 15 119.414 0.3 . 1 . . . . 8 ALA N . 17300 1 91 . 1 1 15 15 THR H H 1 7.630 0.020 . 1 . . . . 9 THR H . 17300 1 92 . 1 1 15 15 THR HA H 1 4.643 0.020 . 1 . . . . 9 THR HA . 17300 1 93 . 1 1 15 15 THR HB H 1 4.608 0.020 . 1 . . . . 9 THR HB . 17300 1 94 . 1 1 15 15 THR HG21 H 1 1.153 0.020 . 1 . . . . 9 THR HG2 . 17300 1 95 . 1 1 15 15 THR HG22 H 1 1.153 0.020 . 1 . . . . 9 THR HG2 . 17300 1 96 . 1 1 15 15 THR HG23 H 1 1.153 0.020 . 1 . . . . 9 THR HG2 . 17300 1 97 . 1 1 15 15 THR C C 13 175.490 0.3 . 1 . . . . 9 THR C . 17300 1 98 . 1 1 15 15 THR CA C 13 60.831 0.3 . 1 . . . . 9 THR CA . 17300 1 99 . 1 1 15 15 THR CB C 13 70.140 0.3 . 1 . . . . 9 THR CB . 17300 1 100 . 1 1 15 15 THR CG2 C 13 21.605 0.3 . 1 . . . . 9 THR CG2 . 17300 1 101 . 1 1 15 15 THR N N 15 106.511 0.3 . 1 . . . . 9 THR N . 17300 1 102 . 1 1 16 16 PHE H H 1 7.866 0.020 . 1 . . . . 10 PHE H . 17300 1 103 . 1 1 16 16 PHE HA H 1 3.766 0.020 . 1 . . . . 10 PHE HA . 17300 1 104 . 1 1 16 16 PHE HB2 H 1 3.235 0.020 . 2 . . . . 10 PHE HB2 . 17300 1 105 . 1 1 16 16 PHE HB3 H 1 2.954 0.020 . 2 . . . . 10 PHE HB3 . 17300 1 106 . 1 1 16 16 PHE HD1 H 1 6.952 0.020 . 1 . . . . 10 PHE HD1 . 17300 1 107 . 1 1 16 16 PHE HD2 H 1 6.952 0.020 . 1 . . . . 10 PHE HD2 . 17300 1 108 . 1 1 16 16 PHE HE1 H 1 6.685 0.020 . 1 . . . . 10 PHE HE1 . 17300 1 109 . 1 1 16 16 PHE HE2 H 1 6.685 0.020 . 1 . . . . 10 PHE HE2 . 17300 1 110 . 1 1 16 16 PHE HZ H 1 7.082 0.020 . 1 . . . . 10 PHE HZ . 17300 1 111 . 1 1 16 16 PHE C C 13 176.256 0.3 . 1 . . . . 10 PHE C . 17300 1 112 . 1 1 16 16 PHE CA C 13 62.772 0.3 . 1 . . . . 10 PHE CA . 17300 1 113 . 1 1 16 16 PHE CB C 13 39.827 0.3 . 1 . . . . 10 PHE CB . 17300 1 114 . 1 1 16 16 PHE CE1 C 13 131.376 0.3 . 1 . . . . 10 PHE CE1 . 17300 1 115 . 1 1 16 16 PHE CZ C 13 128.678 0.3 . 1 . . . . 10 PHE CZ . 17300 1 116 . 1 1 16 16 PHE N N 15 124.793 0.3 . 1 . . . . 10 PHE N . 17300 1 117 . 1 1 17 17 GLU H H 1 9.290 0.020 . 1 . . . . 11 GLU H . 17300 1 118 . 1 1 17 17 GLU HA H 1 3.398 0.020 . 1 . . . . 11 GLU HA . 17300 1 119 . 1 1 17 17 GLU HB2 H 1 2.105 0.020 . 2 . . . . 11 GLU HB2 . 17300 1 120 . 1 1 17 17 GLU HB3 H 1 2.030 0.020 . 2 . . . . 11 GLU HB3 . 17300 1 121 . 1 1 17 17 GLU HG2 H 1 2.326 0.020 . 2 . . . . 11 GLU HG2 . 17300 1 122 . 1 1 17 17 GLU HG3 H 1 2.054 0.020 . 2 . . . . 11 GLU HG3 . 17300 1 123 . 1 1 17 17 GLU C C 13 177.253 0.3 . 1 . . . . 11 GLU C . 17300 1 124 . 1 1 17 17 GLU CA C 13 60.752 0.3 . 1 . . . . 11 GLU CA . 17300 1 125 . 1 1 17 17 GLU CB C 13 28.497 0.3 . 1 . . . . 11 GLU CB . 17300 1 126 . 1 1 17 17 GLU CG C 13 36.285 0.3 . 1 . . . . 11 GLU CG . 17300 1 127 . 1 1 17 17 GLU CD C 13 183.060 0.3 . 1 . . . . 11 GLU CD . 17300 1 128 . 1 1 17 17 GLU N N 15 120.977 0.3 . 1 . . . . 11 GLU N . 17300 1 129 . 1 1 18 18 ALA H H 1 8.415 0.020 . 1 . . . . 12 ALA H . 17300 1 130 . 1 1 18 18 ALA HA H 1 3.793 0.020 . 1 . . . . 12 ALA HA . 17300 1 131 . 1 1 18 18 ALA HB1 H 1 1.315 0.020 . 1 . . . . 12 ALA HB . 17300 1 132 . 1 1 18 18 ALA HB2 H 1 1.315 0.020 . 1 . . . . 12 ALA HB . 17300 1 133 . 1 1 18 18 ALA HB3 H 1 1.315 0.020 . 1 . . . . 12 ALA HB . 17300 1 134 . 1 1 18 18 ALA C C 13 179.587 0.3 . 1 . . . . 12 ALA C . 17300 1 135 . 1 1 18 18 ALA CA C 13 54.602 0.3 . 1 . . . . 12 ALA CA . 17300 1 136 . 1 1 18 18 ALA CB C 13 18.703 0.3 . 1 . . . . 12 ALA CB . 17300 1 137 . 1 1 18 18 ALA N N 15 117.890 0.3 . 1 . . . . 12 ALA N . 17300 1 138 . 1 1 19 19 SER H H 1 8.046 0.020 . 1 . . . . 13 SER H . 17300 1 139 . 1 1 19 19 SER HA H 1 4.154 0.020 . 1 . . . . 13 SER HA . 17300 1 140 . 1 1 19 19 SER HB2 H 1 3.695 0.020 . 2 . . . . 13 SER HB2 . 17300 1 141 . 1 1 19 19 SER HB3 H 1 3.598 0.020 . 2 . . . . 13 SER HB3 . 17300 1 142 . 1 1 19 19 SER C C 13 173.761 0.3 . 1 . . . . 13 SER C . 17300 1 143 . 1 1 19 19 SER CA C 13 60.633 0.3 . 1 . . . . 13 SER CA . 17300 1 144 . 1 1 19 19 SER CB C 13 63.961 0.3 . 1 . . . . 13 SER CB . 17300 1 145 . 1 1 19 19 SER N N 15 108.673 0.3 . 1 . . . . 13 SER N . 17300 1 146 . 1 1 20 20 VAL H H 1 7.811 0.020 . 1 . . . . 14 VAL H . 17300 1 147 . 1 1 20 20 VAL HA H 1 3.821 0.020 . 1 . . . . 14 VAL HA . 17300 1 148 . 1 1 20 20 VAL HB H 1 0.776 0.020 . 1 . . . . 14 VAL HB . 17300 1 149 . 1 1 20 20 VAL HG11 H 1 0.434 0.020 . 1 . . . . 14 VAL HG1 . 17300 1 150 . 1 1 20 20 VAL HG12 H 1 0.434 0.020 . 1 . . . . 14 VAL HG1 . 17300 1 151 . 1 1 20 20 VAL HG13 H 1 0.434 0.020 . 1 . . . . 14 VAL HG1 . 17300 1 152 . 1 1 20 20 VAL HG21 H 1 -0.300 0.020 . 1 . . . . 14 VAL HG2 . 17300 1 153 . 1 1 20 20 VAL HG22 H 1 -0.300 0.020 . 1 . . . . 14 VAL HG2 . 17300 1 154 . 1 1 20 20 VAL HG23 H 1 -0.300 0.020 . 1 . . . . 14 VAL HG2 . 17300 1 155 . 1 1 20 20 VAL C C 13 177.485 0.3 . 1 . . . . 14 VAL C . 17300 1 156 . 1 1 20 20 VAL CA C 13 63.169 0.3 . 1 . . . . 14 VAL CA . 17300 1 157 . 1 1 20 20 VAL CB C 13 30.953 0.3 . 1 . . . . 14 VAL CB . 17300 1 158 . 1 1 20 20 VAL CG1 C 13 21.320 0.3 . 1 . . . . 14 VAL CG1 . 17300 1 159 . 1 1 20 20 VAL CG2 C 13 19.646 0.3 . 1 . . . . 14 VAL CG2 . 17300 1 160 . 1 1 20 20 VAL N N 15 115.783 0.3 . 1 . . . . 14 VAL N . 17300 1 161 . 1 1 21 21 LEU H H 1 6.769 0.020 . 1 . . . . 15 LEU H . 17300 1 162 . 1 1 21 21 LEU HA H 1 3.605 0.020 . 1 . . . . 15 LEU HA . 17300 1 163 . 1 1 21 21 LEU HB2 H 1 2.063 0.020 . 2 . . . . 15 LEU HB2 . 17300 1 164 . 1 1 21 21 LEU HB3 H 1 1.405 0.020 . 2 . . . . 15 LEU HB3 . 17300 1 165 . 1 1 21 21 LEU HG H 1 1.046 0.020 . 1 . . . . 15 LEU HG . 17300 1 166 . 1 1 21 21 LEU HD11 H 1 1.014 0.020 . 1 . . . . 15 LEU HD1 . 17300 1 167 . 1 1 21 21 LEU HD12 H 1 1.014 0.020 . 1 . . . . 15 LEU HD1 . 17300 1 168 . 1 1 21 21 LEU HD13 H 1 1.014 0.020 . 1 . . . . 15 LEU HD1 . 17300 1 169 . 1 1 21 21 LEU HD21 H 1 0.580 0.020 . 1 . . . . 15 LEU HD2 . 17300 1 170 . 1 1 21 21 LEU HD22 H 1 0.580 0.020 . 1 . . . . 15 LEU HD2 . 17300 1 171 . 1 1 21 21 LEU HD23 H 1 0.580 0.020 . 1 . . . . 15 LEU HD2 . 17300 1 172 . 1 1 21 21 LEU C C 13 178.785 0.3 . 1 . . . . 15 LEU C . 17300 1 173 . 1 1 21 21 LEU CA C 13 57.811 0.3 . 1 . . . . 15 LEU CA . 17300 1 174 . 1 1 21 21 LEU CB C 13 39.034 0.3 . 1 . . . . 15 LEU CB . 17300 1 175 . 1 1 21 21 LEU CG C 13 25.457 0.3 . 1 . . . . 15 LEU CG . 17300 1 176 . 1 1 21 21 LEU CD1 C 13 25.096 0.3 . 1 . . . . 15 LEU CD1 . 17300 1 177 . 1 1 21 21 LEU CD2 C 13 21.671 0.3 . 1 . . . . 15 LEU CD2 . 17300 1 178 . 1 1 21 21 LEU N N 15 116.826 0.3 . 1 . . . . 15 LEU N . 17300 1 179 . 1 1 22 22 LYS H H 1 6.975 0.020 . 1 . . . . 16 LYS H . 17300 1 180 . 1 1 22 22 LYS HA H 1 4.282 0.020 . 1 . . . . 16 LYS HA . 17300 1 181 . 1 1 22 22 LYS HB2 H 1 2.027 0.020 . 2 . . . . 16 LYS HB2 . 17300 1 182 . 1 1 22 22 LYS HB3 H 1 1.746 0.020 . 2 . . . . 16 LYS HB3 . 17300 1 183 . 1 1 22 22 LYS HG2 H 1 1.358 0.020 . 2 . . . . 16 LYS HG2 . 17300 1 184 . 1 1 22 22 LYS HG3 H 1 1.209 0.020 . 2 . . . . 16 LYS HG3 . 17300 1 185 . 1 1 22 22 LYS HD2 H 1 1.526 0.020 . 2 . . . . 16 LYS HD2 . 17300 1 186 . 1 1 22 22 LYS HD3 H 1 1.485 0.020 . 2 . . . . 16 LYS HD3 . 17300 1 187 . 1 1 22 22 LYS HE2 H 1 2.840 0.020 . 2 . . . . 16 LYS HE2 . 17300 1 188 . 1 1 22 22 LYS HE3 H 1 2.815 0.020 . 2 . . . . 16 LYS HE3 . 17300 1 189 . 1 1 22 22 LYS C C 13 176.042 0.3 . 1 . . . . 16 LYS C . 17300 1 190 . 1 1 22 22 LYS CA C 13 54.533 0.3 . 1 . . . . 16 LYS CA . 17300 1 191 . 1 1 22 22 LYS CB C 13 31.151 0.3 . 1 . . . . 16 LYS CB . 17300 1 192 . 1 1 22 22 LYS CG C 13 24.818 0.3 . 1 . . . . 16 LYS CG . 17300 1 193 . 1 1 22 22 LYS CD C 13 28.383 0.3 . 1 . . . . 16 LYS CD . 17300 1 194 . 1 1 22 22 LYS CE C 13 42.050 0.3 . 1 . . . . 16 LYS CE . 17300 1 195 . 1 1 22 22 LYS N N 15 113.085 0.3 . 1 . . . . 16 LYS N . 17300 1 196 . 1 1 23 23 SER H H 1 6.429 0.020 . 1 . . . . 17 SER H . 17300 1 197 . 1 1 23 23 SER HA H 1 4.087 0.020 . 1 . . . . 17 SER HA . 17300 1 198 . 1 1 23 23 SER HB2 H 1 3.890 0.020 . 2 . . . . 17 SER HB2 . 17300 1 199 . 1 1 23 23 SER HB3 H 1 3.726 0.020 . 2 . . . . 17 SER HB3 . 17300 1 200 . 1 1 23 23 SER C C 13 176.781 0.3 . 1 . . . . 17 SER C . 17300 1 201 . 1 1 23 23 SER CA C 13 58.019 0.3 . 1 . . . . 17 SER CA . 17300 1 202 . 1 1 23 23 SER CB C 13 63.446 0.3 . 1 . . . . 17 SER CB . 17300 1 203 . 1 1 23 23 SER N N 15 111.597 0.3 . 1 . . . . 17 SER N . 17300 1 204 . 1 1 24 24 ALA H H 1 9.306 0.020 . 1 . . . . 18 ALA H . 17300 1 205 . 1 1 24 24 ALA HA H 1 4.396 0.020 . 1 . . . . 18 ALA HA . 17300 1 206 . 1 1 24 24 ALA HB1 H 1 1.475 0.020 . 1 . . . . 18 ALA HB . 17300 1 207 . 1 1 24 24 ALA HB2 H 1 1.475 0.020 . 1 . . . . 18 ALA HB . 17300 1 208 . 1 1 24 24 ALA HB3 H 1 1.475 0.020 . 1 . . . . 18 ALA HB . 17300 1 209 . 1 1 24 24 ALA C C 13 177.627 0.3 . 1 . . . . 18 ALA C . 17300 1 210 . 1 1 24 24 ALA CA C 13 53.413 0.3 . 1 . . . . 18 ALA CA . 17300 1 211 . 1 1 24 24 ALA CB C 13 18.985 0.3 . 1 . . . . 18 ALA CB . 17300 1 212 . 1 1 24 24 ALA N N 15 132.541 0.3 . 1 . . . . 18 ALA N . 17300 1 213 . 1 1 25 25 ILE H H 1 7.375 0.020 . 1 . . . . 19 ILE H . 17300 1 214 . 1 1 25 25 ILE HA H 1 4.924 0.020 . 1 . . . . 19 ILE HA . 17300 1 215 . 1 1 25 25 ILE HB H 1 2.105 0.020 . 1 . . . . 19 ILE HB . 17300 1 216 . 1 1 25 25 ILE HG12 H 1 0.764 0.020 . 2 . . . . 19 ILE HG12 . 17300 1 217 . 1 1 25 25 ILE HG13 H 1 0.735 0.020 . 2 . . . . 19 ILE HG13 . 17300 1 218 . 1 1 25 25 ILE HG21 H 1 0.421 0.020 . 1 . . . . 19 ILE HG2 . 17300 1 219 . 1 1 25 25 ILE HG22 H 1 0.421 0.020 . 1 . . . . 19 ILE HG2 . 17300 1 220 . 1 1 25 25 ILE HG23 H 1 0.421 0.020 . 1 . . . . 19 ILE HG2 . 17300 1 221 . 1 1 25 25 ILE HD11 H 1 0.545 0.020 . 1 . . . . 19 ILE HD1 . 17300 1 222 . 1 1 25 25 ILE HD12 H 1 0.545 0.020 . 1 . . . . 19 ILE HD1 . 17300 1 223 . 1 1 25 25 ILE HD13 H 1 0.545 0.020 . 1 . . . . 19 ILE HD1 . 17300 1 224 . 1 1 25 25 ILE CA C 13 58.534 0.3 . 1 . . . . 19 ILE CA . 17300 1 225 . 1 1 25 25 ILE CB C 13 37.291 0.3 . 1 . . . . 19 ILE CB . 17300 1 226 . 1 1 25 25 ILE CG1 C 13 22.490 0.3 . 1 . . . . 19 ILE CG1 . 17300 1 227 . 1 1 25 25 ILE CG2 C 13 17.536 0.3 . 1 . . . . 19 ILE CG2 . 17300 1 228 . 1 1 25 25 ILE CD1 C 13 13.574 0.3 . 1 . . . . 19 ILE CD1 . 17300 1 229 . 1 1 25 25 ILE N N 15 109.985 0.3 . 1 . . . . 19 ILE N . 17300 1 230 . 1 1 26 26 PRO HA H 1 4.740 0.020 . 1 . . . . 20 PRO HA . 17300 1 231 . 1 1 26 26 PRO HB2 H 1 2.305 0.020 . 2 . . . . 20 PRO HB2 . 17300 1 232 . 1 1 26 26 PRO HB3 H 1 1.749 0.020 . 2 . . . . 20 PRO HB3 . 17300 1 233 . 1 1 26 26 PRO HG2 H 1 2.253 0.020 . 2 . . . . 20 PRO HG2 . 17300 1 234 . 1 1 26 26 PRO HG3 H 1 1.989 0.020 . 2 . . . . 20 PRO HG3 . 17300 1 235 . 1 1 26 26 PRO HD2 H 1 4.042 0.020 . 2 . . . . 20 PRO HD2 . 17300 1 236 . 1 1 26 26 PRO HD3 H 1 4.007 0.020 . 2 . . . . 20 PRO HD3 . 17300 1 237 . 1 1 26 26 PRO C C 13 172.960 0.3 . 1 . . . . 20 PRO C . 17300 1 238 . 1 1 26 26 PRO CA C 13 63.347 0.3 . 1 . . . . 20 PRO CA . 17300 1 239 . 1 1 26 26 PRO CB C 13 32.062 0.3 . 1 . . . . 20 PRO CB . 17300 1 240 . 1 1 26 26 PRO CG C 13 28.169 0.3 . 1 . . . . 20 PRO CG . 17300 1 241 . 1 1 26 26 PRO CD C 13 50.815 0.3 . 1 . . . . 20 PRO CD . 17300 1 242 . 1 1 27 27 VAL H H 1 8.687 0.020 . 1 . . . . 21 VAL H . 17300 1 243 . 1 1 27 27 VAL HA H 1 5.280 0.020 . 1 . . . . 21 VAL HA . 17300 1 244 . 1 1 27 27 VAL HB H 1 1.941 0.020 . 1 . . . . 21 VAL HB . 17300 1 245 . 1 1 27 27 VAL HG11 H 1 1.195 0.020 . 1 . . . . 21 VAL HG1 . 17300 1 246 . 1 1 27 27 VAL HG12 H 1 1.195 0.020 . 1 . . . . 21 VAL HG1 . 17300 1 247 . 1 1 27 27 VAL HG13 H 1 1.195 0.020 . 1 . . . . 21 VAL HG1 . 17300 1 248 . 1 1 27 27 VAL HG21 H 1 0.815 0.020 . 1 . . . . 21 VAL HG2 . 17300 1 249 . 1 1 27 27 VAL HG22 H 1 0.815 0.020 . 