data_5976 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5976 _Entry.Title ; 1H-, 13C- and 15N-NMR assignment of the conserved hypothetical protein TM0487 from Thermotoga maritima ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-10-16 _Entry.Accession_date 2003-10-17 _Entry.Last_release_date 2004-07-06 _Entry.Original_release_date 2004-07-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marcius Almeida . S. . 5976 2 Wolfgang Peti . . . 5976 3 Kurt Wuthrich . . . 5976 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5976 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 712 5976 '13C chemical shifts' 463 5976 '15N chemical shifts' 106 5976 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-07-06 2003-10-16 original author . 5976 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5976 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213465 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H-, 13C- and 15N-NMR assignment of the conserved hypothetical protein TM0487 from Thermotoga maritima ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 453 _Citation.Page_last 454 _Citation.Year 2004 _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 Marcius Almeida . S. . 5976 1 2 Wolfgang Peti . . . 5976 1 3 Kurt Wuthrich . . . 5976 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TM0487 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TM0487 _Assembly.Entry_ID 5976 _Assembly.ID 1 _Assembly.Name 'hypothetical protein TM0487' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5976 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TM0487 monomer' 1 $TM0487 . . . native . . . . . 5976 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hypothetical protein TM0487' system 5976 1 TM0487 abbreviation 5976 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TM0487 _Entity.Sf_category entity _Entity.Sf_framecode TM0487 _Entity.Entry_ID 5976 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'hypothetical protein TM0487' _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 ; PMSKKVTKEDVLNALKNVID FELGLDVVSLGLVYDIQIDD QNNVKVLMTMTTPMCPLAGM ILSDAEEAIKKIEGVNNVEV ELTFDPPWTPERMSPELREK FGV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1UWD . "Nmr Structure Of A Protein With Unknown Function From Thermotoga Maritima (tm0487), Which Belongs To The Duf59 Family." . . . . . 100.00 103 100.00 100.00 1.63e-66 . . . . 5976 1 2 no PDB 1WCJ . "Conserved Hypothetical Protein Tm0487 From Thermotoga Maritima" . . . . . 100.00 103 100.00 100.00 1.63e-66 . . . . 5976 1 3 no GB AAD35572 . "conserved hypothetical protein [Thermotoga maritima MSB8]" . . . . . 100.00 104 100.00 100.00 1.70e-66 . . . . 5976 1 4 no GB ABQ46457 . "protein of unknown function DUF59 [Thermotoga petrophila RKU-1]" . . . . . 99.03 102 99.02 100.00 2.82e-65 . . . . 5976 1 5 no GB ACB08804 . "protein of unknown function DUF59 [Thermotoga sp. RQ2]" . . . . . 99.03 102 99.02 100.00 2.82e-65 . . . . 5976 1 6 no GB ACM22360 . "Putative uncharacterized protein [Thermotoga neapolitana DSM 4359]" . . . . . 99.03 114 97.06 98.04 2.62e-63 . . . . 5976 1 7 no GB ADA66373 . "protein of unknown function DUF59 [Thermotoga naphthophila RKU-10]" . . . . . 99.03 102 97.06 98.04 2.00e-63 . . . . 5976 1 8 no REF NP_228297 . "hypothetical protein TM0487 [Thermotoga maritima MSB8]" . . . . . 100.00 104 100.00 100.00 1.70e-66 . . . . 5976 1 9 no REF WP_004081479 . "MULTISPECIES: protein of unknown function DUF59 [Thermotoga]" . . . . . 99.03 102 100.00 100.00 1.37e-65 . . . . 5976 1 10 no REF WP_010865131 . "hypothetical protein [Thermotoga maritima]" . . . . . 100.00 104 100.00 100.00 1.70e-66 . . . . 5976 1 11 no REF WP_011943076 . "MULTISPECIES: hypothetical protein [Thermotoga]" . . . . . 99.03 102 99.02 100.00 2.82e-65 . . . . 5976 1 12 no REF WP_012645070 . "hypothetical protein [Thermotoga neapolitana]" . . . . . 99.03 114 97.06 98.04 2.62e-63 . . . . 5976 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'hypothetical protein TM0487' common 5976 1 TM0487 abbreviation 5976 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 . PRO . 5976 1 2 . MET . 5976 1 3 . SER . 5976 1 4 . LYS . 5976 1 5 . LYS . 5976 1 6 . VAL . 5976 1 7 . THR . 5976 1 8 . LYS . 5976 1 9 . GLU . 5976 1 10 . ASP . 5976 1 11 . VAL . 5976 1 12 . LEU . 5976 1 13 . ASN . 5976 1 14 . ALA . 5976 1 15 . LEU . 5976 1 16 . LYS . 5976 1 17 . ASN . 5976 1 18 . VAL . 5976 1 19 . ILE . 5976 1 20 . ASP . 5976 1 21 . PHE . 5976 1 22 . GLU . 5976 1 23 . LEU . 5976 1 24 . GLY . 5976 1 25 . LEU . 5976 1 26 . ASP . 5976 1 27 . VAL . 5976 1 28 . VAL . 5976 1 29 . SER . 5976 1 30 . LEU . 5976 1 31 . GLY . 5976 1 32 . LEU . 5976 1 33 . VAL . 5976 1 34 . TYR . 5976 1 35 . ASP . 5976 1 36 . ILE . 5976 1 37 . GLN . 5976 1 38 . ILE . 5976 1 39 . ASP . 5976 1 40 . ASP . 5976 1 41 . GLN . 5976 1 42 . ASN . 5976 1 43 . ASN . 5976 1 44 . VAL . 5976 1 45 . LYS . 5976 1 46 . VAL . 5976 1 47 . LEU . 5976 1 48 . MET . 5976 1 49 . THR . 5976 1 50 . MET . 5976 1 51 . THR . 5976 1 52 . THR . 5976 1 53 . PRO . 5976 1 54 . MET . 5976 1 55 . CYS . 5976 1 56 . PRO . 5976 1 57 . LEU . 5976 1 58 . ALA . 5976 1 59 . GLY . 5976 1 60 . MET . 5976 1 61 . ILE . 5976 1 62 . LEU . 5976 1 63 . SER . 5976 1 64 . ASP . 5976 1 65 . ALA . 5976 1 66 . GLU . 5976 1 67 . GLU . 5976 1 68 . ALA . 5976 1 69 . ILE . 5976 1 70 . LYS . 5976 1 71 . LYS . 5976 1 72 . ILE . 5976 1 73 . GLU . 5976 1 74 . GLY . 5976 1 75 . VAL . 5976 1 76 . ASN . 5976 1 77 . ASN . 5976 1 78 . VAL . 5976 1 79 . GLU . 5976 1 80 . VAL . 5976 1 81 . GLU . 5976 1 82 . LEU . 5976 1 83 . THR . 5976 1 84 . PHE . 5976 1 85 . ASP . 5976 1 86 . PRO . 5976 1 87 . PRO . 5976 1 88 . TRP . 5976 1 89 . THR . 5976 1 90 . PRO . 5976 1 91 . GLU . 5976 1 92 . ARG . 5976 1 93 . MET . 5976 1 94 . SER . 5976 1 95 . PRO . 5976 1 96 . GLU . 5976 1 97 . LEU . 5976 1 98 . ARG . 5976 1 99 . GLU . 5976 1 100 . LYS . 5976 1 101 . PHE . 5976 1 102 . GLY . 5976 1 103 . VAL . 