data_6912 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6912 _Entry.Title ; 1H, 13C, and 15N Resonance Assignments for the reduced form of Thioredoxin 1 from Sacharomyces cerevisae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-01 _Entry.Accession_date 2005-12-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Anderson Pinheiro . . . 6912 2 Gisele Amorim . . . 6912 3 Netto 'Luis Eduardo' . . . 6912 4 Valente 'Ana Paula' . . . 6912 5 Almeida Fabio . . . 6912 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6912 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 6912 '15N chemical shifts' 105 6912 '1H chemical shifts' 696 6912 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 . . 2007-02-08 2005-12-01 update BMRB 'complete entry citation' 6912 1 . . 2006-04-14 2005-12-01 original author 'original release' 6912 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I9H 'BMRB Entry Tracking System' 6912 . 6913 'thioredoxin 2' 6912 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6912 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16609834 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N Resonance Assignments for the Reduced Forms of Thioredoxin 1 and 2 from S. cerevisiae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 35 _Citation.Page_last 35 _Citation.Year 2006 _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 Anderson Pinheiro . S. . 6912 1 2 Gisele Amorim . C. . 6912 1 3 'Luis Eduardo' Netto . S. . 6912 1 4 'Ana Paula' Valente . . . 6912 1 5 Fabio Almeida . 'C. L.' . 6912 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6912 _Assembly.ID 1 _Assembly.Name 'yeast thioredoxin 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'yeast thioredoxin 1' 1 $yeast_thioredoxin_1_polypeptide . . no native no no . . . 6912 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_yeast_thioredoxin_1_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode yeast_thioredoxin_1_polypeptide _Entity.Entry_ID 6912 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Trx1 _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 ; MVTQFKTASEFDSAIAQDKL VVVDFYATWCGPCKMIAPMI EKFSEQYPQADFYKLDVDEL GDVAQKNEVSAMPTLLLFKN GKEVAKVVGANPAAIKQAIA ANA ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2I9H . "Nmr Solution Structure Of The Reduced Form Of Thioredoxin 1 From Yeast (Trx1)" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 2 no PDB 3F3Q . "Crystal Structure Of The Oxidised Form Of Thioredoxin 1 From Saccharomyces Cerevisiae" . . . . . 100.00 109 100.00 100.00 3.55e-68 . . . . 6912 1 3 no PDB 3F3R . "Crystal Structure Of Yeast Thioredoxin1-Glutathione Mixed Disulfide Complex" . . . . . 100.00 109 99.03 99.03 5.42e-67 . . . . 6912 1 4 no DBJ GAA24928 . "K7_Trx1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 5 no EMBL CAA97572 . "TRX1 [Saccharomyces cerevisiae]" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 6 no EMBL CAY81281 . "Trx1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 7 no GB AAA35171 . "thioredoxin II [Saccharomyces cerevisiae]" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 8 no GB AAA35177 . "thioredoxin 1 [Saccharomyces cerevisiae]" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 9 no GB AAS56529 . "YLR043C [Saccharomyces cerevisiae]" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 10 no GB AHY78447 . "Trx1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 11 no GB EDN59589 . "thioredoxin reductase [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 12 no REF NP_013144 . "thioredoxin TRX1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 13 no SP P22217 . "RecName: Full=Thioredoxin-1; AltName: Full=Thioredoxin I; Short=TR-I; AltName: Full=Thioredoxin-2 [Saccharomyces cerevisiae S28" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 14 no TPG DAA09361 . "TPA: thioredoxin TRX1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 103 100.00 100.00 2.03e-67 . . . . 6912 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6912 1 2 . VAL . 6912 1 3 . THR . 6912 1 4 . GLN . 6912 1 5 . PHE . 6912 1 6 . LYS . 6912 1 7 . THR . 6912 1 8 . ALA . 6912 1 9 . SER . 6912 1 10 . GLU . 6912 1 11 . PHE . 6912 1 12 . ASP . 6912 1 13 . SER . 6912 1 14 . ALA . 6912 1 15 . ILE . 6912 1 16 . ALA . 6912 1 17 . GLN . 6912 1 18 . ASP . 6912 1 19 . LYS . 6912 1 20 . LEU . 6912 1 21 . VAL . 6912 1 22 . VAL . 6912 1 23 . VAL . 6912 1 24 . ASP . 6912 1 25 . PHE . 6912 1 26 . TYR . 6912 1 27 . ALA . 6912 1 28 . THR . 6912 1 29 . TRP . 6912 1 30 . CYS . 6912 1 31 . GLY . 6912 1 32 . PRO . 6912 1 33 . CYS . 6912 1 34 . LYS . 6912 1 35 . MET . 6912 1 36 . ILE . 6912 1 37 . ALA . 6912 1 38 . PRO . 6912 1 39 . MET . 6912 1 40 . ILE . 6912 1 41 . GLU . 6912 1 42 . LYS . 6912 1 43 . PHE . 6912 1 44 . SER . 6912 1 45 . GLU . 6912 1 46 . GLN . 6912 1 47 . TYR . 6912 1 48 . PRO . 6912 1 49 . GLN . 6912 1 50 . ALA . 6912 1 51 . ASP . 6912 1 52 . PHE . 6912 1 53 . TYR . 6912 1 54 . LYS . 6912 1 55 . LEU . 6912 1 56 . ASP . 6912 1 57 . VAL . 6912 1 58 . ASP . 6912 1 59 . GLU . 6912 1 60 . LEU . 6912 1 61 . GLY . 6912 1 62 . ASP . 6912 1 63 . VAL . 6912 1 64 . ALA . 6912 1 65 . GLN . 6912 1 66 . LYS . 6912 1 67 . ASN . 6912 1 68 . GLU . 6912 1 69 . VAL . 6912 1 70 . SER . 6912 1 71 . ALA . 6912 1 72 . MET . 6912 1 73 . PRO . 6912 1 74 . THR . 6912 1 75 . LEU . 6912 1 76 . LEU . 6912 1 77 . LEU . 6912 1 78 . PHE . 6912 1 79 . LYS . 6912 1 80 . ASN . 6912 1 81 . GLY . 6912 1 82 . LYS . 6912 1 83 . GLU . 6912 1 84 . VAL . 6912 1 85 . ALA . 6912 1 86 . LYS . 6912 1 87 . VAL . 6912 1 88 . VAL . 6912 1 89 . GLY . 6912 1 90 . ALA . 6912 1 91 . ASN . 6912 1 92 . PRO . 6912 1 93 . ALA . 6912 1 94 . ALA . 6912 1 95 . ILE . 6912 1 96 . LYS . 6912 1 97 . GLN . 6912 1 98 . ALA . 6912 1 99 . ILE . 6912 1 100 . ALA . 6912 1 101 . ALA . 6912 1 102 . ASN . 6912 1 103 . ALA . 6912 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6912 1 . VAL 2 2 6912 1 . THR 3 3 6912 1 . GLN 4 4 6912 1 . PHE 5 5 6912 1 . LYS 6 6 6912 1 . THR 7 7 6912 1 . ALA 8 8 6912 1 . SER 9 9 6912 1 . GLU 10 10 6912 1 . PHE 11 11 6912 1 . ASP 12 12 6912 1 . SER 13 13 6912 1 . ALA 14 14 6912 1 . ILE 15 15 6912 1 . ALA 16 16 6912 1 . GLN 17 17 6912 1 . ASP 18 18 6912 1 . LYS 19 19 6912 1 . LEU 20 20 6912 1 . VAL 21 21 6912 1 . VAL 22 22 6912 1 . VAL 23 23 6912 1 . ASP 24 24 6912 1 . PHE 25 25 6912 1 . TYR 26 26 6912 1 . ALA 27 27 6912 1 . THR 28 28 6912 1 . TRP 29 29 6912 1 . CYS 30 30 6912 1 . GLY 31 31 6912 1 . PRO 32 32 6912 1 . CYS 33 33 6912 1 . LYS 34 34 6912 1 . MET 35 35 6912 1 . ILE 36 36 6912 1 . ALA 37 37 6912 1 . PRO 38 38 6912 1 . MET 39 39 6912 1 . ILE 40 40 6912 1 . GLU 41 41 6912 1 . LYS 42 42 6912 1 . PHE 43 43 6912 1 . SER 44 44 6912 1 . GLU 45 45 6912 1 . GLN 46 46 6912 1 . TYR 47 47 6912 1 . PRO 48 48 6912 1 . GLN 49 49 6912 1 . ALA 50 50 6912 1 . ASP 51 51 6912 1 . PHE 52 52 6912 1 . TYR 53 53 6912 1 . LYS 54 54 6912 1 . LEU 55 55 6912 1 . ASP 56 56 6912 1 . VAL 57 57 6912 1 . ASP 58 58 6912 1 . GLU 59 59 6912 1 . LEU 60 60 6912 1 . GLY 61 61 6912 1 . ASP 62 62 6912 1 . VAL 63 63 6912 1 . ALA 64 64 6912 1 . GLN 65 65 6912 1 . LYS 66 66 6912 1 . ASN 67 67 6912 1 . GLU 68 68 6912 1 . VAL 69 69 6912 1 . SER 70 70 6912 1 . ALA 71 71 6912 1 . MET 72 72 6912 1 . PRO 73 73 6912 1 . THR 74 74 6912 1 . LEU 75 75 6912 1 . LEU 76 76 6912 1 . LEU 77 77 6912 1 . PHE 78 78 6912 1 . LYS 79 79 6912 1 . ASN 80 80 6912 1 . GLY 81 81 6912 1 . LYS 82 82 6912 1 . GLU 83 83 6912 1 . VAL 84 84 6912 1 . ALA 85 85 6912 1 . LYS 86 86 6912 1 . VAL 87 87 6912 1 . VAL 88 88 6912 1 . GLY 89 89 6912 1 . ALA 90 90 6912 1 . ASN 91 91 6912 1 . PRO 92 92 6912 1 . ALA 93 93 6912 1 . ALA 94 94 6912 1 . ILE 95 95 6912 1 . LYS 96 96 6912 1 . GLN 97 97 6912 1 . ALA 98 98 6912 1 . ILE 99 99 6912 1 . ALA 100 100 6912 1 . ALA 101 101 6912 1 . ASN 102 102 6912 1 . ALA 103 103 6912 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 6912 _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 $yeast_thioredoxin_1_polypeptide . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Metazoa Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6912 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 6912 _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 $yeast_thioredoxin_1_polypeptide . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6912 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6912 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'thioredoxin 2' '[U-13C; U-15N]' . . 1 $yeast_thioredoxin_1_polypeptide . . 1 . . mM . . . . 6912 1 2 2-mercaptoethanol . . . . . . . 3 . . mM . . . . 6912 1 3 H2O . . . . . . . 90 . . % . . . . 6912 1 4 D2O . . . . . . . 10 . . % . . . . 6912 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6912 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'thioredoxin 2' [U-15N] . . 1 $yeast_thioredoxin_1_polypeptide . . 1.2 . . mM . . . . 6912 2 2 DTT . . . . . . . 3 . . mM . . . . 6912 2 3 H2O . . . . . . . 90 . . % . . . . 6912 2 4 D2O . . . . . . . 10 . . % . . . . 6912 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6912 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'thioredoxin 2' . . . 1 $yeast_thioredoxin_1_polypeptide . . 1.2 . . mM . . . . 6912 3 2 DTT . . . . . . . 3 . . mM . . . . 6912 3 3 D2O . . . . . . . 99 . . % . . . . 6912 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6912 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 pH 6912 1 temperature 308 0.2 K 6912 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 6912 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6912 _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 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6912 1 2 HN(CO)CA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6912 1 3 HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6912 1 4 CBCA(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6912 1 5 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6912 1 6 H(CCO)NH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6912 1 7 (H)CC(CO)NH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6912 1 8 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6912 1 9 1H-1H_TOCSY_2D no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6912 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6912 _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 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6912 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6912 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6912 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6912 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6912 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 1 1 MET HA H 1 4.15 0.02 . 1 . . . . 1 MET HA . 6912 1 2 . 1 1 1 1 MET HB2 H 1 2.47 0.02 . 1 . . . . 1 MET HB1 . 6912 1 3 . 1 1 1 1 MET HB3 H 1 2.47 0.02 . 1 . . . . 1 MET HB2 . 6912 1 4 . 1 1 1 1 MET HG2 H 1 2.09 0.02 . 2 . . . . 1 MET HG1 . 6912 1 5 . 1 1 1 1 MET HG3 H 1 1.98 0.02 . 2 . . . . 1 MET HG2 . 6912 1 6 . 1 1 1 1 MET CA C 13 52.2 0.2 . 1 . . . . 1 MET CA . 6912 1 7 . 1 1 1 1 MET CB C 13 30.2 0.2 . 1 . . . . 1 MET CB . 6912 1 8 . 1 1 1 1 MET CG C 13 27.9 0.2 . 1 . . . . 1 MET CG . 6912 1 9 . 1 1 2 2 VAL H H 1 8.65 0.02 . 1 . . . . 2 VAL HN . 6912 1 10 . 1 1 2 2 VAL HA H 1 4.16 0.02 . 1 . . . . 2 VAL HA . 6912 1 11 . 1 1 2 2 VAL HB H 1 1.86 0.02 . 1 . . . . 2 VAL HB . 6912 1 12 . 1 1 2 2 VAL HG11 H 1 0.62 0.02 . 2 . . . . 2 VAL HG11 . 6912 1 13 . 1 1 2 2 VAL HG12 H 1 0.62 0.02 . 2 . . . . 2 VAL HG11 . 6912 1 14 . 1 1 2 2 VAL HG13 H 1 0.62 0.02 . 2 . . . . 2 VAL HG11 . 6912 1 15 . 1 1 2 2 VAL HG21 H 1 0.72 0.02 . 2 . . . . 2 VAL HG21 . 6912 1 16 . 1 1 2 2 VAL HG22 H 1 0.72 0.02 . 2 . . . . 2 VAL HG21 . 6912 1 17 . 1 1 2 2 VAL HG23 H 1 0.72 0.02 . 2 . . . . 2 VAL HG21 . 6912 1 18 . 1 1 2 2 VAL C C 13 167.5 0.2 . 1 . . . . 2 VAL C . 6912 1 19 . 1 1 2 2 VAL CA C 13 58.9 0.2 . 1 . . . . 2 VAL CA . 6912 1 20 . 1 1 2 2 VAL CB C 13 30.2 0.2 . 1 . . . . 2 VAL CB . 