1 . . . . 21 VAL HG2 . 17300 1 250 . 1 1 27 27 VAL HG23 H 1 0.815 0.020 . 1 . . . . 21 VAL HG2 . 17300 1 251 . 1 1 27 27 VAL C C 13 174.082 0.3 . 1 . . . . 21 VAL C . 17300 1 252 . 1 1 27 27 VAL CA C 13 59.405 0.3 . 1 . . . . 21 VAL CA . 17300 1 253 . 1 1 27 27 VAL CB C 13 35.807 0.3 . 1 . . . . 21 VAL CB . 17300 1 254 . 1 1 27 27 VAL CG1 C 13 21.286 0.3 . 1 . . . . 21 VAL CG1 . 17300 1 255 . 1 1 27 27 VAL CG2 C 13 20.841 0.3 . 1 . . . . 21 VAL CG2 . 17300 1 256 . 1 1 27 27 VAL N N 15 119.451 0.3 . 1 . . . . 21 VAL N . 17300 1 257 . 1 1 28 28 LEU H H 1 9.353 0.020 . 1 . . . . 22 LEU H . 17300 1 258 . 1 1 28 28 LEU HA H 1 5.335 0.020 . 1 . . . . 22 LEU HA . 17300 1 259 . 1 1 28 28 LEU HB2 H 1 1.929 0.020 . 2 . . . . 22 LEU HB2 . 17300 1 260 . 1 1 28 28 LEU HB3 H 1 0.827 0.020 . 2 . . . . 22 LEU HB3 . 17300 1 261 . 1 1 28 28 LEU HG H 1 1.248 0.020 . 1 . . . . 22 LEU HG . 17300 1 262 . 1 1 28 28 LEU HD11 H 1 0.704 0.020 . 1 . . . . 22 LEU HD1 . 17300 1 263 . 1 1 28 28 LEU HD12 H 1 0.704 0.020 . 1 . . . . 22 LEU HD1 . 17300 1 264 . 1 1 28 28 LEU HD13 H 1 0.704 0.020 . 1 . . . . 22 LEU HD1 . 17300 1 265 . 1 1 28 28 LEU HD21 H 1 0.628 0.020 . 1 . . . . 22 LEU HD2 . 17300 1 266 . 1 1 28 28 LEU HD22 H 1 0.628 0.020 . 1 . . . . 22 LEU HD2 . 17300 1 267 . 1 1 28 28 LEU HD23 H 1 0.628 0.020 . 1 . . . . 22 LEU HD2 . 17300 1 268 . 1 1 28 28 LEU C C 13 173.797 0.3 . 1 . . . . 22 LEU C . 17300 1 269 . 1 1 28 28 LEU CA C 13 52.562 0.3 . 1 . . . . 22 LEU CA . 17300 1 270 . 1 1 28 28 LEU CB C 13 45.538 0.3 . 1 . . . . 22 LEU CB . 17300 1 271 . 1 1 28 28 LEU CG C 13 26.884 0.3 . 1 . . . . 22 LEU CG . 17300 1 272 . 1 1 28 28 LEU CD1 C 13 24.666 0.3 . 1 . . . . 22 LEU CD1 . 17300 1 273 . 1 1 28 28 LEU CD2 C 13 26.039 0.3 . 1 . . . . 22 LEU CD2 . 17300 1 274 . 1 1 28 28 LEU N N 15 129.415 0.3 . 1 . . . . 22 LEU N . 17300 1 275 . 1 1 29 29 ILE H H 1 9.174 0.020 . 1 . . . . 23 ILE H . 17300 1 276 . 1 1 29 29 ILE HA H 1 4.376 0.020 . 1 . . . . 23 ILE HA . 17300 1 277 . 1 1 29 29 ILE HB H 1 1.262 0.020 . 1 . . . . 23 ILE HB . 17300 1 278 . 1 1 29 29 ILE HG12 H 1 1.981 0.020 . 2 . . . . 23 ILE HG12 . 17300 1 279 . 1 1 29 29 ILE HG13 H 1 1.940 0.020 . 2 . . . . 23 ILE HG13 . 17300 1 280 . 1 1 29 29 ILE HG21 H 1 0.834 0.020 . 1 . . . . 23 ILE HG2 . 17300 1 281 . 1 1 29 29 ILE HG22 H 1 0.834 0.020 . 1 . . . . 23 ILE HG2 . 17300 1 282 . 1 1 29 29 ILE HG23 H 1 0.834 0.020 . 1 . . . . 23 ILE HG2 . 17300 1 283 . 1 1 29 29 ILE HD11 H 1 0.721 0.020 . 1 . . . . 23 ILE HD1 . 17300 1 284 . 1 1 29 29 ILE HD12 H 1 0.721 0.020 . 1 . . . . 23 ILE HD1 . 17300 1 285 . 1 1 29 29 ILE HD13 H 1 0.721 0.020 . 1 . . . . 23 ILE HD1 . 17300 1 286 . 1 1 29 29 ILE C C 13 173.441 0.3 . 1 . . . . 23 ILE C . 17300 1 287 . 1 1 29 29 ILE CA C 13 58.402 0.3 . 1 . . . . 23 ILE CA . 17300 1 288 . 1 1 29 29 ILE CB C 13 40.838 0.3 . 1 . . . . 23 ILE CB . 17300 1 289 . 1 1 29 29 ILE CG1 C 13 34.770 0.3 . 1 . . . . 23 ILE CG1 . 17300 1 290 . 1 1 29 29 ILE CG2 C 13 22.274 0.3 . 1 . . . . 23 ILE CG2 . 17300 1 291 . 1 1 29 29 ILE CD1 C 13 19.396 0.3 . 1 . . . . 23 ILE CD1 . 17300 1 292 . 1 1 29 29 ILE N N 15 123.352 0.3 . 1 . . . . 23 ILE N . 17300 1 293 . 1 1 30 30 ASP H H 1 8.524 0.020 . 1 . . . . 24 ASP H . 17300 1 294 . 1 1 30 30 ASP HA H 1 5.042 0.020 . 1 . . . . 24 ASP HA . 17300 1 295 . 1 1 30 30 ASP HB2 H 1 2.810 0.020 . 2 . . . . 24 ASP HB2 . 17300 1 296 . 1 1 30 30 ASP HB3 H 1 2.197 0.020 . 2 . . . . 24 ASP HB3 . 17300 1 297 . 1 1 30 30 ASP C C 13 174.296 0.3 . 1 . . . . 24 ASP C . 17300 1 298 . 1 1 30 30 ASP CA C 13 51.077 0.3 . 1 . . . . 24 ASP CA . 17300 1 299 . 1 1 30 30 ASP CB C 13 39.074 0.3 . 1 . . . . 24 ASP CB . 17300 1 300 . 1 1 30 30 ASP N N 15 123.428 0.3 . 1 . . . . 24 ASP N . 17300 1 301 . 1 1 31 31 PHE H H 1 9.523 0.020 . 1 . . . . 25 PHE H . 17300 1 302 . 1 1 31 31 PHE HA H 1 5.334 0.020 . 1 . . . . 25 PHE HA . 17300 1 303 . 1 1 31 31 PHE HB2 H 1 3.262 0.020 . 2 . . . . 25 PHE HB2 . 17300 1 304 . 1 1 31 31 PHE HB3 H 1 2.699 0.020 . 2 . . . . 25 PHE HB3 . 17300 1 305 . 1 1 31 31 PHE HD1 H 1 7.007 0.020 . 1 . . . . 25 PHE HD1 . 17300 1 306 . 1 1 31 31 PHE HE1 H 1 7.148 0.020 . 1 . . . . 25 PHE HE1 . 17300 1 307 . 1 1 31 31 PHE HE2 H 1 7.148 0.020 . 1 . . . . 25 PHE HE2 . 17300 1 308 . 1 1 31 31 PHE HZ H 1 6.678 0.020 . 1 . . . . 25 PHE HZ . 17300 1 309 . 1 1 31 31 PHE C C 13 173.530 0.3 . 1 . . . . 25 PHE C . 17300 1 310 . 1 1 31 31 PHE CA C 13 58.365 0.3 . 1 . . . . 25 PHE CA . 17300 1 311 . 1 1 31 31 PHE CB C 13 38.199 0.3 . 1 . . . . 25 PHE CB . 17300 1 312 . 1 1 31 31 PHE CD1 C 13 131.285 0.3 . 1 . . . . 25 PHE CD1 . 17300 1 313 . 1 1 31 31 PHE CE1 C 13 131.776 0.3 . 1 . . . . 25 PHE CE1 . 17300 1 314 . 1 1 31 31 PHE CZ C 13 131.444 0.3 . 1 . . . . 25 PHE CZ . 17300 1 315 . 1 1 31 31 PHE N N 15 127.901 0.3 . 1 . . . . 25 PHE N . 17300 1 316 . 1 1 32 32 TRP H H 1 8.607 0.020 . 1 . . . . 26 TRP H . 17300 1 317 . 1 1 32 32 TRP HA H 1 5.182 0.020 . 1 . . . . 26 TRP HA . 17300 1 318 . 1 1 32 32 TRP HB2 H 1 3.280 0.020 . 2 . . . . 26 TRP HB2 . 17300 1 319 . 1 1 32 32 TRP HB3 H 1 2.974 0.020 . 2 . . . . 26 TRP HB3 . 17300 1 320 . 1 1 32 32 TRP HD1 H 1 7.267 0.020 . 1 . . . . 26 TRP HD1 . 17300 1 321 . 1 1 32 32 TRP HE1 H 1 10.825 0.020 . 1 . . . . 26 TRP HE1 . 17300 1 322 . 1 1 32 32 TRP HE3 H 1 8.915 0.020 . 1 . . . . 26 TRP HE3 . 17300 1 323 . 1 1 32 32 TRP HZ2 H 1 7.546 0.020 . 1 . . . . 26 TRP HZ2 . 17300 1 324 . 1 1 32 32 TRP HZ3 H 1 7.210 0.020 . 1 . . . . 26 TRP HZ3 . 17300 1 325 . 1 1 32 32 TRP HH2 H 1 6.740 0.020 . 1 . . . . 26 TRP HH2 . 17300 1 326 . 1 1 32 32 TRP C C 13 171.833 0.3 . 1 . . . . 26 TRP C . 17300 1 327 . 1 1 32 32 TRP CA C 13 54.526 0.3 . 1 . . . . 26 TRP CA . 17300 1 328 . 1 1 32 32 TRP CB C 13 33.251 0.3 . 1 . . . . 26 TRP CB . 17300 1 329 . 1 1 32 32 TRP CD1 C 13 131.754 0.3 . 1 . . . . 26 TRP CD1 . 17300 1 330 . 1 1 32 32 TRP CZ2 C 13 113.877 0.3 . 1 . . . . 26 TRP CZ2 . 17300 1 331 . 1 1 32 32 TRP CZ3 C 13 124.717 0.3 . 1 . . . . 26 TRP CZ3 . 17300 1 332 . 1 1 32 32 TRP CH2 C 13 127.405 0.3 . 1 . . . . 26 TRP CH2 . 17300 1 333 . 1 1 32 32 TRP N N 15 120.726 0.3 . 1 . . . . 26 TRP N . 17300 1 334 . 1 1 32 32 TRP NE1 N 15 130.698 0.3 . 1 . . . . 26 TRP NE1 . 17300 1 335 . 1 1 33 33 ALA H H 1 7.025 0.020 . 1 . . . . 27 ALA H . 17300 1 336 . 1 1 33 33 ALA HA H 1 3.404 0.020 . 1 . . . . 27 ALA HA . 17300 1 337 . 1 1 33 33 ALA HB1 H 1 0.414 0.020 . 1 . . . . 27 ALA HB . 17300 1 338 . 1 1 33 33 ALA HB2 H 1 0.414 0.020 . 1 . . . . 27 ALA HB . 17300 1 339 . 1 1 33 33 ALA HB3 H 1 0.414 0.020 . 1 . . . . 27 ALA HB . 17300 1 340 . 1 1 33 33 ALA CA C 13 50.681 0.3 . 1 . . . . 27 ALA CA . 17300 1 341 . 1 1 33 33 ALA CB C 13 19.891 0.3 . 1 . . . . 27 ALA CB . 17300 1 342 . 1 1 33 33 ALA N N 15 117.426 0.3 . 1 . . . . 27 ALA N . 17300 1 343 . 1 1 34 34 PRO HA H 1 4.365 0.020 . 1 . . . . 28 PRO HA . 17300 1 344 . 1 1 34 34 PRO HB2 H 1 2.462 0.020 . 2 . . . . 28 PRO HB2 . 17300 1 345 . 1 1 34 34 PRO HB3 H 1 2.090 0.020 . 2 . . . . 28 PRO HB3 . 17300 1 346 . 1 1 34 34 PRO HG2 H 1 2.017 0.020 . 2 . . . . 28 PRO HG2 . 17300 1 347 . 1 1 34 34 PRO HG3 H 1 1.922 0.020 . 2 . . . . 28 PRO HG3 . 17300 1 348 . 1 1 34 34 PRO HD2 H 1 3.416 0.020 . 2 . . . . 28 PRO HD2 . 17300 1 349 . 1 1 34 34 PRO HD3 H 1 2.558 0.020 . 2 . . . . 28 PRO HD3 . 17300 1 350 . 1 1 34 34 PRO C C 13 176.220 0.3 . 1 . . . . 28 PRO C . 17300 1 351 . 1 1 34 34 PRO CA C 13 65.205 0.3 . 1 . . . . 28 PRO CA . 17300 1 352 . 1 1 34 34 PRO CB C 13 31.943 0.3 . 1 . . . . 28 PRO CB . 17300 1 353 . 1 1 34 34 PRO CG C 13 27.064 0.3 . 1 . . . . 28 PRO CG . 17300 1 354 . 1 1 34 34 PRO CD C 13 50.903 0.3 . 1 . . . . 28 PRO CD . 17300 1 355 . 1 1 35 35 TRP H H 1 6.352 0.020 . 1 . . . . 29 TRP H . 17300 1 356 . 1 1 35 35 TRP HA H 1 4.495 0.020 . 1 . . . . 29 TRP HA . 17300 1 357 . 1 1 35 35 TRP HB2 H 1 3.616 0.020 . 2 . . . . 29 TRP HB2 . 17300 1 358 . 1 1 35 35 TRP HB3 H 1 3.139 0.020 . 2 . . . . 29 TRP HB3 . 17300 1 359 . 1 1 35 35 TRP HD1 H 1 7.392 0.020 . 1 . . . . 29 TRP HD1 . 17300 1 360 . 1 1 35 35 TRP HE1 H 1 11.730 0.020 . 1 . . . . 29 TRP HE1 . 17300 1 361 . 1 1 35 35 TRP HZ2 H 1 7.301 0.020 . 1 . . . . 29 TRP HZ2 . 17300 1 362 . 1 1 35 35 TRP C C 13 175.418 0.3 . 1 . . . . 29 TRP C . 17300 1 363 . 1 1 35 35 TRP CA C 13 54.175 0.3 . 1 . . . . 29 TRP CA . 17300 1 364 . 1 1 35 35 TRP CB C 13 28.735 0.3 . 1 . . . . 29 TRP CB . 17300 1 365 . 1 1 35 35 TRP CD1 C 13 129.354 0.3 . 1 . . . . 29 TRP CD1 . 17300 1 366 . 1 1 35 35 TRP CZ2 C 13 114.594 0.3 . 1 . . . . 29 TRP CZ2 . 17300 1 367 . 1 1 35 35 TRP N N 15 111.955 0.3 . 1 . . . . 29 TRP N . 17300 1 368 . 1 1 35 35 TRP NE1 N 15 136.793 0.3 . 1 . . . . 29 TRP NE1 . 17300 1 369 . 1 1 36 36 CYS H H 1 6.552 0.020 . 1 . . . . 30 CYS H . 17300 1 370 . 1 1 36 36 CYS HA H 1 4.520 0.020 . 1 . . . . 30 CYS HA . 17300 1 371 . 1 1 36 36 CYS HB2 H 1 2.270 0.020 . 2 . . . . 30 CYS HB2 . 17300 1 372 . 1 1 36 36 CYS HB3 H 1 1.508 0.020 . 2 . . . . 30 CYS HB3 . 17300 1 373 . 1 1 36 36 CYS C C 13 175.561 0.3 . 1 . . . . 30 CYS C . 17300 1 374 . 1 1 36 36 CYS CA C 13 57.825 0.3 . 1 . . . . 30 CYS CA . 17300 1 375 . 1 1 36 36 CYS CB C 13 26.366 0.3 . 1 . . . . 30 CYS CB . 17300 1 376 . 1 1 36 36 CYS N N 15 122.309 0.3 . 1 . . . . 30 CYS N . 17300 1 377 . 1 1 37 37 GLY H H 1 9.635 0.020 . 1 . . . . 31 GLY H . 17300 1 378 . 1 1 37 37 GLY HA2 H 1 4.297 0.020 . 2 . . . . 31 GLY HA2 . 17300 1 379 . 1 1 37 37 GLY HA3 H 1 3.856 0.020 . 2 . . . . 31 GLY HA3 . 17300 1 380 . 1 1 37 37 GLY CA C 13 49.042 0.3 . 1 . . . . 31 GLY CA . 17300 1 381 . 1 1 37 37 GLY N N 15 120.453 0.3 . 1 . . . . 31 GLY N . 17300 1 382 . 1 1 38 38 PRO HA H 1 4.419 0.020 . 1 . . . . 32 PRO HA . 17300 1 383 . 1 1 38 38 PRO HB2 H 1 2.468 0.020 . 2 . . . . 32 PRO HB2 . 17300 1 384 . 1 1 38 38 PRO HB3 H 1 1.846 0.020 . 2 . . . . 32 PRO HB3 . 17300 1 385 . 1 1 38 38 PRO HG2 H 1 2.195 0.020 . 2 . . . . 32 PRO HG2 . 17300 1 386 . 1 1 38 38 PRO HG3 H 1 2.029 0.020 . 2 . . . . 32 PRO HG3 . 17300 1 387 . 1 1 38 38 PRO HD2 H 1 3.721 0.020 . 2 . . . . 32 PRO HD2 . 17300 1 388 . 1 1 38 38 PRO HD3 H 1 3.533 0.020 . 2 . . . . 32 PRO HD3 . 17300 1 389 . 1 1 38 38 PRO C C 13 178.607 0.3 . 1 . . . . 32 PRO C . 17300 1 390 . 1 1 38 38 PRO CA C 13 65.181 0.3 . 1 . . . . 32 PRO CA . 17300 1 391 . 1 1 38 38 PRO CB C 13 32.448 0.3 . 1 . . . . 32 PRO CB . 17300 1 392 . 1 1 38 38 PRO CG C 13 27.714 0.3 . 1 . . . . 32 PRO CG . 17300 1 393 . 1 1 38 38 PRO CD C 13 51.449 0.3 . 1 . . . . 32 PRO CD . 17300 1 394 . 1 1 39 39 CYS H H 1 7.730 0.020 . 1 . . . . 33 CYS H . 17300 1 395 . 1 1 39 39 CYS HA H 1 4.144 0.020 . 1 . . . . 33 CYS HA . 17300 1 396 . 1 1 39 39 CYS HB2 H 1 3.630 0.020 . 2 . . . . 33 CYS HB2 . 17300 1 397 . 1 1 39 39 CYS HB3 H 1 3.326 0.020 . 2 . . . . 33 CYS HB3 . 17300 1 398 . 1 1 39 39 CYS C C 13 177.325 0.3 . 1 . . . . 33 CYS C . 17300 1 399 . 1 1 39 39 CYS CA C 13 62.614 0.3 . 1 . . . . 33 CYS CA . 17300 1 400 . 1 1 39 39 CYS CB C 13 28.180 0.3 . 1 . . . . 33 CYS CB . 17300 1 401 . 1 1 39 39 CYS N N 15 113.128 0.3 . 1 . . . . 33 CYS N . 17300 1 402 . 1 1 40 40 ARG H H 1 8.055 0.020 . 1 . . . . 34 ARG H . 17300 1 403 . 1 1 40 40 ARG HA H 1 4.059 0.020 . 1 . . . . 34 ARG HA . 17300 1 404 . 1 1 40 40 ARG HB2 H 1 2.098 0.020 . 2 . . . . 34 ARG HB2 . 17300 1 405 . 1 1 40 40 ARG HB3 H 1 1.901 0.020 . 2 . . . . 34 ARG HB3 . 17300 1 406 . 1 1 40 40 ARG HG2 H 1 1.804 0.020 . 2 . . . . 34 ARG HG2 . 17300 1 407 . 1 1 40 40 ARG HG3 H 1 1.583 0.020 . 2 . . . . 34 ARG HG3 . 17300 1 408 . 