5976 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 . PRO 1 1 5976 1 . MET 2 2 5976 1 . SER 3 3 5976 1 . LYS 4 4 5976 1 . LYS 5 5 5976 1 . VAL 6 6 5976 1 . THR 7 7 5976 1 . LYS 8 8 5976 1 . GLU 9 9 5976 1 . ASP 10 10 5976 1 . VAL 11 11 5976 1 . LEU 12 12 5976 1 . ASN 13 13 5976 1 . ALA 14 14 5976 1 . LEU 15 15 5976 1 . LYS 16 16 5976 1 . ASN 17 17 5976 1 . VAL 18 18 5976 1 . ILE 19 19 5976 1 . ASP 20 20 5976 1 . PHE 21 21 5976 1 . GLU 22 22 5976 1 . LEU 23 23 5976 1 . GLY 24 24 5976 1 . LEU 25 25 5976 1 . ASP 26 26 5976 1 . VAL 27 27 5976 1 . VAL 28 28 5976 1 . SER 29 29 5976 1 . LEU 30 30 5976 1 . GLY 31 31 5976 1 . LEU 32 32 5976 1 . VAL 33 33 5976 1 . TYR 34 34 5976 1 . ASP 35 35 5976 1 . ILE 36 36 5976 1 . GLN 37 37 5976 1 . ILE 38 38 5976 1 . ASP 39 39 5976 1 . ASP 40 40 5976 1 . GLN 41 41 5976 1 . ASN 42 42 5976 1 . ASN 43 43 5976 1 . VAL 44 44 5976 1 . LYS 45 45 5976 1 . VAL 46 46 5976 1 . LEU 47 47 5976 1 . MET 48 48 5976 1 . THR 49 49 5976 1 . MET 50 50 5976 1 . THR 51 51 5976 1 . THR 52 52 5976 1 . PRO 53 53 5976 1 . MET 54 54 5976 1 . CYS 55 55 5976 1 . PRO 56 56 5976 1 . LEU 57 57 5976 1 . ALA 58 58 5976 1 . GLY 59 59 5976 1 . MET 60 60 5976 1 . ILE 61 61 5976 1 . LEU 62 62 5976 1 . SER 63 63 5976 1 . ASP 64 64 5976 1 . ALA 65 65 5976 1 . GLU 66 66 5976 1 . GLU 67 67 5976 1 . ALA 68 68 5976 1 . ILE 69 69 5976 1 . LYS 70 70 5976 1 . LYS 71 71 5976 1 . ILE 72 72 5976 1 . GLU 73 73 5976 1 . GLY 74 74 5976 1 . VAL 75 75 5976 1 . ASN 76 76 5976 1 . ASN 77 77 5976 1 . VAL 78 78 5976 1 . GLU 79 79 5976 1 . VAL 80 80 5976 1 . GLU 81 81 5976 1 . LEU 82 82 5976 1 . THR 83 83 5976 1 . PHE 84 84 5976 1 . ASP 85 85 5976 1 . PRO 86 86 5976 1 . PRO 87 87 5976 1 . TRP 88 88 5976 1 . THR 89 89 5976 1 . PRO 90 90 5976 1 . GLU 91 91 5976 1 . ARG 92 92 5976 1 . MET 93 93 5976 1 . SER 94 94 5976 1 . PRO 95 95 5976 1 . GLU 96 96 5976 1 . LEU 97 97 5976 1 . ARG 98 98 5976 1 . GLU 99 99 5976 1 . LYS 100 100 5976 1 . PHE 101 101 5976 1 . GLY 102 102 5976 1 . VAL 103 103 5976 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 5976 _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 $TM0487 . 2336 . . 'Thermotoga maritima' 'Thermotoga maritima' . . Eubacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 5976 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 5976 _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 $TM0487 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5976 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TM0487_sample _Sample.Sf_category sample _Sample.Sf_framecode TM0487_sample _Sample.Entry_ID 5976 _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 'hypothetical protein TM0487' '[U-13C; U-15N]' . . 1 $TM0487 . . . 2.3 4.4 mM . . . . 5976 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5976 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 0.2 n/a 5976 1 temperature 313 0.2 K 5976 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5976 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5976 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5976 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 5976 1 2 NMR_spectrometer_2 Bruker Avance . 900 . . . 5976 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5976 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5976 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5976 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5976 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5976 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5976 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $TM0487_sample . 5976 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 PRO CD C 13 49.471 0.2 . 1 . . . . . . . . 5976 1 2 . 1 1 1 1 PRO CA C 13 62.164 0.2 . 1 . . . . . . . . 5976 1 3 . 1 1 1 1 PRO HA H 1 4.477 0.015 . 1 . . . . . . . . 5976 1 4 . 1 1 1 1 PRO CB C 13 32.037 0.2 . 1 . . . . . . . . 5976 1 5 . 1 1 1 1 PRO HB2 H 1 2.113 0.015 . 2 . . . . . . . . 5976 1 6 . 1 1 1 1 PRO HB3 H 1 2.524 0.015 . 2 . . . . . . . . 5976 1 7 . 1 1 1 1 PRO CG C 13 25.467 0.2 . 1 . . . . . . . . 5976 1 8 . 1 1 1 1 PRO HG2 H 1 2.112 0.015 . 2 . . . . . . . . 5976 1 9 . 1 1 1 1 PRO HD2 H 1 3.445 0.015 . 2 . . . . . . . . 5976 1 10 . 1 1 1 1 PRO HD3 H 1 3.510 0.015 . 2 . . . . . . . . 5976 1 11 . 1 1 2 2 MET CA C 13 55.775 0.2 . 1 . . . . . . . . 5976 1 12 . 1 1 2 2 MET HA H 1 4.589 0.015 . 1 . . . . . . . . 5976 1 13 . 1 1 2 2 MET CB C 13 32.356 0.2 . 1 . . . . . . . . 5976 1 14 . 1 1 2 2 MET HB2 H 1 2.075 0.015 . 2 . . . . . . . . 5976 1 15 . 1 1 2 2 MET HB3 H 1 2.179 0.015 . 2 . . . . . . . . 5976 1 16 . 1 1 2 2 MET CG C 13 32.092 0.2 . 1 . . . . . . . . 5976 1 17 . 1 1 2 2 MET HG2 H 1 2.629 0.015 . 2 . . . . . . . . 5976 1 18 . 1 1 2 2 MET C C 13 178.009 0.2 . 1 . . . . . . . . 5976 1 19 . 1 1 3 3 SER N N 15 118.118 0.1 . 1 . . . . . . . . 5976 1 20 . 1 1 3 3 SER H H 1 8.494 0.015 . 1 . . . . . . . . 5976 1 21 . 1 1 3 3 SER CA C 13 58.326 0.2 . 1 . . . . . . . . 5976 1 22 . 1 1 3 3 SER HA H 1 4.474 0.015 . 1 . . . . . . . . 5976 1 23 . 1 1 3 3 SER CB C 13 63.657 0.2 . 1 . . . . . . . . 5976 1 24 . 1 1 3 3 SER HB2 H 1 3.908 0.015 . 2 . . . . . . . . 5976 1 25 . 1 1 3 3 SER C C 13 173.903 0.2 . 1 . . . . . . . . 5976 1 26 . 1 1 4 4 LYS N N 15 122.767 0.1 . 1 . . . . . . . . 5976 1 27 . 1 1 4 4 LYS H H 1 8.119 0.015 . 1 . . . . . . . . 5976 1 28 . 1 1 4 4 LYS CA C 13 55.788 0.2 . 1 . . . . . . . . 5976 1 29 . 1 1 4 4 LYS HA H 1 4.390 0.015 . 1 . . . . . . . . 5976 1 30 . 1 1 4 4 LYS CB C 13 33.486 0.2 . 1 . . . . . . . . 5976 1 31 . 1 1 4 4 LYS HB2 H 1 1.772 0.015 . 2 . . . . . . . . 5976 1 32 . 1 1 4 4 LYS CG C 13 24.101 0.2 . 1 . . . . . . . . 5976 1 33 . 1 1 4 4 LYS HG2 H 1 1.394 0.015 . 2 . . . . . . . . 5976 1 34 . 1 1 4 4 LYS CD C 13 28.602 0.2 . 1 . . . . . . . . 5976 1 35 . 1 1 4 4 LYS HD2 H 1 1.690 0.015 . 2 . . . . . . . . 5976 1 36 . 1 1 4 4 LYS CE C 13 41.936 0.2 . 1 . . . . . . . . 5976 1 37 . 1 1 4 4 LYS HE2 H 1 3.028 0.015 . 2 . . . . . . . . 5976 1 38 . 1 1 4 4 LYS C C 13 175.451 0.2 . 1 . . . . . . . . 5976 1 39 . 1 1 5 5 LYS N N 15 125.092 0.1 . 1 . . . . . . . . 5976 1 40 . 1 1 5 5 LYS H H 1 8.461 0.015 . 1 . . . . . . . . 5976 1 41 . 1 1 5 5 LYS CA C 13 55.705 0.2 . 1 . . . . . . . . 5976 1 42 . 1 1 5 5 LYS HA H 1 4.606 0.015 . 1 . . . . . . . . 5976 1 43 . 1 1 5 5 LYS CB C 13 32.906 0.2 . 1 . . . . . . . . 5976 1 44 . 1 1 5 5 LYS HB2 H 1 1.749 0.015 . 2 . . . . . . . . 5976 1 45 . 1 1 5 5 LYS HB3 H 1 1.843 0.015 . 2 . . . . . . . . 5976 1 46 . 1 1 5 5 LYS CG C 13 24.097 0.2 . 1 . . . . . . . . 5976 1 47 . 1 1 5 5 LYS HG2 H 1 1.485 0.015 . 2 . . . . . . . . 5976 1 48 . 1 1 5 5 LYS CD C 13 27.487 0.2 . 1 . . . . . . . . 5976 1 49 . 1 1 5 5 LYS HD2 H 1 1.746 0.015 . 2 . . . . . . . . 5976 1 50 . 1 1 5 5 LYS CE C 13 41.936 0.2 . 1 . . . . . . . . 5976 1 51 . 1 1 5 5 LYS HE2 H 1 3.091 0.015 . 2 . . . . . . . . 5976 1 52 . 1 1 5 5 LYS C C 13 176.081 0.2 . 1 . . . . . . . . 5976 1 53 . 1 1 6 6 VAL N N 15 126.487 0.1 . 1 . . . . . . . . 5976 1 54 . 1 1 6 6 VAL H H 1 8.004 0.015 . 1 . . . . . . . . 5976 1 55 . 1 1 6 6 VAL CA C 13 62.618 0.2 . 1 . . . . . . . . 5976 1 56 . 1 1 6 6 VAL HA H 1 4.114 0.015 . 1 . . . . . . . . 5976 1 57 . 1 1 6 6 VAL CB C 13 32.542 0.2 . 