6912 1 21 . 1 1 2 2 VAL CG1 C 13 18.4 0.2 . 1 . . . . 2 VAL CG1 . 6912 1 22 . 1 1 2 2 VAL CG2 C 13 18.4 0.2 . 1 . . . . 2 VAL CG2 . 6912 1 23 . 1 1 2 2 VAL N N 15 124.9 0.2 . 1 . . . . 2 VAL N . 6912 1 24 . 1 1 3 3 THR H H 1 7.85 0.02 . 1 . . . . 3 THR HN . 6912 1 25 . 1 1 3 3 THR HA H 1 4.21 0.02 . 1 . . . . 3 THR HA . 6912 1 26 . 1 1 3 3 THR HB H 1 3.70 0.02 . 1 . . . . 3 THR HB . 6912 1 27 . 1 1 3 3 THR HG21 H 1 1.16 0.02 . 1 . . . . 3 THR HG21 . 6912 1 28 . 1 1 3 3 THR HG22 H 1 1.16 0.02 . 1 . . . . 3 THR HG21 . 6912 1 29 . 1 1 3 3 THR HG23 H 1 1.16 0.02 . 1 . . . . 3 THR HG21 . 6912 1 30 . 1 1 3 3 THR C C 13 171.6 0.2 . 1 . . . . 3 THR C . 6912 1 31 . 1 1 3 3 THR CA C 13 60.6 0.2 . 1 . . . . 3 THR CA . 6912 1 32 . 1 1 3 3 THR CB C 13 67.4 0.2 . 1 . . . . 3 THR CB . 6912 1 33 . 1 1 3 3 THR CG2 C 13 19.3 0.2 . 1 . . . . 3 THR CG2 . 6912 1 34 . 1 1 3 3 THR N N 15 123.2 0.2 . 1 . . . . 3 THR N . 6912 1 35 . 1 1 4 4 GLN H H 1 8.07 0.02 . 1 . . . . 4 GLN HN . 6912 1 36 . 1 1 4 4 GLN HA H 1 4.91 0.02 . 1 . . . . 4 GLN HA . 6912 1 37 . 1 1 4 4 GLN HB2 H 1 2.05 0.02 . 2 . . . . 4 GLN HB1 . 6912 1 38 . 1 1 4 4 GLN HG2 H 1 2.61 0.02 . 2 . . . . 4 GLN HG1 . 6912 1 39 . 1 1 4 4 GLN HG3 H 1 2.40 0.02 . 2 . . . . 4 GLN HG2 . 6912 1 40 . 1 1 4 4 GLN HE21 H 1 7.75 0.02 . 2 . . . . 4 GLN HE21 . 6912 1 41 . 1 1 4 4 GLN HE22 H 1 7.42 0.02 . 2 . . . . 4 GLN HE22 . 6912 1 42 . 1 1 4 4 GLN C C 13 169.6 0.2 . 1 . . . . 4 GLN C . 6912 1 43 . 1 1 4 4 GLN CA C 13 52.5 0.2 . 1 . . . . 4 GLN CA . 6912 1 44 . 1 1 4 4 GLN CB C 13 27.0 0.2 . 1 . . . . 4 GLN CB . 6912 1 45 . 1 1 4 4 GLN CG C 13 30.7 0.2 . 1 . . . . 4 GLN CG . 6912 1 46 . 1 1 4 4 GLN N N 15 127.5 0.2 . 1 . . . . 4 GLN N . 6912 1 47 . 1 1 4 4 GLN NE2 N 15 113.8 0.2 . 1 . . . . 4 GLN NE2 . 6912 1 48 . 1 1 5 5 PHE H H 1 8.56 0.02 . 1 . . . . 5 PHE HN . 6912 1 49 . 1 1 5 5 PHE HA H 1 4.87 0.02 . 1 . . . . 5 PHE HA . 6912 1 50 . 1 1 5 5 PHE HB2 H 1 3.11 0.02 . 2 . . . . 5 PHE HB1 . 6912 1 51 . 1 1 5 5 PHE HB3 H 1 2.65 0.02 . 2 . . . . 5 PHE HB2 . 6912 1 52 . 1 1 5 5 PHE HD1 H 1 7.17 0.02 . 1 . . . . 5 PHE HD1 . 6912 1 53 . 1 1 5 5 PHE HD2 H 1 7.17 0.02 . 1 . . . . 5 PHE HD2 . 6912 1 54 . 1 1 5 5 PHE HE1 H 1 6.71 0.02 . 1 . . . . 5 PHE HE1 . 6912 1 55 . 1 1 5 5 PHE HE2 H 1 6.71 0.02 . 1 . . . . 5 PHE HE2 . 6912 1 56 . 1 1 5 5 PHE HZ H 1 5.83 0.02 . 1 . . . . 5 PHE HZ . 6912 1 57 . 1 1 5 5 PHE C C 13 172.1 0.2 . 1 . . . . 5 PHE C . 6912 1 58 . 1 1 5 5 PHE CA C 13 56.7 0.2 . 1 . . . . 5 PHE CA . 6912 1 59 . 1 1 5 5 PHE CB C 13 37.9 0.2 . 1 . . . . 5 PHE CB . 6912 1 60 . 1 1 5 5 PHE CD1 C 13 127.4 0.2 . 3 . . . . 5 PHE CD1 . 6912 1 61 . 1 1 5 5 PHE CE1 C 13 129.5 0.2 . 3 . . . . 5 PHE CE1 . 6912 1 62 . 1 1 5 5 PHE CZ C 13 126.9 0.2 . 1 . . . . 5 PHE CZ . 6912 1 63 . 1 1 5 5 PHE N N 15 126.1 0.2 . 1 . . . . 5 PHE N . 6912 1 64 . 1 1 6 6 LYS H H 1 9.91 0.02 . 1 . . . . 6 LYS HN . 6912 1 65 . 1 1 6 6 LYS HA H 1 4.70 0.02 . 1 . . . . 6 LYS HA . 6912 1 66 . 1 1 6 6 LYS HB2 H 1 2.01 0.02 . 2 . . . . 6 LYS HB1 . 6912 1 67 . 1 1 6 6 LYS HB3 H 1 2.10 0.02 . 2 . . . . 6 LYS HB2 . 6912 1 68 . 1 1 6 6 LYS HG2 H 1 1.71 0.02 . 2 . . . . 6 LYS HG1 . 6912 1 69 . 1 1 6 6 LYS HG3 H 1 1.61 0.02 . 2 . . . . 6 LYS HG2 . 6912 1 70 . 1 1 6 6 LYS HD2 H 1 1.81 0.02 . 1 . . . . 6 LYS HD1 . 6912 1 71 . 1 1 6 6 LYS HD3 H 1 1.81 0.02 . 1 . . . . 6 LYS HD2 . 6912 1 72 . 1 1 6 6 LYS C C 13 172.4 0.2 . 1 . . . . 6 LYS C . 6912 1 73 . 1 1 6 6 LYS CA C 13 53.87 0.2 . 1 . . . . 6 LYS CA . 6912 1 74 . 1 1 6 6 LYS CB C 13 31.33 0.2 . 1 . . . . 6 LYS CB . 6912 1 75 . 1 1 6 6 LYS CG C 13 22.58 0.2 . 1 . . . . 6 LYS CG . 6912 1 76 . 1 1 6 6 LYS CD C 13 25.86 0.2 . 1 . . . . 6 LYS CD . 6912 1 77 . 1 1 6 6 LYS N N 15 119.1 0.2 . 1 . . . . 6 LYS N . 6912 1 78 . 1 1 7 7 THR H H 1 7.54 0.02 . 1 . . . . 7 THR HN . 6912 1 79 . 1 1 7 7 THR HA H 1 4.80 0.02 . 1 . . . . 7 THR HA . 6912 1 80 . 1 1 7 7 THR HB H 1 4.58 0.02 . 1 . . . . 7 THR HB . 6912 1 81 . 1 1 7 7 THR HG21 H 1 1.23 0.02 . 1 . . . . 7 THR HG21 . 6912 1 82 . 1 1 7 7 THR HG22 H 1 1.23 0.02 . 1 . . . . 7 THR HG21 . 6912 1 83 . 1 1 7 7 THR HG23 H 1 1.23 0.02 . 1 . . . . 7 THR HG21 . 6912 1 84 . 1 1 7 7 THR C C 13 173.3 0.2 . 1 . . . . 7 THR C . 6912 1 85 . 1 1 7 7 THR CA C 13 56.9 0.2 . 1 . . . . 7 THR CA . 6912 1 86 . 1 1 7 7 THR CB C 13 70.7 0.2 . 1 . . . . 7 THR CB . 6912 1 87 . 1 1 7 7 THR CG2 C 13 19.3 0.2 . 1 . . . . 7 THR CG2 . 6912 1 88 . 1 1 7 7 THR N N 15 106.9 0.2 . 1 . . . . 7 THR N . 6912 1 89 . 1 1 8 8 ALA H H 1 9.12 0.02 . 1 . . . . 8 ALA HN . 6912 1 90 . 1 1 8 8 ALA HA H 1 4.79 0.02 . 1 . . . . 8 ALA HA . 6912 1 91 . 1 1 8 8 ALA HB1 H 1 1.40 0.02 . 1 . . . . 8 ALA HB1 . 6912 1 92 . 1 1 8 8 ALA HB2 H 1 1.40 0.02 . 1 . . . . 8 ALA HB1 . 6912 1 93 . 1 1 8 8 ALA HB3 H 1 1.40 0.02 . 1 . . . . 8 ALA HB1 . 6912 1 94 . 1 1 8 8 ALA C C 13 170.24 0.2 . 1 . . . . 8 ALA C . 6912 1 95 . 1 1 8 8 ALA CA C 13 52.81 0.2 . 1 . . . . 8 ALA CA . 6912 1 96 . 1 1 8 8 ALA CB C 13 16.02 0.2 . 1 . . . . 8 ALA CB . 6912 1 97 . 1 1 8 8 ALA N N 15 123.69 0.2 . 1 . . . . 8 ALA N . 6912 1 98 . 1 1 9 9 SER H H 1 8.23 0.02 . 1 . . . . 9 SER HN . 6912 1 99 . 1 1 9 9 SER HA H 1 4.22 0.02 . 1 . . . . 9 SER HA . 6912 1 100 . 1 1 9 9 SER HB2 H 1 3.90 0.02 . 1 . . . . 9 SER HB1 . 6912 1 101 . 1 1 9 9 SER HB3 H 1 3.90 0.02 . 1 . . . . 9 SER HB2 . 6912 1 102 . 1 1 9 9 SER C C 13 175.6 0.2 . 1 . . . . 9 SER C . 6912 1 103 . 1 1 9 9 SER CA C 13 59.0 0.2 . 1 . . . . 9 SER CA . 6912 1 104 . 1 1 9 9 SER CB C 13 60.1 0.2 . 1 . . . . 9 SER CB . 6912 1 105 . 1 1 9 9 SER N N 15 112.5 0.2 . 1 . . . . 9 SER N . 6912 1 106 . 1 1 10 10 GLU H H 1 7.65 0.02 . 1 . . . . 10 GLU HN . 6912 1 107 . 1 1 10 10 GLU HA H 1 3.96 0.02 . 1 . . . . 10 GLU HA . 6912 1 108 . 1 1 10 10 GLU HB2 H 1 2.32 0.02 . 1 . . . . 10 GLU HB1 . 6912 1 109 . 1 1 10 10 GLU HB3 H 1 2.32 0.02 . 1 . . . . 10 GLU HB2 . 6912 1 110 . 1 1 10 10 GLU HG2 H 1 2.58 0.02 . 1 . . . . 10 GLU HG1 . 6912 1 111 . 1 1 10 10 GLU HG3 H 1 2.58 0.02 . 1 . . . . 10 GLU HG2 . 6912 1 112 . 1 1 10 10 GLU C C 13 171.2 0.2 . 1 . . . . 10 GLU C . 6912 1 113 . 1 1 10 10 GLU CA C 13 56.6 0.2 . 1 . . . . 10 GLU CA . 6912 1 114 . 1 1 10 10 GLU CB C 13 29.1 0.2 . 1 . . . . 10 GLU CB . 6912 1 115 . 1 1 10 10 GLU CG C 13 34.6 0.2 . 1 . . . . 10 GLU CG . 6912 1 116 . 1 1 10 10 GLU N N 15 121.8 0.2 . 1 . . . . 10 GLU N . 6912 1 117 . 1 1 11 11 PHE H H 1 6.76 0.02 . 1 . . . . 11 PHE HN . 6912 1 118 . 1 1 11 11 PHE HA H 1 2.94 0.02 . 1 . . . . 11 PHE HA . 6912 1 119 . 1 1 11 11 PHE HB2 H 1 1.59 0.02 . 1 . . . . 11 PHE HB1 . 6912 1 120 . 1 1 11 11 PHE HB3 H 1 1.59 0.02 . 1 . . . . 11 PHE HB2 . 6912 1 121 . 1 1 11 11 PHE HD1 H 1 6.76 0.02 . 1 . . . . 11 PHE HD1 . 6912 1 122 . 1 1 11 11 PHE HD2 H 1 6.76 0.02 . 1 . . . . 11 PHE HD2 . 6912 1 123 . 1 1 11 11 PHE HE1 H 1 7.01 0.02 . 1 . . . . 11 PHE HE1 . 6912 1 124 . 1 1 11 11 PHE HE2 H 1 7.01 0.02 . 1 . . . . 11 PHE HE2 . 6912 1 125 . 1 1 11 11 PHE C C 13 175.2 0.2 . 1 . . . . 11 PHE C . 6912 1 126 . 1 1 11 11 PHE CA C 13 58.6 0.2 . 1 . . . . 11 PHE CA . 6912 1 127 . 1 1 11 11 PHE CB C 13 35.7 0.2 . 1 . . . . 11 PHE CB . 6912 1 128 . 1 1 11 11 PHE CD1 C 13 130.0 0.2 . 3 . . . . 11 PHE CD1 . 6912 1 129 . 1 1 11 11 PHE CE1 C 13 127.9 0.2 . 3 . . . . 11 PHE CE1 . 6912 1 130 . 1 1 11 11 PHE N N 15 120.4 0.2 . 1 . . . . 11 PHE N . 6912 1 131 . 1 1 12 12 ASP H H 1 7.81 0.02 . 1 . . . . 12 ASP HN . 6912 1 132 . 1 1 12 12 ASP HA H 1 3.92 0.02 . 1 . . . . 12 ASP HA . 6912 1 133 . 1 1 12 12 ASP HB2 H 1 2.60 0.02 . 2 . . . . 12 ASP HB1 . 6912 1 134 . 1 1 12 12 ASP HB3 H 1 2.51 0.02 . 2 . . . . 12 ASP HB2 . 6912 1 135 . 1 1 12 12 ASP CA C 13 55.18 0.2 . 1 . . . . 12 ASP CA . 6912 1 136 . 1 1 12 12 ASP CB C 13 37.76 0.2 . 1 . . . . 12 ASP CB . 6912 1 137 . 1 1 12 12 ASP N N 15 117.6 0.2 . 1 . . . . 12 ASP N . 6912 1 138 . 1 1 13 13 SER H H 1 7.65 0.02 . 1 . . . . 13 SER HN . 6912 1 139 . 1 1 13 13 SER HA H 1 4.10 0.02 . 1 . . . . 13 SER HA . 6912 1 140 . 1 1 13 13 SER HB2 H 1 3.81 0.02 . 1 . . . . 13 SER HB1 . 6912 1 141 . 1 1 13 13 SER HB3 H 1 3.81 0.02 . 1 . . . . 13 SER HB2 . 6912 1 142 . 1 1 13 13 SER C C 13 175.2 0.2 . 1 . . . . 13 SER C . 6912 1 143 . 1 1 13 13 SER CA C 13 58.8 0.2 . 1 . . . . 13 SER CA . 6912 1 144 . 1 1 13 13 SER CB C 13 60.9 0.2 . 1 . . . . 13 SER CB . 6912 1 145 . 1 1 13 13 SER N N 15 111.8 0.2 . 1 . . . . 13 SER N . 6912 1 146 . 1 1 14 14 ALA H H 1 7.76 0.02 . 1 . . . . 14 ALA HN . 6912 1 147 . 1 1 14 14 ALA HA H 1 4.12 0.02 . 1 . . . . 14 ALA HA . 6912 1 148 . 1 1 14 14 ALA HB1 H 1 1.20 0.02 . 1 . . . . 14 ALA HB1 . 6912 1 149 . 1 1 14 14 ALA HB2 H 1 1.20 0.02 . 1 . . . . 14 ALA HB1 . 6912 1 150 . 1 1 14 14 ALA HB3 H 1 1.20 0.02 . 1 . . . . 14 ALA HB1 . 6912 1 151 . 1 1 14 14 ALA C C 13 172.7 0.2 . 1 . . . . 14 ALA C . 6912 1 152 . 1 1 14 14 ALA CA C 13 52.7 0.2 . 1 . . . . 14 ALA CA . 6912 1 153 . 1 1 14 14 ALA CB C 13 16.0 0.2 . 1 . . . . 14 ALA CB . 6912 1 154 . 1 1 14 14 ALA N N 15 123.6 0.2 . 1 . . . . 14 ALA N . 6912 1 155 . 1 1 15 15 ILE H H 1 7.30 0.02 . 1 . . . . 15 ILE HN . 6912 1 156 . 1 1 15 15 ILE HA H 1 3.82 0.02 . 1 . . . . 15 ILE HA . 6912 1 157 . 1 1 15 15 ILE HB H 1 1.14 0.02 . 1 . . . . 15 ILE HB . 6912 1 158 . 1 1 15 15 ILE HG12 H 1 0.71 0.02 . 1 . . . . 15 ILE HG11 . 6912 1 159 . 1 1 15 15 ILE HG13 H 1 0.64 0.02 . 1 . . . . 15 ILE HG12 . 6912 1 160 . 1 1 15 15 ILE HG21 H 1 -0.57 0.02 . 1 . . . . 15 ILE HG21 . 6912 1 161 . 1 1 15 15 ILE HG22 H 1 -0.57 0.02 . 1 . . . . 15 ILE HG21 . 6912 1 162 . 1 1 15 15 ILE HG23 H 1 -0.57 0.02 . 1 . . . . 15 ILE HG21 . 6912 1 163 . 1 1 15 15 ILE HD11 H 1 0.14 0.02 . 1 . . . . 15 ILE HD11 . 6912 1 164 . 1 1 15 15 ILE HD12 H 1 0.14 0.02 . 1 . . . . 15 ILE HD11 . 6912 1 165 . 1 1 15 15 ILE HD13 H 1 0.14 0.02 . 1 . . . . 15 ILE HD11 . 6912 1 166 . 1 1 15 15 ILE C C 13 176.8 0.2 . 1 . . . . 15 ILE C . 6912 1 167 . 1 1 15 15 ILE CA C 13 61.4 0.2 . 1 . . . . 15 ILE CA . 6912 1 168 . 1 1 15 15 ILE CB C 13 35.7 0.2 . 1 . . . . 15 ILE CB . 6912 1 169 . 1 1 15 15 ILE CG1 C 13 22.6 0.2 . 1 . . . . 15 ILE CG1 . 6912 1 170 . 1 1 15 15 ILE CG2 C 13 14.8 0.2 . 1 . . . . 15 ILE CG2 . 6912 1 171 . 1 1 15 15 ILE CD1 C 13 12.9 0.2 . 1 . . . . 15 ILE CD1 . 6912 1 172 . 1 1 15 15 ILE N N 15 106.9 0.2 . 1 . . . . 15 ILE N . 6912 1 173 . 1 1 16 16 ALA H H 1 6.72 0.02 . 1 . . . . 16 ALA HN . 6912 1 174 . 1 1 16 16 ALA HA H 1 4.08 0.02 . 1 . . . . 16 ALA HA . 6912 1 175 . 1 1 16 16 ALA HB1 H 1 1.37 0.02 . 1 . . . . 16 ALA HB1 . 6912 1 176 . 1 1 16 16 ALA HB2 H 1 1.37 0.02 . 1 . . . . 16 ALA HB1 . 6912 1 177 . 1 1 16 16 ALA HB3 H 1 1.37 0.02 . 1 . . . . 16 ALA HB1 . 6912 1 178 . 1 1 16 16 ALA C C 13 172.4 0.2 . 1 . . . . 16 ALA C . 6912 1 179 . 1 1 16 16 ALA CA C 13 49.7 0.2 . 1 . . . . 16 ALA CA . 6912 1 180 . 1 1 16 16 ALA CB C 13 16.0 0.2 . 1 . . . . 16 ALA CB . 6912 1 181 . 1 1 16 16 ALA N N 15 121.8 0.2 . 1 . . . . 16 ALA N . 6912 1 182 . 1 1 17 17 GLN H H 1 7.21 0.02 . 1 . . . . 17 GLN HN . 6912 1 183 . 1 1 17 17 GLN HA H 1 4.28 0.02 . 1 . . . . 17 GLN HA . 6912 1 184 . 1 1 17 17 GLN HB2 H 1 1.90 0.02 . 1 . . . . 17 GLN HB1 . 6912 1 185 . 1 1 17 17 GLN HB3 H 1 1.90 0.02 . 1 . . . . 17 GLN HB2 . 6912 1 186 . 1 1 17 17 GLN HG2 H 1 2.72 0.02 . 2 . . . . 17 GLN HG1 . 6912 1 187 . 1 1 17 17 GLN HG3 H 1 2.25 0.02 . 2 . . . . 17 GLN HG2 . 6912 1 188 . 1 1 17 17 GLN HE21 H 1 7.81 0.02 . 2 . . . . 17 GLN HE21 . 6912 1 189 . 1 1 17 17 GLN HE22 H 1 7.16 0.02 . 2 . . . . 17 GLN HE22 . 6912 1 190 . 1 1 17 17 GLN C C 13 173.5 0.2 . 1 . . . . 17 GLN C . 6912 1 191 . 1 1 17 17 GLN CA C 13 53.83 0.2 . 1 . . . . 17 GLN CA . 6912 1 192 . 1 1 17 17 GLN CB C 13 31.33 0.2 . 1 . . . . 17 GLN CB . 6912 1 193 . 1 1 17 17 GLN CG C 13 33.52 0.2 . 1 . . . . 17 GLN CG . 6912 1 194 . 1 1 17 17 GLN N N 15 114.90 0.2 . 1 . . . . 17 GLN N . 6912 1 195 . 1 1 17 17 GLN NE2 N 15 111.99 0.2 . 1 . . . . 17 GLN NE2 . 6912 1 196 . 1 1 18 18 ASP H H 1 8.73 0.02 . 1 . . . . 18 ASP HN . 6912 1 197 . 1 1 18 18 ASP HA H 1 4.79 0.02 . 1 . . . . 18 ASP HA . 6912 1 198 . 1 1 18 18 ASP HB2 H 1 2.76 0.02 . 2 . . . . 