1 1 40 40 ARG HD2 H 1 3.443 0.020 . 2 . . . . 34 ARG HD2 . 17300 1 409 . 1 1 40 40 ARG HD3 H 1 3.252 0.020 . 2 . . . . 34 ARG HD3 . 17300 1 410 . 1 1 40 40 ARG HE H 1 7.377 0.020 . 1 . . . . 34 ARG HE . 17300 1 411 . 1 1 40 40 ARG C C 13 179.498 0.3 . 1 . . . . 34 ARG C . 17300 1 412 . 1 1 40 40 ARG CA C 13 59.405 0.3 . 1 . . . . 34 ARG CA . 17300 1 413 . 1 1 40 40 ARG CB C 13 29.334 0.3 . 1 . . . . 34 ARG CB . 17300 1 414 . 1 1 40 40 ARG CG C 13 27.438 0.3 . 1 . . . . 34 ARG CG . 17300 1 415 . 1 1 40 40 ARG CD C 13 42.833 0.3 . 1 . . . . 34 ARG CD . 17300 1 416 . 1 1 40 40 ARG N N 15 121.217 0.3 . 1 . . . . 34 ARG N . 17300 1 417 . 1 1 40 40 ARG NE N 15 83.267 0.3 . 1 . . . . 34 ARG NE . 17300 1 418 . 1 1 41 41 ALA H H 1 7.945 0.020 . 1 . . . . 35 ALA H . 17300 1 419 . 1 1 41 41 ALA HA H 1 4.150 0.020 . 1 . . . . 35 ALA HA . 17300 1 420 . 1 1 41 41 ALA HB1 H 1 1.432 0.020 . 1 . . . . 35 ALA HB . 17300 1 421 . 1 1 41 41 ALA HB2 H 1 1.432 0.020 . 1 . . . . 35 ALA HB . 17300 1 422 . 1 1 41 41 ALA HB3 H 1 1.432 0.020 . 1 . . . . 35 ALA HB . 17300 1 423 . 1 1 41 41 ALA C C 13 179.284 0.3 . 1 . . . . 35 ALA C . 17300 1 424 . 1 1 41 41 ALA CA C 13 53.990 0.3 . 1 . . . . 35 ALA CA . 17300 1 425 . 1 1 41 41 ALA CB C 13 17.975 0.3 . 1 . . . . 35 ALA CB . 17300 1 426 . 1 1 41 41 ALA N N 15 119.664 0.3 . 1 . . . . 35 ALA N . 17300 1 427 . 1 1 42 42 MET H H 1 7.226 0.020 . 1 . . . . 36 MET H . 17300 1 428 . 1 1 42 42 MET HA H 1 4.162 0.020 . 1 . . . . 36 MET HA . 17300 1 429 . 1 1 42 42 MET HB2 H 1 2.033 0.020 . 2 . . . . 36 MET HB2 . 17300 1 430 . 1 1 42 42 MET HB3 H 1 1.972 0.020 . 2 . . . . 36 MET HB3 . 17300 1 431 . 1 1 42 42 MET HG2 H 1 2.658 0.020 . 2 . . . . 36 MET HG2 . 17300 1 432 . 1 1 42 42 MET HG3 H 1 2.560 0.020 . 2 . . . . 36 MET HG3 . 17300 1 433 . 1 1 42 42 MET HE1 H 1 0.835 0.020 . 1 . . . . 36 MET HE . 17300 1 434 . 1 1 42 42 MET HE2 H 1 0.835 0.020 . 1 . . . . 36 MET HE . 17300 1 435 . 1 1 42 42 MET HE3 H 1 0.835 0.020 . 1 . . . . 36 MET HE . 17300 1 436 . 1 1 42 42 MET C C 13 177.164 0.3 . 1 . . . . 36 MET C . 17300 1 437 . 1 1 42 42 MET CA C 13 56.629 0.3 . 1 . . . . 36 MET CA . 17300 1 438 . 1 1 42 42 MET CB C 13 33.409 0.3 . 1 . . . . 36 MET CB . 17300 1 439 . 1 1 42 42 MET CG C 13 31.494 0.3 . 1 . . . . 36 MET CG . 17300 1 440 . 1 1 42 42 MET CE C 13 21.181 0.3 . 1 . . . . 36 MET CE . 17300 1 441 . 1 1 42 42 MET N N 15 114.211 0.3 . 1 . . . . 36 MET N . 17300 1 442 . 1 1 43 43 GLY H H 1 7.538 0.020 . 1 . . . . 37 GLY H . 17300 1 443 . 1 1 43 43 GLY HA2 H 1 3.964 0.020 . 2 . . . . 37 GLY HA2 . 17300 1 444 . 1 1 43 43 GLY HA3 H 1 3.308 0.020 . 2 . . . . 37 GLY HA3 . 17300 1 445 . 1 1 43 43 GLY CA C 13 49.294 0.3 . 1 . . . . 37 GLY CA . 17300 1 446 . 1 1 43 43 GLY N N 15 106.832 0.3 . 1 . . . . 37 GLY N . 17300 1 447 . 1 1 44 44 PRO HA H 1 4.361 0.020 . 1 . . . . 38 PRO HA . 17300 1 448 . 1 1 44 44 PRO HB2 H 1 2.450 0.020 . 2 . . . . 38 PRO HB2 . 17300 1 449 . 1 1 44 44 PRO HB3 H 1 1.848 0.020 . 2 . . . . 38 PRO HB3 . 17300 1 450 . 1 1 44 44 PRO HG2 H 1 2.056 0.020 . 2 . . . . 38 PRO HG2 . 17300 1 451 . 1 1 44 44 PRO HG3 H 1 1.908 0.020 . 2 . . . . 38 PRO HG3 . 17300 1 452 . 1 1 44 44 PRO HD2 H 1 3.723 0.020 . 2 . . . . 38 PRO HD2 . 17300 1 453 . 1 1 44 44 PRO HD3 H 1 3.533 0.020 . 2 . . . . 38 PRO HD3 . 17300 1 454 . 1 1 44 44 PRO C C 13 179.053 0.3 . 1 . . . . 38 PRO C . 17300 1 455 . 1 1 44 44 PRO CA C 13 64.888 0.3 . 1 . . . . 38 PRO CA . 17300 1 456 . 1 1 44 44 PRO CB C 13 31.864 0.3 . 1 . . . . 38 PRO CB . 17300 1 457 . 1 1 44 44 PRO CG C 13 27.313 0.3 . 1 . . . . 38 PRO CG . 17300 1 458 . 1 1 44 44 PRO CD C 13 51.117 0.3 . 1 . . . . 38 PRO CD . 17300 1 459 . 1 1 45 45 VAL H H 1 6.678 0.020 . 1 . . . . 39 VAL H . 17300 1 460 . 1 1 45 45 VAL HA H 1 3.666 0.020 . 1 . . . . 39 VAL HA . 17300 1 461 . 1 1 45 45 VAL HB H 1 2.281 0.020 . 1 . . . . 39 VAL HB . 17300 1 462 . 1 1 45 45 VAL HG11 H 1 1.092 0.020 . 1 . . . . 39 VAL HG1 . 17300 1 463 . 1 1 45 45 VAL HG12 H 1 1.092 0.020 . 1 . . . . 39 VAL HG1 . 17300 1 464 . 1 1 45 45 VAL HG13 H 1 1.092 0.020 . 1 . . . . 39 VAL HG1 . 17300 1 465 . 1 1 45 45 VAL HG21 H 1 0.839 0.020 . 1 . . . . 39 VAL HG2 . 17300 1 466 . 1 1 45 45 VAL HG22 H 1 0.839 0.020 . 1 . . . . 39 VAL HG2 . 17300 1 467 . 1 1 45 45 VAL HG23 H 1 0.839 0.020 . 1 . . . . 39 VAL HG2 . 17300 1 468 . 1 1 45 45 VAL C C 13 177.699 0.3 . 1 . . . . 39 VAL C . 17300 1 469 . 1 1 45 45 VAL CA C 13 65.579 0.3 . 1 . . . . 39 VAL CA . 17300 1 470 . 1 1 45 45 VAL CB C 13 31.684 0.3 . 1 . . . . 39 VAL CB . 17300 1 471 . 1 1 45 45 VAL CG1 C 13 21.884 0.3 . 1 . . . . 39 VAL CG1 . 17300 1 472 . 1 1 45 45 VAL CG2 C 13 20.596 0.3 . 1 . . . . 39 VAL CG2 . 17300 1 473 . 1 1 45 45 VAL N N 15 117.695 0.3 . 1 . . . . 39 VAL N . 17300 1 474 . 1 1 46 46 ILE H H 1 7.921 0.020 . 1 . . . . 40 ILE H . 17300 1 475 . 1 1 46 46 ILE HA H 1 3.641 0.020 . 1 . . . . 40 ILE HA . 17300 1 476 . 1 1 46 46 ILE HB H 1 2.105 0.020 . 1 . . . . 40 ILE HB . 17300 1 477 . 1 1 46 46 ILE HG12 H 1 1.536 0.020 . 2 . . . . 40 ILE HG12 . 17300 1 478 . 1 1 46 46 ILE HG13 H 1 1.214 0.020 . 2 . . . . 40 ILE HG13 . 17300 1 479 . 1 1 46 46 ILE HG21 H 1 0.580 0.020 . 1 . . . . 40 ILE HG2 . 17300 1 480 . 1 1 46 46 ILE HG22 H 1 0.580 0.020 . 1 . . . . 40 ILE HG2 . 17300 1 481 . 1 1 46 46 ILE HG23 H 1 0.580 0.020 . 1 . . . . 40 ILE HG2 . 17300 1 482 . 1 1 46 46 ILE HD11 H 1 0.515 0.020 . 1 . . . . 40 ILE HD1 . 17300 1 483 . 1 1 46 46 ILE HD12 H 1 0.515 0.020 . 1 . . . . 40 ILE HD1 . 17300 1 484 . 1 1 46 46 ILE HD13 H 1 0.515 0.020 . 1 . . . . 40 ILE HD1 . 17300 1 485 . 1 1 46 46 ILE C C 13 177.716 0.3 . 1 . . . . 40 ILE C . 17300 1 486 . 1 1 46 46 ILE CA C 13 61.505 0.3 . 1 . . . . 40 ILE CA . 17300 1 487 . 1 1 46 46 ILE CB C 13 34.399 0.3 . 1 . . . . 40 ILE CB . 17300 1 488 . 1 1 46 46 ILE CG1 C 13 25.919 0.3 . 1 . . . . 40 ILE CG1 . 17300 1 489 . 1 1 46 46 ILE CG2 C 13 16.533 0.3 . 1 . . . . 40 ILE CG2 . 17300 1 490 . 1 1 46 46 ILE CD1 C 13 8.144 0.3 . 1 . . . . 40 ILE CD1 . 17300 1 491 . 1 1 46 46 ILE N N 15 120.243 0.3 . 1 . . . . 40 ILE N . 17300 1 492 . 1 1 47 47 ASP H H 1 7.742 0.020 . 1 . . . . 41 ASP H . 17300 1 493 . 1 1 47 47 ASP HA H 1 4.333 0.020 . 1 . . . . 41 ASP HA . 17300 1 494 . 1 1 47 47 ASP HB2 H 1 2.810 0.020 . 2 . . . . 41 ASP HB2 . 17300 1 495 . 1 1 47 47 ASP HB3 H 1 2.704 0.020 . 2 . . . . 41 ASP HB3 . 17300 1 496 . 1 1 47 47 ASP C C 13 178.385 0.3 . 1 . . . . 41 ASP C . 17300 1 497 . 1 1 47 47 ASP CA C 13 58.154 0.3 . 1 . . . . 41 ASP CA . 17300 1 498 . 1 1 47 47 ASP CB C 13 40.223 0.3 . 1 . . . . 41 ASP CB . 17300 1 499 . 1 1 47 47 ASP CG C 13 179.732 0.3 . 1 . . . . 41 ASP CG . 17300 1 500 . 1 1 47 47 ASP N N 15 119.368 0.3 . 1 . . . . 41 ASP N . 17300 1 501 . 1 1 48 48 GLU H H 1 7.948 0.020 . 1 . . . . 42 GLU H . 17300 1 502 . 1 1 48 48 GLU HA H 1 3.975 0.020 . 1 . . . . 42 GLU HA . 17300 1 503 . 1 1 48 48 GLU HB2 H 1 2.245 0.020 . 2 . . . . 42 GLU HB2 . 17300 1 504 . 1 1 48 48 GLU HB3 H 1 1.980 0.020 . 2 . . . . 42 GLU HB3 . 17300 1 505 . 1 1 48 48 GLU HG2 H 1 2.503 0.020 . 2 . . . . 42 GLU HG2 . 17300 1 506 . 1 1 48 48 GLU HG3 H 1 2.189 0.020 . 2 . . . . 42 GLU HG3 . 17300 1 507 . 1 1 48 48 GLU C C 13 180.229 0.3 . 1 . . . . 42 GLU C . 17300 1 508 . 1 1 48 48 GLU CA C 13 59.267 0.3 . 1 . . . . 42 GLU CA . 17300 1 509 . 1 1 48 48 GLU CB C 13 29.131 0.3 . 1 . . . . 42 GLU CB . 17300 1 510 . 1 1 48 48 GLU CG C 13 35.978 0.3 . 1 . . . . 42 GLU CG . 17300 1 511 . 1 1 48 48 GLU CD C 13 183.400 0.3 . 1 . . . . 42 GLU CD . 17300 1 512 . 1 1 48 48 GLU N N 15 120.046 0.3 . 1 . . . . 42 GLU N . 17300 1 513 . 1 1 49 49 LEU H H 1 8.522 0.020 . 1 . . . . 43 LEU H . 17300 1 514 . 1 1 49 49 LEU HA H 1 4.149 0.020 . 1 . . . . 43 LEU HA . 17300 1 515 . 1 1 49 49 LEU HB2 H 1 1.986 0.020 . 2 . . . . 43 LEU HB2 . 17300 1 516 . 1 1 49 49 LEU HB3 H 1 1.228 0.020 . 2 . . . . 43 LEU HB3 . 17300 1 517 . 1 1 49 49 LEU HG H 1 1.919 0.020 . 1 . . . . 43 LEU HG . 17300 1 518 . 1 1 49 49 LEU HD11 H 1 0.774 0.020 . 1 . . . . 43 LEU HD1 . 17300 1 519 . 1 1 49 49 LEU HD12 H 1 0.774 0.020 . 1 . . . . 43 LEU HD1 . 17300 1 520 . 1 1 49 49 LEU HD13 H 1 0.774 0.020 . 1 . . . . 43 LEU HD1 . 17300 1 521 . 1 1 49 49 LEU HD21 H 1 0.908 0.020 . 1 . . . . 43 LEU HD2 . 17300 1 522 . 1 1 49 49 LEU HD22 H 1 0.908 0.020 . 1 . . . . 43 LEU HD2 . 17300 1 523 . 1 1 49 49 LEU HD23 H 1 0.908 0.020 . 1 . . . . 43 LEU HD2 . 17300 1 524 . 1 1 49 49 LEU C C 13 178.287 0.3 . 1 . . . . 43 LEU C . 17300 1 525 . 1 1 49 49 LEU CA C 13 57.415 0.3 . 1 . . . . 43 LEU CA . 17300 1 526 . 1 1 49 49 LEU CB C 13 42.005 0.3 . 1 . . . . 43 LEU CB . 17300 1 527 . 1 1 49 49 LEU CG C 13 26.145 0.3 . 1 . . . . 43 LEU CG . 17300 1 528 . 1 1 49 49 LEU CD1 C 13 27.095 0.3 . 1 . . . . 43 LEU CD1 . 17300 1 529 . 1 1 49 49 LEU CD2 C 13 23.787 0.3 . 1 . . . . 43 LEU CD2 . 17300 1 530 . 1 1 49 49 LEU N N 15 119.778 0.3 . 1 . . . . 43 LEU N . 17300 1 531 . 1 1 50 50 ALA H H 1 8.696 0.020 . 1 . . . . 44 ALA H . 17300 1 532 . 1 1 50 50 ALA HA H 1 4.176 0.020 . 1 . . . . 44 ALA HA . 17300 1 533 . 1 1 50 50 ALA HB1 H 1 1.532 0.020 . 1 . . . . 44 ALA HB . 17300 1 534 . 1 1 50 50 ALA HB2 H 1 1.532 0.020 . 1 . . . . 44 ALA HB . 17300 1 535 . 1 1 50 50 ALA HB3 H 1 1.532 0.020 . 1 . . . . 44 ALA HB . 17300 1 536 . 1 1 50 50 ALA C C 13 180.335 0.3 . 1 . . . . 44 ALA C . 17300 1 537 . 1 1 50 50 ALA CA C 13 54.880 0.3 . 1 . . . . 44 ALA CA . 17300 1 538 . 1 1 50 50 ALA CB C 13 17.356 0.3 . 1 . . . . 44 ALA CB . 17300 1 539 . 1 1 50 50 ALA N N 15 121.663 0.3 . 1 . . . . 44 ALA N . 17300 1 540 . 1 1 51 51 ALA H H 1 7.232 0.020 . 1 . . . . 45 ALA H . 17300 1 541 . 1 1 51 51 ALA HA H 1 4.073 0.020 . 1 . . . . 45 ALA HA . 17300 1 542 . 1 1 51 51 ALA HB1 H 1 1.324 0.020 . 1 . . . . 45 ALA HB . 17300 1 543 . 1 1 51 51 ALA HB2 H 1 1.324 0.020 . 1 . . . . 45 ALA HB . 17300 1 544 . 1 1 51 51 ALA HB3 H 1 1.324 0.020 . 1 . . . . 45 ALA HB . 17300 1 545 . 1 1 51 51 ALA C C 13 180.157 0.3 . 1 . . . . 45 ALA C . 17300 1 546 . 1 1 51 51 ALA CA C 13 54.295 0.3 . 1 . . . . 45 ALA CA . 17300 1 547 . 1 1 51 51 ALA CB C 13 17.990 0.3 . 1 . . . . 45 ALA CB . 17300 1 548 . 1 1 51 51 ALA N N 15 118.087 0.3 . 1 . . . . 45 ALA N . 17300 1 549 . 1 1 52 52 GLU H H 1 8.009 0.020 . 1 . . . . 46 GLU H . 17300 1 550 . 1 1 52 52 GLU HA H 1 3.832 0.020 . 1 . . . . 46 GLU HA . 17300 1 551 . 1 1 52 52 GLU HB2 H 1 1.992 0.020 . 2 . . . . 46 GLU HB2 . 17300 1 552 . 1 1 52 52 GLU HB3 H 1 1.722 0.020 . 2 . . . . 46 GLU HB3 . 17300 1 553 . 1 1 52 52 GLU HG2 H 1 2.125 0.020 . 2 . . . . 46 GLU HG2 . 17300 1 554 . 1 1 52 52 GLU HG3 H 1 1.589 0.020 . 2 . . . . 46 GLU HG3 . 17300 1 555 . 1 1 52 52 GLU C C 13 178.465 0.3 . 1 . . . . 46 GLU C . 17300 1 556 . 1 1 52 52 GLU CA C 13 58.930 0.3 . 1 . . . . 46 GLU CA . 17300 1 557 . 1 1 52 52 GLU CB C 13 29.527 0.3 . 1 . . . . 46 GLU CB . 17300 1 558 . 1 1 52 52 GLU CG C 13 35.258 0.3 . 1 . . . . 46 GLU CG . 17300 1 559 . 1 1 52 52 GLU CD C 13 182.294 0.3 . 1 . . . . 46 GLU CD . 17300 1 560 . 1 1 52 52 GLU N N 15 119.641 0.3 . 1 . . . . 46 GLU N . 17300 1 561 . 1 1 53 53 TYR H H 1 8.228 0.020 . 1 . . . . 47 TYR H . 17300 1 562 . 1 1 53 53 TYR HA H 1 4.390 0.020 . 1 . . . . 47 TYR HA . 17300 1 563 . 1 1 53 53 TYR HB2 H 1 3.493 0.020 . 2 . . . . 47 TYR HB2 . 17300 1 564 . 1 1 53 53 TYR HB3 H 1 2.650 0.020 . 2 . . . . 47 TYR HB3 . 17300 1 565 . 1 1 53 53 TYR HD1 H 1 7.125 0.020 . 1 . . . . 47 TYR HD1 . 17300 1 566 . 1 1 53 53 TYR HD2 H 1 7.125 0.020 . 1 . . . . 47 TYR HD2 . 17300 1 567 . 1 1 53 53 TYR HE1 H 1 6.630 0.020 . 