1 . . . . . . . . 5976 1 58 . 1 1 6 6 VAL HB H 1 1.767 0.015 . 1 . . . . . . . . 5976 1 59 . 1 1 6 6 VAL HG11 H 1 0.852 0.015 . 2 . . . . . . . . 5976 1 60 . 1 1 6 6 VAL HG12 H 1 0.852 0.015 . 2 . . . . . . . . 5976 1 61 . 1 1 6 6 VAL HG13 H 1 0.852 0.015 . 2 . . . . . . . . 5976 1 62 . 1 1 6 6 VAL HG21 H 1 0.925 0.015 . 2 . . . . . . . . 5976 1 63 . 1 1 6 6 VAL HG22 H 1 0.925 0.015 . 2 . . . . . . . . 5976 1 64 . 1 1 6 6 VAL HG23 H 1 0.925 0.015 . 2 . . . . . . . . 5976 1 65 . 1 1 6 6 VAL CG1 C 13 21.543 0.2 . 2 . . . . . . . . 5976 1 66 . 1 1 6 6 VAL CG2 C 13 21.215 0.2 . 2 . . . . . . . . 5976 1 67 . 1 1 6 6 VAL C C 13 174.769 0.2 . 1 . . . . . . . . 5976 1 68 . 1 1 7 7 THR N N 15 116.259 0.1 . 1 . . . . . . . . 5976 1 69 . 1 1 7 7 THR H H 1 8.882 0.015 . 1 . . . . . . . . 5976 1 70 . 1 1 7 7 THR CA C 13 59.583 0.2 . 1 . . . . . . . . 5976 1 71 . 1 1 7 7 THR HA H 1 4.834 0.015 . 1 . . . . . . . . 5976 1 72 . 1 1 7 7 THR CB C 13 72.634 0.2 . 1 . . . . . . . . 5976 1 73 . 1 1 7 7 THR HB H 1 4.721 0.015 . 1 . . . . . . . . 5976 1 74 . 1 1 7 7 THR HG21 H 1 1.294 0.015 . 1 . . . . . . . . 5976 1 75 . 1 1 7 7 THR HG22 H 1 1.294 0.015 . 1 . . . . . . . . 5976 1 76 . 1 1 7 7 THR HG23 H 1 1.294 0.015 . 1 . . . . . . . . 5976 1 77 . 1 1 7 7 THR CG2 C 13 21.259 0.2 . 1 . . . . . . . . 5976 1 78 . 1 1 7 7 THR C C 13 175.989 0.2 . 1 . . . . . . . . 5976 1 79 . 1 1 8 8 LYS N N 15 120.908 0.1 . 1 . . . . . . . . 5976 1 80 . 1 1 8 8 LYS H H 1 8.992 0.015 . 1 . . . . . . . . 5976 1 81 . 1 1 8 8 LYS CA C 13 60.707 0.2 . 1 . . . . . . . . 5976 1 82 . 1 1 8 8 LYS HA H 1 3.764 0.015 . 1 . . . . . . . . 5976 1 83 . 1 1 8 8 LYS CB C 13 31.803 0.2 . 1 . . . . . . . . 5976 1 84 . 1 1 8 8 LYS HB2 H 1 1.933 0.015 . 2 . . . . . . . . 5976 1 85 . 1 1 8 8 LYS HB3 H 1 1.821 0.015 . 2 . . . . . . . . 5976 1 86 . 1 1 8 8 LYS CG C 13 25.792 0.2 . 1 . . . . . . . . 5976 1 87 . 1 1 8 8 LYS HG2 H 1 1.346 0.015 . 2 . . . . . . . . 5976 1 88 . 1 1 8 8 LYS HG3 H 1 1.580 0.015 . 2 . . . . . . . . 5976 1 89 . 1 1 8 8 LYS CD C 13 29.452 0.2 . 1 . . . . . . . . 5976 1 90 . 1 1 8 8 LYS HD2 H 1 1.827 0.015 . 2 . . . . . . . . 5976 1 91 . 1 1 8 8 LYS CE C 13 41.913 0.2 . 1 . . . . . . . . 5976 1 92 . 1 1 8 8 LYS HE2 H 1 3.126 0.015 . 2 . . . . . . . . 5976 1 93 . 1 1 8 8 LYS C C 13 178.035 0.2 . 1 . . . . . . . . 5976 1 94 . 1 1 9 9 GLU N N 15 117.886 0.1 . 1 . . . . . . . . 5976 1 95 . 1 1 9 9 GLU H H 1 8.485 0.015 . 1 . . . . . . . . 5976 1 96 . 1 1 9 9 GLU CA C 13 60.401 0.2 . 1 . . . . . . . . 5976 1 97 . 1 1 9 9 GLU HA H 1 3.960 0.015 . 1 . . . . . . . . 5976 1 98 . 1 1 9 9 GLU CB C 13 28.655 0.2 . 1 . . . . . . . . 5976 1 99 . 1 1 9 9 GLU HB2 H 1 1.967 0.015 . 2 . . . . . . . . 5976 1 100 . 1 1 9 9 GLU HB3 H 1 2.107 0.015 . 2 . . . . . . . . 5976 1 101 . 1 1 9 9 GLU CG C 13 36.962 0.2 . 1 . . . . . . . . 5976 1 102 . 1 1 9 9 GLU HG2 H 1 2.282 0.015 . 2 . . . . . . . . 5976 1 103 . 1 1 9 9 GLU HG3 H 1 2.467 0.015 . 2 . . . . . . . . 5976 1 104 . 1 1 9 9 GLU C C 13 178.481 0.2 . 1 . . . . . . . . 5976 1 105 . 1 1 10 10 ASP N N 15 119.513 0.1 . 1 . . . . . . . . 5976 1 106 . 1 1 10 10 ASP H H 1 7.777 0.015 . 1 . . . . . . . . 5976 1 107 . 1 1 10 10 ASP CA C 13 57.625 0.2 . 1 . . . . . . . . 5976 1 108 . 1 1 10 10 ASP HA H 1 4.436 0.015 . 1 . . . . . . . . 5976 1 109 . 1 1 10 10 ASP CB C 13 38.542 0.2 . 1 . . . . . . . . 5976 1 110 . 1 1 10 10 ASP HB2 H 1 3.223 0.015 . 2 . . . . . . . . 5976 1 111 . 1 1 10 10 ASP HB3 H 1 2.640 0.015 . 2 . . . . . . . . 5976 1 112 . 1 1 10 10 ASP C C 13 179.137 0.2 . 1 . . . . . . . . 5976 1 113 . 1 1 11 11 VAL N N 15 120.443 0.1 . 1 . . . . . . . . 5976 1 114 . 1 1 11 11 VAL H H 1 7.563 0.015 . 1 . . . . . . . . 5976 1 115 . 1 1 11 11 VAL CA C 13 66.600 0.2 . 1 . . . . . . . . 5976 1 116 . 1 1 11 11 VAL HA H 1 3.596 0.015 . 1 . . . . . . . . 5976 1 117 . 1 1 11 11 VAL CB C 13 31.169 0.2 . 1 . . . . . . . . 5976 1 118 . 1 1 11 11 VAL HB H 1 2.299 0.015 . 1 . . . . . . . . 5976 1 119 . 1 1 11 11 VAL HG11 H 1 0.900 0.015 . 2 . . . . . . . . 5976 1 120 . 1 1 11 11 VAL HG12 H 1 0.900 0.015 . 2 . . . . . . . . 5976 1 121 . 1 1 11 11 VAL HG13 H 1 0.900 0.015 . 2 . . . . . . . . 5976 1 122 . 1 1 11 11 VAL HG21 H 1 0.929 0.015 . 2 . . . . . . . . 5976 1 123 . 1 1 11 11 VAL HG22 H 1 0.929 0.015 . 2 . . . . . . . . 5976 1 124 . 1 1 11 11 VAL HG23 H 1 0.929 0.015 . 2 . . . . . . . . 5976 1 125 . 1 1 11 11 VAL CG1 C 13 21.605 0.2 . 2 . . . . . . . . 5976 1 126 . 1 1 11 11 VAL CG2 C 13 22.465 0.2 . 2 . . . . . . . . 5976 1 127 . 1 1 11 11 VAL C C 13 177.471 0.2 . 1 . . . . . . . . 5976 1 128 . 1 1 12 12 LEU N N 15 120.908 0.1 . 1 . . . . . . . . 5976 1 129 . 1 1 12 12 LEU H H 1 8.765 0.015 . 1 . . . . . . . . 5976 1 130 . 1 1 12 12 LEU CA C 13 58.575 0.2 . 1 . . . . . . . . 5976 1 131 . 1 1 12 12 LEU HA H 1 3.938 0.015 . 1 . . . . . . . . 5976 1 132 . 1 1 12 12 LEU CB C 13 41.669 0.2 . 1 . . . . . . . . 5976 1 133 . 1 1 12 12 LEU HB2 H 1 1.525 0.015 . 2 . . . . . . . . 5976 1 134 . 1 1 12 12 LEU HB3 H 1 1.885 0.015 . 2 . . . . . . . . 5976 1 135 . 1 1 12 12 LEU CG C 13 26.757 0.2 . 1 . . . . . . . . 5976 1 136 . 1 1 12 12 LEU HG H 1 1.691 0.015 . 1 . . . . . . . . 5976 1 137 . 1 1 12 12 LEU HD11 H 1 0.937 0.015 . 2 . . . . . . . . 5976 1 138 . 1 1 12 12 LEU HD12 H 1 0.937 0.015 . 2 . . . . . . . . 5976 1 139 . 1 1 12 12 LEU HD13 H 1 0.937 0.015 . 2 . . . . . . . . 5976 1 140 . 1 1 12 12 LEU HD21 H 1 0.933 0.015 . 2 . . . . . . . . 5976 1 141 . 1 1 12 12 LEU HD22 H 1 0.933 0.015 . 2 . . . . . . . . 5976 1 142 . 1 1 12 12 LEU HD23 H 1 0.933 0.015 . 2 . . . . . . . . 5976 1 143 . 1 1 12 12 LEU CD1 C 13 23.780 0.2 . 2 . . . . . . . . 5976 1 144 . 1 1 12 12 LEU CD2 C 13 24.715 0.2 . 2 . . . . . . . . 5976 1 145 . 1 1 12 12 LEU C C 13 178.743 0.2 . 1 . . . . . . . . 5976 1 146 . 1 1 13 13 ASN N N 15 115.329 0.1 . 1 . . . . . . . . 5976 1 147 . 1 1 13 13 ASN H H 1 8.347 0.015 . 1 . . . . . . . . 5976 1 148 . 1 1 13 13 ASN CA C 13 55.982 0.2 . 1 . . . . . . . . 5976 1 149 . 1 1 13 13 ASN HA H 1 4.431 0.015 . 1 . . . . . . . . 5976 1 150 . 1 1 13 13 ASN CB C 13 37.789 0.2 . 1 . . . . . . . . 5976 1 151 . 1 1 13 13 ASN HB2 H 1 2.829 0.015 . 2 . . . . . . . . 5976 1 152 . 1 1 13 13 ASN HB3 H 1 2.977 0.015 . 2 . . . . . . . . 5976 1 153 . 1 1 13 13 ASN ND2 N 15 112.274 0.1 . 1 . . . . . . . . 5976 1 154 . 1 1 13 13 ASN HD21 H 1 7.637 0.015 . 2 . . . . . . . . 5976 1 155 . 1 1 13 13 ASN HD22 H 1 6.950 0.015 . 2 . . . . . . . . 5976 1 156 . 1 1 13 13 ASN C C 13 177.969 0.2 . 1 . . . . . . . . 5976 1 157 . 1 1 14 14 ALA N N 15 122.070 0.1 . 1 . . . . . . . . 