18 ASP HB1 . 6912 1 199 . 1 1 18 18 ASP HB3 H 1 2.55 0.02 . 2 . . . . 18 ASP HB2 . 6912 1 200 . 1 1 18 18 ASP C C 13 171.8 0.2 . 1 . . . . 18 ASP C . 6912 1 201 . 1 1 18 18 ASP CA C 13 51.0 0.2 . 1 . . . . 18 ASP CA . 6912 1 202 . 1 1 18 18 ASP CB C 13 36.8 0.2 . 1 . . . . 18 ASP CB . 6912 1 203 . 1 1 18 18 ASP N N 15 122.6 0.2 . 1 . . . . 18 ASP N . 6912 1 204 . 1 1 19 19 LYS H H 1 8.02 0.02 . 1 . . . . 19 LYS HN . 6912 1 205 . 1 1 19 19 LYS HA H 1 4.46 0.02 . 1 . . . . 19 LYS HA . 6912 1 206 . 1 1 19 19 LYS HB2 H 1 1.83 0.02 . 1 . . . . 19 LYS HB1 . 6912 1 207 . 1 1 19 19 LYS HB3 H 1 1.83 0.02 . 1 . . . . 19 LYS HB2 . 6912 1 208 . 1 1 19 19 LYS HG2 H 1 1.34 0.02 . 2 . . . . 19 LYS HG1 . 6912 1 209 . 1 1 19 19 LYS HG3 H 1 1.30 0.02 . 2 . . . . 19 LYS HG2 . 6912 1 210 . 1 1 19 19 LYS HD2 H 1 1.68 0.02 . 2 . . . . 19 LYS HD1 . 6912 1 211 . 1 1 19 19 LYS HD3 H 1 1.58 0.02 . 2 . . . . 19 LYS HD2 . 6912 1 212 . 1 1 19 19 LYS HE2 H 1 3.53 0.02 . 2 . . . . 19 LYS HE2 . 6912 1 213 . 1 1 19 19 LYS C C 13 171.6 0.2 . 1 . . . . 19 LYS C . 6912 1 214 . 1 1 19 19 LYS CA C 13 52.6 0.2 . 1 . . . . 19 LYS CA . 6912 1 215 . 1 1 19 19 LYS CB C 13 32.4 0.2 . 1 . . . . 19 LYS CB . 6912 1 216 . 1 1 19 19 LYS CG C 13 20.4 0.2 . 1 . . . . 19 LYS CG . 6912 1 217 . 1 1 19 19 LYS CE C 13 39.5 0.2 . 1 . . . . 19 LYS CE . 6912 1 218 . 1 1 19 19 LYS N N 15 118.4 0.2 . 1 . . . . 19 LYS N . 6912 1 219 . 1 1 20 20 LEU H H 1 8.73 0.02 . 1 . . . . 20 LEU HN . 6912 1 220 . 1 1 20 20 LEU HA H 1 4.78 0.02 . 1 . . . . 20 LEU HA . 6912 1 221 . 1 1 20 20 LEU HB2 H 1 1.36 0.02 . 2 . . . . 20 LEU HB1 . 6912 1 222 . 1 1 20 20 LEU HB3 H 1 1.87 0.02 . 2 . . . . 20 LEU HB2 . 6912 1 223 . 1 1 20 20 LEU HG H 1 1.30 0.02 . 1 . . . . 20 LEU HG . 6912 1 224 . 1 1 20 20 LEU HD11 H 1 0.81 0.02 . 2 . . . . 20 LEU HD11 . 6912 1 225 . 1 1 20 20 LEU HD12 H 1 0.81 0.02 . 2 . . . . 20 LEU HD11 . 6912 1 226 . 1 1 20 20 LEU HD13 H 1 0.81 0.02 . 2 . . . . 20 LEU HD11 . 6912 1 227 . 1 1 20 20 LEU HD21 H 1 0.56 0.02 . 2 . . . . 20 LEU HD21 . 6912 1 228 . 1 1 20 20 LEU HD22 H 1 0.56 0.02 . 2 . . . . 20 LEU HD21 . 6912 1 229 . 1 1 20 20 LEU HD23 H 1 0.56 0.02 . 2 . . . . 20 LEU HD21 . 6912 1 230 . 1 1 20 20 LEU C C 13 169.5 0.2 . 1 . . . . 20 LEU C . 6912 1 231 . 1 1 20 20 LEU CA C 13 53.5 0.2 . 1 . . . . 20 LEU CA . 6912 1 232 . 1 1 20 20 LEU CB C 13 39.0 0.2 . 1 . . . . 20 LEU CB . 6912 1 233 . 1 1 20 20 LEU CG C 13 25.0 0.2 . 1 . . . . 20 LEU CG . 6912 1 234 . 1 1 20 20 LEU CD1 C 13 21.7 0.2 . 1 . . . . 20 LEU CD1 . 6912 1 235 . 1 1 20 20 LEU CD2 C 13 23.7 0.2 . 1 . . . . 20 LEU CD2 . 6912 1 236 . 1 1 20 20 LEU N N 15 120.8 0.2 . 1 . . . . 20 LEU N . 6912 1 237 . 1 1 21 21 VAL H H 1 9.27 0.02 . 1 . . . . 21 VAL HN . 6912 1 238 . 1 1 21 21 VAL HA H 1 4.75 0.02 . 1 . . . . 21 VAL HA . 6912 1 239 . 1 1 21 21 VAL HB H 1 2.08 0.02 . 1 . . . . 21 VAL HB . 6912 1 240 . 1 1 21 21 VAL HG11 H 1 1.17 0.02 . 2 . . . . 21 VAL HG11 . 6912 1 241 . 1 1 21 21 VAL HG12 H 1 1.17 0.02 . 2 . . . . 21 VAL HG11 . 6912 1 242 . 1 1 21 21 VAL HG13 H 1 1.17 0.02 . 2 . . . . 21 VAL HG11 . 6912 1 243 . 1 1 21 21 VAL HG21 H 1 0.90 0.02 . 2 . . . . 21 VAL HG21 . 6912 1 244 . 1 1 21 21 VAL HG22 H 1 0.90 0.02 . 2 . . . . 21 VAL HG21 . 6912 1 245 . 1 1 21 21 VAL HG23 H 1 0.90 0.02 . 2 . . . . 21 VAL HG21 . 6912 1 246 . 1 1 21 21 VAL C C 13 170.8 0.2 . 1 . . . . 21 VAL C . 6912 1 247 . 1 1 21 21 VAL CA C 13 59.2 0.2 . 1 . . . . 21 VAL CA . 6912 1 248 . 1 1 21 21 VAL CB C 13 32.4 0.2 . 1 . . . . 21 VAL CB . 6912 1 249 . 1 1 21 21 VAL CG1 C 13 19.4 0.2 . 1 . . . . 21 VAL CG1 . 6912 1 250 . 1 1 21 21 VAL CG2 C 13 19.4 0.2 . 1 . . . . 21 VAL CG2 . 6912 1 251 . 1 1 21 21 VAL N N 15 128.7 0.2 . 1 . . . . 21 VAL N . 6912 1 252 . 1 1 22 22 VAL H H 1 9.07 0.02 . 1 . . . . 22 VAL HN . 6912 1 253 . 1 1 22 22 VAL HA H 1 4.50 0.02 . 1 . . . . 22 VAL HA . 6912 1 254 . 1 1 22 22 VAL HB H 1 1.35 0.02 . 1 . . . . 22 VAL HB . 6912 1 255 . 1 1 22 22 VAL HG11 H 1 0.75 0.02 . 2 . . . . 22 VAL HG11 . 6912 1 256 . 1 1 22 22 VAL HG12 H 1 0.75 0.02 . 2 . . . . 22 VAL HG11 . 6912 1 257 . 1 1 22 22 VAL HG13 H 1 0.75 0.02 . 2 . . . . 22 VAL HG11 . 6912 1 258 . 1 1 22 22 VAL HG21 H 1 0.21 0.02 . 2 . . . . 22 VAL HG21 . 6912 1 259 . 1 1 22 22 VAL HG22 H 1 0.21 0.02 . 2 . . . . 22 VAL HG21 . 6912 1 260 . 1 1 22 22 VAL HG23 H 1 0.21 0.02 . 2 . . . . 22 VAL HG21 . 6912 1 261 . 1 1 22 22 VAL C C 13 170.9 0.2 . 1 . . . . 22 VAL C . 6912 1 262 . 1 1 22 22 VAL CA C 13 59.1 0.2 . 1 . . . . 22 VAL CA . 6912 1 263 . 1 1 22 22 VAL CB C 13 31.3 0.2 . 1 . . . . 22 VAL CB . 6912 1 264 . 1 1 22 22 VAL CG1 C 13 18.2 0.2 . 1 . . . . 22 VAL CG1 . 6912 1 265 . 1 1 22 22 VAL CG2 C 13 17.8 0.2 . 1 . . . . 22 VAL CG2 . 6912 1 266 . 1 1 22 22 VAL N N 15 126.1 0.2 . 1 . . . . 22 VAL N . 6912 1 267 . 1 1 23 23 VAL H H 1 9.67 0.02 . 1 . . . . 23 VAL HN . 6912 1 268 . 1 1 23 23 VAL HA H 1 4.80 0.02 . 1 . . . . 23 VAL HA . 6912 1 269 . 1 1 23 23 VAL HB H 1 2.58 0.02 . 1 . . . . 23 VAL HB . 6912 1 270 . 1 1 23 23 VAL HG11 H 1 0.66 0.02 . 2 . . . . 23 VAL HG11 . 6912 1 271 . 1 1 23 23 VAL HG12 H 1 0.66 0.02 . 2 . . . . 23 VAL HG11 . 6912 1 272 . 1 1 23 23 VAL HG13 H 1 0.66 0.02 . 2 . . . . 23 VAL HG11 . 6912 1 273 . 1 1 23 23 VAL HG21 H 1 1.17 0.02 . 2 . . . . 23 VAL HG21 . 6912 1 274 . 1 1 23 23 VAL HG22 H 1 1.17 0.02 . 2 . . . . 23 VAL HG21 . 6912 1 275 . 1 1 23 23 VAL HG23 H 1 1.17 0.02 . 2 . . . . 23 VAL HG21 . 6912 1 276 . 1 1 23 23 VAL C C 13 171.3 0.2 . 1 . . . . 23 VAL C . 6912 1 277 . 1 1 23 23 VAL CA C 13 59.2 0.2 . 1 . . . . 23 VAL CA . 6912 1 278 . 1 1 23 23 VAL CB C 13 32.4 0.2 . 1 . . . . 23 VAL CB . 6912 1 279 . 1 1 23 23 VAL CG1 C 13 20.6 0.2 . 1 . . . . 23 VAL CG1 . 6912 1 280 . 1 1 23 23 VAL CG2 C 13 19.3 0.2 . 1 . . . . 23 VAL CG2 . 6912 1 281 . 1 1 23 23 VAL N N 15 125.4 0.2 . 1 . . . . 23 VAL N . 6912 1 282 . 1 1 24 24 ASP H H 1 8.93 0.02 . 1 . . . . 24 ASP HN . 6912 1 283 . 1 1 24 24 ASP HA H 1 5.22 0.02 . 1 . . . . 24 ASP HA . 6912 1 284 . 1 1 24 24 ASP HB2 H 1 3.04 0.02 . 2 . . . . 24 ASP HB1 . 6912 1 285 . 1 1 24 24 ASP HB3 H 1 2.50 0.02 . 2 . . . . 24 ASP HB2 . 6912 1 286 . 1 1 24 24 ASP C C 13 170.3 0.2 . 1 . . . . 24 ASP C . 6912 1 287 . 1 1 24 24 ASP CA C 13 51.0 0.2 . 1 . . . . 24 ASP CA . 6912 1 288 . 1 1 24 24 ASP CB C 13 37.9 0.2 . 1 . . . . 24 ASP CB . 6912 1 289 . 1 1 24 24 ASP N N 15 127.0 0.2 . 1 . . . . 24 ASP N . 6912 1 290 . 1 1 25 25 PHE H H 1 9.48 0.02 . 1 . . . . 25 PHE HN . 6912 1 291 . 1 1 25 25 PHE HA H 1 5.16 0.02 . 1 . . . . 25 PHE HA . 6912 1 292 . 1 1 25 25 PHE HB2 H 1 2.54 0.02 . 2 . . . . 25 PHE HB1 . 6912 1 293 . 1 1 25 25 PHE HB3 H 1 3.67 0.02 . 2 . . . . 25 PHE HB2 . 6912 1 294 . 1 1 25 25 PHE HD1 H 1 7.41 0.02 . 1 . . . . 25 PHE HD1 . 6912 1 295 . 1 1 25 25 PHE HD2 H 1 7.41 0.02 . 1 . . . . 25 PHE HD2 . 6912 1 296 . 1 1 25 25 PHE HE1 H 1 7.08 0.02 . 1 . . . . 25 PHE HE1 . 6912 1 297 . 1 1 25 25 PHE HE2 H 1 7.08 0.02 . 1 . . . . 25 PHE HE2 . 6912 1 298 . 1 1 25 25 PHE HZ H 1 7.01 0.02 . 1 . . . . 25 PHE HZ . 6912 1 299 . 1 1 25 25 PHE C C 13 171.2 0.2 . 1 . . . . 25 PHE C . 6912 1 300 . 1 1 25 25 PHE CA C 13 55.9 0.2 . 1 . . . . 25 PHE CA . 6912 1 301 . 1 1 25 25 PHE CB C 13 37.9 0.2 . 1 . . . . 25 PHE CB . 6912 1 302 . 1 1 25 25 PHE CD1 C 13 130.5 0.2 . 1 . . . . 25 PHE CD1 . 6912 1 303 . 1 1 25 25 PHE CD2 C 13 130.5 0.2 . 1 . . . . 25 PHE CD2 . 6912 1 304 . 1 1 25 25 PHE CE1 C 13 128.6 0.2 . 1 . . . . 25 PHE CE1 . 6912 1 305 . 1 1 25 25 PHE CE2 C 13 128.6 0.2 . 1 . . . . 25 PHE CE2 . 6912 1 306 . 1 1 25 25 PHE CZ C 13 126.0 0.2 . 1 . . . . 25 PHE CZ . 6912 1 307 . 1 1 25 25 PHE N N 15 128.0 0.2 . 1 . . . . 25 PHE N . 6912 1 308 . 1 1 26 26 TYR H H 1 8.97 0.02 . 1 . . . . 26 TYR HN . 6912 1 309 . 1 1 26 26 TYR HA H 1 5.36 0.02 . 1 . . . . 26 TYR HA . 6912 1 310 . 1 1 26 26 TYR HB2 H 1 3.02 0.02 . 2 . . . . 26 TYR HB1 . 6912 1 311 . 1 1 26 26 TYR HB3 H 1 2.89 0.02 . 2 . . . . 26 TYR HB2 . 6912 1 312 . 1 1 26 26 TYR HD1 H 1 6.83 0.02 . 1 . . . . 26 TYR HD1 . 6912 1 313 . 1 1 26 26 TYR HD2 H 1 6.83 0.02 . 1 . . . . 26 TYR HD2 . 6912 1 314 . 1 1 26 26 TYR HE1 H 1 6.44 0.02 . 1 . . . . 26 TYR HE1 . 6912 1 315 . 1 1 26 26 TYR HE2 H 1 6.44 0.02 . 1 . . . . 26 TYR HE2 . 6912 1 316 . 1 1 26 26 TYR C C 13 169.8 0.2 . 1 . . . . 26 TYR C . 6912 1 317 . 1 1 26 26 TYR CA C 13 52.8 0.2 . 1 . . . . 26 TYR CA . 6912 1 318 . 1 1 26 26 TYR CB C 13 41.2 0.2 . 1 . . . . 26 TYR CB . 6912 1 319 . 1 1 26 26 TYR CD1 C 13 131.2 0.2 . 1 . . . . 26 TYR CD1 . 6912 1 320 . 1 1 26 26 TYR CD2 C 13 131.2 0.2 . 1 . . . . 26 TYR CD2 . 6912 1 321 . 1 1 26 26 TYR CE1 C 13 115.2 0.2 . 1 . . . . 26 TYR CE1 . 6912 1 322 . 1 1 26 26 TYR CE2 C 13 115.1 0.2 . 1 . . . . 26 TYR CE2 . 6912 1 323 . 1 1 26 26 TYR N N 15 120.8 0.2 . 1 . . . . 26 TYR N . 6912 1 324 . 1 1 27 27 ALA H H 1 7.23 0.02 . 1 . . . . 27 ALA HN . 6912 1 325 . 1 1 27 27 ALA HA H 1 4.57 0.02 . 1 . . . . 27 ALA HA . 6912 1 326 . 1 1 27 27 ALA HB1 H 1 0.15 0.02 . 1 . . . . 27 ALA HB1 . 6912 1 327 . 1 1 27 27 ALA HB2 H 1 0.15 0.02 . 1 . . . . 27 ALA HB1 . 6912 1 328 . 1 1 27 27 ALA HB3 H 1 0.15 0.02 . 1 . . . . 27 ALA HB1 . 6912 1 329 . 1 1 27 27 ALA C C 13 167.37 0.2 . 1 . . . . 27 ALA C . 6912 1 330 . 1 1 27 27 ALA CA C 13 47.5 0.2 . 1 . . . . 27 ALA CA . 6912 1 331 . 1 1 27 27 ALA CB C 13 19.3 0.2 . 1 . . . . 27 ALA CB . 6912 1 332 . 1 1 27 27 ALA N N 15 118.8 0.2 . 1 . . . . 27 ALA N . 6912 1 333 . 1 1 28 28 THR H H 1 10.19 0.02 . 1 . . . . 28 THR HN . 6912 1 334 . 1 1 28 28 THR HA H 1 4.00 0.02 . 1 . . . . 28 THR HA . 6912 1 335 . 1 1 28 28 THR HB H 1 4.33 0.02 . 1 . . . . 28 THR HB . 6912 1 336 . 1 1 28 28 THR HG21 H 1 1.49 0.02 . 1 . . . . 28 THR HG21 . 6912 1 337 . 1 1 28 28 THR HG22 H 1 1.49 0.02 . 1 . . . . 28 THR HG21 . 6912 1 338 . 1 1 28 28 THR HG23 H 1 1.49 0.02 . 1 . . . . 28 THR HG21 . 6912 1 339 . 1 1 28 28 THR C C 13 175.7 0.2 . 1 . . . . 28 THR C . 6912 1 340 . 1 1 28 28 THR CA C 13 62.6 0.2 . 1 . . . . 28 THR CA . 6912 1 341 . 1 1 28 28 THR CB C 13 67.4 0.2 . 1 . . . . 28 THR CB . 6912 1 342 . 1 1 28 28 THR CG2 C 13 20.4 0.2 . 1 . . . . 28 THR CG2 . 6912 1 343 . 1 1 28 28 THR N N 15 116.7 0.2 . 1 . . . . 28 THR N . 6912 1 344 . 1 1 29 29 TRP H H 1 6.55 0.02 . 1 . . . . 29 TRP HN . 6912 1 345 . 1 1 29 29 TRP HA H 1 4.65 0.02 . 1 . . . . 29 TRP HA . 6912 1 346 . 1 1 29 29 TRP HB2 H 1 3.18 0.02 . 2 . . . . 29 TRP HB1 . 6912 1 347 . 1 1 29 29 TRP HB3 H 1 3.72 0.02 . 2 . . . . 29 TRP HB2 . 6912 1 348 . 1 1 29 29 TRP HD1 H 1 7.33 0.02 . 1 . . . . 29 TRP HD1 . 6912 1 349 . 1 1 29 29 TRP HE1 H 1 11.35 0.02 . 1 . . . . 29 TRP HE1 . 6912 1 350 . 1 1 29 29 TRP HE3 H 1 7.39 0.02 . 1 . . . . 29 TRP HE3 . 6912 1 351 . 1 1 29 29 TRP HZ2 H 1 7.46 0.02 . 1 . . . . 29 TRP HZ2 . 6912 1 352 . 1 1 29 29 TRP HZ3 H 1 7.39 0.02 . 1 . . . . 29 TRP HZ3 . 6912 1 353 . 1 1 29 29 TRP HH2 H 1 7.18 0.02 . 1 . . . . 29 TRP HH2 . 6912 1 354 . 1 1 29 29 TRP C C 13 171.3 0.2 . 1 . . . . 29 TRP C . 6912 1 355 . 1 1 29 29 TRP CA C 13 51.1 0.2 . 1 . . . . 29 TRP CA . 6912 1 356 . 1 1 29 29 TRP CB C 13 27.0 0.2 . 1 . . . . 29 TRP CB . 6912 1 357 . 1 1 29 29 TRP CD1 C 13 126.8 0.2 . 1 . . . . 29 TRP CD1 . 6912 1 358 . 1 1 29 29 TRP CE3 C 13 118.1 0.2 . 1 . . . . 29 TRP CE3 . 6912 1 359 . 1 1 29 29 TRP CZ2 C 13 112.9 0.2 . 1 . . . . 29 TRP CZ2 . 6912 1 360 . 1 1 29 29 TRP CZ3 C 13 119.0 0.2 . 1 . . . . 29 TRP CZ3 . 6912 1 361 . 1 1 29 29 TRP CH2 C 13 122.5 0.2 . 1 . . . . 29 TRP CH2 . 6912 1 362 . 1 1 29 29 TRP N N 15 114.3 0.2 . 1 . . . . 29 TRP N . 6912 1 363 . 1 1 29 29 TRP NE1 N 15 135.2 0.2 . 1 . . . . 29 TRP NE1 . 6912 1 364 . 1 1 30 30 CYS H H 1 6.58 0.02 . 1 . . . . 30 CYS HN . 6912 1 365 . 1 1 30 30 CYS HA H 1 4.54 0.02 . 1 . . . . 30 CYS HA . 6912 1 366 . 1 1 30 30 CYS HB2 H 1 1.76 0.02 . 2 . . . . 30 CYS HB1 . 6912 1 367 . 1 1 30 30 CYS HB3 H 1 2.53 0.02 . 2 . . . . 30 CYS HB2 . 6912 1 368 . 1 1 30 30 CYS C C 13 171.90 0.2 . 1 . . . . 30 CYS C . 6912 1 369 . 1 1 30 30 CYS CA C 13 56.63 0.2 . 1 . . . . 30 CYS CA . 6912 1 370 . 1 1 30 30 CYS CB C 13 25.86 0.2 . 1 . . . . 30 CYS CB . 