1 . . . . 47 TYR HE1 . 17300 1 568 . 1 1 53 53 TYR HE2 H 1 6.630 0.020 . 1 . . . . 47 TYR HE2 . 17300 1 569 . 1 1 53 53 TYR C C 13 174.082 0.3 . 1 . . . . 47 TYR C . 17300 1 570 . 1 1 53 53 TYR CA C 13 58.920 0.3 . 1 . . . . 47 TYR CA . 17300 1 571 . 1 1 53 53 TYR CB C 13 37.608 0.3 . 1 . . . . 47 TYR CB . 17300 1 572 . 1 1 53 53 TYR CE1 C 13 117.957 0.3 . 1 . . . . 47 TYR CE1 . 17300 1 573 . 1 1 53 53 TYR CE2 C 13 118.968 0.3 . 1 . . . . 47 TYR CE2 . 17300 1 574 . 1 1 53 53 TYR N N 15 112.892 0.3 . 1 . . . . 47 TYR N . 17300 1 575 . 1 1 54 54 GLU H H 1 7.013 0.020 . 1 . . . . 48 GLU H . 17300 1 576 . 1 1 54 54 GLU HA H 1 4.071 0.020 . 1 . . . . 48 GLU HA . 17300 1 577 . 1 1 54 54 GLU HB2 H 1 1.929 0.020 . 2 . . . . 48 GLU HB2 . 17300 1 578 . 1 1 54 54 GLU HB3 H 1 1.819 0.020 . 2 . . . . 48 GLU HB3 . 17300 1 579 . 1 1 54 54 GLU HG2 H 1 2.290 0.020 . 2 . . . . 48 GLU HG2 . 17300 1 580 . 1 1 54 54 GLU HG3 H 1 1.588 0.020 . 2 . . . . 48 GLU HG3 . 17300 1 581 . 1 1 54 54 GLU C C 13 177.129 0.3 . 1 . . . . 48 GLU C . 17300 1 582 . 1 1 54 54 GLU CA C 13 58.920 0.3 . 1 . . . . 48 GLU CA . 17300 1 583 . 1 1 54 54 GLU CB C 13 29.290 0.3 . 1 . . . . 48 GLU CB . 17300 1 584 . 1 1 54 54 GLU CG C 13 35.017 0.3 . 1 . . . . 48 GLU CG . 17300 1 585 . 1 1 54 54 GLU CD C 13 183.345 0.3 . 1 . . . . 48 GLU CD . 17300 1 586 . 1 1 54 54 GLU N N 15 123.280 0.3 . 1 . . . . 48 GLU N . 17300 1 587 . 1 1 55 55 GLY H H 1 9.398 0.020 . 1 . . . . 49 GLY H . 17300 1 588 . 1 1 55 55 GLY HA2 H 1 4.298 0.020 . 2 . . . . 49 GLY HA2 . 17300 1 589 . 1 1 55 55 GLY HA3 H 1 3.601 0.020 . 2 . . . . 49 GLY HA3 . 17300 1 590 . 1 1 55 55 GLY C C 13 173.316 0.3 . 1 . . . . 49 GLY C . 17300 1 591 . 1 1 55 55 GLY CA C 13 45.174 0.3 . 1 . . . . 49 GLY CA . 17300 1 592 . 1 1 55 55 GLY N N 15 116.564 0.3 . 1 . . . . 49 GLY N . 17300 1 593 . 1 1 56 56 LYS H H 1 8.586 0.020 . 1 . . . . 50 LYS H . 17300 1 594 . 1 1 56 56 LYS HA H 1 4.524 0.020 . 1 . . . . 50 LYS HA . 17300 1 595 . 1 1 56 56 LYS HB2 H 1 1.933 0.020 . 2 . . . . 50 LYS HB2 . 17300 1 596 . 1 1 56 56 LYS HB3 H 1 1.898 0.020 . 2 . . . . 50 LYS HB3 . 17300 1 597 . 1 1 56 56 LYS HG2 H 1 1.435 0.020 . 2 . . . . 50 LYS HG2 . 17300 1 598 . 1 1 56 56 LYS HG3 H 1 1.392 0.020 . 2 . . . . 50 LYS HG3 . 17300 1 599 . 1 1 56 56 LYS HD2 H 1 1.796 0.020 . 2 . . . . 50 LYS HD2 . 17300 1 600 . 1 1 56 56 LYS HD3 H 1 1.715 0.020 . 2 . . . . 50 LYS HD3 . 17300 1 601 . 1 1 56 56 LYS HE2 H 1 2.981 0.020 . 2 . . . . 50 LYS HE2 . 17300 1 602 . 1 1 56 56 LYS HE3 H 1 2.905 0.020 . 2 . . . . 50 LYS HE3 . 17300 1 603 . 1 1 56 56 LYS C C 13 175.650 0.3 . 1 . . . . 50 LYS C . 17300 1 604 . 1 1 56 56 LYS CA C 13 57.177 0.3 . 1 . . . . 50 LYS CA . 17300 1 605 . 1 1 56 56 LYS CB C 13 34.994 0.3 . 1 . . . . 50 LYS CB . 17300 1 606 . 1 1 56 56 LYS CG C 13 24.877 0.3 . 1 . . . . 50 LYS CG . 17300 1 607 . 1 1 56 56 LYS CD C 13 29.102 0.3 . 1 . . . . 50 LYS CD . 17300 1 608 . 1 1 56 56 LYS CE C 13 41.883 0.3 . 1 . . . . 50 LYS CE . 17300 1 609 . 1 1 56 56 LYS N N 15 119.414 0.3 . 1 . . . . 50 LYS N . 17300 1 610 . 1 1 57 57 VAL H H 1 8.195 0.020 . 1 . . . . 51 VAL H . 17300 1 611 . 1 1 57 57 VAL HA H 1 4.143 0.020 . 1 . . . . 51 VAL HA . 17300 1 612 . 1 1 57 57 VAL HB H 1 1.655 0.020 . 1 . . . . 51 VAL HB . 17300 1 613 . 1 1 57 57 VAL HG11 H 1 0.699 0.020 . 1 . . . . 51 VAL HG1 . 17300 1 614 . 1 1 57 57 VAL HG12 H 1 0.699 0.020 . 1 . . . . 51 VAL HG1 . 17300 1 615 . 1 1 57 57 VAL HG13 H 1 0.699 0.020 . 1 . . . . 51 VAL HG1 . 17300 1 616 . 1 1 57 57 VAL HG21 H 1 0.478 0.020 . 1 . . . . 51 VAL HG2 . 17300 1 617 . 1 1 57 57 VAL HG22 H 1 0.478 0.020 . 1 . . . . 51 VAL HG2 . 17300 1 618 . 1 1 57 57 VAL HG23 H 1 0.478 0.020 . 1 . . . . 51 VAL HG2 . 17300 1 619 . 1 1 57 57 VAL C C 13 174.331 0.3 . 1 . . . . 51 VAL C . 17300 1 620 . 1 1 57 57 VAL CA C 13 60.752 0.3 . 1 . . . . 51 VAL CA . 17300 1 621 . 1 1 57 57 VAL CB C 13 36.103 0.3 . 1 . . . . 51 VAL CB . 17300 1 622 . 1 1 57 57 VAL CG1 C 13 22.287 0.3 . 1 . . . . 51 VAL CG1 . 17300 1 623 . 1 1 57 57 VAL CG2 C 13 20.490 0.3 . 1 . . . . 51 VAL CG2 . 17300 1 624 . 1 1 57 57 VAL N N 15 116.337 0.3 . 1 . . . . 51 VAL N . 17300 1 625 . 1 1 58 58 LEU H H 1 9.038 0.020 . 1 . . . . 52 LEU H . 17300 1 626 . 1 1 58 58 LEU HA H 1 4.348 0.020 . 1 . . . . 52 LEU HA . 17300 1 627 . 1 1 58 58 LEU HB2 H 1 1.993 0.020 . 2 . . . . 52 LEU HB2 . 17300 1 628 . 1 1 58 58 LEU HB3 H 1 1.265 0.020 . 2 . . . . 52 LEU HB3 . 17300 1 629 . 1 1 58 58 LEU HG H 1 1.361 0.020 . 1 . . . . 52 LEU HG . 17300 1 630 . 1 1 58 58 LEU HD11 H 1 0.824 0.020 . 1 . . . . 52 LEU HD1 . 17300 1 631 . 1 1 58 58 LEU HD12 H 1 0.824 0.020 . 1 . . . . 52 LEU HD1 . 17300 1 632 . 1 1 58 58 LEU HD13 H 1 0.824 0.020 . 1 . . . . 52 LEU HD1 . 17300 1 633 . 1 1 58 58 LEU HD21 H 1 0.874 0.020 . 1 . . . . 52 LEU HD2 . 17300 1 634 . 1 1 58 58 LEU HD22 H 1 0.874 0.020 . 1 . . . . 52 LEU HD2 . 17300 1 635 . 1 1 58 58 LEU HD23 H 1 0.874 0.020 . 1 . . . . 52 LEU HD2 . 17300 1 636 . 1 1 58 58 LEU C C 13 173.833 0.3 . 1 . . . . 52 LEU C . 17300 1 637 . 1 1 58 58 LEU CA C 13 54.567 0.3 . 1 . . . . 52 LEU CA . 17300 1 638 . 1 1 58 58 LEU CB C 13 41.456 0.3 . 1 . . . . 52 LEU CB . 17300 1 639 . 1 1 58 58 LEU CG C 13 27.125 0.3 . 1 . . . . 52 LEU CG . 17300 1 640 . 1 1 58 58 LEU CD1 C 13 25.058 0.3 . 1 . . . . 52 LEU CD1 . 17300 1 641 . 1 1 58 58 LEU CD2 C 13 22.659 0.3 . 1 . . . . 52 LEU CD2 . 17300 1 642 . 1 1 58 58 LEU N N 15 130.193 0.3 . 1 . . . . 52 LEU N . 17300 1 643 . 1 1 59 59 ILE H H 1 7.826 0.020 . 1 . . . . 53 ILE H . 17300 1 644 . 1 1 59 59 ILE HA H 1 5.197 0.020 . 1 . . . . 53 ILE HA . 17300 1 645 . 1 1 59 59 ILE HB H 1 1.659 0.020 . 1 . . . . 53 ILE HB . 17300 1 646 . 1 1 59 59 ILE HG12 H 1 1.554 0.020 . 2 . . . . 53 ILE HG12 . 17300 1 647 . 1 1 59 59 ILE HG13 H 1 0.948 0.020 . 2 . . . . 53 ILE HG13 . 17300 1 648 . 1 1 59 59 ILE HG21 H 1 0.783 0.020 . 1 . . . . 53 ILE HG2 . 17300 1 649 . 1 1 59 59 ILE HG22 H 1 0.783 0.020 . 1 . . . . 53 ILE HG2 . 17300 1 650 . 1 1 59 59 ILE HG23 H 1 0.783 0.020 . 1 . . . . 53 ILE HG2 . 17300 1 651 . 1 1 59 59 ILE HD11 H 1 0.555 0.020 . 1 . . . . 53 ILE HD1 . 17300 1 652 . 1 1 59 59 ILE HD12 H 1 0.555 0.020 . 1 . . . . 53 ILE HD1 . 17300 1 653 . 1 1 59 59 ILE HD13 H 1 0.555 0.020 . 1 . . . . 53 ILE HD1 . 17300 1 654 . 1 1 59 59 ILE C C 13 174.599 0.3 . 1 . . . . 53 ILE C . 17300 1 655 . 1 1 59 59 ILE CA C 13 60.772 0.3 . 1 . . . . 53 ILE CA . 17300 1 656 . 1 1 59 59 ILE CB C 13 37.209 0.3 . 1 . . . . 53 ILE CB . 17300 1 657 . 1 1 59 59 ILE CG1 C 13 27.253 0.3 . 1 . . . . 53 ILE CG1 . 17300 1 658 . 1 1 59 59 ILE CG2 C 13 17.000 0.3 . 1 . . . . 53 ILE CG2 . 17300 1 659 . 1 1 59 59 ILE CD1 C 13 13.266 0.3 . 1 . . . . 53 ILE CD1 . 17300 1 660 . 1 1 59 59 ILE N N 15 129.199 0.3 . 1 . . . . 53 ILE N . 17300 1 661 . 1 1 60 60 VAL H H 1 8.603 0.020 . 1 . . . . 54 VAL H . 17300 1 662 . 1 1 60 60 VAL HA H 1 5.093 0.020 . 1 . . . . 54 VAL HA . 17300 1 663 . 1 1 60 60 VAL HB H 1 2.106 0.020 . 1 . . . . 54 VAL HB . 17300 1 664 . 1 1 60 60 VAL HG11 H 1 0.745 0.020 . 1 . . . . 54 VAL HG1 . 17300 1 665 . 1 1 60 60 VAL HG12 H 1 0.745 0.020 . 1 . . . . 54 VAL HG1 . 17300 1 666 . 1 1 60 60 VAL HG13 H 1 0.745 0.020 . 1 . . . . 54 VAL HG1 . 17300 1 667 . 1 1 60 60 VAL HG21 H 1 0.421 0.020 . 1 . . . . 54 VAL HG2 . 17300 1 668 . 1 1 60 60 VAL HG22 H 1 0.421 0.020 . 1 . . . . 54 VAL HG2 . 17300 1 669 . 1 1 60 60 VAL HG23 H 1 0.421 0.020 . 1 . . . . 54 VAL HG2 . 17300 1 670 . 1 1 60 60 VAL C C 13 173.975 0.3 . 1 . . . . 54 VAL C . 17300 1 671 . 1 1 60 60 VAL CA C 13 58.092 0.3 . 1 . . . . 54 VAL CA . 17300 1 672 . 1 1 60 60 VAL CB C 13 36.935 0.3 . 1 . . . . 54 VAL CB . 17300 1 673 . 1 1 60 60 VAL CG1 C 13 22.422 0.3 . 1 . . . . 54 VAL CG1 . 17300 1 674 . 1 1 60 60 VAL CG2 C 13 18.224 0.3 . 1 . . . . 54 VAL CG2 . 17300 1 675 . 1 1 60 60 VAL N N 15 117.563 0.3 . 1 . . . . 54 VAL N . 17300 1 676 . 1 1 61 61 LYS H H 1 8.783 0.020 . 1 . . . . 55 LYS H . 17300 1 677 . 1 1 61 61 LYS HA H 1 5.187 0.020 . 1 . . . . 55 LYS HA . 17300 1 678 . 1 1 61 61 LYS HB2 H 1 1.768 0.020 . 2 . . . . 55 LYS HB2 . 17300 1 679 . 1 1 61 61 LYS HB3 H 1 1.656 0.020 . 2 . . . . 55 LYS HB3 . 17300 1 680 . 1 1 61 61 LYS HG2 H 1 1.237 0.020 . 2 . . . . 55 LYS HG2 . 17300 1 681 . 1 1 61 61 LYS HG3 H 1 1.166 0.020 . 2 . . . . 55 LYS HG3 . 17300 1 682 . 1 1 61 61 LYS HD2 H 1 1.059 0.020 . 2 . . . . 55 LYS HD2 . 17300 1 683 . 1 1 61 61 LYS HD3 H 1 1.006 0.020 . 2 . . . . 55 LYS HD3 . 17300 1 684 . 1 1 61 61 LYS HE2 H 1 2.307 0.020 . 2 . . . . 55 LYS HE2 . 17300 1 685 . 1 1 61 61 LYS HE3 H 1 2.285 0.020 . 2 . . . . 55 LYS HE3 . 17300 1 686 . 1 1 61 61 LYS C C 13 174.438 0.3 . 1 . . . . 55 LYS C . 17300 1 687 . 1 1 61 61 LYS CA C 13 54.256 0.3 . 1 . . . . 55 LYS CA . 17300 1 688 . 1 1 61 61 LYS CB C 13 37.291 0.3 . 1 . . . . 55 LYS CB . 17300 1 689 . 1 1 61 61 LYS CG C 13 24.499 0.3 . 1 . . . . 55 LYS CG . 17300 1 690 . 1 1 61 61 LYS CD C 13 29.989 0.3 . 1 . . . . 55 LYS CD . 17300 1 691 . 1 1 61 61 LYS CE C 13 41.359 0.3 . 1 . . . . 55 LYS CE . 17300 1 692 . 1 1 61 61 LYS N N 15 117.093 0.3 . 1 . . . . 55 LYS N . 17300 1 693 . 1 1 62 62 MET H H 1 8.917 0.020 . 1 . . . . 56 MET H . 17300 1 694 . 1 1 62 62 MET HA H 1 4.443 0.020 . 1 . . . . 56 MET HA . 17300 1 695 . 1 1 62 62 MET HB2 H 1 1.768 0.020 . 2 . . . . 56 MET HB2 . 17300 1 696 . 1 1 62 62 MET HB3 H 1 1.723 0.020 . 2 . . . . 56 MET HB3 . 17300 1 697 . 1 1 62 62 MET HG2 H 1 1.898 0.020 . 2 . . . . 56 MET HG2 . 17300 1 698 . 1 1 62 62 MET HG3 H 1 1.364 0.020 . 2 . . . . 56 MET HG3 . 17300 1 699 . 1 1 62 62 MET HE1 H 1 0.540 0.020 . 1 . . . . 56 MET HE . 17300 1 700 . 1 1 62 62 MET HE2 H 1 0.540 0.020 . 1 . . . . 56 MET HE . 17300 1 701 . 1 1 62 62 MET HE3 H 1 0.540 0.020 . 1 . . . . 56 MET HE . 17300 1 702 . 1 1 62 62 MET C C 13 172.799 0.3 . 1 . . . . 56 MET C . 17300 1 703 . 1 1 62 62 MET CA C 13 55.144 0.3 . 1 . . . . 56 MET CA . 17300 1 704 . 1 1 62 62 MET CB C 13 37.539 0.3 . 1 . . . . 56 MET CB . 17300 1 705 . 1 1 62 62 MET CG C 13 29.162 0.3 . 1 . . . . 56 MET CG . 17300 1 706 . 1 1 62 62 MET CE C 13 13.153 0.3 . 1 . . . . 56 MET CE . 17300 1 707 . 1 1 62 62 MET N N 15 119.272 0.3 . 1 . . . . 56 MET N . 17300 1 708 . 1 1 63 63 ASN H H 1 8.897 0.020 . 1 . . . . 57 ASN H . 17300 1 709 . 1 1 63 63 ASN HA H 1 3.909 0.020 . 1 . . . . 57 ASN HA . 17300 1 710 . 1 1 63 63 ASN HB2 H 1 2.732 0.020 . 2 . . . . 57 ASN HB2 . 17300 1 711 . 1 1 63 63 ASN HB3 H 1 2.469 0.020 . 2 . . . . 57 ASN HB3 . 17300 1 712 . 1 1 63 63 ASN HD21 H 1 6.882 0.020 . 1 . . . . 57 ASN HD21 . 17300 1 713 . 1 1 63 63 ASN HD22 H 1 6.802 0.020 . 1 . . . . 57 ASN HD22 . 17300 1 714 . 1 1 63 63 ASN C C 13 178.304 0.3 . 1 . . . . 57 ASN C . 17300 1 715 . 1 1 63 63 ASN CA C 13 51.351 0.3 . 1 . . . . 57 ASN CA . 17300 1 716 . 1 1 63 63 ASN CB C 13 37.178 0.3 . 1 . . . . 57 ASN CB . 17300 1 717 . 1 1 63 63 ASN CG C 13 174.639 0.3 . 1 . . . . 57 ASN CG . 17300 1 718 . 1 1 63 63 ASN N N 15 127.269 0.3 . 1 . . . . 57 ASN N . 17300 1 719 . 1 1 63 63 ASN ND2 N 15 109.645 0.3 . 1 . . . . 57 ASN ND2 . 17300 1 720 . 1 1 64 64 VAL H H 1 8.853 0.020 . 1 . . . . 58 VAL H . 17300 1 721 . 1 1 64 64 VAL HA H 1 3.994 0.020 . 1 . . . . 58 VAL HA . 17300 1 722 . 1 1 64 64 VAL HB H 1 2.337 0.020 . 1 . . . . 58 VAL HB . 17300 1 723 . 1 1 64 64 VAL HG11 H 1 1.124 0.020 . 1 . . . . 58 VAL HG1 . 17300 1 724 . 1 1 64 64 VAL HG12 H 1 1.124 0.020 . 1 . . . . 58 VAL HG1 . 17300 1 725 . 1 1 64 64 VAL HG13 H 1 1.124 0.020 . 1 . . . . 58 VAL HG1 . 17300 1 726 . 