5976 1 158 . 1 1 14 14 ALA H H 1 7.632 0.015 . 1 . . . . . . . . 5976 1 159 . 1 1 14 14 ALA CA C 13 54.483 0.2 . 1 . . . . . . . . 5976 1 160 . 1 1 14 14 ALA HA H 1 4.249 0.015 . 1 . . . . . . . . 5976 1 161 . 1 1 14 14 ALA HB1 H 1 1.475 0.015 . 1 . . . . . . . . 5976 1 162 . 1 1 14 14 ALA HB2 H 1 1.475 0.015 . 1 . . . . . . . . 5976 1 163 . 1 1 14 14 ALA HB3 H 1 1.475 0.015 . 1 . . . . . . . . 5976 1 164 . 1 1 14 14 ALA CB C 13 18.424 0.2 . 1 . . . . . . . . 5976 1 165 . 1 1 14 14 ALA C C 13 180.435 0.2 . 1 . . . . . . . . 5976 1 166 . 1 1 15 15 LEU N N 15 117.189 0.1 . 1 . . . . . . . . 5976 1 167 . 1 1 15 15 LEU H H 1 8.109 0.015 . 1 . . . . . . . . 5976 1 168 . 1 1 15 15 LEU CA C 13 56.645 0.2 . 1 . . . . . . . . 5976 1 169 . 1 1 15 15 LEU HA H 1 4.061 0.015 . 1 . . . . . . . . 5976 1 170 . 1 1 15 15 LEU CB C 13 41.803 0.2 . 1 . . . . . . . . 5976 1 171 . 1 1 15 15 LEU HB2 H 1 1.322 0.015 . 2 . . . . . . . . 5976 1 172 . 1 1 15 15 LEU HB3 H 1 1.903 0.015 . 2 . . . . . . . . 5976 1 173 . 1 1 15 15 LEU CG C 13 26.396 0.2 . 1 . . . . . . . . 5976 1 174 . 1 1 15 15 LEU HG H 1 1.894 0.015 . 1 . . . . . . . . 5976 1 175 . 1 1 15 15 LEU HD11 H 1 0.846 0.015 . 2 . . . . . . . . 5976 1 176 . 1 1 15 15 LEU HD12 H 1 0.846 0.015 . 2 . . . . . . . . 5976 1 177 . 1 1 15 15 LEU HD13 H 1 0.846 0.015 . 2 . . . . . . . . 5976 1 178 . 1 1 15 15 LEU HD21 H 1 0.867 0.015 . 2 . . . . . . . . 5976 1 179 . 1 1 15 15 LEU HD22 H 1 0.867 0.015 . 2 . . . . . . . . 5976 1 180 . 1 1 15 15 LEU HD23 H 1 0.867 0.015 . 2 . . . . . . . . 5976 1 181 . 1 1 15 15 LEU CD1 C 13 26.820 0.2 . 2 . . . . . . . . 5976 1 182 . 1 1 15 15 LEU CD2 C 13 22.715 0.2 . 2 . . . . . . . . 5976 1 183 . 1 1 15 15 LEU C C 13 177.537 0.2 . 1 . . . . . . . . 5976 1 184 . 1 1 16 16 LYS N N 15 118.816 0.1 . 1 . . . . . . . . 5976 1 185 . 1 1 16 16 LYS H H 1 7.674 0.015 . 1 . . . . . . . . 5976 1 186 . 1 1 16 16 LYS CA C 13 58.196 0.2 . 1 . . . . . . . . 5976 1 187 . 1 1 16 16 LYS HA H 1 4.241 0.015 . 1 . . . . . . . . 5976 1 188 . 1 1 16 16 LYS CB C 13 31.854 0.2 . 1 . . . . . . . . 5976 1 189 . 1 1 16 16 LYS HB2 H 1 1.930 0.015 . 2 . . . . . . . . 5976 1 190 . 1 1 16 16 LYS CG C 13 25.078 0.2 . 1 . . . . . . . . 5976 1 191 . 1 1 16 16 LYS HG2 H 1 1.577 0.015 . 2 . . . . . . . . 5976 1 192 . 1 1 16 16 LYS HG3 H 1 1.782 0.015 . 2 . . . . . . . . 5976 1 193 . 1 1 16 16 LYS CD C 13 29.099 0.2 . 1 . . . . . . . . 5976 1 194 . 1 1 16 16 LYS HD2 H 1 1.769 0.015 . 2 . . . . . . . . 5976 1 195 . 1 1 16 16 LYS CE C 13 41.954 0.2 . 1 . . . . . . . . 5976 1 196 . 1 1 16 16 LYS HE2 H 1 2.974 0.015 . 2 . . . . . . . . 5976 1 197 . 1 1 16 16 LYS HE3 H 1 3.042 0.015 . 2 . . . . . . . . 5976 1 198 . 1 1 16 16 LYS C C 13 175.595 0.2 . 1 . . . . . . . . 5976 1 199 . 1 1 17 17 ASN N N 15 112.075 0.1 . 1 . . . . . . . . 5976 1 200 . 1 1 17 17 ASN H H 1 7.236 0.015 . 1 . . . . . . . . 5976 1 201 . 1 1 17 17 ASN CA C 13 52.951 0.2 . 1 . . . . . . . . 5976 1 202 . 1 1 17 17 ASN HA H 1 4.808 0.015 . 1 . . . . . . . . 5976 1 203 . 1 1 17 17 ASN CB C 13 39.538 0.2 . 1 . . . . . . . . 5976 1 204 . 1 1 17 17 ASN HB2 H 1 2.748 0.015 . 2 . . . . . . . . 5976 1 205 . 1 1 17 17 ASN HB3 H 1 3.053 0.015 . 2 . . . . . . . . 5976 1 206 . 1 1 17 17 ASN ND2 N 15 114.722 0.1 . 1 . . . . . . . . 5976 1 207 . 1 1 17 17 ASN HD21 H 1 7.584 0.015 . 2 . . . . . . . . 5976 1 208 . 1 1 17 17 ASN HD22 H 1 6.988 0.015 . 2 . . . . . . . . 5976 1 209 . 1 1 17 17 ASN C C 13 174.481 0.2 . 1 . . . . . . . . 5976 1 210 . 1 1 18 18 VAL N N 15 122.767 0.1 . 1 . . . . . . . . 5976 1 211 . 1 1 18 18 VAL H H 1 8.028 0.015 . 1 . . . . . . . . 5976 1 212 . 1 1 18 18 VAL CA C 13 62.788 0.2 . 1 . . . . . . . . 5976 1 213 . 1 1 18 18 VAL HA H 1 4.107 0.015 . 1 . . . . . . . . 5976 1 214 . 1 1 18 18 VAL CB C 13 30.429 0.2 . 1 . . . . . . . . 5976 1 215 . 1 1 18 18 VAL HB H 1 2.505 0.015 . 1 . . . . . . . . 5976 1 216 . 1 1 18 18 VAL HG11 H 1 0.967 0.015 . 2 . . . . . . . . 5976 1 217 . 1 1 18 18 VAL HG12 H 1 0.967 0.015 . 2 . . . . . . . . 5976 1 218 . 1 1 18 18 VAL HG13 H 1 0.967 0.015 . 2 . . . . . . . . 5976 1 219 . 1 1 18 18 VAL HG21 H 1 0.898 0.015 . 2 . . . . . . . . 5976 1 220 . 1 1 18 18 VAL HG22 H 1 0.898 0.015 . 2 . . . . . . . . 5976 1 221 . 1 1 18 18 VAL HG23 H 1 0.898 0.015 . 2 . . . . . . . . 5976 1 222 . 1 1 18 18 VAL CG1 C 13 21.470 0.2 . 2 . . . . . . . . 5976 1 223 . 1 1 18 18 VAL CG2 C 13 22.249 0.2 . 2 . . . . . . . . 5976 1 224 . 1 1 18 18 VAL C C 13 173.707 0.2 . 1 . . . . . . . . 5976 1 225 . 1 1 19 19 ILE N N 15 126.487 0.1 . 1 . . . . . . . . 5976 1 226 . 1 1 19 19 ILE H H 1 8.316 0.015 . 1 . . . . . . . . 5976 1 227 . 1 1 19 19 ILE CA C 13 58.317 0.2 . 1 . . . . . . . . 5976 1 228 . 1 1 19 19 ILE HA H 1 4.184 0.015 . 1 . . . . . . . . 5976 1 229 . 1 1 19 19 ILE CB C 13 39.239 0.2 . 1 . . . . . . . . 5976 1 230 . 1 1 19 19 ILE HB H 1 1.457 0.015 . 1 . . . . . . . . 5976 1 231 . 1 1 19 19 ILE HG21 H 1 0.336 0.015 . 1 . . . . . . . . 5976 1 232 . 1 1 19 19 ILE HG22 H 1 0.336 0.015 . 1 . . . . . . . . 5976 1 233 . 1 1 19 19 ILE HG23 H 1 0.336 0.015 . 1 . . . . . . . . 5976 1 234 . 1 1 19 19 ILE CG2 C 13 16.169 0.2 . 1 . . . . . . . . 5976 1 235 . 1 1 19 19 ILE CG1 C 13 26.451 0.2 . 1 . . . . . . . . 5976 1 236 . 1 1 19 19 ILE HG12 H 1 1.179 0.015 . 2 . . . . . . . . 5976 1 237 . 1 1 19 19 ILE HG13 H 1 1.127 0.015 . 2 . . . . . . . . 5976 1 238 . 1 1 19 19 ILE HD11 H 1 0.589 0.015 . 1 . . . . . . . . 5976 1 239 . 1 1 19 19 ILE HD12 H 1 0.589 0.015 . 1 . . . . . . . . 5976 1 240 . 1 1 19 19 ILE HD13 H 1 0.589 0.015 . 1 . . . . . . . . 5976 1 241 . 1 1 19 19 ILE CD1 C 13 10.407 0.2 . 1 . . . . . . . . 5976 1 242 . 1 1 19 19 ILE C C 13 175.582 0.2 . 1 . . . . . . . . 5976 1 243 . 1 1 20 20 ASP N N 15 122.280 0.1 . 1 . . . . . . . . 5976 1 244 . 1 1 20 20 ASP H H 1 8.034 0.015 . 1 . . . . . . . . 5976 1 245 . 1 1 20 20 ASP CA C 13 52.366 0.2 . 1 . . . . . . . . 5976 1 246 . 1 1 20 20 ASP HA H 1 4.469 0.015 . 1 . . . . . . . . 5976 1 247 . 1 1 20 20 ASP CB C 13 39.948 0.2 . 1 . . . . . . . . 5976 1 248 . 1 1 20 20 ASP HB2 H 1 2.200 0.015 . 2 . . . . . . . . 5976 1 249 . 1 1 20 20 ASP HB3 H 1 2.836 0.015 . 2 . . . . . . . . 5976 1 250 . 1 1 20 20 ASP C C 13 176.946 0.2 . 1 . . . . . . . . 5976 1 251 . 1 1 21 21 PHE N N 15 125.789 0.1 . 1 . . . . . . . . 5976 1 252 . 1 1 21 21 PHE H H 1 8.109 0.015 . 1 . . . . . . . . 5976 1 253 . 1 1 21 21 PHE CA C 13 60.718 0.2 . 1 . . . . . . . . 5976 1 254 . 1 1 21 21 PHE HA H 1 4.099 0.015 . 1 . . . . . . . . 5976 1 255 . 1 1 21 21 PHE CB C 13 38.888 0.2 . 1 . . . . . . . . 5976 1 256 . 