6912 1 371 . 1 1 30 30 CYS N N 15 123.15 0.2 . 1 . . . . 30 CYS N . 6912 1 372 . 1 1 31 31 GLY HA2 H 1 4.24 0.02 . 2 . . . . 31 GLY HA1 . 6912 1 373 . 1 1 31 31 GLY HA3 H 1 3.95 0.02 . 2 . . . . 31 GLY HA2 . 6912 1 374 . 1 1 31 31 GLY CA C 13 46.68 0.2 . 1 . . . . 31 GLY CA . 6912 1 375 . 1 1 32 32 PRO CA C 13 63.62 0.2 . 1 . . . . 32 PRO CA . 6912 1 376 . 1 1 32 32 PRO CB C 13 32.45 0.2 . 1 . . . . 32 PRO CB . 6912 1 377 . 1 1 33 33 CYS H H 1 8.08 0.02 . 1 . . . . 33 CYS HN . 6912 1 378 . 1 1 33 33 CYS HA H 1 4.06 0.02 . 1 . . . . 33 CYS HA . 6912 1 379 . 1 1 33 33 CYS HB2 H 1 3.13 0.02 . 2 . . . . 33 CYS HB1 . 6912 1 380 . 1 1 33 33 CYS HB3 H 1 3.42 0.02 . 2 . . . . 33 CYS HB2 . 6912 1 381 . 1 1 33 33 CYS C C 13 171.67 0.2 . 1 . . . . 33 CYS C . 6912 1 382 . 1 1 33 33 CYS CA C 13 61.83 0.2 . 1 . . . . 33 CYS CA . 6912 1 383 . 1 1 33 33 CYS CB C 13 25.86 0.2 . 1 . . . . 33 CYS CB . 6912 1 384 . 1 1 33 33 CYS N N 15 115.7 0.2 . 1 . . . . 33 CYS N . 6912 1 385 . 1 1 34 34 LYS H H 1 7.91 0.02 . 1 . . . . 34 LYS HN . 6912 1 386 . 1 1 34 34 LYS HA H 1 4.88 0.02 . 1 . . . . 34 LYS HA . 6912 1 387 . 1 1 34 34 LYS CA C 13 56.75 0.2 . 1 . . . . 34 LYS CA . 6912 1 388 . 1 1 34 34 LYS CB C 13 29.67 0.2 . 1 . . . . 34 LYS CB . 6912 1 389 . 1 1 34 34 LYS N N 15 119.98 0.2 . 1 . . . . 34 LYS N . 6912 1 390 . 1 1 35 35 MET H H 1 7.69 0.02 . 1 . . . . 35 MET HN . 6912 1 391 . 1 1 35 35 MET HA H 1 4.23 0.02 . 1 . . . . 35 MET HA . 6912 1 392 . 1 1 35 35 MET HB2 H 1 2.22 0.02 . 1 . . . . 35 MET HB1 . 6912 1 393 . 1 1 35 35 MET HB3 H 1 2.22 0.02 . 1 . . . . 35 MET HB2 . 6912 1 394 . 1 1 35 35 MET HG2 H 1 2.55 0.02 . 2 . . . . 35 MET HG1 . 6912 1 395 . 1 1 35 35 MET HG3 H 1 2.71 0.02 . 2 . . . . 35 MET HG2 . 6912 1 396 . 1 1 35 35 MET C C 13 175.2 0.2 . 1 . . . . 35 MET C . 6912 1 397 . 1 1 35 35 MET CA C 13 55.3 0.2 . 1 . . . . 35 MET CA . 6912 1 398 . 1 1 35 35 MET CB C 13 30.0 0.2 . 1 . . . . 35 MET CB . 6912 1 399 . 1 1 35 35 MET CG C 13 29.7 0.2 . 1 . . . . 35 MET CG . 6912 1 400 . 1 1 35 35 MET N N 15 116.3 0.2 . 1 . . . . 35 MET N . 6912 1 401 . 1 1 36 36 ILE H H 1 7.50 0.02 . 1 . . . . 36 ILE HN . 6912 1 402 . 1 1 36 36 ILE HA H 1 4.39 0.02 . 1 . . . . 36 ILE HA . 6912 1 403 . 1 1 36 36 ILE HB H 1 1.95 0.02 . 1 . . . . 36 ILE HB . 6912 1 404 . 1 1 36 36 ILE HG12 H 1 1.45 0.02 . 1 . . . . 36 ILE HG11 . 6912 1 405 . 1 1 36 36 ILE HG13 H 1 1.46 0.02 . 1 . . . . 36 ILE HG12 . 6912 1 406 . 1 1 36 36 ILE HG21 H 1 0.10 0.02 . 1 . . . . 36 ILE HG21 . 6912 1 407 . 1 1 36 36 ILE HG22 H 1 0.10 0.02 . 1 . . . . 36 ILE HG21 . 6912 1 408 . 1 1 36 36 ILE HG23 H 1 0.10 0.02 . 1 . . . . 36 ILE HG21 . 6912 1 409 . 1 1 36 36 ILE HD11 H 1 0.82 0.02 . 1 . . . . 36 ILE HD11 . 6912 1 410 . 1 1 36 36 ILE HD12 H 1 0.82 0.02 . 1 . . . . 36 ILE HD11 . 6912 1 411 . 1 1 36 36 ILE HD13 H 1 0.82 0.02 . 1 . . . . 36 ILE HD11 . 6912 1 412 . 1 1 36 36 ILE C C 13 174.3 0.2 . 1 . . . . 36 ILE C . 6912 1 413 . 1 1 36 36 ILE CA C 13 58.0 0.2 . 1 . . . . 36 ILE CA . 6912 1 414 . 1 1 36 36 ILE CB C 13 36.8 0.2 . 1 . . . . 36 ILE CB . 6912 1 415 . 1 1 36 36 ILE CG1 C 13 26.1 0.2 . 1 . . . . 36 ILE CG1 . 6912 1 416 . 1 1 36 36 ILE CG2 C 13 16.1 0.2 . 1 . . . . 36 ILE CG2 . 6912 1 417 . 1 1 36 36 ILE CD1 C 13 11.3 0.2 . 1 . . . . 36 ILE CD1 . 6912 1 418 . 1 1 36 36 ILE N N 15 113.7 0.2 . 1 . . . . 36 ILE N . 6912 1 419 . 1 1 37 37 ALA H H 1 7.48 0.02 . 1 . . . . 37 ALA HN . 6912 1 420 . 1 1 37 37 ALA HA H 1 4.09 0.02 . 1 . . . . 37 ALA HA . 6912 1 421 . 1 1 37 37 ALA HB1 H 1 1.42 0.02 . 1 . . . . 37 ALA HB1 . 6912 1 422 . 1 1 37 37 ALA HB2 H 1 1.42 0.02 . 1 . . . . 37 ALA HB1 . 6912 1 423 . 1 1 37 37 ALA HB3 H 1 1.42 0.02 . 1 . . . . 37 ALA HB1 . 6912 1 424 . 1 1 37 37 ALA C C 13 173.4 0.2 . 1 . . . . 37 ALA C . 6912 1 425 . 1 1 37 37 ALA CA C 13 55.1 0.2 . 1 . . . . 37 ALA CA . 6912 1 426 . 1 1 37 37 ALA CB C 13 13.8 0.2 . 1 . . . . 37 ALA CB . 6912 1 427 . 1 1 37 37 ALA N N 15 125.5 0.2 . 1 . . . . 37 ALA N . 6912 1 428 . 1 1 38 38 PRO HA H 1 4.33 0.02 . 1 . . . . 38 PRO HA . 6912 1 429 . 1 1 38 38 PRO HB2 H 1 2.28 0.02 . 2 . . . . 38 PRO HB1 . 6912 1 430 . 1 1 38 38 PRO HB3 H 1 1.77 0.02 . 2 . . . . 38 PRO HB2 . 6912 1 431 . 1 1 38 38 PRO HG2 H 1 1.99 0.02 . 1 . . . . 38 PRO HG1 . 6912 1 432 . 1 1 38 38 PRO HG3 H 1 1.99 0.02 . 1 . . . . 38 PRO HG2 . 6912 1 433 . 1 1 38 38 PRO HD2 H 1 3.70 0.02 . 2 . . . . 38 PRO HD1 . 6912 1 434 . 1 1 38 38 PRO HD3 H 1 3.64 0.02 . 2 . . . . 38 PRO HD2 . 6912 1 435 . 1 1 38 38 PRO CA C 13 63.1 0.2 . 1 . . . . 38 PRO CA . 6912 1 436 . 1 1 38 38 PRO CB C 13 28.5 0.2 . 1 . . . . 38 PRO CB . 6912 1 437 . 1 1 38 38 PRO CG C 13 25.9 0.2 . 1 . . . . 38 PRO CG . 6912 1 438 . 1 1 38 38 PRO CD C 13 48.4 0.2 . 1 . . . . 38 PRO CD . 6912 1 439 . 1 1 39 39 MET H H 1 7.18 0.02 . 1 . . . . 39 MET HN . 6912 1 440 . 1 1 39 39 MET HA H 1 3.94 0.02 . 1 . . . . 39 MET HA . 6912 1 441 . 1 1 39 39 MET HB2 H 1 2.26 0.02 . 2 . . . . 39 MET HB1 . 6912 1 442 . 1 1 39 39 MET HB3 H 1 1.78 0.02 . 2 . . . . 39 MET HB2 . 6912 1 443 . 1 1 39 39 MET HG2 H 1 2.46 0.02 . 2 . . . . 39 MET HG1 . 6912 1 444 . 1 1 39 39 MET HG3 H 1 2.41 0.02 . 2 . . . . 39 MET HG2 . 6912 1 445 . 1 1 39 39 MET C C 13 175.9 0.2 . 1 . . . . 39 MET C . 6912 1 446 . 1 1 39 39 MET CA C 13 55.5 0.2 . 1 . . . . 39 MET CA . 6912 1 447 . 1 1 39 39 MET CB C 13 28.7 0.2 . 1 . . . . 39 MET CB . 6912 1 448 . 1 1 39 39 MET CG C 13 29.4 0.2 . 1 . . . . 39 MET CG . 6912 1 449 . 1 1 39 39 MET N N 15 117.1 0.2 . 1 . . . . 39 MET N . 6912 1 450 . 1 1 40 40 ILE H H 1 7.83 0.02 . 1 . . . . 40 ILE HN . 6912 1 451 . 1 1 40 40 ILE HA H 1 3.67 0.02 . 1 . . . . 40 ILE HA . 6912 1 452 . 1 1 40 40 ILE HB H 1 2.20 0.02 . 1 . . . . 40 ILE HB . 6912 1 453 . 1 1 40 40 ILE HG12 H 1 1.58 0.02 . 1 . . . . 40 ILE HG11 . 6912 1 454 . 1 1 40 40 ILE HG13 H 1 1.58 0.02 . 1 . . . . 40 ILE HG12 . 6912 1 455 . 1 1 40 40 ILE HG21 H 1 1.08 0.02 . 1 . . . . 40 ILE HG21 . 6912 1 456 . 1 1 40 40 ILE HG22 H 1 1.08 0.02 . 1 . . . . 40 ILE HG21 . 6912 1 457 . 1 1 40 40 ILE HG23 H 1 1.08 0.02 . 1 . . . . 40 ILE HG21 . 6912 1 458 . 1 1 40 40 ILE HD11 H 1 0.89 0.02 . 1 . . . . 40 ILE HD11 . 6912 1 459 . 1 1 40 40 ILE HD12 H 1 0.89 0.02 . 1 . . . . 40 ILE HD11 . 6912 1 460 . 1 1 40 40 ILE HD13 H 1 0.89 0.02 . 1 . . . . 40 ILE HD11 . 6912 1 461 . 1 1 40 40 ILE CA C 13 61.1 0.2 . 1 . . . . 40 ILE CA . 6912 1 462 . 1 1 40 40 ILE CB C 13 33.5 0.2 . 1 . . . . 40 ILE CB . 6912 1 463 . 1 1 40 40 ILE CG1 C 13 24.8 0.2 . 1 . . . . 40 ILE CG1 . 6912 1 464 . 1 1 40 40 ILE CG2 C 13 20.4 0.2 . 1 . . . . 40 ILE CG2 . 6912 1 465 . 1 1 40 40 ILE CD1 C 13 18.6 0.2 . 1 . . . . 40 ILE CD1 . 6912 1 466 . 1 1 40 40 ILE N N 15 118.1 0.2 . 1 . . . . 40 ILE N . 6912 1 467 . 1 1 41 41 GLU H H 1 7.46 0.02 . 1 . . . . 41 GLU HN . 6912 1 468 . 1 1 41 41 GLU HA H 1 3.64 0.02 . 1 . . . . 41 GLU HA . 6912 1 469 . 1 1 41 41 GLU HB2 H 1 1.98 0.02 . 1 . . . . 41 GLU HB1 . 6912 1 470 . 1 1 41 41 GLU HB3 H 1 1.98 0.02 . 1 . . . . 41 GLU HB2 . 6912 1 471 . 1 1 41 41 GLU HG2 H 1 2.16 0.02 . 2 . . . . 41 GLU HG1 . 6912 1 472 . 1 1 41 41 GLU HG3 H 1 2.10 0.02 . 2 . . . . 41 GLU HG2 . 6912 1 473 . 1 1 41 41 GLU C C 13 174.1 0.2 . 1 . . . . 41 GLU C . 6912 1 474 . 1 1 41 41 GLU CA C 13 57.2 0.2 . 1 . . . . 41 GLU CA . 6912 1 475 . 1 1 41 41 GLU CB C 13 27.0 0.2 . 1 . . . . 41 GLU CB . 6912 1 476 . 1 1 41 41 GLU CG C 13 33.5 0.2 . 1 . . . . 41 GLU CG . 6912 1 477 . 1 1 41 41 GLU N N 15 118.1 0.2 . 1 . . . . 41 GLU N . 6912 1 478 . 1 1 42 42 LYS H H 1 7.45 0.02 . 1 . . . . 42 LYS HN . 6912 1 479 . 1 1 42 42 LYS HA H 1 4.00 0.02 . 1 . . . . 42 LYS HA . 6912 1 480 . 1 1 42 42 LYS HB2 H 1 1.75 0.02 . 1 . . . . 42 LYS HB1 . 6912 1 481 . 1 1 42 42 LYS HB3 H 1 1.75 0.02 . 1 . . . . 42 LYS HB2 . 6912 1 482 . 1 1 42 42 LYS HG2 H 1 1.41 0.02 . 1 . . . . 42 LYS HG1 . 6912 1 483 . 1 1 42 42 LYS HG3 H 1 1.41 0.02 . 1 . . . . 42 LYS HG2 . 6912 1 484 . 1 1 42 42 LYS HD2 H 1 1.61 0.02 . 1 . . . . 42 LYS HD1 . 6912 1 485 . 1 1 42 42 LYS HD3 H 1 1.61 0.02 . 1 . . . . 42 LYS HD2 . 6912 1 486 . 1 1 42 42 LYS HE2 H 1 2.87 0.02 . 1 . . . . 42 LYS HE1 . 6912 1 487 . 1 1 42 42 LYS HE3 H 1 2.87 0.02 . 1 . . . . 42 LYS HE2 . 6912 1 488 . 1 1 42 42 LYS C C 13 176.4 0.2 . 1 . . . . 42 LYS C . 6912 1 489 . 1 1 42 42 LYS CA C 13 56.9 0.2 . 1 . . . . 42 LYS CA . 6912 1 490 . 1 1 42 42 LYS CB C 13 28.0 0.2 . 1 . . . . 42 LYS CB . 6912 1 491 . 1 1 42 42 LYS CG C 13 21.5 0.2 . 1 . . . . 42 LYS CG . 6912 1 492 . 1 1 42 42 LYS CD C 13 25.9 0.2 . 1 . . . . 42 LYS CD . 6912 1 493 . 1 1 42 42 LYS CE C 13 40.1 0.2 . 1 . . . . 42 LYS CE . 6912 1 494 . 1 1 42 42 LYS N N 15 120.8 0.2 . 1 . . . . 42 LYS N . 6912 1 495 . 1 1 43 43 PHE H H 1 8.50 0.02 . 1 . . . . 43 PHE HN . 6912 1 496 . 1 1 43 43 PHE HA H 1 4.69 0.02 . 1 . . . . 43 PHE HA . 6912 1 497 . 1 1 43 43 PHE HB2 H 1 3.26 0.02 . 2 . . . . 43 PHE HB1 . 6912 1 498 . 1 1 43 43 PHE HB3 H 1 3.14 0.02 . 2 . . . . 43 PHE HB2 . 6912 1 499 . 1 1 43 43 PHE HD1 H 1 7.20 0.02 . 1 . . . . 43 PHE HD1 . 6912 1 500 . 1 1 43 43 PHE HD2 H 1 7.20 0.02 . 1 . . . . 43 PHE HD2 . 6912 1 501 . 1 1 43 43 PHE HE1 H 1 7.29 0.02 . 1 . . . . 43 PHE HE1 . 6912 1 502 . 1 1 43 43 PHE HE2 H 1 7.29 0.02 . 1 . . . . 43 PHE HE2 . 6912 1 503 . 1 1 43 43 PHE C C 13 176.2 0.2 . 1 . . . . 43 PHE C . 6912 1 504 . 1 1 43 43 PHE CA C 13 56.7 0.2 . 1 . . . . 43 PHE CA . 6912 1 505 . 1 1 43 43 PHE CB C 13 34.6 0.2 . 1 . . . . 43 PHE CB . 6912 1 506 . 1 1 43 43 PHE CD1 C 13 128.3 0.2 . 1 . . . . 43 PHE CD1 . 6912 1 507 . 1 1 43 43 PHE CD2 C 13 128.3 0.2 . 1 . . . . 43 PHE CD2 . 6912 1 508 . 1 1 43 43 PHE CE1 C 13 127.6 0.2 . 1 . . . . 43 PHE CE1 . 6912 1 509 . 1 1 43 43 PHE CE2 C 13 127.6 0.2 . 1 . . . . 43 PHE CE2 . 6912 1 510 . 1 1 43 43 PHE N N 15 119.3 0.2 . 1 . . . . 43 PHE N . 6912 1 511 . 1 1 44 44 SER H H 1 7.86 0.02 . 1 . . . . 44 SER HN . 6912 1 512 . 1 1 44 44 SER HA H 1 3.09 0.02 . 1 . . . . 44 SER HA . 6912 1 513 . 1 1 44 44 SER HB2 H 1 3.30 0.02 . 2 . . . . 44 SER HB1 . 6912 1 514 . 1 1 44 44 SER HB3 H 1 2.87 0.02 . 2 . . . . 44 SER HB2 . 6912 1 515 . 1 1 44 44 SER C C 13 174.1 0.2 . 1 . . . . 44 SER C . 6912 1 516 . 1 1 44 44 SER CA C 13 58.5 0.2 . 1 . . . . 44 SER CA . 6912 1 517 . 1 1 44 44 SER CB C 13 59.8 0.2 . 1 . . . . 44 SER CB . 6912 1 518 . 1 1 44 44 SER N N 15 116.1 0.2 . 1 . . . . 44 SER N . 6912 1 519 . 1 1 45 45 GLU H H 1 6.98 0.02 . 1 . . . . 45 GLU HN . 6912 1 520 . 1 1 45 45 GLU HA H 1 4.15 0.02 . 1 . . . . 45 GLU HA . 6912 1 521 . 1 1 45 45 GLU HB2 H 1 2.12 0.02 . 1 . . . . 45 GLU HB1 . 6912 1 522 . 1 1 45 45 GLU HB3 H 1 2.12 0.02 . 1 . . . . 45 GLU HB2 . 6912 1 523 . 1 1 45 45 GLU HG2 H 1 2.36 0.02 . 2 . . . . 45 GLU HG1 . 6912 1 524 . 1 1 45 45 GLU HG3 H 1 2.18 0.02 . 2 . . . . 45 GLU HG2 . 6912 1 525 . 1 1 45 45 GLU C C 13 171.8 0.2 . 1 . . . . 45 GLU C . 6912 1 526 . 1 1 45 45 GLU CA C 13 55.1 0.2 . 1 . . . . 45 GLU CA . 6912 1 527 . 1 1 45 45 GLU CB C 13 27.0 0.2 . 1 . . . . 45 GLU CB . 6912 1 528 . 1 1 45 45 GLU CG C 13 33.4 0.2 . 1 . . . . 45 GLU CG . 6912 1 529 . 1 1 45 45 GLU N N 15 120.4 0.2 . 1 . . . . 45 GLU N . 6912 1 530 . 1 1 46 46 GLN H H 1 7.58 0.02 . 1 . . . . 46 GLN HN . 6912 1 531 . 1 1 46 46 GLN HA H 1 3.99 0.02 . 1 . . . . 46 GLN HA . 6912 1 532 . 1 1 46 46 GLN HB2 H 1 2.10 0.02 . 1 . . . . 46 GLN HB1 . 6912 1 533 . 1 1 46 46 GLN HB3 H 1 2.10 0.02 . 1 . . . . 46 GLN HB2 . 6912 1 534 . 1 1 46 46 GLN HG2 H 1 2.40 0.02 . 1 . . . . 46 GLN HG1 . 6912 1 535 . 1 1 46 46 GLN HG3 H 1 2.40 0.02 . 1 . . . . 46 GLN HG2 . 6912 1 536 . 1 1 46 46 GLN HE21 H 1 7.25 0.02 . 2 . . . . 46 GLN HE21 . 6912 1 537 . 1 1 46 46 GLN HE22 H 1 6.61 0.02 . 2 . . . . 46 GLN HE22 . 6912 1 538 . 1 1 46 46 GLN C C 13 174.1 0.2 . 1 . . . . 46 GLN C . 6912 1 539 . 1 1 46 46 GLN CA C 13 55.0 0.2 . 1 . . . . 46 GLN CA . 6912 1 540 . 1 1 46 46 GLN CB C 13 27.0 0.2 . 1 . . . . 46 GLN CB . 6912 1 541 . 1 1 46 46 GLN CG C 13 31.3 0.2 . 1 . . . . 46 GLN CG . 6912 1 542 . 1 1 46 46 GLN N N 15 118.4 0.2 . 1 . . . . 46 GLN N . 6912 1 543 . 1 1 46 46 GLN NE2 N 15 109.1 0.2 . 1 . . . . 