1 1 64 64 VAL HG21 H 1 0.862 0.020 . 1 . . . . 58 VAL HG2 . 17300 1 727 . 1 1 64 64 VAL HG22 H 1 0.862 0.020 . 1 . . . . 58 VAL HG2 . 17300 1 728 . 1 1 64 64 VAL HG23 H 1 0.862 0.020 . 1 . . . . 58 VAL HG2 . 17300 1 729 . 1 1 64 64 VAL C C 13 176.558 0.3 . 1 . . . . 58 VAL C . 17300 1 730 . 1 1 64 64 VAL CA C 13 63.683 0.3 . 1 . . . . 58 VAL CA . 17300 1 731 . 1 1 64 64 VAL CB C 13 30.874 0.3 . 1 . . . . 58 VAL CB . 17300 1 732 . 1 1 64 64 VAL CG1 C 13 23.294 0.3 . 1 . . . . 58 VAL CG1 . 17300 1 733 . 1 1 64 64 VAL CG2 C 13 17.378 0.3 . 1 . . . . 58 VAL CG2 . 17300 1 734 . 1 1 64 64 VAL N N 15 122.189 0.3 . 1 . . . . 58 VAL N . 17300 1 735 . 1 1 65 65 ASP H H 1 8.117 0.020 . 1 . . . . 59 ASP H . 17300 1 736 . 1 1 65 65 ASP HA H 1 4.390 0.020 . 1 . . . . 59 ASP HA . 17300 1 737 . 1 1 65 65 ASP HB2 H 1 2.759 0.020 . 2 . . . . 59 ASP HB2 . 17300 1 738 . 1 1 65 65 ASP HB3 H 1 2.565 0.020 . 2 . . . . 59 ASP HB3 . 17300 1 739 . 1 1 65 65 ASP C C 13 177.841 0.3 . 1 . . . . 59 ASP C . 17300 1 740 . 1 1 65 65 ASP CA C 13 56.385 0.3 . 1 . . . . 59 ASP CA . 17300 1 741 . 1 1 65 65 ASP CB C 13 39.391 0.3 . 1 . . . . 59 ASP CB . 17300 1 742 . 1 1 65 65 ASP N N 15 121.742 0.3 . 1 . . . . 59 ASP N . 17300 1 743 . 1 1 66 66 ASP H H 1 6.662 0.020 . 1 . . . . 60 ASP H . 17300 1 744 . 1 1 66 66 ASP HA H 1 4.669 0.020 . 1 . . . . 60 ASP HA . 17300 1 745 . 1 1 66 66 ASP HB2 H 1 2.836 0.020 . 2 . . . . 60 ASP HB2 . 17300 1 746 . 1 1 66 66 ASP HB3 H 1 2.256 0.020 . 2 . . . . 60 ASP HB3 . 17300 1 747 . 1 1 66 66 ASP C C 13 175.240 0.3 . 1 . . . . 60 ASP C . 17300 1 748 . 1 1 66 66 ASP CA C 13 53.612 0.3 . 1 . . . . 60 ASP CA . 17300 1 749 . 1 1 66 66 ASP CB C 13 42.322 0.3 . 1 . . . . 60 ASP CB . 17300 1 750 . 1 1 66 66 ASP CG C 13 178.636 0.3 . 1 . . . . 60 ASP CG . 17300 1 751 . 1 1 66 66 ASP N N 15 115.130 0.3 . 1 . . . . 60 ASP N . 17300 1 752 . 1 1 67 67 ASN H H 1 6.862 0.020 . 1 . . . . 61 ASN H . 17300 1 753 . 1 1 67 67 ASN HA H 1 5.207 0.020 . 1 . . . . 61 ASN HA . 17300 1 754 . 1 1 67 67 ASN HB2 H 1 2.754 0.020 . 2 . . . . 61 ASN HB2 . 17300 1 755 . 1 1 67 67 ASN HB3 H 1 2.650 0.020 . 2 . . . . 61 ASN HB3 . 17300 1 756 . 1 1 67 67 ASN HD22 H 1 7.036 0.020 . 1 . . . . 61 ASN HD22 . 17300 1 757 . 1 1 67 67 ASN CA C 13 51.750 0.3 . 1 . . . . 61 ASN CA . 17300 1 758 . 1 1 67 67 ASN CB C 13 41.411 0.3 . 1 . . . . 61 ASN CB . 17300 1 759 . 1 1 67 67 ASN CG C 13 169.623 0.3 . 1 . . . . 61 ASN CG . 17300 1 760 . 1 1 67 67 ASN N N 15 116.590 0.3 . 1 . . . . 61 ASN N . 17300 1 761 . 1 1 67 67 ASN ND2 N 15 119.662 0.3 . 1 . . . . 61 ASN ND2 . 17300 1 762 . 1 1 68 68 PRO HA H 1 4.511 0.020 . 1 . . . . 62 PRO HA . 17300 1 763 . 1 1 68 68 PRO HB2 H 1 2.279 0.020 . 2 . . . . 62 PRO HB2 . 17300 1 764 . 1 1 68 68 PRO HB3 H 1 1.946 0.020 . 2 . . . . 62 PRO HB3 . 17300 1 765 . 1 1 68 68 PRO HG2 H 1 2.000 0.020 . 2 . . . . 62 PRO HG2 . 17300 1 766 . 1 1 68 68 PRO HG3 H 1 1.978 0.020 . 2 . . . . 62 PRO HG3 . 17300 1 767 . 1 1 68 68 PRO HD2 H 1 3.828 0.020 . 2 . . . . 62 PRO HD2 . 17300 1 768 . 1 1 68 68 PRO HD3 H 1 3.331 0.020 . 2 . . . . 62 PRO HD3 . 17300 1 769 . 1 1 68 68 PRO C C 13 180.175 0.3 . 1 . . . . 62 PRO C . 17300 1 770 . 1 1 68 68 PRO CA C 13 63.214 0.3 . 1 . . . . 62 PRO CA . 17300 1 771 . 1 1 68 68 PRO CB C 13 32.269 0.3 . 1 . . . . 62 PRO CB . 17300 1 772 . 1 1 68 68 PRO CG C 13 26.571 0.3 . 1 . . . . 62 PRO CG . 17300 1 773 . 1 1 68 68 PRO CD C 13 49.276 0.3 . 1 . . . . 62 PRO CD . 17300 1 774 . 1 1 69 69 ALA H H 1 9.773 0.020 . 1 . . . . 63 ALA H . 17300 1 775 . 1 1 69 69 ALA HA H 1 4.151 0.020 . 1 . . . . 63 ALA HA . 17300 1 776 . 1 1 69 69 ALA HB1 H 1 1.298 0.020 . 1 . . . . 63 ALA HB . 17300 1 777 . 1 1 69 69 ALA HB2 H 1 1.298 0.020 . 1 . . . . 63 ALA HB . 17300 1 778 . 1 1 69 69 ALA HB3 H 1 1.298 0.020 . 1 . . . . 63 ALA HB . 17300 1 779 . 1 1 69 69 ALA C C 13 180.603 0.3 . 1 . . . . 63 ALA C . 17300 1 780 . 1 1 69 69 ALA CA C 13 55.672 0.3 . 1 . . . . 63 ALA CA . 17300 1 781 . 1 1 69 69 ALA CB C 13 18.148 0.3 . 1 . . . . 63 ALA CB . 17300 1 782 . 1 1 69 69 ALA N N 15 125.927 0.3 . 1 . . . . 63 ALA N . 17300 1 783 . 1 1 70 70 THR H H 1 9.494 0.020 . 1 . . . . 64 THR H . 17300 1 784 . 1 1 70 70 THR HA H 1 3.742 0.020 . 1 . . . . 64 THR HA . 17300 1 785 . 1 1 70 70 THR HB H 1 4.182 0.020 . 1 . . . . 64 THR HB . 17300 1 786 . 1 1 70 70 THR HG21 H 1 0.321 0.020 . 1 . . . . 64 THR HG2 . 17300 1 787 . 1 1 70 70 THR HG22 H 1 0.321 0.020 . 1 . . . . 64 THR HG2 . 17300 1 788 . 1 1 70 70 THR HG23 H 1 0.321 0.020 . 1 . . . . 64 THR HG2 . 17300 1 789 . 1 1 70 70 THR CA C 13 69.110 0.3 . 1 . . . . 64 THR CA . 17300 1 790 . 1 1 70 70 THR CB C 13 65.411 0.3 . 1 . . . . 64 THR CB . 17300 1 791 . 1 1 70 70 THR CG2 C 13 19.562 0.3 . 1 . . . . 64 THR CG2 . 17300 1 792 . 1 1 70 70 THR N N 15 118.752 0.3 . 1 . . . . 64 THR N . 17300 1 793 . 1 1 71 71 PRO HA H 1 3.765 0.020 . 1 . . . . 65 PRO HA . 17300 1 794 . 1 1 71 71 PRO HB2 H 1 1.902 0.020 . 2 . . . . 65 PRO HB2 . 17300 1 795 . 1 1 71 71 PRO HB3 H 1 1.739 0.020 . 2 . . . . 65 PRO HB3 . 17300 1 796 . 1 1 71 71 PRO HG2 H 1 2.383 0.020 . 2 . . . . 65 PRO HG2 . 17300 1 797 . 1 1 71 71 PRO HG3 H 1 1.893 0.020 . 2 . . . . 65 PRO HG3 . 17300 1 798 . 1 1 71 71 PRO HD2 H 1 4.014 0.020 . 2 . . . . 65 PRO HD2 . 17300 1 799 . 1 1 71 71 PRO HD3 H 1 3.609 0.020 . 2 . . . . 65 PRO HD3 . 17300 1 800 . 1 1 71 71 PRO C C 13 178.198 0.3 . 1 . . . . 65 PRO C . 17300 1 801 . 1 1 71 71 PRO CA C 13 65.818 0.3 . 1 . . . . 65 PRO CA . 17300 1 802 . 1 1 71 71 PRO CB C 13 29.765 0.3 . 1 . . . . 65 PRO CB . 17300 1 803 . 1 1 71 71 PRO CG C 13 28.864 0.3 . 1 . . . . 65 PRO CG . 17300 1 804 . 1 1 71 71 PRO CD C 13 51.213 0.3 . 1 . . . . 65 PRO CD . 17300 1 805 . 1 1 72 72 SER H H 1 6.693 0.020 . 1 . . . . 66 SER H . 17300 1 806 . 1 1 72 72 SER HA H 1 4.234 0.020 . 1 . . . . 66 SER HA . 17300 1 807 . 1 1 72 72 SER HB2 H 1 3.992 0.020 . 2 . . . . 66 SER HB2 . 17300 1 808 . 1 1 72 72 SER HB3 H 1 3.922 0.020 . 2 . . . . 66 SER HB3 . 17300 1 809 . 1 1 72 72 SER C C 13 177.681 0.3 . 1 . . . . 66 SER C . 17300 1 810 . 1 1 72 72 SER CA C 13 60.990 0.3 . 1 . . . . 66 SER CA . 17300 1 811 . 1 1 72 72 SER CB C 13 62.545 0.3 . 1 . . . . 66 SER CB . 17300 1 812 . 1 1 72 72 SER N N 15 109.797 0.3 . 1 . . . . 66 SER N . 17300 1 813 . 1 1 73 73 LYS H H 1 7.912 0.020 . 1 . . . . 67 LYS H . 17300 1 814 . 1 1 73 73 LYS HA H 1 3.838 0.020 . 1 . . . . 67 LYS HA . 17300 1 815 . 1 1 73 73 LYS HB2 H 1 1.723 0.020 . 2 . . . . 67 LYS HB2 . 17300 1 816 . 1 1 73 73 LYS HB3 H 1 1.691 0.020 . 2 . . . . 67 LYS HB3 . 17300 1 817 . 1 1 73 73 LYS HG2 H 1 1.087 0.020 . 2 . . . . 67 LYS HG2 . 17300 1 818 . 1 1 73 73 LYS HG3 H 1 0.716 0.020 . 2 . . . . 67 LYS HG3 . 17300 1 819 . 1 1 73 73 LYS HD2 H 1 1.494 0.020 . 2 . . . . 67 LYS HD2 . 17300 1 820 . 1 1 73 73 LYS HD3 H 1 1.434 0.020 . 2 . . . . 67 LYS HD3 . 17300 1 821 . 1 1 73 73 LYS HE2 H 1 2.850 0.020 . 2 . . . . 67 LYS HE2 . 17300 1 822 . 1 1 73 73 LYS HE3 H 1 2.814 0.020 . 2 . . . . 67 LYS HE3 . 17300 1 823 . 1 1 73 73 LYS C C 13 177.788 0.3 . 1 . . . . 67 LYS C . 17300 1 824 . 1 1 73 73 LYS CA C 13 58.851 0.3 . 1 . . . . 67 LYS CA . 17300 1 825 . 1 1 73 73 LYS CB C 13 31.785 0.3 . 1 . . . . 67 LYS CB . 17300 1 826 . 1 1 73 73 LYS CG C 13 24.032 0.3 . 1 . . . . 67 LYS CG . 17300 1 827 . 1 1 73 73 LYS CD C 13 28.891 0.3 . 1 . . . . 67 LYS CD . 17300 1 828 . 1 1 73 73 LYS CE C 13 42.017 0.3 . 1 . . . . 67 LYS CE . 17300 1 829 . 1 1 73 73 LYS N N 15 123.532 0.3 . 1 . . . . 67 LYS N . 17300 1 830 . 1 1 74 74 TYR H H 1 7.129 0.020 . 1 . . . . 68 TYR H . 17300 1 831 . 1 1 74 74 TYR HA H 1 4.280 0.020 . 1 . . . . 68 TYR HA . 17300 1 832 . 1 1 74 74 TYR HB2 H 1 3.296 0.020 . 2 . . . . 68 TYR HB2 . 17300 1 833 . 1 1 74 74 TYR HB3 H 1 2.075 0.020 . 2 . . . . 68 TYR HB3 . 17300 1 834 . 1 1 74 74 TYR HD1 H 1 7.083 0.020 . 1 . . . . 68 TYR HD1 . 17300 1 835 . 1 1 74 74 TYR HD2 H 1 7.083 0.020 . 1 . . . . 68 TYR HD2 . 17300 1 836 . 1 1 74 74 TYR HE1 H 1 6.777 0.020 . 1 . . . . 68 TYR HE1 . 17300 1 837 . 1 1 74 74 TYR HE2 H 1 6.777 0.020 . 1 . . . . 68 TYR HE2 . 17300 1 838 . 1 1 74 74 TYR C C 13 174.777 0.3 . 1 . . . . 68 TYR C . 17300 1 839 . 1 1 74 74 TYR CA C 13 58.930 0.3 . 1 . . . . 68 TYR CA . 17300 1 840 . 1 1 74 74 TYR CB C 13 37.767 0.3 . 1 . . . . 68 TYR CB . 17300 1 841 . 1 1 74 74 TYR CE1 C 13 117.545 0.3 . 1 . . . . 68 TYR CE1 . 17300 1 842 . 1 1 74 74 TYR CE2 C 13 118.430 0.3 . 1 . . . . 68 TYR CE2 . 17300 1 843 . 1 1 74 74 TYR N N 15 113.246 0.3 . 1 . . . . 68 TYR N . 17300 1 844 . 1 1 75 75 GLY H H 1 7.520 0.020 . 1 . . . . 69 GLY H . 17300 1 845 . 1 1 75 75 GLY HA2 H 1 3.779 0.020 . 2 . . . . 69 GLY HA2 . 17300 1 846 . 1 1 75 75 GLY HA3 H 1 3.747 0.020 . 2 . . . . 69 GLY HA3 . 17300 1 847 . 1 1 75 75 GLY C C 13 174.821 0.3 . 1 . . . . 69 GLY C . 17300 1 848 . 1 1 75 75 GLY CA C 13 46.838 0.3 . 1 . . . . 69 GLY CA . 17300 1 849 . 1 1 75 75 GLY N N 15 109.025 0.3 . 1 . . . . 69 GLY N . 17300 1 850 . 1 1 76 76 ILE H H 1 7.905 0.020 . 1 . . . . 70 ILE H . 17300 1 851 . 1 1 76 76 ILE HA H 1 3.732 0.020 . 1 . . . . 70 ILE HA . 17300 1 852 . 1 1 76 76 ILE HB H 1 1.486 0.020 . 1 . . . . 70 ILE HB . 17300 1 853 . 1 1 76 76 ILE HG12 H 1 0.798 0.020 . 2 . . . . 70 ILE HG12 . 17300 1 854 . 1 1 76 76 ILE HG13 H 1 0.738 0.020 . 2 . . . . 70 ILE HG13 . 17300 1 855 . 1 1 76 76 ILE HG21 H 1 0.556 0.020 . 1 . . . . 70 ILE HG2 . 17300 1 856 . 1 1 76 76 ILE HG22 H 1 0.556 0.020 . 1 . . . . 70 ILE HG2 . 17300 1 857 . 1 1 76 76 ILE HG23 H 1 0.556 0.020 . 1 . . . . 70 ILE HG2 . 17300 1 858 . 1 1 76 76 ILE HD11 H 1 0.000 0.020 . 1 . . . . 70 ILE HD1 . 17300 1 859 . 1 1 76 76 ILE HD12 H 1 0.000 0.020 . 1 . . . . 70 ILE HD1 . 17300 1 860 . 1 1 76 76 ILE HD13 H 1 0.000 0.020 . 1 . . . . 70 ILE HD1 . 17300 1 861 . 1 1 76 76 ILE C C 13 176.167 0.3 . 1 . . . . 70 ILE C . 17300 1 862 . 1 1 76 76 ILE CA C 13 61.346 0.3 . 1 . . . . 70 ILE CA . 17300 1 863 . 1 1 76 76 ILE CB C 13 35.746 0.3 . 1 . . . . 70 ILE CB . 17300 1 864 . 1 1 76 76 ILE CG1 C 13 27.032 0.3 . 1 . . . . 70 ILE CG1 . 17300 1 865 . 1 1 76 76 ILE CG2 C 13 16.672 0.3 . 1 . . . . 70 ILE CG2 . 17300 1 866 . 1 1 76 76 ILE CD1 C 13 11.447 0.3 . 1 . . . . 70 ILE CD1 . 17300 1 867 . 1 1 76 76 ILE N N 15 118.955 0.3 . 1 . . . . 70 ILE N . 17300 1 868 . 1 1 77 77 ARG H H 1 8.728 0.020 . 1 . . . . 71 ARG H . 17300 1 869 . 1 1 77 77 ARG HA H 1 4.412 0.020 . 1 . . . . 71 ARG HA . 17300 1 870 . 1 1 77 77 ARG HB2 H 1 1.897 0.020 . 2 . . . . 71 ARG HB2 . 17300 1 871 . 1 1 77 77 ARG HB3 H 1 1.626 0.020 . 2 . . . . 71 ARG HB3 . 17300 1 872 . 1 1 77 77 ARG HG2 H 1 1.532 0.020 . 2 . . . . 71 ARG HG2 . 17300 1 873 . 1 1 77 77 ARG HG3 H 1 1.502 0.020 . 2 . . . . 71 ARG HG3 . 17300 1 874 . 1 1 77 77 ARG HD2 H 1 3.127 0.020 . 2 . . . . 71 ARG HD2 . 17300 1 875 . 1 1 77 77 ARG HD3 H 1 3.100 0.020 . 2 . . . . 71 ARG HD3 . 17300 1 876 . 1 1 77 77 ARG HE H 1 7.144 0.020 . 1 . . . . 71 ARG HE . 17300 1 877 . 1 1 77 77 ARG C C 13 174.848 0.3 . 1 . . . . 71 ARG C . 17300 1 878 . 1 1 77 77 ARG CA C 13 55.474 0.3 . 1 . . . . 71 ARG CA . 17300 1 879 . 1 1 77 77 ARG CB C 13 31.389 0.3 . 1 . . . . 71 ARG CB . 17300 1 880 . 1 1 77 77 ARG CG C 13 26.356 0.3 . 1 . . . . 71 ARG CG . 17300 1 881 . 1 1 77 77 ARG CD C 13 42.744 0.3 . 1 . . . . 71 ARG CD . 17300 1 882 . 1 1 77 77 ARG N N 15 127.593 0.3 . 1 . . . . 71 ARG N . 17300 1 883 . 1 1 77 77 ARG NE N 15 84.103 0.3 . 1 . . . . 71 ARG NE . 17300 1 884 . 1 1 78 78 ALA H H 1 7.727 0.020 . 1 . . . . 72 ALA H . 17300 1 885 . 