1 1 21 21 PHE HB2 H 1 3.057 0.015 . 2 . . . . . . . . 5976 1 257 . 1 1 21 21 PHE HB3 H 1 3.246 0.015 . 2 . . . . . . . . 5976 1 258 . 1 1 21 21 PHE HD2 H 1 7.345 0.015 . 3 . . . . . . . . 5976 1 259 . 1 1 21 21 PHE HE2 H 1 7.457 0.015 . 3 . . . . . . . . 5976 1 260 . 1 1 21 21 PHE CD1 C 13 131.893 0.2 . 1 . . . . . . . . 5976 1 261 . 1 1 21 21 PHE CE1 C 13 131.893 0.2 . 1 . . . . . . . . 5976 1 262 . 1 1 21 21 PHE CZ C 13 130.838 0.2 . 1 . . . . . . . . 5976 1 263 . 1 1 21 21 PHE HZ H 1 7.449 0.015 . 1 . . . . . . . . 5976 1 264 . 1 1 21 21 PHE CE2 C 13 131.893 0.2 . 1 . . . . . . . . 5976 1 265 . 1 1 21 21 PHE CD2 C 13 131.893 0.2 . 1 . . . . . . . . 5976 1 266 . 1 1 21 21 PHE C C 13 176.632 0.2 . 1 . . . . . . . . 5976 1 267 . 1 1 22 22 GLU N N 15 118.583 0.1 . 1 . . . . . . . . 5976 1 268 . 1 1 22 22 GLU H H 1 8.184 0.015 . 1 . . . . . . . . 5976 1 269 . 1 1 22 22 GLU CA C 13 58.658 0.2 . 1 . . . . . . . . 5976 1 270 . 1 1 22 22 GLU HA H 1 4.177 0.015 . 1 . . . . . . . . 5976 1 271 . 1 1 22 22 GLU CB C 13 29.376 0.2 . 1 . . . . . . . . 5976 1 272 . 1 1 22 22 GLU HB2 H 1 2.135 0.015 . 2 . . . . . . . . 5976 1 273 . 1 1 22 22 GLU CG C 13 35.891 0.2 . 1 . . . . . . . . 5976 1 274 . 1 1 22 22 GLU HG2 H 1 2.236 0.015 . 2 . . . . . . . . 5976 1 275 . 1 1 22 22 GLU HG3 H 1 2.302 0.015 . 2 . . . . . . . . 5976 1 276 . 1 1 22 22 GLU C C 13 177.523 0.2 . 1 . . . . . . . . 5976 1 277 . 1 1 23 23 LEU N N 15 115.794 0.1 . 1 . . . . . . . . 5976 1 278 . 1 1 23 23 LEU H H 1 7.497 0.015 . 1 . . . . . . . . 5976 1 279 . 1 1 23 23 LEU CA C 13 54.651 0.2 . 1 . . . . . . . . 5976 1 280 . 1 1 23 23 LEU HA H 1 4.502 0.015 . 1 . . . . . . . . 5976 1 281 . 1 1 23 23 LEU CB C 13 44.455 0.2 . 1 . . . . . . . . 5976 1 282 . 1 1 23 23 LEU HB2 H 1 1.496 0.015 . 2 . . . . . . . . 5976 1 283 . 1 1 23 23 LEU HB3 H 1 1.547 0.015 . 2 . . . . . . . . 5976 1 284 . 1 1 23 23 LEU CG C 13 26.944 0.2 . 1 . . . . . . . . 5976 1 285 . 1 1 23 23 LEU HG H 1 1.595 0.015 . 1 . . . . . . . . 5976 1 286 . 1 1 23 23 LEU HD11 H 1 0.845 0.015 . 2 . . . . . . . . 5976 1 287 . 1 1 23 23 LEU HD12 H 1 0.845 0.015 . 2 . . . . . . . . 5976 1 288 . 1 1 23 23 LEU HD13 H 1 0.845 0.015 . 2 . . . . . . . . 5976 1 289 . 1 1 23 23 LEU HD21 H 1 0.844 0.015 . 2 . . . . . . . . 5976 1 290 . 1 1 23 23 LEU HD22 H 1 0.844 0.015 . 2 . . . . . . . . 5976 1 291 . 1 1 23 23 LEU HD23 H 1 0.844 0.015 . 2 . . . . . . . . 5976 1 292 . 1 1 23 23 LEU CD1 C 13 26.389 0.2 . 2 . . . . . . . . 5976 1 293 . 1 1 23 23 LEU CD2 C 13 22.465 0.2 . 2 . . . . . . . . 5976 1 294 . 1 1 23 23 LEU C C 13 177.655 0.2 . 1 . . . . . . . . 5976 1 295 . 1 1 24 24 GLY N N 15 107.658 0.1 . 1 . . . . . . . . 5976 1 296 . 1 1 24 24 GLY H H 1 8.577 0.015 . 1 . . . . . . . . 5976 1 297 . 1 1 24 24 GLY CA C 13 46.025 0.2 . 1 . . . . . . . . 5976 1 298 . 1 1 24 24 GLY HA2 H 1 3.568 0.015 . 2 . . . . . . . . 5976 1 299 . 1 1 24 24 GLY HA3 H 1 4.061 0.015 . 2 . . . . . . . . 5976 1 300 . 1 1 24 24 GLY C C 13 173.235 0.2 . 1 . . . . . . . . 5976 1 301 . 1 1 25 25 LEU N N 15 117.189 0.1 . 1 . . . . . . . . 5976 1 302 . 1 1 25 25 LEU H H 1 6.594 0.015 . 1 . . . . . . . . 5976 1 303 . 1 1 25 25 LEU CA C 13 52.316 0.2 . 1 . . . . . . . . 5976 1 304 . 1 1 25 25 LEU HA H 1 4.888 0.015 . 1 . . . . . . . . 5976 1 305 . 1 1 25 25 LEU CB C 13 46.575 0.2 . 1 . . . . . . . . 5976 1 306 . 1 1 25 25 LEU HB2 H 1 1.373 0.015 . 2 . . . . . . . . 5976 1 307 . 1 1 25 25 LEU HB3 H 1 1.506 0.015 . 2 . . . . . . . . 5976 1 308 . 1 1 25 25 LEU CG C 13 26.221 0.2 . 1 . . . . . . . . 5976 1 309 . 1 1 25 25 LEU HG H 1 1.663 0.015 . 1 . . . . . . . . 5976 1 310 . 1 1 25 25 LEU HD11 H 1 1.660 0.015 . 2 . . . . . . . . 5976 1 311 . 1 1 25 25 LEU HD12 H 1 1.660 0.015 . 2 . . . . . . . . 5976 1 312 . 1 1 25 25 LEU HD13 H 1 1.660 0.015 . 2 . . . . . . . . 5976 1 313 . 1 1 25 25 LEU HD21 H 1 1.029 0.015 . 2 . . . . . . . . 5976 1 314 . 1 1 25 25 LEU HD22 H 1 1.029 0.015 . 2 . . . . . . . . 5976 1 315 . 1 1 25 25 LEU HD23 H 1 1.029 0.015 . 2 . . . . . . . . 5976 1 316 . 1 1 25 25 LEU CD1 C 13 26.171 0.2 . 2 . . . . . . . . 5976 1 317 . 1 1 25 25 LEU CD2 C 13 23.303 0.2 . 2 . . . . . . . . 5976 1 318 . 1 1 25 25 LEU C C 13 174.717 0.2 . 1 . . . . . . . . 5976 1 319 . 1 1 26 26 ASP N N 15 119.978 0.1 . 1 . . . . . . . . 5976 1 320 . 1 1 26 26 ASP H H 1 8.369 0.015 . 1 . . . . . . . . 5976 1 321 . 1 1 26 26 ASP CA C 13 53.715 0.2 . 1 . . . . . . . . 5976 1 322 . 1 1 26 26 ASP HA H 1 5.287 0.015 . 1 . . . . . . . . 5976 1 323 . 1 1 26 26 ASP CB C 13 43.639 0.2 . 1 . . . . . . . . 5976 1 324 . 1 1 26 26 ASP HB2 H 1 2.471 0.015 . 2 . . . . . . . . 5976 1 325 . 1 1 26 26 ASP HB3 H 1 3.074 0.015 . 2 . . . . . . . . 5976 1 326 . 1 1 26 26 ASP C C 13 176.566 0.2 . 1 . . . . . . . . 5976 1 327 . 1 1 27 27 VAL N N 15 109.750 0.1 . 1 . . . . . . . . 5976 1 328 . 1 1 27 27 VAL H H 1 8.344 0.015 . 1 . . . . . . . . 5976 1 329 . 1 1 27 27 VAL CA C 13 64.570 0.2 . 1 . . . . . . . . 5976 1 330 . 1 1 27 27 VAL HA H 1 3.851 0.015 . 1 . . . . . . . . 5976 1 331 . 1 1 27 27 VAL CB C 13 31.256 0.2 . 1 . . . . . . . . 5976 1 332 . 1 1 27 27 VAL HB H 1 2.233 0.015 . 1 . . . . . . . . 5976 1 333 . 1 1 27 27 VAL HG11 H 1 0.922 0.015 . 2 . . . . . . . . 5976 1 334 . 1 1 27 27 VAL HG12 H 1 0.922 0.015 . 2 . . . . . . . . 5976 1 335 . 1 1 27 27 VAL HG13 H 1 0.922 0.015 . 2 . . . . . . . . 5976 1 336 . 1 1 27 27 VAL HG21 H 1 1.035 0.015 . 2 . . . . . . . . 5976 1 337 . 1 1 27 27 VAL HG22 H 1 1.035 0.015 . 2 . . . . . . . . 5976 1 338 . 1 1 27 27 VAL HG23 H 1 1.035 0.015 . 2 . . . . . . . . 5976 1 339 . 1 1 27 27 VAL CG1 C 13 21.889 0.2 . 2 . . . . . . . . 5976 1 340 . 1 1 27 27 VAL CG2 C 13 17.965 0.2 . 2 . . . . . . . . 5976 1 341 . 1 1 27 27 VAL C C 13 176.264 0.2 . 1 . . . . . . . . 5976 1 342 . 1 1 28 28 VAL N N 15 122.767 0.1 . 1 . . . . . . . . 5976 1 343 . 1 1 28 28 VAL H H 1 8.325 0.015 . 1 . . . . . . . . 5976 1 344 . 1 1 28 28 VAL CA C 13 65.698 0.2 . 1 . . . . . . . . 5976 1 345 . 1 1 28 28 VAL HA H 1 4.000 0.015 . 1 . . . . . . . . 5976 1 346 . 1 1 28 28 VAL CB C 13 31.016 0.2 . 1 . . . . . . . . 5976 1 347 . 1 1 28 28 VAL HB H 1 2.422 0.015 . 1 . . . . . . . . 5976 1 348 . 1 1 28 28 VAL HG11 H 1 1.032 0.015 . 2 . . . . . . . . 5976 1 349 . 1 1 28 28 VAL HG12 H 1 1.032 0.015 . 2 . . . . . . . . 5976 1 350 . 1 1 28 28 VAL HG13 H 1 1.032 0.015 . 2 . . . . . . . . 5976 1 351 . 1 1 28 28 VAL HG21 H 1 1.034 0.015 . 2 . . . . . . . . 5976 1 352 . 1 1 28 28 VAL HG22 H 1 1.034 0.015 . 2 . . . . . . . . 5976 1 353 . 1 1 28 28 VAL HG23 H 1 1.034 0.015 . 2 . . . . . . . . 5976 1 354 . 1 1 28 28 VAL CG1 C 13 23.333 0.2 . 