46 GLN NE2 . 6912 1 544 . 1 1 47 47 TYR H H 1 7.55 0.02 . 1 . . . . 47 TYR HN . 6912 1 545 . 1 1 47 47 TYR HA H 1 5.06 0.02 . 1 . . . . 47 TYR HA . 6912 1 546 . 1 1 47 47 TYR HB2 H 1 2.93 0.02 . 2 . . . . 47 TYR HB1 . 6912 1 547 . 1 1 47 47 TYR HB3 H 1 3.02 0.02 . 2 . . . . 47 TYR HB2 . 6912 1 548 . 1 1 47 47 TYR HD1 H 1 7.26 0.02 . 1 . . . . 47 TYR HD1 . 6912 1 549 . 1 1 47 47 TYR HD2 H 1 7.26 0.02 . 1 . . . . 47 TYR HD2 . 6912 1 550 . 1 1 47 47 TYR HE1 H 1 6.64 0.02 . 1 . . . . 47 TYR HE1 . 6912 1 551 . 1 1 47 47 TYR HE2 H 1 6.64 0.02 . 1 . . . . 47 TYR HE2 . 6912 1 552 . 1 1 47 47 TYR C C 13 171.7 0.2 . 1 . . . . 47 TYR C . 6912 1 553 . 1 1 47 47 TYR CA C 13 53.9 0.2 . 1 . . . . 47 TYR CA . 6912 1 554 . 1 1 47 47 TYR CB C 13 35.7 0.2 . 1 . . . . 47 TYR CB . 6912 1 555 . 1 1 47 47 TYR CD1 C 13 131.5 0.2 . 1 . . . . 47 TYR CD1 . 6912 1 556 . 1 1 47 47 TYR CD2 C 13 131.5 0.2 . 1 . . . . 47 TYR CD2 . 6912 1 557 . 1 1 47 47 TYR CE1 C 13 114.9 0.2 . 1 . . . . 47 TYR CE1 . 6912 1 558 . 1 1 47 47 TYR CE2 C 13 114.9 0.2 . 1 . . . . 47 TYR CE2 . 6912 1 559 . 1 1 47 47 TYR N N 15 115.7 0.2 . 1 . . . . 47 TYR N . 6912 1 560 . 1 1 48 48 PRO HA H 1 4.81 0.02 . 1 . . . . 48 PRO HA . 6912 1 561 . 1 1 48 48 PRO HB2 H 1 2.34 0.02 . 2 . . . . 48 PRO HB1 . 6912 1 562 . 1 1 48 48 PRO HB3 H 1 2.12 0.02 . 2 . . . . 48 PRO HB2 . 6912 1 563 . 1 1 48 48 PRO HG2 H 1 2.03 0.02 . 2 . . . . 48 PRO HG1 . 6912 1 564 . 1 1 48 48 PRO HG3 H 1 1.96 0.02 . 2 . . . . 48 PRO HG2 . 6912 1 565 . 1 1 48 48 PRO HD2 H 1 3.29 0.02 . 2 . . . . 48 PRO HD1 . 6912 1 566 . 1 1 48 48 PRO HD3 H 1 3.73 0.02 . 2 . . . . 48 PRO HD2 . 6912 1 567 . 1 1 48 48 PRO CA C 13 62.01 0.2 . 1 . . . . 48 PRO CA . 6912 1 568 . 1 1 48 48 PRO CB C 13 29.57 0.2 . 1 . . . . 48 PRO CB . 6912 1 569 . 1 1 48 48 PRO CG C 13 24.77 0.2 . 1 . . . . 48 PRO CG . 6912 1 570 . 1 1 48 48 PRO CD C 13 48.37 0.2 . 1 . . . . 48 PRO CD . 6912 1 571 . 1 1 49 49 GLN H H 1 9.72 0.02 . 1 . . . . 49 GLN HN . 6912 1 572 . 1 1 49 49 GLN HA H 1 4.46 0.02 . 1 . . . . 49 GLN HA . 6912 1 573 . 1 1 49 49 GLN HB2 H 1 2.19 0.02 . 2 . . . . 49 GLN HB1 . 6912 1 574 . 1 1 49 49 GLN HB3 H 1 2.32 0.02 . 2 . . . . 49 GLN HB2 . 6912 1 575 . 1 1 49 49 GLN HG2 H 1 2.71 0.02 . 1 . . . . 49 GLN HG1 . 6912 1 576 . 1 1 49 49 GLN HG3 H 1 2.71 0.02 . 1 . . . . 49 GLN HG2 . 6912 1 577 . 1 1 49 49 GLN HE21 H 1 7.81 0.02 . 2 . . . . 49 GLN HE21 . 6912 1 578 . 1 1 49 49 GLN HE22 H 1 7.61 0.02 . 2 . . . . 49 GLN HE22 . 6912 1 579 . 1 1 49 49 GLN C C 13 173.7 0.2 . 1 . . . . 49 GLN C . 6912 1 580 . 1 1 49 49 GLN CA C 13 54.2 0.2 . 1 . . . . 49 GLN CA . 6912 1 581 . 1 1 49 49 GLN CB C 13 25.9 0.2 . 1 . . . . 49 GLN CB . 6912 1 582 . 1 1 49 49 GLN CG C 13 31.3 0.2 . 1 . . . . 49 GLN CG . 6912 1 583 . 1 1 49 49 GLN N N 15 118.9 0.2 . 1 . . . . 49 GLN N . 6912 1 584 . 1 1 49 49 GLN NE2 N 15 111.4 0.2 . 1 . . . . 49 GLN NE2 . 6912 1 585 . 1 1 50 50 ALA H H 1 8.28 0.02 . 1 . . . . 50 ALA HN . 6912 1 586 . 1 1 50 50 ALA HA H 1 5.13 0.02 . 1 . . . . 50 ALA HA . 6912 1 587 . 1 1 50 50 ALA HB1 H 1 1.28 0.02 . 1 . . . . 50 ALA HB1 . 6912 1 588 . 1 1 50 50 ALA HB2 H 1 1.28 0.02 . 1 . . . . 50 ALA HB1 . 6912 1 589 . 1 1 50 50 ALA HB3 H 1 1.28 0.02 . 1 . . . . 50 ALA HB1 . 6912 1 590 . 1 1 50 50 ALA C C 13 171.2 0.2 . 1 . . . . 50 ALA C . 6912 1 591 . 1 1 50 50 ALA CA C 13 47.8 0.2 . 1 . . . . 50 ALA CA . 6912 1 592 . 1 1 50 50 ALA CB C 13 19.3 0.2 . 1 . . . . 50 ALA CB . 6912 1 593 . 1 1 50 50 ALA N N 15 127.0 0.2 . 1 . . . . 50 ALA N . 6912 1 594 . 1 1 51 51 ASP H H 1 8.57 0.02 . 1 . . . . 51 ASP HN . 6912 1 595 . 1 1 51 51 ASP HA H 1 5.19 0.02 . 1 . . . . 51 ASP HA . 6912 1 596 . 1 1 51 51 ASP HB2 H 1 2.73 0.02 . 2 . . . . 51 ASP HB1 . 6912 1 597 . 1 1 51 51 ASP HB3 H 1 2.60 0.02 . 2 . . . . 51 ASP HB2 . 6912 1 598 . 1 1 51 51 ASP C C 13 171.4 0.2 . 1 . . . . 51 ASP C . 6912 1 599 . 1 1 51 51 ASP CA C 13 50.9 0.2 . 1 . . . . 51 ASP CA . 6912 1 600 . 1 1 51 51 ASP CB C 13 42.3 0.2 . 1 . . . . 51 ASP CB . 6912 1 601 . 1 1 51 51 ASP N N 15 119.9 0.2 . 1 . . . . 51 ASP N . 6912 1 602 . 1 1 52 52 PHE H H 1 9.05 0.02 . 1 . . . . 52 PHE HN . 6912 1 603 . 1 1 52 52 PHE HA H 1 5.25 0.02 . 1 . . . . 52 PHE HA . 6912 1 604 . 1 1 52 52 PHE HB2 H 1 2.64 0.02 . 2 . . . . 52 PHE HB1 . 6912 1 605 . 1 1 52 52 PHE HB3 H 1 3.35 0.02 . 2 . . . . 52 PHE HB2 . 6912 1 606 . 1 1 52 52 PHE HD1 H 1 7.29 0.02 . 1 . . . . 52 PHE HD1 . 6912 1 607 . 1 1 52 52 PHE HD2 H 1 7.29 0.02 . 1 . . . . 52 PHE HD2 . 6912 1 608 . 1 1 52 52 PHE HE1 H 1 7.44 0.02 . 1 . . . . 52 PHE HE1 . 6912 1 609 . 1 1 52 52 PHE HE2 H 1 7.44 0.02 . 1 . . . . 52 PHE HE2 . 6912 1 610 . 1 1 52 52 PHE HZ H 1 6.99 0.02 . 1 . . . . 52 PHE HZ . 6912 1 611 . 1 1 52 52 PHE C C 13 171.0 0.2 . 1 . . . . 52 PHE C . 6912 1 612 . 1 1 52 52 PHE CA C 13 54.6 0.2 . 1 . . . . 52 PHE CA . 6912 1 613 . 1 1 52 52 PHE CB C 13 39.0 0.2 . 1 . . . . 52 PHE CB . 6912 1 614 . 1 1 52 52 PHE CD1 C 13 130.3 0.2 . 1 . . . . 52 PHE CD1 . 6912 1 615 . 1 1 52 52 PHE CD2 C 13 130.3 0.2 . 1 . . . . 52 PHE CD2 . 6912 1 616 . 1 1 52 52 PHE CE1 C 13 129.5 0.2 . 1 . . . . 52 PHE CE1 . 6912 1 617 . 1 1 52 52 PHE CE2 C 13 129.5 0.2 . 1 . . . . 52 PHE CE2 . 6912 1 618 . 1 1 52 52 PHE CZ C 13 126.0 0.2 . 1 . . . . 52 PHE CZ . 6912 1 619 . 1 1 52 52 PHE N N 15 120.4 0.2 . 1 . . . . 52 PHE N . 6912 1 620 . 1 1 53 53 TYR H H 1 9.51 0.02 . 1 . . . . 53 TYR HN . 6912 1 621 . 1 1 53 53 TYR HA H 1 5.61 0.02 . 1 . . . . 53 TYR HA . 6912 1 622 . 1 1 53 53 TYR HB2 H 1 2.18 0.02 . 2 . . . . 53 TYR HB1 . 6912 1 623 . 1 1 53 53 TYR HB3 H 1 2.26 0.02 . 2 . . . . 53 TYR HB2 . 6912 1 624 . 1 1 53 53 TYR HD1 H 1 6.34 0.02 . 1 . . . . 53 TYR HD1 . 6912 1 625 . 1 1 53 53 TYR HD2 H 1 6.34 0.02 . 1 . . . . 53 TYR HD2 . 6912 1 626 . 1 1 53 53 TYR HE1 H 1 6.55 0.02 . 1 . . . . 53 TYR HE1 . 6912 1 627 . 1 1 53 53 TYR HE2 H 1 6.55 0.02 . 1 . . . . 53 TYR HE2 . 6912 1 628 . 1 1 53 53 TYR C C 13 172.0 0.2 . 1 . . . . 53 TYR C . 6912 1 629 . 1 1 53 53 TYR CA C 13 53.5 0.2 . 1 . . . . 53 TYR CA . 6912 1 630 . 1 1 53 53 TYR CB C 13 44.5 0.2 . 1 . . . . 53 TYR CB . 6912 1 631 . 1 1 53 53 TYR CD1 C 13 131.5 0.2 . 1 . . . . 53 TYR CD1 . 6912 1 632 . 1 1 53 53 TYR CD2 C 13 131.5 0.2 . 1 . . . . 53 TYR CD2 . 6912 1 633 . 1 1 53 53 TYR CE1 C 13 115.5 0.2 . 1 . . . . 53 TYR CE1 . 6912 1 634 . 1 1 53 53 TYR CE2 C 13 115.5 0.2 . 1 . . . . 53 TYR CE2 . 6912 1 635 . 1 1 53 53 TYR N N 15 121.0 0.2 . 1 . . . . 53 TYR N . 6912 1 636 . 1 1 54 54 LYS H H 1 8.62 0.02 . 1 . . . . 54 LYS HN . 6912 1 637 . 1 1 54 54 LYS HA H 1 5.53 0.02 . 1 . . . . 54 LYS HA . 6912 1 638 . 1 1 54 54 LYS HB2 H 1 2.01 0.02 . 2 . . . . 54 LYS HB1 . 6912 1 639 . 1 1 54 54 LYS HB3 H 1 1.76 0.02 . 2 . . . . 54 LYS HB2 . 6912 1 640 . 1 1 54 54 LYS C C 13 171.0 0.2 . 1 . . . . 54 LYS C . 6912 1 641 . 1 1 54 54 LYS CA C 13 51.6 0.2 . 1 . . . . 54 LYS CA . 6912 1 642 . 1 1 54 54 LYS CB C 13 33.5 0.2 . 1 . . . . 54 LYS CB . 6912 1 643 . 1 1 54 54 LYS CG C 13 21.1 0.2 . 1 . . . . 54 LYS CG . 6912 1 644 . 1 1 54 54 LYS N N 15 116.2 0.2 . 1 . . . . 54 LYS N . 6912 1 645 . 1 1 55 55 LEU H H 1 9.22 0.02 . 1 . . . . 55 LEU HN . 6912 1 646 . 1 1 55 55 LEU HA H 1 4.54 0.02 . 1 . . . . 55 LEU HA . 6912 1 647 . 1 1 55 55 LEU HB2 H 1 1.14 0.02 . 2 . . . . 55 LEU HB1 . 6912 1 648 . 1 1 55 55 LEU HB3 H 1 1.25 0.02 . 2 . . . . 55 LEU HB2 . 6912 1 649 . 1 1 55 55 LEU HG H 1 1.51 0.02 . 1 . . . . 55 LEU HG . 6912 1 650 . 1 1 55 55 LEU HD11 H 1 0.64 0.02 . 2 . . . . 55 LEU HD11 . 6912 1 651 . 1 1 55 55 LEU HD12 H 1 0.64 0.02 . 2 . . . . 55 LEU HD11 . 6912 1 652 . 1 1 55 55 LEU HD13 H 1 0.64 0.02 . 2 . . . . 55 LEU HD11 . 6912 1 653 . 1 1 55 55 LEU HD21 H 1 0.51 0.02 . 2 . . . . 55 LEU HD21 . 6912 1 654 . 1 1 55 55 LEU HD22 H 1 0.51 0.02 . 2 . . . . 55 LEU HD21 . 6912 1 655 . 1 1 55 55 LEU HD23 H 1 0.51 0.02 . 2 . . . . 55 LEU HD21 . 6912 1 656 . 1 1 55 55 LEU C C 13 169.4 0.2 . 1 . . . . 55 LEU C . 6912 1 657 . 1 1 55 55 LEU CA C 13 53.4 0.2 . 1 . . . . 55 LEU CA . 6912 1 658 . 1 1 55 55 LEU CB C 13 44.5 0.2 . 1 . . . . 55 LEU CB . 6912 1 659 . 1 1 55 55 LEU CG C 13 24.8 0.2 . 1 . . . . 55 LEU CG . 6912 1 660 . 1 1 55 55 LEU CD1 C 13 21.5 0.2 . 1 . . . . 55 LEU CD1 . 6912 1 661 . 1 1 55 55 LEU CD2 C 13 25.0 0.2 . 1 . . . . 55 LEU CD2 . 6912 1 662 . 1 1 55 55 LEU N N 15 124.6 0.2 . 1 . . . . 55 LEU N . 6912 1 663 . 1 1 56 56 ASP H H 1 8.62 0.02 . 1 . . . . 56 ASP HN . 6912 1 664 . 1 1 56 56 ASP HA H 1 3.82 0.02 . 1 . . . . 56 ASP HA . 6912 1 665 . 1 1 56 56 ASP HB2 H 1 2.26 0.02 . 2 . . . . 56 ASP HB1 . 6912 1 666 . 1 1 56 56 ASP HB3 H 1 2.76 0.02 . 2 . . . . 56 ASP HB2 . 6912 1 667 . 1 1 56 56 ASP C C 13 168.1 0.2 . 1 . . . . 56 ASP C . 6912 1 668 . 1 1 56 56 ASP CA C 13 50.10 0.2 . 1 . . . . 56 ASP CA . 6912 1 669 . 1 1 56 56 ASP CB C 13 37.90 0.2 . 1 . . . . 56 ASP CB . 6912 1 670 . 1 1 56 56 ASP N N 15 126.9 0.2 . 1 . . . . 56 ASP N . 6912 1 671 . 1 1 57 57 VAL H H 1 8.85 0.02 . 1 . . . . 57 VAL HN . 6912 1 672 . 1 1 57 57 VAL HA H 1 3.51 0.02 . 1 . . . . 57 VAL HA . 6912 1 673 . 1 1 57 57 VAL HB H 1 2.21 0.02 . 1 . . . . 57 VAL HB . 6912 1 674 . 1 1 57 57 VAL HG11 H 1 1.09 0.02 . 2 . . . . 57 VAL HG11 . 6912 1 675 . 1 1 57 57 VAL HG12 H 1 1.09 0.02 . 2 . . . . 57 VAL HG11 . 6912 1 676 . 1 1 57 57 VAL HG13 H 1 1.09 0.02 . 2 . . . . 57 VAL HG11 . 6912 1 677 . 1 1 57 57 VAL HG21 H 1 0.94 0.02 . 2 . . . . 57 VAL HG21 . 6912 1 678 . 1 1 57 57 VAL HG22 H 1 0.94 0.02 . 2 . . . . 57 VAL HG21 . 6912 1 679 . 1 1 57 57 VAL HG23 H 1 0.94 0.02 . 2 . . . . 57 VAL HG21 . 6912 1 680 . 1 1 57 57 VAL C C 13 174.6 0.2 . 1 . . . . 57 VAL C . 6912 1 681 . 1 1 57 57 VAL CA C 13 62.4 0.2 . 1 . . . . 57 VAL CA . 6912 1 682 . 1 1 57 57 VAL CB C 13 29.1 0.2 . 1 . . . . 57 VAL CB . 6912 1 683 . 1 1 57 57 VAL CG1 C 13 16.0 0.2 . 1 . . . . 57 VAL CG1 . 6912 1 684 . 1 1 57 57 VAL CG2 C 13 16.0 0.2 . 1 . . . . 57 VAL CG2 . 6912 1 685 . 1 1 57 57 VAL N N 15 123.3 0.2 . 1 . . . . 57 VAL N . 6912 1 686 . 1 1 58 58 ASP H H 1 8.69 0.02 . 1 . . . . 58 ASP HN . 6912 1 687 . 1 1 58 58 ASP HA H 1 4.80 0.02 . 1 . . . . 58 ASP HA . 6912 1 688 . 1 1 58 58 ASP HB2 H 1 2.81 0.02 . 1 . . . . 58 ASP HB1 . 6912 1 689 . 1 1 58 58 ASP HB3 H 1 2.81 0.02 . 1 . . . . 58 ASP HB2 . 6912 1 690 . 1 1 58 58 ASP C C 13 172.2 0.2 . 1 . . . . 58 ASP C . 6912 1 691 . 1 1 58 58 ASP CA C 13 53.8 0.2 . 1 . . . . 58 ASP CA . 6912 1 692 . 1 1 58 58 ASP CB C 13 39.0 0.2 . 1 . . . . 58 ASP CB . 6912 1 693 . 1 1 58 58 ASP N N 15 118.4 0.2 . 1 . . . . 58 ASP N . 6912 1 694 . 1 1 59 59 GLU H H 1 7.67 0.02 . 1 . . . . 59 GLU HN . 6912 1 695 . 1 1 59 59 GLU HA H 1 4.42 0.02 . 1 . . . . 59 GLU HA . 6912 1 696 . 1 1 59 59 GLU HB2 H 1 2.08 0.02 . 2 . . . . 59 GLU HB1 . 6912 1 697 . 1 1 59 59 GLU HB3 H 1 2.19 0.02 . 2 . . . . 59 GLU HB2 . 6912 1 698 . 1 1 59 59 GLU HG2 H 1 2.30 0.02 . 1 . . . . 59 GLU HG1 . 6912 1 699 . 1 1 59 59 GLU HG3 H 1 2.30 0.02 . 1 . . . . 59 GLU HG2 . 6912 1 700 . 1 1 59 59 GLU C C 13 173.8 0.2 . 1 . . . . 59 GLU C . 6912 1 701 . 1 1 59 59 GLU CA C 13 55.2 0.2 . 1 . . . . 59 GLU CA . 6912 1 702 . 1 1 59 59 GLU CB C 13 29.1 0.2 . 1 . . . . 59 GLU CB . 6912 1 703 . 1 1 59 59 GLU CG C 13 33.5 0.2 . 1 . . . . 59 GLU CG . 6912 1 704 . 1 1 59 59 GLU N N 15 120.2 0.2 . 1 . . . . 59 GLU N . 6912 1 705 . 1 1 60 60 LEU H H 1 7.77 0.02 . 1 . . . . 60 LEU HN . 6912 1 706 . 1 1 60 60 LEU HA H 1 4.99 0.02 . 1 . . . . 60 LEU HA . 6912 1 707 . 1 1 60 60 LEU HB2 H 1 1.49 0.02 . 2 . . . . 60 LEU HB1 . 6912 1 708 . 1 1 60 60 LEU HB3 H 1 1.39 0.02 . 2 . . . . 60 LEU HB2 . 6912 1 709 . 1 1 60 60 LEU HD11 H 1 0.82 0.02 . 2 . . . . 60 LEU HD11 . 6912 1 710 . 1 1 60 60 LEU HD12 H 1 0.82 0.02 . 2 . . . . 60 LEU HD11 . 6912 1 711 . 1 1 60 60 LEU HD13 H 1 0.82 0.02 . 2 . . . . 60 LEU HD11 . 6912 1 712 . 1 1 60 60 LEU HD21 H 1 0.60 0.02 . 2 . . . . 60 LEU HD21 . 6912 1 713 . 1 1 60 60 LEU HD22 H 1 0.60 0.02 . 2 . . . . 60 LEU HD21 . 6912 1 714 . 1 1 60 60 LEU HD23 H 1 0.60 0.02 . 2 . . . . 60 LEU HD21 . 6912 1 715 . 1 1 60 60 LEU C C 13 173.4 0.2 . 1 . . . . 60 LEU C . 6912 1 716 . 