1 1 78 78 ALA HA H 1 4.575 0.020 . 1 . . . . 72 ALA HA . 17300 1 886 . 1 1 78 78 ALA HB1 H 1 1.255 0.020 . 1 . . . . 72 ALA HB . 17300 1 887 . 1 1 78 78 ALA HB2 H 1 1.255 0.020 . 1 . . . . 72 ALA HB . 17300 1 888 . 1 1 78 78 ALA HB3 H 1 1.255 0.020 . 1 . . . . 72 ALA HB . 17300 1 889 . 1 1 78 78 ALA C C 13 174.572 0.3 . 1 . . . . 72 ALA C . 17300 1 890 . 1 1 78 78 ALA CA C 13 51.077 0.3 . 1 . . . . 72 ALA CA . 17300 1 891 . 1 1 78 78 ALA CB C 13 21.119 0.3 . 1 . . . . 72 ALA CB . 17300 1 892 . 1 1 78 78 ALA N N 15 122.461 0.3 . 1 . . . . 72 ALA N . 17300 1 893 . 1 1 79 79 ILE H H 1 8.195 0.020 . 1 . . . . 73 ILE H . 17300 1 894 . 1 1 79 79 ILE HA H 1 4.512 0.020 . 1 . . . . 73 ILE HA . 17300 1 895 . 1 1 79 79 ILE HB H 1 1.745 0.020 . 1 . . . . 73 ILE HB . 17300 1 896 . 1 1 79 79 ILE HG12 H 1 1.401 0.020 . 2 . . . . 73 ILE HG12 . 17300 1 897 . 1 1 79 79 ILE HG13 H 1 1.167 0.020 . 2 . . . . 73 ILE HG13 . 17300 1 898 . 1 1 79 79 ILE HG21 H 1 0.711 0.020 . 1 . . . . 73 ILE HG2 . 17300 1 899 . 1 1 79 79 ILE HG22 H 1 0.711 0.020 . 1 . . . . 73 ILE HG2 . 17300 1 900 . 1 1 79 79 ILE HG23 H 1 0.711 0.020 . 1 . . . . 73 ILE HG2 . 17300 1 901 . 1 1 79 79 ILE HD11 H 1 0.373 0.020 . 1 . . . . 73 ILE HD1 . 17300 1 902 . 1 1 79 79 ILE HD12 H 1 0.373 0.020 . 1 . . . . 73 ILE HD1 . 17300 1 903 . 1 1 79 79 ILE HD13 H 1 0.373 0.020 . 1 . . . . 73 ILE HD1 . 17300 1 904 . 1 1 79 79 ILE CA C 13 56.917 0.3 . 1 . . . . 73 ILE CA . 17300 1 905 . 1 1 79 79 ILE CB C 13 40.013 0.3 . 1 . . . . 73 ILE CB . 17300 1 906 . 1 1 79 79 ILE CG1 C 13 24.993 0.3 . 1 . . . . 73 ILE CG1 . 17300 1 907 . 1 1 79 79 ILE CG2 C 13 15.477 0.3 . 1 . . . . 73 ILE CG2 . 17300 1 908 . 1 1 79 79 ILE CD1 C 13 14.273 0.3 . 1 . . . . 73 ILE CD1 . 17300 1 909 . 1 1 79 79 ILE N N 15 115.894 0.3 . 1 . . . . 73 ILE N . 17300 1 910 . 1 1 80 80 PRO HA H 1 5.035 0.020 . 1 . . . . 74 PRO HA . 17300 1 911 . 1 1 80 80 PRO HB2 H 1 2.627 0.020 . 2 . . . . 74 PRO HB2 . 17300 1 912 . 1 1 80 80 PRO HB3 H 1 2.063 0.020 . 2 . . . . 74 PRO HB3 . 17300 1 913 . 1 1 80 80 PRO HG2 H 1 1.803 0.020 . 2 . . . . 74 PRO HG2 . 17300 1 914 . 1 1 80 80 PRO HG3 H 1 1.722 0.020 . 2 . . . . 74 PRO HG3 . 17300 1 915 . 1 1 80 80 PRO HD2 H 1 3.595 0.020 . 2 . . . . 74 PRO HD2 . 17300 1 916 . 1 1 80 80 PRO HD3 H 1 3.456 0.020 . 2 . . . . 74 PRO HD3 . 17300 1 917 . 1 1 80 80 PRO C C 13 176.719 0.3 . 1 . . . . 74 PRO C . 17300 1 918 . 1 1 80 80 PRO CA C 13 62.762 0.3 . 1 . . . . 74 PRO CA . 17300 1 919 . 1 1 80 80 PRO CB C 13 34.719 0.3 . 1 . . . . 74 PRO CB . 17300 1 920 . 1 1 80 80 PRO CG C 13 24.791 0.3 . 1 . . . . 74 PRO CG . 17300 1 921 . 1 1 80 80 PRO CD C 13 50.762 0.3 . 1 . . . . 74 PRO CD . 17300 1 922 . 1 1 81 81 THR H H 1 8.242 0.020 . 1 . . . . 75 THR H . 17300 1 923 . 1 1 81 81 THR HA H 1 5.245 0.020 . 1 . . . . 75 THR HA . 17300 1 924 . 1 1 81 81 THR HB H 1 3.917 0.020 . 1 . . . . 75 THR HB . 17300 1 925 . 1 1 81 81 THR HG21 H 1 1.158 0.020 . 1 . . . . 75 THR HG2 . 17300 1 926 . 1 1 81 81 THR HG22 H 1 1.158 0.020 . 1 . . . . 75 THR HG2 . 17300 1 927 . 1 1 81 81 THR HG23 H 1 1.158 0.020 . 1 . . . . 75 THR HG2 . 17300 1 928 . 1 1 81 81 THR C C 13 171.940 0.3 . 1 . . . . 75 THR C . 17300 1 929 . 1 1 81 81 THR CA C 13 63.370 0.3 . 1 . . . . 75 THR CA . 17300 1 930 . 1 1 81 81 THR CB C 13 73.822 0.3 . 1 . . . . 75 THR CB . 17300 1 931 . 1 1 81 81 THR CG2 C 13 21.803 0.3 . 1 . . . . 75 THR CG2 . 17300 1 932 . 1 1 81 81 THR N N 15 117.320 0.3 . 1 . . . . 75 THR N . 17300 1 933 . 1 1 82 82 LEU H H 1 9.316 0.020 . 1 . . . . 76 LEU H . 17300 1 934 . 1 1 82 82 LEU HA H 1 5.885 0.020 . 1 . . . . 76 LEU HA . 17300 1 935 . 1 1 82 82 LEU HB2 H 1 1.661 0.020 . 2 . . . . 76 LEU HB2 . 17300 1 936 . 1 1 82 82 LEU HB3 H 1 1.184 0.020 . 2 . . . . 76 LEU HB3 . 17300 1 937 . 1 1 82 82 LEU HG H 1 1.787 0.020 . 1 . . . . 76 LEU HG . 17300 1 938 . 1 1 82 82 LEU HD11 H 1 0.704 0.020 . 1 . . . . 76 LEU HD1 . 17300 1 939 . 1 1 82 82 LEU HD12 H 1 0.704 0.020 . 1 . . . . 76 LEU HD1 . 17300 1 940 . 1 1 82 82 LEU HD13 H 1 0.704 0.020 . 1 . . . . 76 LEU HD1 . 17300 1 941 . 1 1 82 82 LEU HD21 H 1 0.764 0.020 . 1 . . . . 76 LEU HD2 . 17300 1 942 . 1 1 82 82 LEU HD22 H 1 0.764 0.020 . 1 . . . . 76 LEU HD2 . 17300 1 943 . 1 1 82 82 LEU HD23 H 1 0.764 0.020 . 1 . . . . 76 LEU HD2 . 17300 1 944 . 1 1 82 82 LEU C C 13 176.327 0.3 . 1 . . . . 76 LEU C . 17300 1 945 . 1 1 82 82 LEU CA C 13 52.413 0.3 . 1 . . . . 76 LEU CA . 17300 1 946 . 1 1 82 82 LEU CB C 13 44.303 0.3 . 1 . . . . 76 LEU CB . 17300 1 947 . 1 1 82 82 LEU CG C 13 26.457 0.3 . 1 . . . . 76 LEU CG . 17300 1 948 . 1 1 82 82 LEU CD1 C 13 25.889 0.3 . 1 . . . . 76 LEU CD1 . 17300 1 949 . 1 1 82 82 LEU CD2 C 13 23.728 0.3 . 1 . . . . 76 LEU CD2 . 17300 1 950 . 1 1 82 82 LEU N N 15 126.550 0.3 . 1 . . . . 76 LEU N . 17300 1 951 . 1 1 83 83 ILE H H 1 8.554 0.020 . 1 . . . . 77 ILE H . 17300 1 952 . 1 1 83 83 ILE HA H 1 4.766 0.020 . 1 . . . . 77 ILE HA . 17300 1 953 . 1 1 83 83 ILE HB H 1 1.648 0.020 . 1 . . . . 77 ILE HB . 17300 1 954 . 1 1 83 83 ILE HG12 H 1 1.638 0.020 . 2 . . . . 77 ILE HG12 . 17300 1 955 . 1 1 83 83 ILE HG13 H 1 0.885 0.020 . 2 . . . . 77 ILE HG13 . 17300 1 956 . 1 1 83 83 ILE HG21 H 1 0.246 0.020 . 1 . . . . 77 ILE HG2 . 17300 1 957 . 1 1 83 83 ILE HG22 H 1 0.246 0.020 . 1 . . . . 77 ILE HG2 . 17300 1 958 . 1 1 83 83 ILE HG23 H 1 0.246 0.020 . 1 . . . . 77 ILE HG2 . 17300 1 959 . 1 1 83 83 ILE HD11 H 1 0.572 0.020 . 1 . . . . 77 ILE HD1 . 17300 1 960 . 1 1 83 83 ILE HD12 H 1 0.572 0.020 . 1 . . . . 77 ILE HD1 . 17300 1 961 . 1 1 83 83 ILE HD13 H 1 0.572 0.020 . 1 . . . . 77 ILE HD1 . 17300 1 962 . 1 1 83 83 ILE C C 13 173.601 0.3 . 1 . . . . 77 ILE C . 17300 1 963 . 1 1 83 83 ILE CA C 13 60.711 0.3 . 1 . . . . 77 ILE CA . 17300 1 964 . 1 1 83 83 ILE CB C 13 41.173 0.3 . 1 . . . . 77 ILE CB . 17300 1 965 . 1 1 83 83 ILE CG1 C 13 28.029 0.3 . 1 . . . . 77 ILE CG1 . 17300 1 966 . 1 1 83 83 ILE CG2 C 13 19.873 0.3 . 1 . . . . 77 ILE CG2 . 17300 1 967 . 1 1 83 83 ILE CD1 C 13 13.208 0.3 . 1 . . . . 77 ILE CD1 . 17300 1 968 . 1 1 83 83 ILE N N 15 118.745 0.3 . 1 . . . . 77 ILE N . 17300 1 969 . 1 1 84 84 LEU H H 1 8.538 0.020 . 1 . . . . 78 LEU H . 17300 1 970 . 1 1 84 84 LEU HA H 1 5.411 0.020 . 1 . . . . 78 LEU HA . 17300 1 971 . 1 1 84 84 LEU HB2 H 1 1.721 0.020 . 2 . . . . 78 LEU HB2 . 17300 1 972 . 1 1 84 84 LEU HB3 H 1 1.049 0.020 . 2 . . . . 78 LEU HB3 . 17300 1 973 . 1 1 84 84 LEU HG H 1 1.265 0.020 . 1 . . . . 78 LEU HG . 17300 1 974 . 1 1 84 84 LEU HD11 H 1 0.629 0.020 . 1 . . . . 78 LEU HD1 . 17300 1 975 . 1 1 84 84 LEU HD12 H 1 0.629 0.020 . 1 . . . . 78 LEU HD1 . 17300 1 976 . 1 1 84 84 LEU HD13 H 1 0.629 0.020 . 1 . . . . 78 LEU HD1 . 17300 1 977 . 1 1 84 84 LEU HD21 H 1 0.733 0.020 . 1 . . . . 78 LEU HD2 . 17300 1 978 . 1 1 84 84 LEU HD22 H 1 0.733 0.020 . 1 . . . . 78 LEU HD2 . 17300 1 979 . 1 1 84 84 LEU HD23 H 1 0.733 0.020 . 1 . . . . 78 LEU HD2 . 17300 1 980 . 1 1 84 84 LEU C C 13 174.153 0.3 . 1 . . . . 78 LEU C . 17300 1 981 . 1 1 84 84 LEU CA C 13 52.671 0.3 . 1 . . . . 78 LEU CA . 17300 1 982 . 1 1 84 84 LEU CB C 13 45.095 0.3 . 1 . . . . 78 LEU CB . 17300 1 983 . 1 1 84 84 LEU CG C 13 26.798 0.3 . 1 . . . . 78 LEU CG . 17300 1 984 . 1 1 84 84 LEU CD1 C 13 26.039 0.3 . 1 . . . . 78 LEU CD1 . 17300 1 985 . 1 1 84 84 LEU CD2 C 13 22.932 0.3 . 1 . . . . 78 LEU CD2 . 17300 1 986 . 1 1 84 84 LEU N N 15 128.395 0.3 . 1 . . . . 78 LEU N . 17300 1 987 . 1 1 85 85 PHE H H 1 10.192 0.020 . 1 . . . . 79 PHE H . 17300 1 988 . 1 1 85 85 PHE HA H 1 5.289 0.020 . 1 . . . . 79 PHE HA . 17300 1 989 . 1 1 85 85 PHE HB2 H 1 2.893 0.020 . 2 . . . . 79 PHE HB2 . 17300 1 990 . 1 1 85 85 PHE HB3 H 1 2.702 0.020 . 2 . . . . 79 PHE HB3 . 17300 1 991 . 1 1 85 85 PHE HD1 H 1 7.382 0.020 . 1 . . . . 79 PHE HD1 . 17300 1 992 . 1 1 85 85 PHE HE1 H 1 6.435 0.020 . 1 . . . . 79 PHE HE1 . 17300 1 993 . 1 1 85 85 PHE HE2 H 1 6.435 0.020 . 1 . . . . 79 PHE HE2 . 17300 1 994 . 1 1 85 85 PHE HZ H 1 6.070 0.020 . 1 . . . . 79 PHE HZ . 17300 1 995 . 1 1 85 85 PHE C C 13 176.167 0.3 . 1 . . . . 79 PHE C . 17300 1 996 . 1 1 85 85 PHE CA C 13 56.860 0.3 . 1 . . . . 79 PHE CA . 17300 1 997 . 1 1 85 85 PHE CB C 13 43.114 0.3 . 1 . . . . 79 PHE CB . 17300 1 998 . 1 1 85 85 PHE CD1 C 13 130.871 0.3 . 1 . . . . 79 PHE CD1 . 17300 1 999 . 1 1 85 85 PHE CE1 C 13 132.894 0.3 . 1 . . . . 79 PHE CE1 . 17300 1 1000 . 1 1 85 85 PHE CZ C 13 131.285 0.3 . 1 . . . . 79 PHE CZ . 17300 1 1001 . 1 1 85 85 PHE N N 15 127.487 0.3 . 1 . . . . 79 PHE N . 17300 1 1002 . 1 1 86 86 LYS H H 1 8.809 0.020 . 1 . . . . 80 LYS H . 17300 1 1003 . 1 1 86 86 LYS HA H 1 4.469 0.020 . 1 . . . . 80 LYS HA . 17300 1 1004 . 1 1 86 86 LYS HB2 H 1 1.747 0.020 . 2 . . . . 80 LYS HB2 . 17300 1 1005 . 1 1 86 86 LYS HB3 H 1 1.525 0.020 . 2 . . . . 80 LYS HB3 . 17300 1 1006 . 1 1 86 86 LYS HG2 H 1 1.361 0.020 . 2 . . . . 80 LYS HG2 . 17300 1 1007 . 1 1 86 86 LYS HG3 H 1 1.314 0.020 . 2 . . . . 80 LYS HG3 . 17300 1 1008 . 1 1 86 86 LYS HD2 H 1 1.782 0.020 . 2 . . . . 80 LYS HD2 . 17300 1 1009 . 1 1 86 86 LYS HD3 H 1 1.725 0.020 . 2 . . . . 80 LYS HD3 . 17300 1 1010 . 1 1 86 86 LYS HE2 H 1 2.997 0.020 . 2 . . . . 80 LYS HE2 . 17300 1 1011 . 1 1 86 86 LYS HE3 H 1 2.977 0.020 . 2 . . . . 80 LYS HE3 . 17300 1 1012 . 1 1 86 86 LYS C C 13 176.541 0.3 . 1 . . . . 80 LYS C . 17300 1 1013 . 1 1 86 86 LYS CA C 13 56.622 0.3 . 1 . . . . 80 LYS CA . 17300 1 1014 . 1 1 86 86 LYS CB C 13 36.103 0.3 . 1 . . . . 80 LYS CB . 17300 1 1015 . 1 1 86 86 LYS CG C 13 25.496 0.3 . 1 . . . . 80 LYS CG . 17300 1 1016 . 1 1 86 86 LYS CD C 13 29.850 0.3 . 1 . . . . 80 LYS CD . 17300 1 1017 . 1 1 86 86 LYS CE C 13 41.965 0.3 . 1 . . . . 80 LYS CE . 17300 1 1018 . 1 1 86 86 LYS N N 15 117.353 0.3 . 1 . . . . 80 LYS N . 17300 1 1019 . 1 1 87 87 ASN H H 1 9.399 0.020 . 1 . . . . 81 ASN H . 17300 1 1020 . 1 1 87 87 ASN HA H 1 4.600 0.020 . 1 . . . . 81 ASN HA . 17300 1 1021 . 1 1 87 87 ASN HB2 H 1 3.071 0.020 . 2 . . . . 81 ASN HB2 . 17300 1 1022 . 1 1 87 87 ASN HB3 H 1 2.785 0.020 . 2 . . . . 81 ASN HB3 . 17300 1 1023 . 1 1 87 87 ASN HD21 H 1 7.710 0.020 . 1 . . . . 81 ASN HD21 . 17300 1 1024 . 1 1 87 87 ASN HD22 H 1 6.987 0.020 . 1 . . . . 81 ASN HD22 . 17300 1 1025 . 1 1 87 87 ASN C C 13 175.347 0.3 . 1 . . . . 81 ASN C . 17300 1 1026 . 1 1 87 87 ASN CA C 13 54.279 0.3 . 1 . . . . 81 ASN CA . 17300 1 1027 . 1 1 87 87 ASN CB C 13 37.209 0.3 . 1 . . . . 81 ASN CB . 17300 1 1028 . 1 1 87 87 ASN CG C 13 178.261 0.3 . 1 . . . . 81 ASN CG . 17300 1 1029 . 1 1 87 87 ASN N N 15 126.145 0.3 . 1 . . . . 81 ASN N . 17300 1 1030 . 1 1 87 87 ASN ND2 N 15 112.861 0.3 . 1 . . . . 81 ASN ND2 . 17300 1 1031 . 1 1 88 88 GLY H H 1 9.226 0.020 . 1 . . . . 82 GLY H . 17300 1 1032 . 1 1 88 88 GLY HA2 H 1 4.269 0.020 . 2 . . . . 82 GLY HA2 . 17300 1 1033 . 1 1 88 88 GLY HA3 H 1 3.542 0.020 . 2 . . . . 82 GLY HA3 . 17300 1 1034 . 1 1 88 88 GLY C C 13 173.120 0.3 . 1 . . . . 82 GLY C . 17300 1 1035 . 1 1 88 88 GLY CA C 13 45.808 0.3 . 1 . . . . 82 GLY CA . 17300 1 1036 . 1 1 88 88 GLY N N 15 103.321 0.3 . 1 . . . . 82 GLY N . 17300 1 1037 . 1 1 89 89 GLU H H 1 7.822 0.020 . 1 . . . . 83 GLU H . 17300 1 1038 . 1 1 89 89 GLU HA H 1 4.781 0.020 . 1 . . . . 83 GLU HA . 17300 1 1039 . 1 1 89 89 GLU HB2 H 1 2.058 0.020 . 2 . . . . 83 GLU HB2 . 17300 1 1040 . 1 1 89 89 GLU HB3 H 1 1.879 0.020 . 2 . . . . 83 GLU HB3 . 17300 1 1041 . 1 1 89 89 GLU HG2 H 1 2.330 0.020 . 2 . . . . 83 GLU HG2 . 17300 1 1042 . 1 1 89 89 GLU HG3 H 1 2.224 0.020 . 2 . . . . 83 GLU HG3 . 