2 . . . . . . . . 5976 1 355 . 1 1 28 28 VAL CG2 C 13 20.965 0.2 . 2 . . . . . . . . 5976 1 356 . 1 1 28 28 VAL C C 13 181.445 0.2 . 1 . . . . . . . . 5976 1 357 . 1 1 29 29 SER N N 15 124.627 0.1 . 1 . . . . . . . . 5976 1 358 . 1 1 29 29 SER H H 1 9.999 0.015 . 1 . . . . . . . . 5976 1 359 . 1 1 29 29 SER CA C 13 62.104 0.2 . 1 . . . . . . . . 5976 1 360 . 1 1 29 29 SER HA H 1 3.970 0.015 . 1 . . . . . . . . 5976 1 361 . 1 1 29 29 SER CB C 13 62.186 0.2 . 1 . . . . . . . . 5976 1 362 . 1 1 29 29 SER HB2 H 1 4.272 0.015 . 2 . . . . . . . . 5976 1 363 . 1 1 29 29 SER C C 13 175.451 0.2 . 1 . . . . . . . . 5976 1 364 . 1 1 30 30 LEU N N 15 116.724 0.1 . 1 . . . . . . . . 5976 1 365 . 1 1 30 30 LEU H H 1 7.749 0.015 . 1 . . . . . . . . 5976 1 366 . 1 1 30 30 LEU CA C 13 55.848 0.2 . 1 . . . . . . . . 5976 1 367 . 1 1 30 30 LEU HA H 1 4.195 0.015 . 1 . . . . . . . . 5976 1 368 . 1 1 30 30 LEU CB C 13 44.643 0.2 . 1 . . . . . . . . 5976 1 369 . 1 1 30 30 LEU HB2 H 1 1.441 0.015 . 2 . . . . . . . . 5976 1 370 . 1 1 30 30 LEU HB3 H 1 1.682 0.015 . 2 . . . . . . . . 5976 1 371 . 1 1 30 30 LEU CG C 13 26.458 0.2 . 1 . . . . . . . . 5976 1 372 . 1 1 30 30 LEU HG H 1 1.640 0.015 . 1 . . . . . . . . 5976 1 373 . 1 1 30 30 LEU HD11 H 1 0.756 0.015 . 2 . . . . . . . . 5976 1 374 . 1 1 30 30 LEU HD12 H 1 0.756 0.015 . 2 . . . . . . . . 5976 1 375 . 1 1 30 30 LEU HD13 H 1 0.756 0.015 . 2 . . . . . . . . 5976 1 376 . 1 1 30 30 LEU HD21 H 1 0.848 0.015 . 2 . . . . . . . . 5976 1 377 . 1 1 30 30 LEU HD22 H 1 0.848 0.015 . 2 . . . . . . . . 5976 1 378 . 1 1 30 30 LEU HD23 H 1 0.848 0.015 . 2 . . . . . . . . 5976 1 379 . 1 1 30 30 LEU CD1 C 13 26.393 0.2 . 2 . . . . . . . . 5976 1 380 . 1 1 30 30 LEU CD2 C 13 24.709 0.2 . 2 . . . . . . . . 5976 1 381 . 1 1 30 30 LEU C C 13 176.054 0.2 . 1 . . . . . . . . 5976 1 382 . 1 1 31 31 GLY N N 15 106.031 0.1 . 1 . . . . . . . . 5976 1 383 . 1 1 31 31 GLY H H 1 8.054 0.015 . 1 . . . . . . . . 5976 1 384 . 1 1 31 31 GLY CA C 13 46.565 0.2 . 1 . . . . . . . . 5976 1 385 . 1 1 31 31 GLY HA2 H 1 4.282 0.015 . 2 . . . . . . . . 5976 1 386 . 1 1 31 31 GLY C C 13 176.540 0.2 . 1 . . . . . . . . 5976 1 387 . 1 1 32 32 LEU N N 15 114.399 0.1 . 1 . . . . . . . . 5976 1 388 . 1 1 32 32 LEU H H 1 8.016 0.015 . 1 . . . . . . . . 5976 1 389 . 1 1 32 32 LEU CA C 13 55.102 0.2 . 1 . . . . . . . . 5976 1 390 . 1 1 32 32 LEU HA H 1 4.173 0.015 . 1 . . . . . . . . 5976 1 391 . 1 1 32 32 LEU CB C 13 40.176 0.2 . 1 . . . . . . . . 5976 1 392 . 1 1 32 32 LEU HB2 H 1 1.630 0.015 . 2 . . . . . . . . 5976 1 393 . 1 1 32 32 LEU HB3 H 1 2.057 0.015 . 2 . . . . . . . . 5976 1 394 . 1 1 32 32 LEU CG C 13 26.055 0.2 . 1 . . . . . . . . 5976 1 395 . 1 1 32 32 LEU HG H 1 1.515 0.015 . 1 . . . . . . . . 5976 1 396 . 1 1 32 32 LEU HD11 H 1 0.925 0.015 . 2 . . . . . . . . 5976 1 397 . 1 1 32 32 LEU HD12 H 1 0.925 0.015 . 2 . . . . . . . . 5976 1 398 . 1 1 32 32 LEU HD13 H 1 0.925 0.015 . 2 . . . . . . . . 5976 1 399 . 1 1 32 32 LEU HD21 H 1 0.099 0.015 . 2 . . . . . . . . 5976 1 400 . 1 1 32 32 LEU HD22 H 1 0.099 0.015 . 2 . . . . . . . . 5976 1 401 . 1 1 32 32 LEU HD23 H 1 0.099 0.015 . 2 . . . . . . . . 5976 1 402 . 1 1 32 32 LEU CD1 C 13 24.084 0.2 . 2 . . . . . . . . 5976 1 403 . 1 1 32 32 LEU CD2 C 13 20.491 0.2 . 2 . . . . . . . . 5976 1 404 . 1 1 32 32 LEU C C 13 176.304 0.2 . 1 . . . . . . . . 5976 1 405 . 1 1 33 33 VAL N N 15 116.259 0.1 . 1 . . . . . . . . 5976 1 406 . 1 1 33 33 VAL H H 1 8.087 0.015 . 1 . . . . . . . . 5976 1 407 . 1 1 33 33 VAL CA C 13 62.939 0.2 . 1 . . . . . . . . 5976 1 408 . 1 1 33 33 VAL HA H 1 3.970 0.015 . 1 . . . . . . . . 5976 1 409 . 1 1 33 33 VAL CB C 13 30.494 0.2 . 1 . . . . . . . . 5976 1 410 . 1 1 33 33 VAL HB H 1 2.370 0.015 . 1 . . . . . . . . 5976 1 411 . 1 1 33 33 VAL CG1 C 13 21.490 0.2 . 2 . . . . . . . . 5976 1 412 . 1 1 33 33 VAL CG2 C 13 21.215 0.2 . 2 . . . . . . . . 5976 1 413 . 1 1 33 33 VAL HG11 H 1 0.842 0.015 . 2 . . . . . . . . 5976 1 414 . 1 1 33 33 VAL HG12 H 1 0.842 0.015 . 2 . . . . . . . . 5976 1 415 . 1 1 33 33 VAL HG13 H 1 0.842 0.015 . 2 . . . . . . . . 5976 1 416 . 1 1 33 33 VAL C C 13 175.661 0.2 . 1 . . . . . . . . 5976 1 417 . 1 1 34 34 TYR N N 15 130.671 0.1 . 1 . . . . . . . . 5976 1 418 . 1 1 34 34 TYR H H 1 9.039 0.015 . 1 . . . . . . . . 5976 1 419 . 1 1 34 34 TYR CA C 13 56.401 0.2 . 1 . . . . . . . . 5976 1 420 . 1 1 34 34 TYR HA H 1 4.842 0.015 . 1 . . . . . . . . 5976 1 421 . 1 1 34 34 TYR CB C 13 37.104 0.2 . 1 . . . . . . . . 5976 1 422 . 1 1 34 34 TYR HB2 H 1 3.091 0.015 . 2 . . . . . . . . 5976 1 423 . 1 1 34 34 TYR HB3 H 1 2.785 0.015 . 2 . . . . . . . . 5976 1 424 . 1 1 34 34 TYR HD2 H 1 6.777 0.015 . 3 . . . . . . . . 5976 1 425 . 1 1 34 34 TYR HE2 H 1 6.861 0.015 . 3 . . . . . . . . 5976 1 426 . 1 1 34 34 TYR CD1 C 13 130.135 0.2 . 1 . . . . . . . . 5976 1 427 . 1 1 34 34 TYR CE1 C 13 118.534 0.2 . 1 . . . . . . . . 5976 1 428 . 1 1 34 34 TYR CE2 C 13 118.534 0.2 . 1 . . . . . . . . 5976 1 429 . 1 1 34 34 TYR CD2 C 13 130.135 0.2 . 1 . . . . . . . . 5976 1 430 . 1 1 34 34 TYR C C 13 176.579 0.2 . 1 . . . . . . . . 5976 1 431 . 1 1 35 35 ASP N N 15 116.724 0.1 . 1 . . . . . . . . 5976 1 432 . 1 1 35 35 ASP H H 1 8.059 0.015 . 1 . . . . . . . . 5976 1 433 . 1 1 35 35 ASP CA C 13 54.570 0.2 . 1 . . . . . . . . 5976 1 434 . 1 1 35 35 ASP HA H 1 4.961 0.015 . 1 . . . . . . . . 5976 1 435 . 1 1 35 35 ASP CB C 13 44.523 0.2 . 1 . . . . . . . . 5976 1 436 . 1 1 35 35 ASP HB2 H 1 2.544 0.015 . 2 . . . . . . . . 5976 1 437 . 1 1 35 35 ASP HB3 H 1 2.828 0.015 . 2 . . . . . . . . 5976 1 438 . 1 1 35 35 ASP C C 13 173.930 0.2 . 1 . . . . . . . . 5976 1 439 . 1 1 36 36 ILE N N 15 123.000 0.1 . 1 . . . . . . . . 5976 1 440 . 1 1 36 36 ILE H H 1 8.125 0.015 . 1 . . . . . . . . 5976 1 441 . 1 1 36 36 ILE CA C 13 61.072 0.2 . 1 . . . . . . . . 5976 1 442 . 1 1 36 36 ILE HA H 1 4.651 0.015 . 1 . . . . . . . . 5976 1 443 . 1 1 36 36 ILE CB C 13 42.119 0.2 . 1 . . . . . . . . 5976 1 444 . 1 1 36 36 ILE HB H 1 1.610 0.015 . 1 . . . . . . . . 5976 1 445 . 1 1 36 36 ILE HG21 H 1 0.841 0.015 . 1 . . . . . . . . 5976 1 446 . 1 1 36 36 ILE HG22 H 1 0.841 0.015 . 1 . . . . . . . . 5976 1 447 . 1 1 36 36 ILE HG23 H 1 0.841 0.015 . 1 . . . . . . . . 5976 1 448 . 1 1 36 36 ILE CG2 C 13 17.425 0.2 . 1 . . . . . . . . 5976 1 449 . 1 1 36 36 ILE CG1 C 13 27.511 0.2 . 1 . . . . . . . . 5976 1 450 . 1 1 36 36 ILE HG12 H 1 1.617 0.015 . 2 . . . . . . . . 5976 1 451 . 1 1 36 36 ILE HD11 H 1 0.897 0.015 . 1 . . . . . . . . 5976 1 452 . 1 1 36 36 ILE HD12 H 1 0.897 0.015 . 1 . . . . . . . . 