1 1 60 60 LEU CA C 13 50.1 0.2 . 1 . . . . 60 LEU CA . 6912 1 717 . 1 1 60 60 LEU CB C 13 39.0 0.2 . 1 . . . . 60 LEU CB . 6912 1 718 . 1 1 60 60 LEU CG C 13 23.7 0.2 . 1 . . . . 60 LEU CG . 6912 1 719 . 1 1 60 60 LEU CD1 C 13 21.5 0.2 . 1 . . . . 60 LEU CD1 . 6912 1 720 . 1 1 60 60 LEU CD2 C 13 23.9 0.2 . 1 . . . . 60 LEU CD2 . 6912 1 721 . 1 1 60 60 LEU N N 15 121.4 0.2 . 1 . . . . 60 LEU N . 6912 1 722 . 1 1 61 61 GLY H H 1 8.29 0.02 . 1 . . . . 61 GLY HN . 6912 1 723 . 1 1 61 61 GLY HA2 H 1 4.02 0.02 . 2 . . . . 61 GLY HA1 . 6912 1 724 . 1 1 61 61 GLY HA3 H 1 3.91 0.02 . 2 . . . . 61 GLY HA2 . 6912 1 725 . 1 1 61 61 GLY C C 13 173.42 0.2 . 1 . . . . 61 GLY C . 6912 1 726 . 1 1 61 61 GLY CA C 13 45.98 0.2 . 1 . . . . 61 GLY CA . 6912 1 727 . 1 1 61 61 GLY N N 15 110.7 0.2 . 1 . . . . 61 GLY N . 6912 1 728 . 1 1 62 62 ASP H H 1 9.24 0.02 . 1 . . . . 62 ASP HN . 6912 1 729 . 1 1 62 62 ASP HA H 1 4.38 0.02 . 1 . . . . 62 ASP HA . 6912 1 730 . 1 1 62 62 ASP HB2 H 1 2.55 0.02 . 2 . . . . 62 ASP HB1 . 6912 1 731 . 1 1 62 62 ASP HB3 H 1 2.69 0.02 . 2 . . . . 62 ASP HB2 . 6912 1 732 . 1 1 62 62 ASP C C 13 172.6 0.2 . 1 . . . . 62 ASP C . 6912 1 733 . 1 1 62 62 ASP CA C 13 54.4 0.2 . 1 . . . . 62 ASP CA . 6912 1 734 . 1 1 62 62 ASP CB C 13 36.8 0.2 . 1 . . . . 62 ASP CB . 6912 1 735 . 1 1 62 62 ASP N N 15 119.6 0.2 . 1 . . . . 62 ASP N . 6912 1 736 . 1 1 63 63 VAL H H 1 7.35 0.02 . 1 . . . . 63 VAL HN . 6912 1 737 . 1 1 63 63 VAL HA H 1 3.42 0.02 . 1 . . . . 63 VAL HA . 6912 1 738 . 1 1 63 63 VAL HB H 1 1.95 0.02 . 1 . . . . 63 VAL HB . 6912 1 739 . 1 1 63 63 VAL HG11 H 1 0.73 0.02 . 2 . . . . 63 VAL HG11 . 6912 1 740 . 1 1 63 63 VAL HG12 H 1 0.73 0.02 . 2 . . . . 63 VAL HG11 . 6912 1 741 . 1 1 63 63 VAL HG13 H 1 0.73 0.02 . 2 . . . . 63 VAL HG11 . 6912 1 742 . 1 1 63 63 VAL HG21 H 1 -0.17 0.02 . 2 . . . . 63 VAL HG21 . 6912 1 743 . 1 1 63 63 VAL HG22 H 1 -0.17 0.02 . 2 . . . . 63 VAL HG21 . 6912 1 744 . 1 1 63 63 VAL HG23 H 1 -0.17 0.02 . 2 . . . . 63 VAL HG21 . 6912 1 745 . 1 1 63 63 VAL C C 13 175.3 0.2 . 1 . . . . 63 VAL C . 6912 1 746 . 1 1 63 63 VAL CA C 13 63.2 0.2 . 1 . . . . 63 VAL CA . 6912 1 747 . 1 1 63 63 VAL CB C 13 29.1 0.2 . 1 . . . . 63 VAL CB . 6912 1 748 . 1 1 63 63 VAL CG1 C 13 18.5 0.2 . 1 . . . . 63 VAL CG1 . 6912 1 749 . 1 1 63 63 VAL CG2 C 13 19.8 0.2 . 1 . . . . 63 VAL CG2 . 6912 1 750 . 1 1 63 63 VAL N N 15 120.5 0.2 . 1 . . . . 63 VAL N . 6912 1 751 . 1 1 64 64 ALA H H 1 7.41 0.02 . 1 . . . . 64 ALA HN . 6912 1 752 . 1 1 64 64 ALA HA H 1 3.92 0.02 . 1 . . . . 64 ALA HA . 6912 1 753 . 1 1 64 64 ALA HB1 H 1 1.57 0.02 . 1 . . . . 64 ALA HB1 . 6912 1 754 . 1 1 64 64 ALA HB2 H 1 1.57 0.02 . 1 . . . . 64 ALA HB1 . 6912 1 755 . 1 1 64 64 ALA HB3 H 1 1.57 0.02 . 1 . . . . 64 ALA HB1 . 6912 1 756 . 1 1 64 64 ALA C C 13 175.7 0.2 . 1 . . . . 64 ALA C . 6912 1 757 . 1 1 64 64 ALA CA C 13 53.8 0.2 . 1 . . . . 64 ALA CA . 6912 1 758 . 1 1 64 64 ALA CB C 13 16.0 0.2 . 1 . . . . 64 ALA CB . 6912 1 759 . 1 1 64 64 ALA N N 15 122.7 0.2 . 1 . . . . 64 ALA N . 6912 1 760 . 1 1 65 65 GLN H H 1 8.44 0.02 . 1 . . . . 65 GLN HN . 6912 1 761 . 1 1 65 65 GLN HA H 1 4.01 0.02 . 1 . . . . 65 GLN HA . 6912 1 762 . 1 1 65 65 GLN HB2 H 1 2.16 0.02 . 1 . . . . 65 GLN HB1 . 6912 1 763 . 1 1 65 65 GLN HB3 H 1 2.16 0.02 . 1 . . . . 65 GLN HB2 . 6912 1 764 . 1 1 65 65 GLN HG2 H 1 2.50 0.02 . 2 . . . . 65 GLN HG1 . 6912 1 765 . 1 1 65 65 GLN HG3 H 1 2.41 0.02 . 2 . . . . 65 GLN HG2 . 6912 1 766 . 1 1 65 65 GLN HE21 H 1 6.79 0.02 . 2 . . . . 65 GLN HE21 . 6912 1 767 . 1 1 65 65 GLN HE22 H 1 7.45 0.02 . 2 . . . . 65 GLN HE22 . 6912 1 768 . 1 1 65 65 GLN C C 13 174.9 0.2 . 1 . . . . 65 GLN C . 6912 1 769 . 1 1 65 65 GLN CA C 13 57.0 0.2 . 1 . . . . 65 GLN CA . 6912 1 770 . 1 1 65 65 GLN CB C 13 25.9 0.2 . 1 . . . . 65 GLN CB . 6912 1 771 . 1 1 65 65 GLN CG C 13 31.3 0.2 . 1 . . . . 65 GLN CG . 6912 1 772 . 1 1 65 65 GLN N N 15 117.6 0.2 . 1 . . . . 65 GLN N . 6912 1 773 . 1 1 65 65 GLN NE2 N 15 111.5 0.2 . 1 . . . . 65 GLN NE2 . 6912 1 774 . 1 1 66 66 LYS H H 1 8.02 0.02 . 1 . . . . 66 LYS HN . 6912 1 775 . 1 1 66 66 LYS HA H 1 4.12 0.02 . 1 . . . . 66 LYS HA . 6912 1 776 . 1 1 66 66 LYS HB2 H 1 1.93 0.02 . 2 . . . . 66 LYS HB1 . 6912 1 777 . 1 1 66 66 LYS HB3 H 1 1.86 0.02 . 2 . . . . 66 LYS HB2 . 6912 1 778 . 1 1 66 66 LYS HG2 H 1 1.53 0.02 . 1 . . . . 66 LYS HG1 . 6912 1 779 . 1 1 66 66 LYS HG3 H 1 1.53 0.02 . 1 . . . . 66 LYS HG2 . 6912 1 780 . 1 1 66 66 LYS HD2 H 1 1.64 0.02 . 1 . . . . 66 LYS HD1 . 6912 1 781 . 1 1 66 66 LYS HD3 H 1 1.64 0.02 . 1 . . . . 66 LYS HD2 . 6912 1 782 . 1 1 66 66 LYS HE2 H 1 2.96 0.02 . 1 . . . . 66 LYS HE1 . 6912 1 783 . 1 1 66 66 LYS HE3 H 1 2.96 0.02 . 1 . . . . 66 LYS HE2 . 6912 1 784 . 1 1 66 66 LYS C C 13 176.9 0.2 . 1 . . . . 66 LYS C . 6912 1 785 . 1 1 66 66 LYS CA C 13 56.7 0.2 . 1 . . . . 66 LYS CA . 6912 1 786 . 1 1 66 66 LYS CB C 13 30.2 0.2 . 1 . . . . 66 LYS CB . 6912 1 787 . 1 1 66 66 LYS CG C 13 22.9 0.2 . 1 . . . . 66 LYS CG . 6912 1 788 . 1 1 66 66 LYS CD C 13 27.0 0.2 . 1 . . . . 66 LYS CD . 6912 1 789 . 1 1 66 66 LYS N N 15 120.1 0.2 . 1 . . . . 66 LYS N . 6912 1 790 . 1 1 67 67 ASN H H 1 7.17 0.02 . 1 . . . . 67 ASN HN . 6912 1 791 . 1 1 67 67 ASN HA H 1 4.75 0.02 . 1 . . . . 67 ASN HA . 6912 1 792 . 1 1 67 67 ASN HB2 H 1 2.80 0.02 . 2 . . . . 67 ASN HB1 . 6912 1 793 . 1 1 67 67 ASN HB3 H 1 2.14 0.02 . 2 . . . . 67 ASN HB2 . 6912 1 794 . 1 1 67 67 ASN HD21 H 1 7.62 0.02 . 2 . . . . 67 ASN HD21 . 6912 1 795 . 1 1 67 67 ASN HD22 H 1 6.13 0.02 . 2 . . . . 67 ASN HD22 . 6912 1 796 . 1 1 67 67 ASN C C 13 173.3 0.2 . 1 . . . . 67 ASN C . 6912 1 797 . 1 1 67 67 ASN CA C 13 51.9 0.2 . 1 . . . . 67 ASN CA . 6912 1 798 . 1 1 67 67 ASN CB C 13 37.9 0.2 . 1 . . . . 67 ASN CB . 6912 1 799 . 1 1 67 67 ASN N N 15 114.7 0.2 . 1 . . . . 67 ASN N . 6912 1 800 . 1 1 67 67 ASN ND2 N 15 113.2 0.2 . 1 . . . . 67 ASN ND2 . 6912 1 801 . 1 1 68 68 GLU H H 1 7.84 0.02 . 1 . . . . 68 GLU HN . 6912 1 802 . 1 1 68 68 GLU HA H 1 3.80 0.02 . 1 . . . . 68 GLU HA . 6912 1 803 . 1 1 68 68 GLU HB2 H 1 1.99 0.02 . 2 . . . . 68 GLU HB1 . 6912 1 804 . 1 1 68 68 GLU HB3 H 1 2.13 0.02 . 2 . . . . 68 GLU HB2 . 6912 1 805 . 1 1 68 68 GLU HG2 H 1 2.16 0.02 . 1 . . . . 68 GLU HG1 . 6912 1 806 . 1 1 68 68 GLU HG3 H 1 2.16 0.02 . 1 . . . . 68 GLU HG2 . 6912 1 807 . 1 1 68 68 GLU C C 13 168.0 0.2 . 1 . . . . 68 GLU C . 6912 1 808 . 1 1 68 68 GLU CA C 13 54.8 0.2 . 1 . . . . 68 GLU CA . 6912 1 809 . 1 1 68 68 GLU CB C 13 24.8 0.2 . 1 . . . . 68 GLU CB . 6912 1 810 . 1 1 68 68 GLU CG C 13 33.8 0.2 . 1 . . . . 68 GLU CG . 6912 1 811 . 1 1 68 68 GLU N N 15 114.3 0.2 . 1 . . . . 68 GLU N . 6912 1 812 . 1 1 69 69 VAL H H 1 7.84 0.02 . 1 . . . . 69 VAL HN . 6912 1 813 . 1 1 69 69 VAL HA H 1 4.02 0.02 . 1 . . . . 69 VAL HA . 6912 1 814 . 1 1 69 69 VAL HB H 1 1.56 0.02 . 1 . . . . 69 VAL HB . 6912 1 815 . 1 1 69 69 VAL HG11 H 1 0.69 0.02 . 2 . . . . 69 VAL HG11 . 6912 1 816 . 1 1 69 69 VAL HG12 H 1 0.69 0.02 . 2 . . . . 69 VAL HG11 . 6912 1 817 . 1 1 69 69 VAL HG13 H 1 0.69 0.02 . 2 . . . . 69 VAL HG11 . 6912 1 818 . 1 1 69 69 VAL HG21 H 1 -0.04 0.02 . 2 . . . . 69 VAL HG21 . 6912 1 819 . 1 1 69 69 VAL HG22 H 1 -0.04 0.02 . 2 . . . . 69 VAL HG21 . 6912 1 820 . 1 1 69 69 VAL HG23 H 1 -0.04 0.02 . 2 . . . . 69 VAL HG21 . 6912 1 821 . 1 1 69 69 VAL C C 13 173.5 0.2 . 1 . . . . 69 VAL C . 6912 1 822 . 1 1 69 69 VAL CA C 13 60.8 0.2 . 1 . . . . 69 VAL CA . 6912 1 823 . 1 1 69 69 VAL CB C 13 28.1 0.2 . 1 . . . . 69 VAL CB . 6912 1 824 . 1 1 69 69 VAL CG1 C 13 18.5 0.2 . 1 . . . . 69 VAL CG1 . 6912 1 825 . 1 1 69 69 VAL CG2 C 13 18.5 0.2 . 1 . . . . 69 VAL CG2 . 6912 1 826 . 1 1 69 69 VAL N N 15 120.1 0.2 . 1 . . . . 69 VAL N . 6912 1 827 . 1 1 70 70 SER H H 1 8.69 0.02 . 1 . . . . 70 SER HN . 6912 1 828 . 1 1 70 70 SER HA H 1 4.54 0.02 . 1 . . . . 70 SER HA . 6912 1 829 . 1 1 70 70 SER HB2 H 1 3.93 0.02 . 2 . . . . 70 SER HB1 . 6912 1 830 . 1 1 70 70 SER HB3 H 1 3.65 0.02 . 2 . . . . 70 SER HB2 . 6912 1 831 . 1 1 70 70 SER CA C 13 55.41 0.2 . 1 . . . . 70 SER CA . 6912 1 832 . 1 1 70 70 SER CB C 13 63.05 0.2 . 1 . . . . 70 SER CB . 6912 1 833 . 1 1 70 70 SER N N 15 122.1 0.2 . 1 . . . . 70 SER N . 6912 1 834 . 1 1 71 71 ALA H H 1 7.93 0.02 . 1 . . . . 71 ALA HN . 6912 1 835 . 1 1 71 71 ALA HA H 1 4.58 0.02 . 1 . . . . 71 ALA HA . 6912 1 836 . 1 1 71 71 ALA HB1 H 1 1.28 0.02 . 1 . . . . 71 ALA HB1 . 6912 1 837 . 1 1 71 71 ALA HB2 H 1 1.28 0.02 . 1 . . . . 71 ALA HB1 . 6912 1 838 . 1 1 71 71 ALA HB3 H 1 1.28 0.02 . 1 . . . . 71 ALA HB1 . 6912 1 839 . 1 1 71 71 ALA C C 13 168.9 0.2 . 1 . . . . 71 ALA C . 6912 1 840 . 1 1 71 71 ALA CA C 13 49.3 0.2 . 1 . . . . 71 ALA CA . 6912 1 841 . 1 1 71 71 ALA CB C 13 19.3 0.2 . 1 . . . . 71 ALA CB . 6912 1 842 . 1 1 71 71 ALA N N 15 125.6 0.2 . 1 . . . . 71 ALA N . 6912 1 843 . 1 1 72 72 MET H H 1 8.56 0.02 . 1 . . . . 72 MET HN . 6912 1 844 . 1 1 72 72 MET HA H 1 4.94 0.02 . 1 . . . . 72 MET HA . 6912 1 845 . 1 1 72 72 MET HB2 H 1 1.73 0.02 . 2 . . . . 72 MET HB1 . 6912 1 846 . 1 1 72 72 MET HB3 H 1 2.05 0.02 . 2 . . . . 72 MET HB2 . 6912 1 847 . 1 1 72 72 MET HG2 H 1 2.39 0.02 . 2 . . . . 72 MET HG1 . 6912 1 848 . 1 1 72 72 MET HG3 H 1 2.26 0.02 . 2 . . . . 72 MET HG2 . 6912 1 849 . 1 1 72 72 MET C C 13 171.8 0.2 . 1 . . . . 72 MET C . 6912 1 850 . 1 1 72 72 MET CA C 13 50.3 0.2 . 1 . . . . 72 MET CA . 6912 1 851 . 1 1 72 72 MET CB C 13 32.4 0.2 . 1 . . . . 72 MET CB . 6912 1 852 . 1 1 72 72 MET CG C 13 30.7 0.2 . 1 . . . . 72 MET CG . 6912 1 853 . 1 1 72 72 MET N N 15 118.6 0.2 . 1 . . . . 72 MET N . 6912 1 854 . 1 1 73 73 PRO HA H 1 5.03 0.02 . 1 . . . . 73 PRO HA . 6912 1 855 . 1 1 73 73 PRO HB2 H 1 2.90 0.02 . 2 . . . . 73 PRO HB1 . 6912 1 856 . 1 1 73 73 PRO HB3 H 1 2.13 0.02 . 2 . . . . 73 PRO HB2 . 6912 1 857 . 1 1 73 73 PRO HG2 H 1 1.73 0.02 . 1 . . . . 73 PRO HG1 . 6912 1 858 . 1 1 73 73 PRO HG3 H 1 1.73 0.02 . 1 . . . . 73 PRO HG2 . 6912 1 859 . 1 1 73 73 PRO HD2 H 1 3.48 0.02 . 1 . . . . 73 PRO HD1 . 6912 1 860 . 1 1 73 73 PRO HD3 H 1 3.48 0.02 . 1 . . . . 73 PRO HD2 . 6912 1 861 . 1 1 73 73 PRO CA C 13 61.2 0.2 . 1 . . . . 73 PRO CA . 6912 1 862 . 1 1 73 73 PRO CB C 13 32.5 0.2 . 1 . . . . 73 PRO CB . 6912 1 863 . 1 1 73 73 PRO CD C 13 47.7 0.2 . 1 . . . . 73 PRO CD . 6912 1 864 . 1 1 74 74 THR H H 1 8.30 0.02 . 1 . . . . 74 THR HN . 6912 1 865 . 1 1 74 74 THR HA H 1 5.06 0.02 . 1 . . . . 74 THR HA . 6912 1 866 . 1 1 74 74 THR HB H 1 3.97 0.02 . 1 . . . . 74 THR HB . 6912 1 867 . 1 1 74 74 THR HG21 H 1 1.05 0.02 . 1 . . . . 74 THR HG21 . 6912 1 868 . 1 1 74 74 THR HG22 H 1 1.05 0.02 . 1 . . . . 74 THR HG21 . 6912 1 869 . 1 1 74 74 THR HG23 H 1 1.05 0.02 . 1 . . . . 74 THR HG21 . 6912 1 870 . 1 1 74 74 THR C C 13 172.9 0.2 . 1 . . . . 74 THR C . 6912 1 871 . 1 1 74 74 THR CA C 13 61.5 0.2 . 1 . . . . 74 THR CA . 6912 1 872 . 1 1 74 74 THR CB C 13 70.7 0.2 . 1 . . . . 74 THR CB . 6912 1 873 . 1 1 74 74 THR CG2 C 13 19.3 0.2 . 1 . . . . 74 THR CG2 . 6912 1 874 . 1 1 74 74 THR N N 15 116.2 0.2 . 1 . . . . 74 THR N . 6912 1 875 . 1 1 75 75 LEU H H 1 9.43 0.02 . 1 . . . . 75 LEU HN . 6912 1 876 . 1 1 75 75 LEU HA H 1 5.63 0.02 . 1 . . . . 75 LEU HA . 6912 1 877 . 1 1 75 75 LEU HB2 H 1 1.74 0.02 . 2 . . . . 75 LEU HB1 . 6912 1 878 . 1 1 75 75 LEU HB3 H 1 1.57 0.02 . 2 . . . . 75 LEU HB2 . 6912 1 879 . 1 1 75 75 LEU HG H 1 1.72 0.02 . 1 . . . . 75 LEU HG . 6912 1 880 . 1 1 75 75 LEU HD11 H 1 0.96 0.02 . 2 . . . . 75 LEU HD11 . 6912 1 881 . 1 1 75 75 LEU HD12 H 1 0.96 0.02 . 2 . . . . 75 LEU HD11 . 6912 1 882 . 1 1 75 75 LEU HD13 H 1 0.96 0.02 . 2 . . . . 75 LEU HD11 . 6912 1 883 . 1 1 75 75 LEU HD21 H 1 0.88 0.02 . 2 . . . . 75 LEU HD21 . 6912 1 884 . 1 1 75 75 LEU HD22 H 1 0.88 0.02 . 2 . . . . 75 LEU HD21 . 6912 1 885 . 1 1 75 75 LEU HD23 H 1 0.88 0.02 . 2 . . . . 75 LEU HD21 . 6912 1 886 . 1 1 75 75 LEU C C 13 167.6 0.2 . 1 . . . . 75 LEU C . 6912 1 887 . 1 1 75 75 LEU CA C 13 50.5 0.2 . 1 . . . . 75 LEU CA . 6912 1 888 . 1 1 75 75 LEU CB C 13 41.2 0.2 . 1 . . . . 75 LEU CB . 