17300 1 1043 . 1 1 89 89 GLU C C 13 174.991 0.3 . 1 . . . . 83 GLU C . 17300 1 1044 . 1 1 89 89 GLU CA C 13 53.990 0.3 . 1 . . . . 83 GLU CA . 17300 1 1045 . 1 1 89 89 GLU CB C 13 32.577 0.3 . 1 . . . . 83 GLU CB . 17300 1 1046 . 1 1 89 89 GLU CG C 13 35.391 0.3 . 1 . . . . 83 GLU CG . 17300 1 1047 . 1 1 89 89 GLU CD C 13 183.838 0.3 . 1 . . . . 83 GLU CD . 17300 1 1048 . 1 1 89 89 GLU N N 15 118.948 0.3 . 1 . . . . 83 GLU N . 17300 1 1049 . 1 1 90 90 VAL H H 1 8.779 0.020 . 1 . . . . 84 VAL H . 17300 1 1050 . 1 1 90 90 VAL HA H 1 3.145 0.020 . 1 . . . . 84 VAL HA . 17300 1 1051 . 1 1 90 90 VAL HB H 1 1.879 0.020 . 1 . . . . 84 VAL HB . 17300 1 1052 . 1 1 90 90 VAL HG11 H 1 0.702 0.020 . 1 . . . . 84 VAL HG1 . 17300 1 1053 . 1 1 90 90 VAL HG12 H 1 0.702 0.020 . 1 . . . . 84 VAL HG1 . 17300 1 1054 . 1 1 90 90 VAL HG13 H 1 0.702 0.020 . 1 . . . . 84 VAL HG1 . 17300 1 1055 . 1 1 90 90 VAL HG21 H 1 0.589 0.020 . 1 . . . . 84 VAL HG2 . 17300 1 1056 . 1 1 90 90 VAL HG22 H 1 0.589 0.020 . 1 . . . . 84 VAL HG2 . 17300 1 1057 . 1 1 90 90 VAL HG23 H 1 0.589 0.020 . 1 . . . . 84 VAL HG2 . 17300 1 1058 . 1 1 90 90 VAL C C 13 177.218 0.3 . 1 . . . . 84 VAL C . 17300 1 1059 . 1 1 90 90 VAL CA C 13 64.040 0.3 . 1 . . . . 84 VAL CA . 17300 1 1060 . 1 1 90 90 VAL CB C 13 31.767 0.3 . 1 . . . . 84 VAL CB . 17300 1 1061 . 1 1 90 90 VAL CG1 C 13 22.628 0.3 . 1 . . . . 84 VAL CG1 . 17300 1 1062 . 1 1 90 90 VAL CG2 C 13 20.626 0.3 . 1 . . . . 84 VAL CG2 . 17300 1 1063 . 1 1 90 90 VAL N N 15 122.533 0.3 . 1 . . . . 84 VAL N . 17300 1 1064 . 1 1 91 91 VAL H H 1 9.229 0.020 . 1 . . . . 85 VAL H . 17300 1 1065 . 1 1 91 91 VAL HA H 1 4.251 0.020 . 1 . . . . 85 VAL HA . 17300 1 1066 . 1 1 91 91 VAL HB H 1 1.874 0.020 . 1 . . . . 85 VAL HB . 17300 1 1067 . 1 1 91 91 VAL HG11 H 1 0.835 0.020 . 1 . . . . 85 VAL HG1 . 17300 1 1068 . 1 1 91 91 VAL HG12 H 1 0.835 0.020 . 1 . . . . 85 VAL HG1 . 17300 1 1069 . 1 1 91 91 VAL HG13 H 1 0.835 0.020 . 1 . . . . 85 VAL HG1 . 17300 1 1070 . 1 1 91 91 VAL HG21 H 1 0.927 0.020 . 1 . . . . 85 VAL HG2 . 17300 1 1071 . 1 1 91 91 VAL HG22 H 1 0.927 0.020 . 1 . . . . 85 VAL HG2 . 17300 1 1072 . 1 1 91 91 VAL HG23 H 1 0.927 0.020 . 1 . . . . 85 VAL HG2 . 17300 1 1073 . 1 1 91 91 VAL C C 13 175.561 0.3 . 1 . . . . 85 VAL C . 17300 1 1074 . 1 1 91 91 VAL CA C 13 62.416 0.3 . 1 . . . . 85 VAL CA . 17300 1 1075 . 1 1 91 91 VAL CB C 13 33.211 0.3 . 1 . . . . 85 VAL CB . 17300 1 1076 . 1 1 91 91 VAL CG1 C 13 21.075 0.3 . 1 . . . . 85 VAL CG1 . 17300 1 1077 . 1 1 91 91 VAL CG2 C 13 21.623 0.3 . 1 . . . . 85 VAL CG2 . 17300 1 1078 . 1 1 91 91 VAL N N 15 125.835 0.3 . 1 . . . . 85 VAL N . 17300 1 1079 . 1 1 92 92 GLU H H 1 7.348 0.020 . 1 . . . . 86 GLU H . 17300 1 1080 . 1 1 92 92 GLU HA H 1 4.591 0.020 . 1 . . . . 86 GLU HA . 17300 1 1081 . 1 1 92 92 GLU HB2 H 1 1.965 0.020 . 2 . . . . 86 GLU HB2 . 17300 1 1082 . 1 1 92 92 GLU HB3 H 1 1.620 0.020 . 2 . . . . 86 GLU HB3 . 17300 1 1083 . 1 1 92 92 GLU HG2 H 1 2.144 0.020 . 2 . . . . 86 GLU HG2 . 17300 1 1084 . 1 1 92 92 GLU HG3 H 1 2.116 0.020 . 2 . . . . 86 GLU HG3 . 17300 1 1085 . 1 1 92 92 GLU C C 13 172.603 0.3 . 1 . . . . 86 GLU C . 17300 1 1086 . 1 1 92 92 GLU CA C 13 55.484 0.3 . 1 . . . . 86 GLU CA . 17300 1 1087 . 1 1 92 92 GLU CB C 13 32.839 0.3 . 1 . . . . 86 GLU CB . 17300 1 1088 . 1 1 92 92 GLU CG C 13 35.714 0.3 . 1 . . . . 86 GLU CG . 17300 1 1089 . 1 1 92 92 GLU CD C 13 181.472 0.3 . 1 . . . . 86 GLU CD . 17300 1 1090 . 1 1 92 92 GLU N N 15 117.848 0.3 . 1 . . . . 86 GLU N . 17300 1 1091 . 1 1 93 93 GLN H H 1 8.869 0.020 . 1 . . . . 87 GLN H . 17300 1 1092 . 1 1 93 93 GLN HA H 1 5.244 0.020 . 1 . . . . 87 GLN HA . 17300 1 1093 . 1 1 93 93 GLN HB2 H 1 2.053 0.020 . 2 . . . . 87 GLN HB2 . 17300 1 1094 . 1 1 93 93 GLN HB3 H 1 1.881 0.020 . 2 . . . . 87 GLN HB3 . 17300 1 1095 . 1 1 93 93 GLN HG2 H 1 2.078 0.020 . 2 . . . . 87 GLN HG2 . 17300 1 1096 . 1 1 93 93 GLN HG3 H 1 2.007 0.020 . 2 . . . . 87 GLN HG3 . 17300 1 1097 . 1 1 93 93 GLN HE21 H 1 7.179 0.020 . 1 . . . . 87 GLN HE21 . 17300 1 1098 . 1 1 93 93 GLN HE22 H 1 6.757 0.020 . 1 . . . . 87 GLN HE22 . 17300 1 1099 . 1 1 93 93 GLN C C 13 173.975 0.3 . 1 . . . . 87 GLN C . 17300 1 1100 . 1 1 93 93 GLN CA C 13 54.563 0.3 . 1 . . . . 87 GLN CA . 17300 1 1101 . 1 1 93 93 GLN CB C 13 31.478 0.3 . 1 . . . . 87 GLN CB . 17300 1 1102 . 1 1 93 93 GLN CG C 13 32.853 0.3 . 1 . . . . 87 GLN CG . 17300 1 1103 . 1 1 93 93 GLN CD C 13 178.814 0.3 . 1 . . . . 87 GLN CD . 17300 1 1104 . 1 1 93 93 GLN N N 15 124.426 0.3 . 1 . . . . 87 GLN N . 17300 1 1105 . 1 1 93 93 GLN NE2 N 15 108.806 0.3 . 1 . . . . 87 GLN NE2 . 17300 1 1106 . 1 1 94 94 VAL H H 1 9.167 0.020 . 1 . . . . 88 VAL H . 17300 1 1107 . 1 1 94 94 VAL HA H 1 4.512 0.020 . 1 . . . . 88 VAL HA . 17300 1 1108 . 1 1 94 94 VAL HB H 1 1.947 0.020 . 1 . . . . 88 VAL HB . 17300 1 1109 . 1 1 94 94 VAL HG11 H 1 0.871 0.020 . 1 . . . . 88 VAL HG1 . 17300 1 1110 . 1 1 94 94 VAL HG12 H 1 0.871 0.020 . 1 . . . . 88 VAL HG1 . 17300 1 1111 . 1 1 94 94 VAL HG13 H 1 0.871 0.020 . 1 . . . . 88 VAL HG1 . 17300 1 1112 . 1 1 94 94 VAL HG21 H 1 0.831 0.020 . 1 . . . . 88 VAL HG2 . 17300 1 1113 . 1 1 94 94 VAL HG22 H 1 0.831 0.020 . 1 . . . . 88 VAL HG2 . 17300 1 1114 . 1 1 94 94 VAL HG23 H 1 0.831 0.020 . 1 . . . . 88 VAL HG2 . 17300 1 1115 . 1 1 94 94 VAL C C 13 174.011 0.3 . 1 . . . . 88 VAL C . 17300 1 1116 . 1 1 94 94 VAL CA C 13 60.752 0.3 . 1 . . . . 88 VAL CA . 17300 1 1117 . 1 1 94 94 VAL CB C 13 35.192 0.3 . 1 . . . . 88 VAL CB . 17300 1 1118 . 1 1 94 94 VAL CG1 C 13 21.737 0.3 . 1 . . . . 88 VAL CG1 . 17300 1 1119 . 1 1 94 94 VAL CG2 C 13 20.377 0.3 . 1 . . . . 88 VAL CG2 . 17300 1 1120 . 1 1 94 94 VAL N N 15 123.554 0.3 . 1 . . . . 88 VAL N . 17300 1 1121 . 1 1 95 95 THR H H 1 8.759 0.020 . 1 . . . . 89 THR H . 17300 1 1122 . 1 1 95 95 THR HA H 1 4.978 0.020 . 1 . . . . 89 THR HA . 17300 1 1123 . 1 1 95 95 THR HB H 1 3.898 0.020 . 1 . . . . 89 THR HB . 17300 1 1124 . 1 1 95 95 THR HG21 H 1 1.136 0.020 . 1 . . . . 89 THR HG2 . 17300 1 1125 . 1 1 95 95 THR HG22 H 1 1.136 0.020 . 1 . . . . 89 THR HG2 . 17300 1 1126 . 1 1 95 95 THR HG23 H 1 1.136 0.020 . 1 . . . . 89 THR HG2 . 17300 1 1127 . 1 1 95 95 THR C C 13 174.064 0.3 . 1 . . . . 89 THR C . 17300 1 1128 . 1 1 95 95 THR CA C 13 61.307 0.3 . 1 . . . . 89 THR CA . 17300 1 1129 . 1 1 95 95 THR CB C 13 70.936 0.3 . 1 . . . . 89 THR CB . 17300 1 1130 . 1 1 95 95 THR CG2 C 13 21.358 0.3 . 1 . . . . 89 THR CG2 . 17300 1 1131 . 1 1 95 95 THR N N 15 122.235 0.3 . 1 . . . . 89 THR N . 17300 1 1132 . 1 1 96 96 GLY H H 1 8.385 0.020 . 1 . . . . 90 GLY H . 17300 1 1133 . 1 1 96 96 GLY HA2 H 1 4.345 0.020 . 2 . . . . 90 GLY HA2 . 17300 1 1134 . 1 1 96 96 GLY HA3 H 1 3.599 0.020 . 2 . . . . 90 GLY HA3 . 17300 1 1135 . 1 1 96 96 GLY C C 13 171.864 0.3 . 1 . . . . 90 GLY C . 17300 1 1136 . 1 1 96 96 GLY CA C 13 43.233 0.3 . 1 . . . . 90 GLY CA . 17300 1 1137 . 1 1 96 96 GLY N N 15 112.824 0.3 . 1 . . . . 90 GLY N . 17300 1 1138 . 1 1 97 97 ALA H H 1 8.289 0.020 . 1 . . . . 91 ALA H . 17300 1 1139 . 1 1 97 97 ALA HA H 1 4.242 0.020 . 1 . . . . 91 ALA HA . 17300 1 1140 . 1 1 97 97 ALA HB1 H 1 1.264 0.020 . 1 . . . . 91 ALA HB . 17300 1 1141 . 1 1 97 97 ALA HB2 H 1 1.264 0.020 . 1 . . . . 91 ALA HB . 17300 1 1142 . 1 1 97 97 ALA HB3 H 1 1.264 0.020 . 1 . . . . 91 ALA HB . 17300 1 1143 . 1 1 97 97 ALA C C 13 177.521 0.3 . 1 . . . . 91 ALA C . 17300 1 1144 . 1 1 97 97 ALA CA C 13 52.382 0.3 . 1 . . . . 91 ALA CA . 17300 1 1145 . 1 1 97 97 ALA CB C 13 18.148 0.3 . 1 . . . . 91 ALA CB . 17300 1 1146 . 1 1 97 97 ALA N N 15 120.592 0.3 . 1 . . . . 91 ALA N . 17300 1 1147 . 1 1 98 98 VAL H H 1 7.177 0.020 . 1 . . . . 92 VAL H . 17300 1 1148 . 1 1 98 98 VAL HA H 1 4.368 0.020 . 1 . . . . 92 VAL HA . 17300 1 1149 . 1 1 98 98 VAL HB H 1 1.965 0.020 . 1 . . . . 92 VAL HB . 17300 1 1150 . 1 1 98 98 VAL HG11 H 1 0.831 0.020 . 1 . . . . 92 VAL HG1 . 17300 1 1151 . 1 1 98 98 VAL HG12 H 1 0.831 0.020 . 1 . . . . 92 VAL HG1 . 17300 1 1152 . 1 1 98 98 VAL HG13 H 1 0.831 0.020 . 1 . . . . 92 VAL HG1 . 17300 1 1153 . 1 1 98 98 VAL HG21 H 1 0.721 0.020 . 1 . . . . 92 VAL HG2 . 17300 1 1154 . 1 1 98 98 VAL HG22 H 1 0.721 0.020 . 1 . . . . 92 VAL HG2 . 17300 1 1155 . 1 1 98 98 VAL HG23 H 1 0.721 0.020 . 1 . . . . 92 VAL HG2 . 17300 1 1156 . 1 1 98 98 VAL C C 13 174.581 0.3 . 1 . . . . 92 VAL C . 17300 1 1157 . 1 1 98 98 VAL CA C 13 60.039 0.3 . 1 . . . . 92 VAL CA . 17300 1 1158 . 1 1 98 98 VAL CB C 13 34.488 0.3 . 1 . . . . 92 VAL CB . 17300 1 1159 . 1 1 98 98 VAL CG1 C 13 22.237 0.3 . 1 . . . . 92 VAL CG1 . 17300 1 1160 . 1 1 98 98 VAL CG2 C 13 19.274 0.3 . 1 . . . . 92 VAL CG2 . 17300 1 1161 . 1 1 98 98 VAL N N 15 118.281 0.3 . 1 . . . . 92 VAL N . 17300 1 1162 . 1 1 99 99 SER H H 1 8.499 0.020 . 1 . . . . 93 SER H . 17300 1 1163 . 1 1 99 99 SER HA H 1 4.344 0.020 . 1 . . . . 93 SER HA . 17300 1 1164 . 1 1 99 99 SER HB2 H 1 4.311 0.020 . 2 . . . . 93 SER HB2 . 17300 1 1165 . 1 1 99 99 SER HB3 H 1 3.987 0.020 . 2 . . . . 93 SER HB3 . 17300 1 1166 . 1 1 99 99 SER C C 13 174.599 0.3 . 1 . . . . 93 SER C . 17300 1 1167 . 1 1 99 99 SER CA C 13 57.003 0.3 . 1 . . . . 93 SER CA . 17300 1 1168 . 1 1 99 99 SER CB C 13 65.411 0.3 . 1 . . . . 93 SER CB . 17300 1 1169 . 1 1 99 99 SER N N 15 117.964 0.3 . 1 . . . . 93 SER N . 17300 1 1170 . 1 1 100 100 LYS H H 1 9.071 0.020 . 1 . . . . 94 LYS H . 17300 1 1171 . 1 1 100 100 LYS HA H 1 3.632 0.020 . 1 . . . . 94 LYS HA . 17300 1 1172 . 1 1 100 100 LYS HB2 H 1 1.934 0.020 . 2 . . . . 94 LYS HB2 . 17300 1 1173 . 1 1 100 100 LYS HB3 H 1 1.876 0.020 . 2 . . . . 94 LYS HB3 . 17300 1 1174 . 1 1 100 100 LYS HG2 H 1 1.362 0.020 . 2 . . . . 94 LYS HG2 . 17300 1 1175 . 1 1 100 100 LYS HG3 H 1 1.190 0.020 . 2 . . . . 94 LYS HG3 . 17300 1 1176 . 1 1 100 100 LYS HD2 H 1 1.726 0.020 . 2 . . . . 94 LYS HD2 . 17300 1 1177 . 1 1 100 100 LYS HD3 H 1 1.671 0.020 . 2 . . . . 94 LYS HD3 . 17300 1 1178 . 1 1 100 100 LYS HE2 H 1 2.954 0.020 . 2 . . . . 94 LYS HE2 . 17300 1 1179 . 1 1 100 100 LYS HE3 H 1 2.813 0.020 . 2 . . . . 94 LYS HE3 . 17300 1 1180 . 1 1 100 100 LYS C C 13 178.340 0.3 . 1 . . . . 94 LYS C . 17300 1 1181 . 1 1 100 100 LYS CA C 13 60.831 0.3 . 1 . . . . 94 LYS CA . 17300 1 1182 . 1 1 100 100 LYS CB C 13 32.617 0.3 . 1 . . . . 94 LYS CB . 17300 1 1183 . 1 1 100 100 LYS CG C 13 25.194 0.3 . 1 . . . . 94 LYS CG . 17300 1 1184 . 1 1 100 100 LYS CD C 13 29.314 0.3 . 1 . . . . 94 LYS CD . 17300 1 1185 . 1 1 100 100 LYS CE C 13 41.861 0.3 . 1 . . . . 94 LYS CE . 17300 1 1186 . 1 1 100 100 LYS N N 15 121.133 0.3 . 1 . . . . 94 LYS N . 17300 1 1187 . 1 1 101 101 SER H H 1 8.554 0.020 . 1 . . . . 95 SER H . 17300 1 1188 . 1 1 101 101 SER HA H 1 3.927 0.020 . 1 . . . . 95 SER HA . 17300 1 1189 . 1 1 101 101 SER HB2 H 1 3.996 0.020 . 2 . . . . 95 SER HB2 . 17300 1 1190 . 1 1 101 101 SER HB3 H 1 3.857 0.020 . 2 . . . . 95 SER HB3 . 17300 1 1191 . 1 1 101 101 SER C C 13 176.630 0.3 . 1 . . . . 95 SER C . 17300 1 1192 . 1 1 101 101 SER CA C 13 61.597 0.3 . 1 . . . . 95 SER CA . 17300 1 1193 . 1 1 101 101 SER CB C 13 62.216 0.3 . 1 . . . . 95 SER CB . 17300 1 1194 . 1 1 101 101 SER N N 15 112.049 0.3 . 1 . . . . 95 SER N . 17300 1 1195 . 1 1 102 102 SER H H 1 7.898 0.020 . 1 . . . . 96 SER H . 17300 1 1196 . 1 1 102 102 SER HA H 1 4.239 0.020 . 1 . . . . 96 SER HA . 17300 1 1197 . 1 1 102 102 SER HB2 H 1 3.920 0.020 . 2 . . . . 96 SER HB2 . 17300 1 1198 . 1 1 102 102 SER HB3 H 1 3.834 0.020 . 2 . . . . 96 SER HB3 . 17300 1 1199 . 