5976 1 453 . 1 1 36 36 ILE HD13 H 1 0.897 0.015 . 1 . . . . . . . . 5976 1 454 . 1 1 36 36 ILE CD1 C 13 14.765 0.2 . 1 . . . . . . . . 5976 1 455 . 1 1 36 36 ILE C C 13 173.812 0.2 . 1 . . . . . . . . 5976 1 456 . 1 1 37 37 GLN N N 15 126.487 0.1 . 1 . . . . . . . . 5976 1 457 . 1 1 37 37 GLN H H 1 9.346 0.015 . 1 . . . . . . . . 5976 1 458 . 1 1 37 37 GLN CA C 13 54.074 0.2 . 1 . . . . . . . . 5976 1 459 . 1 1 37 37 GLN HA H 1 4.754 0.015 . 1 . . . . . . . . 5976 1 460 . 1 1 37 37 GLN CB C 13 31.089 0.2 . 1 . . . . . . . . 5976 1 461 . 1 1 37 37 GLN HB2 H 1 2.150 0.015 . 2 . . . . . . . . 5976 1 462 . 1 1 37 37 GLN HB3 H 1 1.952 0.015 . 2 . . . . . . . . 5976 1 463 . 1 1 37 37 GLN CG C 13 32.661 0.2 . 1 . . . . . . . . 5976 1 464 . 1 1 37 37 GLN HG2 H 1 2.333 0.015 . 2 . . . . . . . . 5976 1 465 . 1 1 37 37 GLN HG3 H 1 2.399 0.015 . 2 . . . . . . . . 5976 1 466 . 1 1 37 37 GLN NE2 N 15 112.206 0.1 . 1 . . . . . . . . 5976 1 467 . 1 1 37 37 GLN HE21 H 1 8.032 0.015 . 2 . . . . . . . . 5976 1 468 . 1 1 37 37 GLN HE22 H 1 6.704 0.015 . 2 . . . . . . . . 5976 1 469 . 1 1 37 37 GLN C C 13 174.481 0.2 . 1 . . . . . . . . 5976 1 470 . 1 1 38 38 ILE N N 15 124.859 0.1 . 1 . . . . . . . . 5976 1 471 . 1 1 38 38 ILE H H 1 8.546 0.015 . 1 . . . . . . . . 5976 1 472 . 1 1 38 38 ILE CA C 13 60.336 0.2 . 1 . . . . . . . . 5976 1 473 . 1 1 38 38 ILE HA H 1 5.133 0.015 . 1 . . . . . . . . 5976 1 474 . 1 1 38 38 ILE CB C 13 41.181 0.2 . 1 . . . . . . . . 5976 1 475 . 1 1 38 38 ILE HB H 1 1.700 0.015 . 1 . . . . . . . . 5976 1 476 . 1 1 38 38 ILE HG21 H 1 1.107 0.015 . 1 . . . . . . . . 5976 1 477 . 1 1 38 38 ILE HG22 H 1 1.107 0.015 . 1 . . . . . . . . 5976 1 478 . 1 1 38 38 ILE HG23 H 1 1.107 0.015 . 1 . . . . . . . . 5976 1 479 . 1 1 38 38 ILE CG2 C 13 17.428 0.2 . 1 . . . . . . . . 5976 1 480 . 1 1 38 38 ILE CG1 C 13 28.115 0.2 . 1 . . . . . . . . 5976 1 481 . 1 1 38 38 ILE HG12 H 1 0.896 0.015 . 2 . . . . . . . . 5976 1 482 . 1 1 38 38 ILE HG13 H 1 1.464 0.015 . 2 . . . . . . . . 5976 1 483 . 1 1 38 38 ILE HD11 H 1 0.707 0.015 . 1 . . . . . . . . 5976 1 484 . 1 1 38 38 ILE HD12 H 1 0.707 0.015 . 1 . . . . . . . . 5976 1 485 . 1 1 38 38 ILE HD13 H 1 0.707 0.015 . 1 . . . . . . . . 5976 1 486 . 1 1 38 38 ILE CD1 C 13 14.839 0.2 . 1 . . . . . . . . 5976 1 487 . 1 1 38 38 ILE C C 13 176.369 0.2 . 1 . . . . . . . . 5976 1 488 . 1 1 39 39 ASP N N 15 128.114 0.1 . 1 . . . . . . . . 5976 1 489 . 1 1 39 39 ASP H H 1 8.315 0.015 . 1 . . . . . . . . 5976 1 490 . 1 1 39 39 ASP CA C 13 52.348 0.2 . 1 . . . . . . . . 5976 1 491 . 1 1 39 39 ASP HA H 1 5.035 0.015 . 1 . . . . . . . . 5976 1 492 . 1 1 39 39 ASP CB C 13 41.425 0.2 . 1 . . . . . . . . 5976 1 493 . 1 1 39 39 ASP HB2 H 1 2.871 0.015 . 2 . . . . . . . . 5976 1 494 . 1 1 39 39 ASP HB3 H 1 3.456 0.015 . 2 . . . . . . . . 5976 1 495 . 1 1 39 39 ASP C C 13 177.878 0.2 . 1 . . . . . . . . 5976 1 496 . 1 1 40 40 ASP N N 15 115.794 0.1 . 1 . . . . . . . . 5976 1 497 . 1 1 40 40 ASP H H 1 8.325 0.015 . 1 . . . . . . . . 5976 1 498 . 1 1 40 40 ASP CA C 13 56.087 0.2 . 1 . . . . . . . . 5976 1 499 . 1 1 40 40 ASP HA H 1 4.521 0.015 . 1 . . . . . . . . 5976 1 500 . 1 1 40 40 ASP CB C 13 40.134 0.2 . 1 . . . . . . . . 5976 1 501 . 1 1 40 40 ASP HB2 H 1 2.822 0.015 . 2 . . . . . . . . 5976 1 502 . 1 1 40 40 ASP C C 13 176.500 0.2 . 1 . . . . . . . . 5976 1 503 . 1 1 41 41 GLN N N 15 118.816 0.1 . 1 . . . . . . . . 5976 1 504 . 1 1 41 41 GLN H H 1 8.287 0.015 . 1 . . . . . . . . 5976 1 505 . 1 1 41 41 GLN CA C 13 54.682 0.2 . 1 . . . . . . . . 5976 1 506 . 1 1 41 41 GLN HA H 1 4.494 0.015 . 1 . . . . . . . . 5976 1 507 . 1 1 41 41 GLN CB C 13 28.951 0.2 . 1 . . . . . . . . 5976 1 508 . 1 1 41 41 GLN HB2 H 1 1.984 0.015 . 2 . . . . . . . . 5976 1 509 . 1 1 41 41 GLN HB3 H 1 2.418 0.015 . 2 . . . . . . . . 5976 1 510 . 1 1 41 41 GLN CG C 13 33.878 0.2 . 1 . . . . . . . . 5976 1 511 . 1 1 41 41 GLN HG2 H 1 2.361 0.015 . 2 . . . . . . . . 5976 1 512 . 1 1 41 41 GLN NE2 N 15 112.107 0.1 . 1 . . . . . . . . 5976 1 513 . 1 1 41 41 GLN HE21 H 1 7.482 0.015 . 2 . . . . . . . . 5976 1 514 . 1 1 41 41 GLN HE22 H 1 6.794 0.015 . 2 . . . . . . . . 5976 1 515 . 1 1 41 41 GLN C C 13 174.808 0.2 . 1 . . . . . . . . 5976 1 516 . 1 1 42 42 ASN N N 15 110.912 0.1 . 1 . . . . . . . . 5976 1 517 . 1 1 42 42 ASN H H 1 8.051 0.015 . 1 . . . . . . . . 5976 1 518 . 1 1 42 42 ASN CA C 13 54.676 0.2 . 1 . . . . . . . . 5976 1 519 . 1 1 42 42 ASN HA H 1 4.140 0.015 . 1 . . . . . . . . 5976 1 520 . 1 1 42 42 ASN CB C 13 36.651 0.2 . 1 . . . . . . . . 5976 1 521 . 1 1 42 42 ASN HB2 H 1 3.146 0.015 . 2 . . . . . . . . 5976 1 522 . 1 1 42 42 ASN HB3 H 1 3.381 0.015 . 2 . . . . . . . . 5976 1 523 . 1 1 42 42 ASN ND2 N 15 112.866 0.1 . 1 . . . . . . . . 5976 1 524 . 1 1 42 42 ASN HD21 H 1 7.205 0.015 . 1 . . . . . . . . 5976 1 525 . 1 1 42 42 ASN HD22 H 1 7.205 0.015 . 1 . . . . . . . . 5976 1 526 . 1 1 42 42 ASN C C 13 174.822 0.2 . 1 . . . . . . . . 5976 1 527 . 1 1 43 43 ASN N N 15 117.653 0.1 . 1 . . . . . . . . 5976 1 528 . 1 1 43 43 ASN H H 1 8.868 0.015 . 1 . . . . . . . . 5976 1 529 . 1 1 43 43 ASN CA C 13 53.317 0.2 . 1 . . . . . . . . 5976 1 530 . 1 1 43 43 ASN HA H 1 5.414 0.015 . 1 . . . . . . . . 5976 1 531 . 1 1 43 43 ASN CB C 13 37.584 0.2 . 1 . . . . . . . . 5976 1 532 . 1 1 43 43 ASN HB2 H 1 2.724 0.015 . 2 . . . . . . . . 5976 1 533 . 1 1 43 43 ASN HB3 H 1 2.951 0.015 . 2 . . . . . . . . 5976 1 534 . 1 1 43 43 ASN ND2 N 15 119.747 0.1 . 1 . . . . . . . . 5976 1 535 . 1 1 43 43 ASN HD21 H 1 9.285 0.015 . 2 . . . . . . . . 5976 1 536 . 1 1 43 43 ASN HD22 H 1 7.000 0.015 . 2 . . . . . . . . 5976 1 537 . 1 1 43 43 ASN C C 13 175.582 0.2 . 1 . . . . . . . . 5976 1 538 . 1 1 44 44 VAL N N 15 123.232 0.1 . 1 . . . . . . . . 5976 1 539 . 1 1 44 44 VAL H H 1 8.963 0.015 . 1 . . . . . . . . 5976 1 540 . 1 1 44 44 VAL CA C 13 61.140 0.2 . 1 . . . . . . . . 5976 1 541 . 1 1 44 44 VAL HA H 1 4.817 0.015 . 1 . . . . . . . . 5976 1 542 . 1 1 44 44 VAL CB C 13 34.984 0.2 . 1 . . . . . . . . 5976 1 543 . 1 1 44 44 VAL HB H 1 1.931 0.015 . 1 . . . . . . . . 5976 1 544 . 1 1 44 44 VAL HG11 H 1 0.914 0.015 . 2 . . . . . . . . 5976 1 545 . 1 1 44 44 VAL HG12 H 1 0.914 0.015 . 2 . . . . . . . . 5976 1 546 . 1 1 44 44 VAL HG13 H 1 0.914 0.015 . 2 . . . . . . . . 5976 1 547 . 1 1 44 44 VAL HG21 H 1 0.913 0.015 . 2 . . . . . . . . 5976 1 548 . 1 1 44 44 VAL HG22 H 1 0.913 0.015 . 2 . . . . . . . . 5976 1 549 . 1 1 44 44 VAL HG23 H 1 0.913 0.015 . 2 . . . . . . . . 5976 1 550 . 1 1 44 44 VAL CG1 C 13 22.360 0.2 . 2 . . . . . . . . 5976 1 551 . 