6912 1 889 . 1 1 75 75 LEU CG C 13 25.9 0.2 . 1 . . . . 75 LEU CG . 6912 1 890 . 1 1 75 75 LEU CD1 C 13 23.2 0.2 . 1 . . . . 75 LEU CD1 . 6912 1 891 . 1 1 75 75 LEU CD2 C 13 22.1 0.2 . 1 . . . . 75 LEU CD2 . 6912 1 892 . 1 1 75 75 LEU N N 15 130.2 0.2 . 1 . . . . 75 LEU N . 6912 1 893 . 1 1 76 76 LEU H H 1 9.24 0.02 . 1 . . . . 76 LEU HN . 6912 1 894 . 1 1 76 76 LEU HA H 1 4.96 0.02 . 1 . . . . 76 LEU HA . 6912 1 895 . 1 1 76 76 LEU HB2 H 1 1.39 0.02 . 2 . . . . 76 LEU HB1 . 6912 1 896 . 1 1 76 76 LEU HB3 H 1 1.99 0.02 . 2 . . . . 76 LEU HB2 . 6912 1 897 . 1 1 76 76 LEU HG H 1 1.57 0.02 . 1 . . . . 76 LEU HG . 6912 1 898 . 1 1 76 76 LEU HD11 H 1 0.89 0.02 . 2 . . . . 76 LEU HD11 . 6912 1 899 . 1 1 76 76 LEU HD12 H 1 0.89 0.02 . 2 . . . . 76 LEU HD11 . 6912 1 900 . 1 1 76 76 LEU HD13 H 1 0.89 0.02 . 2 . . . . 76 LEU HD11 . 6912 1 901 . 1 1 76 76 LEU HD21 H 1 0.86 0.02 . 2 . . . . 76 LEU HD21 . 6912 1 902 . 1 1 76 76 LEU HD22 H 1 0.86 0.02 . 2 . . . . 76 LEU HD21 . 6912 1 903 . 1 1 76 76 LEU HD23 H 1 0.86 0.02 . 2 . . . . 76 LEU HD21 . 6912 1 904 . 1 1 76 76 LEU C C 13 171.5 0.2 . 1 . . . . 76 LEU C . 6912 1 905 . 1 1 76 76 LEU CA C 13 51.3 0.2 . 1 . . . . 76 LEU CA . 6912 1 906 . 1 1 76 76 LEU CB C 13 44.5 0.2 . 1 . . . . 76 LEU CB . 6912 1 907 . 1 1 76 76 LEU CG C 13 25.3 0.2 . 1 . . . . 76 LEU CG . 6912 1 908 . 1 1 76 76 LEU CD1 C 13 23.7 0.2 . 1 . . . . 76 LEU CD1 . 6912 1 909 . 1 1 76 76 LEU CD2 C 13 23.2 0.2 . 1 . . . . 76 LEU CD2 . 6912 1 910 . 1 1 76 76 LEU N N 15 123.6 0.2 . 1 . . . . 76 LEU N . 6912 1 911 . 1 1 77 77 LEU H H 1 8.24 0.02 . 1 . . . . 77 LEU HN . 6912 1 912 . 1 1 77 77 LEU HA H 1 5.36 0.02 . 1 . . . . 77 LEU HA . 6912 1 913 . 1 1 77 77 LEU HB2 H 1 1.35 0.02 . 2 . . . . 77 LEU HB1 . 6912 1 914 . 1 1 77 77 LEU HB3 H 1 1.41 0.02 . 2 . . . . 77 LEU HB2 . 6912 1 915 . 1 1 77 77 LEU HG H 1 1.63 0.02 . 1 . . . . 77 LEU HG . 6912 1 916 . 1 1 77 77 LEU HD11 H 1 0.66 0.02 . 2 . . . . 77 LEU HD11 . 6912 1 917 . 1 1 77 77 LEU HD12 H 1 0.66 0.02 . 2 . . . . 77 LEU HD11 . 6912 1 918 . 1 1 77 77 LEU HD13 H 1 0.66 0.02 . 2 . . . . 77 LEU HD11 . 6912 1 919 . 1 1 77 77 LEU HD21 H 1 0.61 0.02 . 2 . . . . 77 LEU HD21 . 6912 1 920 . 1 1 77 77 LEU HD22 H 1 0.61 0.02 . 2 . . . . 77 LEU HD21 . 6912 1 921 . 1 1 77 77 LEU HD23 H 1 0.61 0.02 . 2 . . . . 77 LEU HD21 . 6912 1 922 . 1 1 77 77 LEU C C 13 170.6 0.2 . 1 . . . . 77 LEU C . 6912 1 923 . 1 1 77 77 LEU CA C 13 52.5 0.2 . 1 . . . . 77 LEU CA . 6912 1 924 . 1 1 77 77 LEU CB C 13 40.1 0.2 . 1 . . . . 77 LEU CB . 6912 1 925 . 1 1 77 77 LEU CG C 13 28.3 0.2 . 1 . . . . 77 LEU CG . 6912 1 926 . 1 1 77 77 LEU CD1 C 13 20.4 0.2 . 1 . . . . 77 LEU CD1 . 6912 1 927 . 1 1 77 77 LEU CD2 C 13 25.8 0.2 . 1 . . . . 77 LEU CD2 . 6912 1 928 . 1 1 77 77 LEU N N 15 122.8 0.2 . 1 . . . . 77 LEU N . 6912 1 929 . 1 1 78 78 PHE H H 1 9.85 0.02 . 1 . . . . 78 PHE HN . 6912 1 930 . 1 1 78 78 PHE HA H 1 5.49 0.02 . 1 . . . . 78 PHE HA . 6912 1 931 . 1 1 78 78 PHE HB2 H 1 2.84 0.02 . 2 . . . . 78 PHE HB1 . 6912 1 932 . 1 1 78 78 PHE HB3 H 1 2.87 0.02 . 2 . . . . 78 PHE HB2 . 6912 1 933 . 1 1 78 78 PHE HD1 H 1 6.89 0.02 . 1 . . . . 78 PHE HD1 . 6912 1 934 . 1 1 78 78 PHE HD2 H 1 6.89 0.02 . 1 . . . . 78 PHE HD2 . 6912 1 935 . 1 1 78 78 PHE HE1 H 1 7.37 0.02 . 1 . . . . 78 PHE HE1 . 6912 1 936 . 1 1 78 78 PHE HE2 H 1 7.37 0.02 . 1 . . . . 78 PHE HE2 . 6912 1 937 . 1 1 78 78 PHE HZ H 1 7.50 0.02 . 1 . . . . 78 PHE HZ . 6912 1 938 . 1 1 78 78 PHE C C 13 171.4 0.2 . 1 . . . . 78 PHE C . 6912 1 939 . 1 1 78 78 PHE CA C 13 54.2 0.2 . 1 . . . . 78 PHE CA . 6912 1 940 . 1 1 78 78 PHE CB C 13 42.3 0.2 . 1 . . . . 78 PHE CB . 6912 1 941 . 1 1 78 78 PHE CD1 C 13 129.8 0.2 . 1 . . . . 78 PHE CD1 . 6912 1 942 . 1 1 78 78 PHE CD2 C 13 129.8 0.2 . 1 . . . . 78 PHE CD2 . 6912 1 943 . 1 1 78 78 PHE CE1 C 13 128.5 0.2 . 1 . . . . 78 PHE CE1 . 6912 1 944 . 1 1 78 78 PHE CE2 C 13 128.5 0.2 . 1 . . . . 78 PHE CE2 . 6912 1 945 . 1 1 78 78 PHE CZ C 13 127.8 0.2 . 1 . . . . 78 PHE CZ . 6912 1 946 . 1 1 78 78 PHE N N 15 121.7 0.2 . 1 . . . . 78 PHE N . 6912 1 947 . 1 1 79 79 LYS H H 1 8.83 0.02 . 1 . . . . 79 LYS HN . 6912 1 948 . 1 1 79 79 LYS HA H 1 4.89 0.02 . 1 . . . . 79 LYS HA . 6912 1 949 . 1 1 79 79 LYS HB2 H 1 1.66 0.02 . 2 . . . . 79 LYS HB1 . 6912 1 950 . 1 1 79 79 LYS HB3 H 1 1.75 0.02 . 2 . . . . 79 LYS HB2 . 6912 1 951 . 1 1 79 79 LYS HG2 H 1 1.27 0.02 . 1 . . . . 79 LYS HG1 . 6912 1 952 . 1 1 79 79 LYS HG3 H 1 1.27 0.02 . 1 . . . . 79 LYS HG2 . 6912 1 953 . 1 1 79 79 LYS HD2 H 1 1.43 0.02 . 1 . . . . 79 LYS HD1 . 6912 1 954 . 1 1 79 79 LYS HD3 H 1 1.43 0.02 . 1 . . . . 79 LYS HD2 . 6912 1 955 . 1 1 79 79 LYS HE2 H 1 3.00 0.02 . 1 . . . . 79 LYS HE1 . 6912 1 956 . 1 1 79 79 LYS HE3 H 1 3.00 0.02 . 1 . . . . 79 LYS HE2 . 6912 1 957 . 1 1 79 79 LYS C C 13 170.8 0.2 . 1 . . . . 79 LYS C . 6912 1 958 . 1 1 79 79 LYS CA C 13 55.4 0.2 . 1 . . . . 79 LYS CA . 6912 1 959 . 1 1 79 79 LYS CB C 13 34.6 0.2 . 1 . . . . 79 LYS CB . 6912 1 960 . 1 1 79 79 LYS CG C 13 23.3 0.2 . 1 . . . . 79 LYS CG . 6912 1 961 . 1 1 79 79 LYS CD C 13 23.2 0.2 . 1 . . . . 79 LYS CD . 6912 1 962 . 1 1 79 79 LYS CE C 13 40.1 0.2 . 1 . . . . 79 LYS CE . 6912 1 963 . 1 1 79 79 LYS N N 15 117.1 0.2 . 1 . . . . 79 LYS N . 6912 1 964 . 1 1 80 80 ASN H H 1 9.03 0.02 . 1 . . . . 80 ASN HN . 6912 1 965 . 1 1 80 80 ASN HA H 1 4.35 0.02 . 1 . . . . 80 ASN HA . 6912 1 966 . 1 1 80 80 ASN HB2 H 1 3.13 0.02 . 2 . . . . 80 ASN HB1 . 6912 1 967 . 1 1 80 80 ASN HB3 H 1 2.69 0.02 . 2 . . . . 80 ASN HB2 . 6912 1 968 . 1 1 80 80 ASN HD21 H 1 7.00 0.02 . 2 . . . . 80 ASN HD21 . 6912 1 969 . 1 1 80 80 ASN HD22 H 1 7.45 0.02 . 2 . . . . 80 ASN HD22 . 6912 1 970 . 1 1 80 80 ASN C C 13 174.0 0.2 . 1 . . . . 80 ASN C . 6912 1 971 . 1 1 80 80 ASN CA C 13 52.3 0.2 . 1 . . . . 80 ASN CA . 6912 1 972 . 1 1 80 80 ASN CB C 13 34.6 0.2 . 1 . . . . 80 ASN CB . 6912 1 973 . 1 1 80 80 ASN N N 15 125.5 0.2 . 1 . . . . 80 ASN N . 6912 1 974 . 1 1 80 80 ASN ND2 N 15 111.1 0.2 . 1 . . . . 80 ASN ND2 . 6912 1 975 . 1 1 81 81 GLY H H 1 8.73 0.02 . 1 . . . . 81 GLY HN . 6912 1 976 . 1 1 81 81 GLY HA2 H 1 4.18 0.02 . 2 . . . . 81 GLY HA1 . 6912 1 977 . 1 1 81 81 GLY HA3 H 1 3.40 0.02 . 2 . . . . 81 GLY HA2 . 6912 1 978 . 1 1 81 81 GLY C C 13 171.7 0.2 . 1 . . . . 81 GLY C . 6912 1 979 . 1 1 81 81 GLY CA C 13 43.4 0.2 . 1 . . . . 81 GLY CA . 6912 1 980 . 1 1 81 81 GLY N N 15 102.6 0.2 . 1 . . . . 81 GLY N . 6912 1 981 . 1 1 82 82 LYS H H 1 7.67 0.02 . 1 . . . . 82 LYS HN . 6912 1 982 . 1 1 82 82 LYS HA H 1 4.82 0.02 . 1 . . . . 82 LYS HA . 6912 1 983 . 1 1 82 82 LYS HB2 H 1 1.78 0.02 . 2 . . . . 82 LYS HB1 . 6912 1 984 . 1 1 82 82 LYS HB3 H 1 1.86 0.02 . 2 . . . . 82 LYS HB2 . 6912 1 985 . 1 1 82 82 LYS HG2 H 1 1.46 0.02 . 1 . . . . 82 LYS HG1 . 6912 1 986 . 1 1 82 82 LYS HG3 H 1 1.46 0.02 . 1 . . . . 82 LYS HG2 . 6912 1 987 . 1 1 82 82 LYS HD2 H 1 1.75 0.02 . 1 . . . . 82 LYS HD1 . 6912 1 988 . 1 1 82 82 LYS HD3 H 1 1.75 0.02 . 1 . . . . 82 LYS HD2 . 6912 1 989 . 1 1 82 82 LYS HE2 H 1 3.07 0.02 . 1 . . . . 82 LYS HE1 . 6912 1 990 . 1 1 82 82 LYS HE3 H 1 3.07 0.02 . 1 . . . . 82 LYS HE2 . 6912 1 991 . 1 1 82 82 LYS C C 13 169.6 0.2 . 1 . . . . 82 LYS C . 6912 1 992 . 1 1 82 82 LYS CA C 13 51.9 0.2 . 1 . . . . 82 LYS CA . 6912 1 993 . 1 1 82 82 LYS CB C 13 33.5 0.2 . 1 . . . . 82 LYS CB . 6912 1 994 . 1 1 82 82 LYS CG C 13 22.6 0.2 . 1 . . . . 82 LYS CG . 6912 1 995 . 1 1 82 82 LYS N N 15 118.9 0.2 . 1 . . . . 82 LYS N . 6912 1 996 . 1 1 83 83 GLU H H 1 8.89 0.02 . 1 . . . . 83 GLU HN . 6912 1 997 . 1 1 83 83 GLU HA H 1 3.97 0.02 . 1 . . . . 83 GLU HA . 6912 1 998 . 1 1 83 83 GLU HB2 H 1 1.67 0.02 . 1 . . . . 83 GLU HB1 . 6912 1 999 . 1 1 83 83 GLU HB3 H 1 1.67 0.02 . 1 . . . . 83 GLU HB2 . 6912 1 1000 . 1 1 83 83 GLU HG2 H 1 1.78 0.02 . 1 . . . . 83 GLU HG1 . 6912 1 1001 . 1 1 83 83 GLU HG3 H 1 1.78 0.02 . 1 . . . . 83 GLU HG2 . 6912 1 1002 . 1 1 83 83 GLU C C 13 171.2 0.2 . 1 . . . . 83 GLU C . 6912 1 1003 . 1 1 83 83 GLU CA C 13 54.6 0.2 . 1 . . . . 83 GLU CA . 6912 1 1004 . 1 1 83 83 GLU CB C 13 28.0 0.2 . 1 . . . . 83 GLU CB . 6912 1 1005 . 1 1 83 83 GLU CG C 13 34.0 0.2 . 1 . . . . 83 GLU CG . 6912 1 1006 . 1 1 83 83 GLU N N 15 125.0 0.2 . 1 . . . . 83 GLU N . 6912 1 1007 . 1 1 84 84 VAL H H 1 9.39 0.02 . 1 . . . . 84 VAL HN . 6912 1 1008 . 1 1 84 84 VAL HA H 1 4.51 0.02 . 1 . . . . 84 VAL HA . 6912 1 1009 . 1 1 84 84 VAL HB H 1 2.17 0.02 . 1 . . . . 84 VAL HB . 6912 1 1010 . 1 1 84 84 VAL HG11 H 1 0.51 0.02 . 2 . . . . 84 VAL HG11 . 6912 1 1011 . 1 1 84 84 VAL HG12 H 1 0.51 0.02 . 2 . . . . 84 VAL HG11 . 6912 1 1012 . 1 1 84 84 VAL HG13 H 1 0.51 0.02 . 2 . . . . 84 VAL HG11 . 6912 1 1013 . 1 1 84 84 VAL HG21 H 1 0.94 0.02 . 2 . . . . 84 VAL HG21 . 6912 1 1014 . 1 1 84 84 VAL HG22 H 1 0.94 0.02 . 2 . . . . 84 VAL HG21 . 6912 1 1015 . 1 1 84 84 VAL HG23 H 1 0.94 0.02 . 2 . . . . 84 VAL HG21 . 6912 1 1016 . 1 1 84 84 VAL C C 13 173.5 0.2 . 1 . . . . 84 VAL C . 6912 1 1017 . 1 1 84 84 VAL CA C 13 58.9 0.2 . 1 . . . . 84 VAL CA . 6912 1 1018 . 1 1 84 84 VAL CB C 13 31.3 0.2 . 1 . . . . 84 VAL CB . 6912 1 1019 . 1 1 84 84 VAL CG1 C 13 19.3 0.2 . 1 . . . . 84 VAL CG1 . 6912 1 1020 . 1 1 84 84 VAL CG2 C 13 16.5 0.2 . 1 . . . . 84 VAL CG2 . 6912 1 1021 . 1 1 84 84 VAL N N 15 121.9 0.2 . 1 . . . . 84 VAL N . 6912 1 1022 . 1 1 85 85 ALA H H 1 7.68 0.02 . 1 . . . . 85 ALA HN . 6912 1 1023 . 1 1 85 85 ALA HA H 1 4.48 0.02 . 1 . . . . 85 ALA HA . 6912 1 1024 . 1 1 85 85 ALA HB1 H 1 1.34 0.02 . 1 . . . . 85 ALA HB1 . 6912 1 1025 . 1 1 85 85 ALA HB2 H 1 1.34 0.02 . 1 . . . . 85 ALA HB1 . 6912 1 1026 . 1 1 85 85 ALA HB3 H 1 1.34 0.02 . 1 . . . . 85 ALA HB1 . 6912 1 1027 . 1 1 85 85 ALA C C 13 171.9 0.2 . 1 . . . . 85 ALA C . 6912 1 1028 . 1 1 85 85 ALA CA C 13 50.5 0.2 . 1 . . . . 85 ALA CA . 6912 1 1029 . 1 1 85 85 ALA CB C 13 19.3 0.2 . 1 . . . . 85 ALA CB . 6912 1 1030 . 1 1 85 85 ALA N N 15 121.1 0.2 . 1 . . . . 85 ALA N . 6912 1 1031 . 1 1 86 86 LYS H H 1 8.07 0.02 . 1 . . . . 86 LYS HN . 6912 1 1032 . 1 1 86 86 LYS HA H 1 5.02 0.02 . 1 . . . . 86 LYS HA . 6912 1 1033 . 1 1 86 86 LYS HB2 H 1 1.63 0.02 . 2 . . . . 86 LYS HB1 . 6912 1 1034 . 1 1 86 86 LYS HB3 H 1 1.74 0.02 . 2 . . . . 86 LYS HB2 . 6912 1 1035 . 1 1 86 86 LYS HG2 H 1 1.05 0.02 . 1 . . . . 86 LYS HG1 . 6912 1 1036 . 1 1 86 86 LYS HG3 H 1 1.05 0.02 . 1 . . . . 86 LYS HG2 . 6912 1 1037 . 1 1 86 86 LYS C C 13 170.1 0.2 . 1 . . . . 86 LYS C . 6912 1 1038 . 1 1 86 86 LYS CA C 13 53.2 0.2 . 1 . . . . 86 LYS CA . 6912 1 1039 . 1 1 86 86 LYS CB C 13 33.5 0.2 . 1 . . . . 86 LYS CB . 6912 1 1040 . 1 1 86 86 LYS CG C 13 22.2 0.2 . 1 . . . . 86 LYS CG . 6912 1 1041 . 1 1 86 86 LYS N N 15 119.3 0.2 . 1 . . . . 86 LYS N . 6912 1 1042 . 1 1 87 87 VAL H H 1 9.33 0.02 . 1 . . . . 87 VAL HN . 6912 1 1043 . 1 1 87 87 VAL HA H 1 4.31 0.02 . 1 . . . . 87 VAL HA . 6912 1 1044 . 1 1 87 87 VAL HB H 1 1.98 0.02 . 1 . . . . 87 VAL HB . 6912 1 1045 . 1 1 87 87 VAL HG11 H 1 0.93 0.02 . 2 . . . . 87 VAL HG11 . 6912 1 1046 . 1 1 87 87 VAL HG12 H 1 0.93 0.02 . 2 . . . . 87 VAL HG11 . 6912 1 1047 . 1 1 87 87 VAL HG13 H 1 0.93 0.02 . 2 . . . . 87 VAL HG11 . 6912 1 1048 . 1 1 87 87 VAL HG21 H 1 0.73 0.02 . 2 . . . . 87 VAL HG21 . 6912 1 1049 . 1 1 87 87 VAL HG22 H 1 0.73 0.02 . 2 . . . . 87 VAL HG21 . 6912 1 1050 . 1 1 87 87 VAL HG23 H 1 0.73 0.02 . 2 . . . . 87 VAL HG21 . 6912 1 1051 . 1 1 87 87 VAL C C 13 171.3 0.2 . 1 . . . . 87 VAL C . 6912 1 1052 . 1 1 87 87 VAL CA C 13 59.5 0.2 . 1 . . . . 87 VAL CA . 6912 1 1053 . 1 1 87 87 VAL CB C 13 32.4 0.2 . 1 . . . . 87 VAL CB . 6912 1 1054 . 1 1 87 87 VAL CG1 C 13 19.7 0.2 . 1 . . . . 87 VAL CG1 . 6912 1 1055 . 1 1 87 87 VAL CG2 C 13 18.3 0.2 . 1 . . . . 87 VAL CG2 . 6912 1 1056 . 1 1 87 87 VAL N N 15 126.6 0.2 . 1 . . . . 87 VAL N . 6912 1 1057 . 1 1 88 88 VAL H H 1 8.88 0.02 . 1 . . . . 88 VAL HN . 6912 1 1058 . 1 1 88 88 VAL HA H 1 4.62 0.02 . 1 . . . . 88 VAL HA . 6912 1 1059 . 1 1 88 88 VAL HB H 1 1.97 0.02 . 1 . . . . 88 VAL HB . 6912 1 1060 . 1 1 88 88 VAL HG11 H 1 0.97 0.02 . 2 . . . . 