1 1 102 102 SER C C 13 177.449 0.3 . 1 . . . . 96 SER C . 17300 1 1200 . 1 1 102 102 SER CA C 13 61.973 0.3 . 1 . . . . 96 SER CA . 17300 1 1201 . 1 1 102 102 SER CB C 13 62.937 0.3 . 1 . . . . 96 SER CB . 17300 1 1202 . 1 1 102 102 SER N N 15 118.955 0.3 . 1 . . . . 96 SER N . 17300 1 1203 . 1 1 103 103 ILE H H 1 8.041 0.020 . 1 . . . . 97 ILE H . 17300 1 1204 . 1 1 103 103 ILE HA H 1 3.479 0.020 . 1 . . . . 97 ILE HA . 17300 1 1205 . 1 1 103 103 ILE HB H 1 1.708 0.020 . 1 . . . . 97 ILE HB . 17300 1 1206 . 1 1 103 103 ILE HG12 H 1 1.850 0.020 . 2 . . . . 97 ILE HG12 . 17300 1 1207 . 1 1 103 103 ILE HG13 H 1 1.822 0.020 . 2 . . . . 97 ILE HG13 . 17300 1 1208 . 1 1 103 103 ILE HG21 H 1 0.606 0.020 . 1 . . . . 97 ILE HG2 . 17300 1 1209 . 1 1 103 103 ILE HG22 H 1 0.606 0.020 . 1 . . . . 97 ILE HG2 . 17300 1 1210 . 1 1 103 103 ILE HG23 H 1 0.606 0.020 . 1 . . . . 97 ILE HG2 . 17300 1 1211 . 1 1 103 103 ILE HD11 H 1 0.524 0.020 . 1 . . . . 97 ILE HD1 . 17300 1 1212 . 1 1 103 103 ILE HD12 H 1 0.524 0.020 . 1 . . . . 97 ILE HD1 . 17300 1 1213 . 1 1 103 103 ILE HD13 H 1 0.524 0.020 . 1 . . . . 97 ILE HD1 . 17300 1 1214 . 1 1 103 103 ILE C C 13 177.734 0.3 . 1 . . . . 97 ILE C . 17300 1 1215 . 1 1 103 103 ILE CA C 13 65.862 0.3 . 1 . . . . 97 ILE CA . 17300 1 1216 . 1 1 103 103 ILE CB C 13 37.252 0.3 . 1 . . . . 97 ILE CB . 17300 1 1217 . 1 1 103 103 ILE CG1 C 13 28.617 0.3 . 1 . . . . 97 ILE CG1 . 17300 1 1218 . 1 1 103 103 ILE CG2 C 13 18.751 0.3 . 1 . . . . 97 ILE CG2 . 17300 1 1219 . 1 1 103 103 ILE CD1 C 13 13.495 0.3 . 1 . . . . 97 ILE CD1 . 17300 1 1220 . 1 1 103 103 ILE N N 15 124.129 0.3 . 1 . . . . 97 ILE N . 17300 1 1221 . 1 1 104 104 LYS H H 1 8.326 0.020 . 1 . . . . 98 LYS H . 17300 1 1222 . 1 1 104 104 LYS HA H 1 3.734 0.020 . 1 . . . . 98 LYS HA . 17300 1 1223 . 1 1 104 104 LYS HB2 H 1 1.898 0.020 . 2 . . . . 98 LYS HB2 . 17300 1 1224 . 1 1 104 104 LYS HB3 H 1 1.841 0.020 . 2 . . . . 98 LYS HB3 . 17300 1 1225 . 1 1 104 104 LYS HG2 H 1 1.550 0.020 . 2 . . . . 98 LYS HG2 . 17300 1 1226 . 1 1 104 104 LYS HG3 H 1 1.485 0.020 . 2 . . . . 98 LYS HG3 . 17300 1 1227 . 1 1 104 104 LYS HD2 H 1 1.866 0.020 . 2 . . . . 98 LYS HD2 . 17300 1 1228 . 1 1 104 104 LYS HD3 H 1 1.729 0.020 . 2 . . . . 98 LYS HD3 . 17300 1 1229 . 1 1 104 104 LYS HE2 H 1 2.323 0.020 . 2 . . . . 98 LYS HE2 . 17300 1 1230 . 1 1 104 104 LYS HE3 H 1 2.166 0.020 . 2 . . . . 98 LYS HE3 . 17300 1 1231 . 1 1 104 104 LYS C C 13 179.213 0.3 . 1 . . . . 98 LYS C . 17300 1 1232 . 1 1 104 104 LYS CA C 13 60.958 0.3 . 1 . . . . 98 LYS CA . 17300 1 1233 . 1 1 104 104 LYS CB C 13 31.107 0.3 . 1 . . . . 98 LYS CB . 17300 1 1234 . 1 1 104 104 LYS CG C 13 26.250 0.3 . 1 . . . . 98 LYS CG . 17300 1 1235 . 1 1 104 104 LYS CD C 13 29.630 0.3 . 1 . . . . 98 LYS CD . 17300 1 1236 . 1 1 104 104 LYS CE C 13 35.757 0.3 . 1 . . . . 98 LYS CE . 17300 1 1237 . 1 1 104 104 LYS N N 15 119.271 0.3 . 1 . . . . 98 LYS N . 17300 1 1238 . 1 1 105 105 ASP H H 1 8.104 0.020 . 1 . . . . 99 ASP H . 17300 1 1239 . 1 1 105 105 ASP HA H 1 4.392 0.020 . 1 . . . . 99 ASP HA . 17300 1 1240 . 1 1 105 105 ASP HB2 H 1 2.724 0.020 . 2 . . . . 99 ASP HB2 . 17300 1 1241 . 1 1 105 105 ASP HB3 H 1 2.585 0.020 . 2 . . . . 99 ASP HB3 . 17300 1 1242 . 1 1 105 105 ASP C C 13 177.521 0.3 . 1 . . . . 99 ASP C . 17300 1 1243 . 1 1 105 105 ASP CA C 13 57.355 0.3 . 1 . . . . 99 ASP CA . 17300 1 1244 . 1 1 105 105 ASP CB C 13 40.219 0.3 . 1 . . . . 99 ASP CB . 17300 1 1245 . 1 1 105 105 ASP CG C 13 178.910 0.3 . 1 . . . . 99 ASP CG . 17300 1 1246 . 1 1 105 105 ASP N N 15 119.534 0.3 . 1 . . . . 99 ASP N . 17300 1 1247 . 1 1 106 106 MET H H 1 7.584 0.020 . 1 . . . . 100 MET H . 17300 1 1248 . 1 1 106 106 MET HA H 1 4.040 0.020 . 1 . . . . 100 MET HA . 17300 1 1249 . 1 1 106 106 MET HB2 H 1 2.206 0.020 . 2 . . . . 100 MET HB2 . 17300 1 1250 . 1 1 106 106 MET HB3 H 1 2.129 0.020 . 2 . . . . 100 MET HB3 . 17300 1 1251 . 1 1 106 106 MET HG2 H 1 2.462 0.020 . 2 . . . . 100 MET HG2 . 17300 1 1252 . 1 1 106 106 MET HG3 H 1 2.434 0.020 . 2 . . . . 100 MET HG3 . 17300 1 1253 . 1 1 106 106 MET C C 13 178.483 0.3 . 1 . . . . 100 MET C . 17300 1 1254 . 1 1 106 106 MET CA C 13 58.880 0.3 . 1 . . . . 100 MET CA . 17300 1 1255 . 1 1 106 106 MET CB C 13 32.340 0.3 . 1 . . . . 100 MET CB . 17300 1 1256 . 1 1 106 106 MET CG C 13 30.841 0.3 . 1 . . . . 100 MET CG . 17300 1 1257 . 1 1 106 106 MET CE C 13 18.668 0.3 . 1 . . . . 100 MET CE . 17300 1 1258 . 1 1 106 106 MET N N 15 120.559 0.3 . 1 . . . . 100 MET N . 17300 1 1259 . 1 1 107 107 ILE H H 1 8.258 0.020 . 1 . . . . 101 ILE H . 17300 1 1260 . 1 1 107 107 ILE HA H 1 3.365 0.020 . 1 . . . . 101 ILE HA . 17300 1 1261 . 1 1 107 107 ILE HB H 1 1.745 0.020 . 1 . . . . 101 ILE HB . 17300 1 1262 . 1 1 107 107 ILE HG12 H 1 1.575 0.020 . 2 . . . . 101 ILE HG12 . 17300 1 1263 . 1 1 107 107 ILE HG13 H 1 0.512 0.020 . 2 . . . . 101 ILE HG13 . 17300 1 1264 . 1 1 107 107 ILE HG21 H 1 0.423 0.020 . 1 . . . . 101 ILE HG2 . 17300 1 1265 . 1 1 107 107 ILE HG22 H 1 0.423 0.020 . 1 . . . . 101 ILE HG2 . 17300 1 1266 . 1 1 107 107 ILE HG23 H 1 0.423 0.020 . 1 . . . . 101 ILE HG2 . 17300 1 1267 . 1 1 107 107 ILE HD11 H 1 0.143 0.020 . 1 . . . . 101 ILE HD1 . 17300 1 1268 . 1 1 107 107 ILE HD12 H 1 0.143 0.020 . 1 . . . . 101 ILE HD1 . 17300 1 1269 . 1 1 107 107 ILE HD13 H 1 0.143 0.020 . 1 . . . . 101 ILE HD1 . 17300 1 1270 . 1 1 107 107 ILE C C 13 177.717 0.3 . 1 . . . . 101 ILE C . 17300 1 1271 . 1 1 107 107 ILE CA C 13 64.793 0.3 . 1 . . . . 101 ILE CA . 17300 1 1272 . 1 1 107 107 ILE CB C 13 37.806 0.3 . 1 . . . . 101 ILE CB . 17300 1 1273 . 1 1 107 107 ILE CG1 C 13 29.147 0.3 . 1 . . . . 101 ILE CG1 . 17300 1 1274 . 1 1 107 107 ILE CG2 C 13 17.856 0.3 . 1 . . . . 101 ILE CG2 . 17300 1 1275 . 1 1 107 107 ILE CD1 C 13 13.295 0.3 . 1 . . . . 101 ILE CD1 . 17300 1 1276 . 1 1 107 107 ILE N N 15 118.945 0.3 . 1 . . . . 101 ILE N . 17300 1 1277 . 1 1 108 108 ALA H H 1 8.321 0.020 . 1 . . . . 102 ALA H . 17300 1 1278 . 1 1 108 108 ALA HA H 1 3.981 0.020 . 1 . . . . 102 ALA HA . 17300 1 1279 . 1 1 108 108 ALA HB1 H 1 1.509 0.020 . 1 . . . . 102 ALA HB . 17300 1 1280 . 1 1 108 108 ALA HB2 H 1 1.509 0.020 . 1 . . . . 102 ALA HB . 17300 1 1281 . 1 1 108 108 ALA HB3 H 1 1.509 0.020 . 1 . . . . 102 ALA HB . 17300 1 1282 . 1 1 108 108 ALA C C 13 179.338 0.3 . 1 . . . . 102 ALA C . 17300 1 1283 . 1 1 108 108 ALA CA C 13 54.889 0.3 . 1 . . . . 102 ALA CA . 17300 1 1284 . 1 1 108 108 ALA CB C 13 18.228 0.3 . 1 . . . . 102 ALA CB . 17300 1 1285 . 1 1 108 108 ALA N N 15 121.909 0.3 . 1 . . . . 102 ALA N . 17300 1 1286 . 1 1 109 109 GLN H H 1 8.082 0.020 . 1 . . . . 103 GLN H . 17300 1 1287 . 1 1 109 109 GLN HA H 1 4.147 0.020 . 1 . . . . 103 GLN HA . 17300 1 1288 . 1 1 109 109 GLN HB2 H 1 2.086 0.020 . 2 . . . . 103 GLN HB2 . 17300 1 1289 . 1 1 109 109 GLN HB3 H 1 2.014 0.020 . 2 . . . . 103 GLN HB3 . 17300 1 1290 . 1 1 109 109 GLN HG2 H 1 2.481 0.020 . 2 . . . . 103 GLN HG2 . 17300 1 1291 . 1 1 109 109 GLN HG3 H 1 2.349 0.020 . 2 . . . . 103 GLN HG3 . 17300 1 1292 . 1 1 109 109 GLN HE21 H 1 7.585 0.020 . 1 . . . . 103 GLN HE21 . 17300 1 1293 . 1 1 109 109 GLN HE22 H 1 6.815 0.020 . 1 . . . . 103 GLN HE22 . 17300 1 1294 . 1 1 109 109 GLN C C 13 178.019 0.3 . 1 . . . . 103 GLN C . 17300 1 1295 . 1 1 109 109 GLN CA C 13 57.425 0.3 . 1 . . . . 103 GLN CA . 17300 1 1296 . 1 1 109 109 GLN CB C 13 29.448 0.3 . 1 . . . . 103 GLN CB . 17300 1 1297 . 1 1 109 109 GLN CG C 13 33.961 0.3 . 1 . . . . 103 GLN CG . 17300 1 1298 . 1 1 109 109 GLN CD C 13 180.333 0.3 . 1 . . . . 103 GLN CD . 17300 1 1299 . 1 1 109 109 GLN N N 15 112.970 0.3 . 1 . . . . 103 GLN N . 17300 1 1300 . 1 1 109 109 GLN NE2 N 15 112.131 0.3 . 1 . . . . 103 GLN NE2 . 17300 1 1301 . 1 1 110 110 LYS H H 1 8.185 0.020 . 1 . . . . 104 LYS H . 17300 1 1302 . 1 1 110 110 LYS HA H 1 4.481 0.020 . 1 . . . . 104 LYS HA . 17300 1 1303 . 1 1 110 110 LYS HB2 H 1 1.708 0.020 . 2 . . . . 104 LYS HB2 . 17300 1 1304 . 1 1 110 110 LYS HB3 H 1 1.593 0.020 . 2 . . . . 104 LYS HB3 . 17300 1 1305 . 1 1 110 110 LYS HG2 H 1 1.365 0.020 . 2 . . . . 104 LYS HG2 . 17300 1 1306 . 1 1 110 110 LYS HG3 H 1 1.338 0.020 . 2 . . . . 104 LYS HG3 . 17300 1 1307 . 1 1 110 110 LYS HD2 H 1 1.571 0.020 . 2 . . . . 104 LYS HD2 . 17300 1 1308 . 1 1 110 110 LYS HD3 H 1 1.484 0.020 . 2 . . . . 104 LYS HD3 . 17300 1 1309 . 1 1 110 110 LYS HE2 H 1 2.930 0.020 . 2 . . . . 104 LYS HE2 . 17300 1 1310 . 1 1 110 110 LYS HE3 H 1 2.906 0.020 . 2 . . . . 104 LYS HE3 . 17300 1 1311 . 1 1 110 110 LYS C C 13 176.630 0.3 . 1 . . . . 104 LYS C . 17300 1 1312 . 1 1 110 110 LYS CA C 13 55.474 0.3 . 1 . . . . 104 LYS CA . 17300 1 1313 . 1 1 110 110 LYS CB C 13 33.766 0.3 . 1 . . . . 104 LYS CB . 17300 1 1314 . 1 1 110 110 LYS CG C 13 25.114 0.3 . 1 . . . . 104 LYS CG . 17300 1 1315 . 1 1 110 110 LYS CD C 13 28.574 0.3 . 1 . . . . 104 LYS CD . 17300 1 1316 . 1 1 110 110 LYS CE C 13 41.883 0.3 . 1 . . . . 104 LYS CE . 17300 1 1317 . 1 1 110 110 LYS N N 15 114.101 0.3 . 1 . . . . 104 LYS N . 17300 1 1318 . 1 1 111 111 ALA H H 1 8.118 0.020 . 1 . . . . 105 ALA H . 17300 1 1319 . 1 1 111 111 ALA HA H 1 4.482 0.020 . 1 . . . . 105 ALA HA . 17300 1 1320 . 1 1 111 111 ALA HB1 H 1 1.425 0.020 . 1 . . . . 105 ALA HB . 17300 1 1321 . 1 1 111 111 ALA HB2 H 1 1.425 0.020 . 1 . . . . 105 ALA HB . 17300 1 1322 . 1 1 111 111 ALA HB3 H 1 1.425 0.020 . 1 . . . . 105 ALA HB . 17300 1 1323 . 1 1 111 111 ALA C C 13 176.933 0.3 . 1 . . . . 105 ALA C . 17300 1 1324 . 1 1 111 111 ALA CA C 13 53.177 0.3 . 1 . . . . 105 ALA CA . 17300 1 1325 . 1 1 111 111 ALA CB C 13 20.593 0.3 . 1 . . . . 105 ALA CB . 17300 1 1326 . 1 1 111 111 ALA N N 15 119.570 0.3 . 1 . . . . 105 ALA N . 17300 1 1327 . 1 1 112 112 LEU H H 1 7.663 0.020 . 1 . . . . 106 LEU H . 17300 1 1328 . 1 1 112 112 LEU HA H 1 4.437 0.020 . 1 . . . . 106 LEU HA . 17300 1 1329 . 1 1 112 112 LEU HB2 H 1 1.733 0.020 . 2 . . . . 106 LEU HB2 . 17300 1 1330 . 1 1 112 112 LEU HB3 H 1 1.671 0.020 . 2 . . . . 106 LEU HB3 . 17300 1 1331 . 1 1 112 112 LEU HG H 1 1.481 0.020 . 1 . . . . 106 LEU HG . 17300 1 1332 . 1 1 112 112 LEU HD11 H 1 0.923 0.020 . 1 . . . . 106 LEU HD1 . 17300 1 1333 . 1 1 112 112 LEU HD12 H 1 0.923 0.020 . 1 . . . . 106 LEU HD1 . 17300 1 1334 . 1 1 112 112 LEU HD13 H 1 0.923 0.020 . 1 . . . . 106 LEU HD1 . 17300 1 1335 . 1 1 112 112 LEU HD21 H 1 0.784 0.020 . 1 . . . . 106 LEU HD2 . 17300 1 1336 . 1 1 112 112 LEU HD22 H 1 0.784 0.020 . 1 . . . . 106 LEU HD2 . 17300 1 1337 . 1 1 112 112 LEU HD23 H 1 0.784 0.020 . 1 . . . . 106 LEU HD2 . 17300 1 1338 . 1 1 112 112 LEU C C 13 176.452 0.3 . 1 . . . . 106 LEU C . 17300 1 1339 . 1 1 112 112 LEU CA C 13 54.365 0.3 . 1 . . . . 106 LEU CA . 17300 1 1340 . 1 1 112 112 LEU CB C 13 41.966 0.3 . 1 . . . . 106 LEU CB . 17300 1 1341 . 1 1 112 112 LEU CG C 13 26.039 0.3 . 1 . . . . 106 LEU CG . 17300 1 1342 . 1 1 112 112 LEU CD1 C 13 25.194 0.3 . 1 . . . . 106 LEU CD1 . 17300 1 1343 . 1 1 112 112 LEU CD2 C 13 22.295 0.3 . 1 . . . . 106 LEU CD2 . 17300 1 1344 . 1 1 112 112 LEU N N 15 116.604 0.3 . 1 . . . . 106 LEU N . 17300 1 1345 . 1 1 113 113 GLY H H 1 7.555 0.020 . 1 . . . . 107 GLY H . 17300 1 1346 . 1 1 113 113 GLY HA2 H 1 3.792 0.020 . 2 . . . . 107 GLY HA2 . 17300 1 1347 . 1 1 113 113 GLY HA3 H 1 3.666 0.020 . 2 . . . . 107 GLY HA3 . 17300 1 1348 . 1 1 113 113 GLY CA C 13 46.006 0.3 . 1 . . . . 107 GLY CA . 17300 1 1349 . 1 1 113 113 GLY N N 15 114.434 0.3 . 1 . . . . 107 GLY N . 17300 1 stop_ save_