88 VAL HG11 . 6912 1 1061 . 1 1 88 88 VAL HG12 H 1 0.97 0.02 . 2 . . . . 88 VAL HG11 . 6912 1 1062 . 1 1 88 88 VAL HG13 H 1 0.97 0.02 . 2 . . . . 88 VAL HG11 . 6912 1 1063 . 1 1 88 88 VAL HG21 H 1 0.88 0.02 . 2 . . . . 88 VAL HG21 . 6912 1 1064 . 1 1 88 88 VAL HG22 H 1 0.88 0.02 . 2 . . . . 88 VAL HG21 . 6912 1 1065 . 1 1 88 88 VAL HG23 H 1 0.88 0.02 . 2 . . . . 88 VAL HG21 . 6912 1 1066 . 1 1 88 88 VAL C C 13 170.7 0.2 . 1 . . . . 88 VAL C . 6912 1 1067 . 1 1 88 88 VAL CA C 13 59.6 0.2 . 1 . . . . 88 VAL CA . 6912 1 1068 . 1 1 88 88 VAL CB C 13 31.3 0.2 . 1 . . . . 88 VAL CB . 6912 1 1069 . 1 1 88 88 VAL CG1 C 13 18.6 0.2 . 1 . . . . 88 VAL CG1 . 6912 1 1070 . 1 1 88 88 VAL CG2 C 13 19.1 0.2 . 1 . . . . 88 VAL CG2 . 6912 1 1071 . 1 1 88 88 VAL N N 15 128.9 0.2 . 1 . . . . 88 VAL N . 6912 1 1072 . 1 1 89 89 GLY H H 1 8.56 0.02 . 1 . . . . 89 GLY HN . 6912 1 1073 . 1 1 89 89 GLY HA2 H 1 3.66 0.02 . 1 . . . . 89 GLY HA1 . 6912 1 1074 . 1 1 89 89 GLY HA3 H 1 3.66 0.02 . 1 . . . . 89 GLY HA2 . 6912 1 1075 . 1 1 89 89 GLY C C 13 172.7 0.2 . 1 . . . . 89 GLY C . 6912 1 1076 . 1 1 89 89 GLY CA C 13 41.4 0.2 . 1 . . . . 89 GLY CA . 6912 1 1077 . 1 1 89 89 GLY N N 15 114.8 0.2 . 1 . . . . 89 GLY N . 6912 1 1078 . 1 1 90 90 ALA H H 1 8.57 0.02 . 1 . . . . 90 ALA HN . 6912 1 1079 . 1 1 90 90 ALA HA H 1 4.22 0.02 . 1 . . . . 90 ALA HA . 6912 1 1080 . 1 1 90 90 ALA HB1 H 1 1.30 0.02 . 1 . . . . 90 ALA HB1 . 6912 1 1081 . 1 1 90 90 ALA HB2 H 1 1.30 0.02 . 1 . . . . 90 ALA HB1 . 6912 1 1082 . 1 1 90 90 ALA HB3 H 1 1.30 0.02 . 1 . . . . 90 ALA HB1 . 6912 1 1083 . 1 1 90 90 ALA C C 13 169.3 0.2 . 1 . . . . 90 ALA C . 6912 1 1084 . 1 1 90 90 ALA CA C 13 48.4 0.2 . 1 . . . . 90 ALA CA . 6912 1 1085 . 1 1 90 90 ALA CB C 13 15.7 0.2 . 1 . . . . 90 ALA CB . 6912 1 1086 . 1 1 90 90 ALA N N 15 121.3 0.2 . 1 . . . . 90 ALA N . 6912 1 1087 . 1 1 91 91 ASN H H 1 7.54 0.02 . 1 . . . . 91 ASN HN . 6912 1 1088 . 1 1 91 91 ASN HA H 1 5.17 0.02 . 1 . . . . 91 ASN HA . 6912 1 1089 . 1 1 91 91 ASN HB2 H 1 2.93 0.02 . 2 . . . . 91 ASN HB1 . 6912 1 1090 . 1 1 91 91 ASN HB3 H 1 2.66 0.02 . 2 . . . . 91 ASN HB2 . 6912 1 1091 . 1 1 91 91 ASN HD21 H 1 7.73 0.02 . 2 . . . . 91 ASN HD21 . 6912 1 1092 . 1 1 91 91 ASN HD22 H 1 7.09 0.02 . 2 . . . . 91 ASN HD22 . 6912 1 1093 . 1 1 91 91 ASN C C 13 171.3 0.2 . 1 . . . . 91 ASN C . 6912 1 1094 . 1 1 91 91 ASN CA C 13 48.0 0.2 . 1 . . . . 91 ASN CA . 6912 1 1095 . 1 1 91 91 ASN CB C 13 36.8 0.2 . 1 . . . . 91 ASN CB . 6912 1 1096 . 1 1 91 91 ASN N N 15 120.1 0.2 . 1 . . . . 91 ASN N . 6912 1 1097 . 1 1 91 91 ASN ND2 N 15 112.5 0.2 . 1 . . . . 91 ASN ND2 . 6912 1 1098 . 1 1 92 92 PRO HA H 1 4.18 0.02 . 1 . . . . 92 PRO HA . 6912 1 1099 . 1 1 92 92 PRO HB2 H 1 2.43 0.02 . 2 . . . . 92 PRO HB1 . 6912 1 1100 . 1 1 92 92 PRO HB3 H 1 2.26 0.02 . 2 . . . . 92 PRO HB2 . 6912 1 1101 . 1 1 92 92 PRO HG2 H 1 1.95 0.02 . 2 . . . . 92 PRO HG1 . 6912 1 1102 . 1 1 92 92 PRO HG3 H 1 2.31 0.02 . 2 . . . . 92 PRO HG2 . 6912 1 1103 . 1 1 92 92 PRO HD2 H 1 3.83 0.02 . 2 . . . . 92 PRO HD1 . 6912 1 1104 . 1 1 92 92 PRO HD3 H 1 4.05 0.02 . 2 . . . . 92 PRO HD2 . 6912 1 1105 . 1 1 92 92 PRO CA C 13 63.0 0.2 . 1 . . . . 92 PRO CA . 6912 1 1106 . 1 1 92 92 PRO CD C 13 48.8 0.2 . 1 . . . . 92 PRO CD . 6912 1 1107 . 1 1 93 93 ALA HB1 H 1 1.51 0.02 . 1 . . . . 93 ALA HB1 . 6912 1 1108 . 1 1 93 93 ALA HB2 H 1 1.51 0.02 . 1 . . . . 93 ALA HB1 . 6912 1 1109 . 1 1 93 93 ALA HB3 H 1 1.51 0.02 . 1 . . . . 93 ALA HB1 . 6912 1 1110 . 1 1 93 93 ALA CA C 13 53.2 0.2 . 1 . . . . 93 ALA CA . 6912 1 1111 . 1 1 93 93 ALA CB C 13 15.8 0.2 . 1 . . . . 93 ALA CB . 6912 1 1112 . 1 1 94 94 ALA H H 1 7.33 0.02 . 1 . . . . 94 ALA HN . 6912 1 1113 . 1 1 94 94 ALA HA H 1 4.13 0.02 . 1 . . . . 94 ALA HA . 6912 1 1114 . 1 1 94 94 ALA HB1 H 1 1.44 0.02 . 1 . . . . 94 ALA HB1 . 6912 1 1115 . 1 1 94 94 ALA HB2 H 1 1.44 0.02 . 1 . . . . 94 ALA HB1 . 6912 1 1116 . 1 1 94 94 ALA HB3 H 1 1.44 0.02 . 1 . . . . 94 ALA HB1 . 6912 1 1117 . 1 1 94 94 ALA C C 13 176.5 0.2 . 1 . . . . 94 ALA C . 6912 1 1118 . 1 1 94 94 ALA CA C 13 52.0 0.2 . 1 . . . . 94 ALA CA . 6912 1 1119 . 1 1 94 94 ALA CB C 13 16.7 0.2 . 1 . . . . 94 ALA CB . 6912 1 1120 . 1 1 94 94 ALA N N 15 120.3 0.2 . 1 . . . . 94 ALA N . 6912 1 1121 . 1 1 95 95 ILE H H 1 7.87 0.02 . 1 . . . . 95 ILE HN . 6912 1 1122 . 1 1 95 95 ILE HA H 1 3.44 0.02 . 1 . . . . 95 ILE HA . 6912 1 1123 . 1 1 95 95 ILE HB H 1 1.93 0.02 . 1 . . . . 95 ILE HB . 6912 1 1124 . 1 1 95 95 ILE HG12 H 1 0.89 0.02 . 1 . . . . 95 ILE HG11 . 6912 1 1125 . 1 1 95 95 ILE HG13 H 1 0.89 0.02 . 1 . . . . 95 ILE HG12 . 6912 1 1126 . 1 1 95 95 ILE HG21 H 1 0.80 0.02 . 1 . . . . 95 ILE HG21 . 6912 1 1127 . 1 1 95 95 ILE HG22 H 1 0.80 0.02 . 1 . . . . 95 ILE HG21 . 6912 1 1128 . 1 1 95 95 ILE HG23 H 1 0.80 0.02 . 1 . . . . 95 ILE HG21 . 6912 1 1129 . 1 1 95 95 ILE HD11 H 1 0.72 0.02 . 1 . . . . 95 ILE HD11 . 6912 1 1130 . 1 1 95 95 ILE HD12 H 1 0.72 0.02 . 1 . . . . 95 ILE HD11 . 6912 1 1131 . 1 1 95 95 ILE HD13 H 1 0.72 0.02 . 1 . . . . 95 ILE HD11 . 6912 1 1132 . 1 1 95 95 ILE C C 13 176.2 0.2 . 1 . . . . 95 ILE C . 6912 1 1133 . 1 1 95 95 ILE CA C 13 63.9 0.2 . 1 . . . . 95 ILE CA . 6912 1 1134 . 1 1 95 95 ILE CB C 13 35.7 0.2 . 1 . . . . 95 ILE CB . 6912 1 1135 . 1 1 95 95 ILE CG1 C 13 26.9 0.2 . 1 . . . . 95 ILE CG1 . 6912 1 1136 . 1 1 95 95 ILE CG2 C 13 15.6 0.2 . 1 . . . . 95 ILE CG2 . 6912 1 1137 . 1 1 95 95 ILE CD1 C 13 17.1 0.2 . 1 . . . . 95 ILE CD1 . 6912 1 1138 . 1 1 95 95 ILE N N 15 119.3 0.2 . 1 . . . . 95 ILE N . 6912 1 1139 . 1 1 96 96 LYS H H 1 8.12 0.02 . 1 . . . . 96 LYS HN . 6912 1 1140 . 1 1 96 96 LYS HA H 1 3.23 0.02 . 1 . . . . 96 LYS HA . 6912 1 1141 . 1 1 96 96 LYS HB2 H 1 1.81 0.02 . 1 . . . . 96 LYS HB1 . 6912 1 1142 . 1 1 96 96 LYS HB3 H 1 1.81 0.02 . 1 . . . . 96 LYS HB2 . 6912 1 1143 . 1 1 96 96 LYS HG2 H 1 1.32 0.02 . 1 . . . . 96 LYS HG1 . 6912 1 1144 . 1 1 96 96 LYS HG3 H 1 1.32 0.02 . 1 . . . . 96 LYS HG2 . 6912 1 1145 . 1 1 96 96 LYS HD2 H 1 1.69 0.02 . 1 . . . . 96 LYS HD1 . 6912 1 1146 . 1 1 96 96 LYS HD3 H 1 1.69 0.02 . 1 . . . . 96 LYS HD2 . 6912 1 1147 . 1 1 96 96 LYS C C 13 172.5 0.2 . 1 . . . . 96 LYS C . 6912 1 1148 . 1 1 96 96 LYS CA C 13 57.8 0.2 . 1 . . . . 96 LYS CA . 6912 1 1149 . 1 1 96 96 LYS CB C 13 30.2 0.2 . 1 . . . . 96 LYS CB . 6912 1 1150 . 1 1 96 96 LYS CG C 13 22.6 0.2 . 1 . . . . 96 LYS CG . 6912 1 1151 . 1 1 96 96 LYS N N 15 118.5 0.2 . 1 . . . . 96 LYS N . 6912 1 1152 . 1 1 97 97 GLN H H 1 7.77 0.02 . 1 . . . . 97 GLN HN . 6912 1 1153 . 1 1 97 97 GLN HA H 1 3.94 0.02 . 1 . . . . 97 GLN HA . 6912 1 1154 . 1 1 97 97 GLN HB2 H 1 2.09 0.02 . 2 . . . . 97 GLN HB1 . 6912 1 1155 . 1 1 97 97 GLN HB3 H 1 2.08 0.02 . 2 . . . . 97 GLN HB2 . 6912 1 1156 . 1 1 97 97 GLN HG2 H 1 2.45 0.02 . 2 . . . . 97 GLN HG1 . 6912 1 1157 . 1 1 97 97 GLN HG3 H 1 2.38 0.02 . 2 . . . . 97 GLN HG2 . 6912 1 1158 . 1 1 97 97 GLN HE21 H 1 6.82 0.02 . 2 . . . . 97 GLN HE21 . 6912 1 1159 . 1 1 97 97 GLN HE22 H 1 7.41 0.02 . 2 . . . . 97 GLN HE22 . 6912 1 1160 . 1 1 97 97 GLN C C 13 174.1 0.2 . 1 . . . . 97 GLN C . 6912 1 1161 . 1 1 97 97 GLN CA C 13 56.4 0.2 . 1 . . . . 97 GLN CA . 6912 1 1162 . 1 1 97 97 GLN CB C 13 25.9 0.2 . 1 . . . . 97 GLN CB . 6912 1 1163 . 1 1 97 97 GLN CG C 13 30.2 0.2 . 1 . . . . 97 GLN CG . 6912 1 1164 . 1 1 97 97 GLN N N 15 115.2 0.2 . 1 . . . . 97 GLN N . 6912 1 1165 . 1 1 97 97 GLN NE2 N 15 111.0 0.2 . 1 . . . . 97 GLN NE2 . 6912 1 1166 . 1 1 98 98 ALA H H 1 7.58 0.02 . 1 . . . . 98 ALA HN . 6912 1 1167 . 1 1 98 98 ALA HA H 1 4.00 0.02 . 1 . . . . 98 ALA HA . 6912 1 1168 . 1 1 98 98 ALA HB1 H 1 1.23 0.02 . 1 . . . . 98 ALA HB1 . 6912 1 1169 . 1 1 98 98 ALA HB2 H 1 1.23 0.02 . 1 . . . . 98 ALA HB1 . 6912 1 1170 . 1 1 98 98 ALA HB3 H 1 1.23 0.02 . 1 . . . . 98 ALA HB1 . 6912 1 1171 . 1 1 98 98 ALA C C 13 174.3 0.2 . 1 . . . . 98 ALA C . 6912 1 1172 . 1 1 98 98 ALA CA C 13 52.6 0.2 . 1 . . . . 98 ALA CA . 6912 1 1173 . 1 1 98 98 ALA CB C 13 16.0 0.2 . 1 . . . . 98 ALA CB . 6912 1 1174 . 1 1 98 98 ALA N N 15 120.7 0.2 . 1 . . . . 98 ALA N . 6912 1 1175 . 1 1 99 99 ILE H H 1 7.81 0.02 . 1 . . . . 99 ILE HN . 6912 1 1176 . 1 1 99 99 ILE HA H 1 3.12 0.02 . 1 . . . . 99 ILE HA . 6912 1 1177 . 1 1 99 99 ILE HB H 1 1.18 0.02 . 1 . . . . 99 ILE HB . 6912 1 1178 . 1 1 99 99 ILE HG12 H 1 1.72 0.02 . 1 . . . . 99 ILE HG11 . 6912 1 1179 . 1 1 99 99 ILE HG13 H 1 0.47 0.02 . 1 . . . . 99 ILE HG12 . 6912 1 1180 . 1 1 99 99 ILE HG21 H 1 0.60 0.02 . 1 . . . . 99 ILE HG21 . 6912 1 1181 . 1 1 99 99 ILE HG22 H 1 0.60 0.02 . 1 . . . . 99 ILE HG21 . 6912 1 1182 . 1 1 99 99 ILE HG23 H 1 0.60 0.02 . 1 . . . . 99 ILE HG21 . 6912 1 1183 . 1 1 99 99 ILE HD11 H 1 -0.07 0.02 . 1 . . . . 99 ILE HD11 . 6912 1 1184 . 1 1 99 99 ILE HD12 H 1 -0.07 0.02 . 1 . . . . 99 ILE HD11 . 6912 1 1185 . 1 1 99 99 ILE HD13 H 1 -0.07 0.02 . 1 . . . . 99 ILE HD11 . 6912 1 1186 . 1 1 99 99 ILE CA C 13 63.3 0.2 . 1 . . . . 99 ILE CA . 6912 1 1187 . 1 1 99 99 ILE CB C 13 35.7 0.2 . 1 . . . . 99 ILE CB . 6912 1 1188 . 1 1 99 99 ILE CG1 C 13 26.7 0.2 . 1 . . . . 99 ILE CG1 . 6912 1 1189 . 1 1 99 99 ILE CG2 C 13 12.7 0.2 . 1 . . . . 99 ILE CG2 . 6912 1 1190 . 1 1 99 99 ILE CD1 C 13 13.5 0.2 . 1 . . . . 99 ILE CD1 . 6912 1 1191 . 1 1 99 99 ILE N N 15 117.6 0.2 . 1 . . . . 99 ILE N . 6912 1 1192 . 1 1 100 100 ALA H H 1 8.24 0.02 . 1 . . . . 100 ALA HN . 6912 1 1193 . 1 1 100 100 ALA HA H 1 3.79 0.02 . 1 . . . . 100 ALA HA . 6912 1 1194 . 1 1 100 100 ALA HB1 H 1 1.41 0.02 . 1 . . . . 100 ALA HB1 . 6912 1 1195 . 1 1 100 100 ALA HB2 H 1 1.41 0.02 . 1 . . . . 100 ALA HB1 . 6912 1 1196 . 1 1 100 100 ALA HB3 H 1 1.41 0.02 . 1 . . . . 100 ALA HB1 . 6912 1 1197 . 1 1 100 100 ALA C C 13 173.3 0.2 . 1 . . . . 100 ALA C . 6912 1 1198 . 1 1 100 100 ALA CA C 13 52.9 0.2 . 1 . . . . 100 ALA CA . 6912 1 1199 . 1 1 100 100 ALA CB C 13 16.0 0.2 . 1 . . . . 100 ALA CB . 6912 1 1200 . 1 1 100 100 ALA N N 15 119.3 0.2 . 1 . . . . 100 ALA N . 6912 1 1201 . 1 1 101 101 ALA H H 1 7.72 0.02 . 1 . . . . 101 ALA HN . 6912 1 1202 . 1 1 101 101 ALA HA H 1 4.17 0.02 . 1 . . . . 101 ALA HA . 6912 1 1203 . 1 1 101 101 ALA HB1 H 1 1.40 0.02 . 1 . . . . 101 ALA HB1 . 6912 1 1204 . 1 1 101 101 ALA HB2 H 1 1.40 0.02 . 1 . . . . 101 ALA HB1 . 6912 1 1205 . 1 1 101 101 ALA HB3 H 1 1.40 0.02 . 1 . . . . 101 ALA HB1 . 6912 1 1206 . 1 1 101 101 ALA C C 13 176.8 0.2 . 1 . . . . 101 ALA C . 6912 1 1207 . 1 1 101 101 ALA CA C 13 51.4 0.2 . 1 . . . . 101 ALA CA . 6912 1 1208 . 1 1 101 101 ALA CB C 13 17.1 0.2 . 1 . . . . 101 ALA CB . 6912 1 1209 . 1 1 101 101 ALA N N 15 115.3 0.2 . 1 . . . . 101 ALA N . 6912 1 1210 . 1 1 102 102 ASN H H 1 7.20 0.02 . 1 . . . . 102 ASN HN . 6912 1 1211 . 1 1 102 102 ASN HA H 1 4.85 0.02 . 1 . . . . 102 ASN HA . 6912 1 1212 . 1 1 102 102 ASN HB2 H 1 2.59 0.02 . 2 . . . . 102 ASN HB1 . 6912 1 1213 . 1 1 102 102 ASN HB3 H 1 2.25 0.02 . 2 . . . . 102 ASN HB2 . 6912 1 1214 . 1 1 102 102 ASN HD21 H 1 8.22 0.02 . 2 . . . . 102 ASN HD21 . 6912 1 1215 . 1 1 102 102 ASN HD22 H 1 7.19 0.02 . 2 . . . . 102 ASN HD22 . 6912 1 1216 . 1 1 102 102 ASN C C 13 174.6 0.2 . 1 . . . . 102 ASN C . 6912 1 1217 . 1 1 102 102 ASN CA C 13 51.7 0.2 . 1 . . . . 102 ASN CA . 6912 1 1218 . 1 1 102 102 ASN CB C 13 41.2 0.2 . 1 . . . . 102 ASN CB . 6912 1 1219 . 1 1 102 102 ASN N N 15 113.0 0.2 . 1 . . . . 102 ASN N . 6912 1 1220 . 1 1 102 102 ASN ND2 N 15 115.7 0.2 . 1 . . . . 102 ASN ND2 . 6912 1 1221 . 1 1 103 103 ALA H H 1 7.59 0.02 . 1 . . . . 103 ALA HN . 6912 1 1222 . 1 1 103 103 ALA HA H 1 4.00 0.02 . 1 . . . . 103 ALA HA . 6912 1 1223 . 1 1 103 103 ALA HB1 H 1 1.24 0.02 . 1 . . . . 103 ALA HB1 . 6912 1 1224 . 1 1 103 103 ALA HB2 H 1 1.24 0.02 . 1 . . . . 103 ALA HB1 . 6912 1 1225 . 1 1 103 103 ALA HB3 H 1 1.24 0.02 . 1 . . . . 103 ALA HB1 . 6912 1 1226 . 1 1 103 103 ALA C C 13 169.1 0.2 . 1 . . . . 103 ALA C . 6912 1 1227 . 1 1 103 103 ALA CA C 13 52.6 0.2 . 1 . . . . 103 ALA CA . 6912 1 1228 . 1 1 103 103 ALA CB C 13 16.0 0.2 . 1 . . . . 103 ALA CB . 6912 1 stop_ save_