1 1 44 44 VAL CG2 C 13 22.362 0.2 . 2 . . . . . . . . 5976 1 552 . 1 1 44 44 VAL C C 13 174.638 0.2 . 1 . . . . . . . . 5976 1 553 . 1 1 45 45 LYS N N 15 130.206 0.1 . 1 . . . . . . . . 5976 1 554 . 1 1 45 45 LYS H H 1 9.338 0.015 . 1 . . . . . . . . 5976 1 555 . 1 1 45 45 LYS CA C 13 54.511 0.2 . 1 . . . . . . . . 5976 1 556 . 1 1 45 45 LYS HA H 1 5.540 0.015 . 1 . . . . . . . . 5976 1 557 . 1 1 45 45 LYS CB C 13 34.673 0.2 . 1 . . . . . . . . 5976 1 558 . 1 1 45 45 LYS HB2 H 1 1.708 0.015 . 2 . . . . . . . . 5976 1 559 . 1 1 45 45 LYS HB3 H 1 1.792 0.015 . 2 . . . . . . . . 5976 1 560 . 1 1 45 45 LYS CG C 13 24.986 0.2 . 1 . . . . . . . . 5976 1 561 . 1 1 45 45 LYS HG2 H 1 1.204 0.015 . 2 . . . . . . . . 5976 1 562 . 1 1 45 45 LYS HG3 H 1 1.303 0.015 . 2 . . . . . . . . 5976 1 563 . 1 1 45 45 LYS CD C 13 28.914 0.2 . 1 . . . . . . . . 5976 1 564 . 1 1 45 45 LYS HD2 H 1 1.632 0.015 . 2 . . . . . . . . 5976 1 565 . 1 1 45 45 LYS CE C 13 41.966 0.2 . 1 . . . . . . . . 5976 1 566 . 1 1 45 45 LYS HE2 H 1 2.846 0.015 . 2 . . . . . . . . 5976 1 567 . 1 1 45 45 LYS C C 13 175.215 0.2 . 1 . . . . . . . . 5976 1 568 . 1 1 46 46 VAL N N 15 126.719 0.1 . 1 . . . . . . . . 5976 1 569 . 1 1 46 46 VAL H H 1 8.978 0.015 . 1 . . . . . . . . 5976 1 570 . 1 1 46 46 VAL CA C 13 60.249 0.2 . 1 . . . . . . . . 5976 1 571 . 1 1 46 46 VAL HA H 1 4.864 0.015 . 1 . . . . . . . . 5976 1 572 . 1 1 46 46 VAL CB C 13 34.996 0.2 . 1 . . . . . . . . 5976 1 573 . 1 1 46 46 VAL HB H 1 1.945 0.015 . 1 . . . . . . . . 5976 1 574 . 1 1 46 46 VAL HG11 H 1 0.943 0.015 . 2 . . . . . . . . 5976 1 575 . 1 1 46 46 VAL HG12 H 1 0.943 0.015 . 2 . . . . . . . . 5976 1 576 . 1 1 46 46 VAL HG13 H 1 0.943 0.015 . 2 . . . . . . . . 5976 1 577 . 1 1 46 46 VAL HG21 H 1 0.930 0.015 . 2 . . . . . . . . 5976 1 578 . 1 1 46 46 VAL HG22 H 1 0.930 0.015 . 2 . . . . . . . . 5976 1 579 . 1 1 46 46 VAL HG23 H 1 0.930 0.015 . 2 . . . . . . . . 5976 1 580 . 1 1 46 46 VAL CG1 C 13 21.492 0.2 . 2 . . . . . . . . 5976 1 581 . 1 1 46 46 VAL CG2 C 13 22.715 0.2 . 2 . . . . . . . . 5976 1 582 . 1 1 46 46 VAL C C 13 173.248 0.2 . 1 . . . . . . . . 5976 1 583 . 1 1 47 47 LEU N N 15 129.276 0.1 . 1 . . . . . . . . 5976 1 584 . 1 1 47 47 LEU H H 1 8.748 0.015 . 1 . . . . . . . . 5976 1 585 . 1 1 47 47 LEU CA C 13 53.280 0.2 . 1 . . . . . . . . 5976 1 586 . 1 1 47 47 LEU HA H 1 5.212 0.015 . 1 . . . . . . . . 5976 1 587 . 1 1 47 47 LEU CB C 13 44.259 0.2 . 1 . . . . . . . . 5976 1 588 . 1 1 47 47 LEU HB2 H 1 1.553 0.015 . 2 . . . . . . . . 5976 1 589 . 1 1 47 47 LEU HB3 H 1 1.702 0.015 . 2 . . . . . . . . 5976 1 590 . 1 1 47 47 LEU CG C 13 27.236 0.2 . 1 . . . . . . . . 5976 1 591 . 1 1 47 47 LEU HG H 1 1.542 0.015 . 1 . . . . . . . . 5976 1 592 . 1 1 47 47 LEU HD11 H 1 1.014 0.015 . 2 . . . . . . . . 5976 1 593 . 1 1 47 47 LEU HD12 H 1 1.014 0.015 . 2 . . . . . . . . 5976 1 594 . 1 1 47 47 LEU HD13 H 1 1.014 0.015 . 2 . . . . . . . . 5976 1 595 . 1 1 47 47 LEU HD21 H 1 0.943 0.015 . 2 . . . . . . . . 5976 1 596 . 1 1 47 47 LEU HD22 H 1 0.943 0.015 . 2 . . . . . . . . 5976 1 597 . 1 1 47 47 LEU HD23 H 1 0.943 0.015 . 2 . . . . . . . . 5976 1 598 . 1 1 47 47 LEU CD1 C 13 25.001 0.2 . 2 . . . . . . . . 5976 1 599 . 1 1 47 47 LEU CD2 C 13 23.715 0.2 . 2 . . . . . . . . 5976 1 600 . 1 1 47 47 LEU C C 13 175.359 0.2 . 1 . . . . . . . . 5976 1 601 . 1 1 48 48 MET N N 15 125.557 0.1 . 1 . . . . . . . . 5976 1 602 . 1 1 48 48 MET H H 1 9.153 0.015 . 1 . . . . . . . . 5976 1 603 . 1 1 48 48 MET CA C 13 53.633 0.2 . 1 . . . . . . . . 5976 1 604 . 1 1 48 48 MET HA H 1 5.247 0.015 . 1 . . . . . . . . 5976 1 605 . 1 1 48 48 MET CB C 13 37.821 0.2 . 1 . . . . . . . . 5976 1 606 . 1 1 48 48 MET HB2 H 1 1.688 0.015 . 2 . . . . . . . . 5976 1 607 . 1 1 48 48 MET HB3 H 1 1.893 0.015 . 2 . . . . . . . . 5976 1 608 . 1 1 48 48 MET CG C 13 31.677 0.2 . 1 . . . . . . . . 5976 1 609 . 1 1 48 48 MET HG2 H 1 2.255 0.015 . 2 . . . . . . . . 5976 1 610 . 1 1 48 48 MET HG3 H 1 2.327 0.015 . 2 . . . . . . . . 5976 1 611 . 1 1 48 48 MET C C 13 172.238 0.2 . 1 . . . . . . . . 5976 1 612 . 1 1 49 49 THR N N 15 116.026 0.1 . 1 . . . . . . . . 5976 1 613 . 1 1 49 49 THR H H 1 8.282 0.015 . 1 . . . . . . . . 5976 1 614 . 1 1 49 49 THR CA C 13 58.345 0.2 . 1 . . . . . . . . 5976 1 615 . 1 1 49 49 THR HA H 1 4.654 0.015 . 1 . . . . . . . . 5976 1 616 . 1 1 49 49 THR CB C 13 71.799 0.2 . 1 . . . . . . . . 5976 1 617 . 1 1 49 49 THR HB H 1 2.986 0.015 . 1 . . . . . . . . 5976 1 618 . 1 1 49 49 THR HG21 H 1 1.150 0.015 . 1 . . . . . . . . 5976 1 619 . 1 1 49 49 THR HG22 H 1 1.150 0.015 . 1 . . . . . . . . 5976 1 620 . 1 1 49 49 THR HG23 H 1 1.150 0.015 . 1 . . . . . . . . 5976 1 621 . 1 1 49 49 THR CG2 C 13 18.346 0.2 . 1 . . . . . . . . 5976 1 622 . 1 1 49 49 THR C C 13 172.067 0.2 . 1 . . . . . . . . 5976 1 623 . 1 1 50 50 MET N N 15 112.075 0.1 . 1 . . . . . . . . 5976 1 624 . 1 1 50 50 MET H H 1 7.631 0.015 . 1 . . . . . . . . 5976 1 625 . 1 1 50 50 MET CA C 13 51.544 0.2 . 1 . . . . . . . . 5976 1 626 . 1 1 50 50 MET HA H 1 5.143 0.015 . 1 . . . . . . . . 5976 1 627 . 1 1 50 50 MET CB C 13 38.283 0.2 . 1 . . . . . . . . 5976 1 628 . 1 1 50 50 MET HB2 H 1 2.024 0.015 . 2 . . . . . . . . 5976 1 629 . 1 1 50 50 MET HB3 H 1 2.170 0.015 . 2 . . . . . . . . 5976 1 630 . 1 1 50 50 MET CG C 13 33.515 0.2 . 1 . . . . . . . . 5976 1 631 . 1 1 50 50 MET HG2 H 1 3.273 0.015 . 2 . . . . . . . . 5976 1 632 . 1 1 50 50 MET HG3 H 1 2.159 0.015 . 2 . . . . . . . . 5976 1 633 . 1 1 50 50 MET HE1 H 1 2.037 0.015 . 1 . . . . . . . . 5976 1 634 . 1 1 50 50 MET HE2 H 1 2.037 0.015 . 1 . . . . . . . . 5976 1 635 . 1 1 50 50 MET HE3 H 1 2.037 0.015 . 1 . . . . . . . . 5976 1 636 . 1 1 50 50 MET CE C 13 19.436 0.2 . 1 . . . . . . . . 5976 1 637 . 1 1 50 50 MET C C 13 176.409 0.2 . 1 . . . . . . . . 5976 1 638 . 1 1 51 51 THR N N 15 110.215 0.1 . 1 . . . . . . . . 5976 1 639 . 1 1 51 51 THR H H 1 8.629 0.015 . 1 . . . . . . . . 5976 1 640 . 1 1 51 51 THR CA C 13 64.493 0.2 . 1 . . . . . . . . 5976 1 641 . 1 1 51 51 THR HA H 1 3.178 0.015 . 1 . . . . . . . . 5976 1 642 . 1 1 51 51 THR CB C 13 68.265 0.2 . 1 . . . . . . . . 5976 1 643 . 1 1 51 51 THR HB H 1 3.575 0.015 . 1 . . . . . . . . 5976 1 644 . 1 1 51 51 THR HG21 H 1 0.088 0.015 . 1 . . . . . . . . 5976 1 645 . 1 1 51 51 THR HG22 H 1 0.088 0.015 . 1 . . . . . . . . 5976 1 646 . 1 1 51 51 THR HG23 H 1 0.088 0.015 . 1 . . . . . . . . 5976 1 647 . 1 1 51 51 THR CG2 C 13 20.880 0.2 . 1 . . . . . . . . 5976 1 648 . 1 1 51 51 THR C C 13 175.307 0.2 . 1 . . . . . . . . 5976 1 649 . 1 1 52 52 THR N N 15 108.588 0.1 . 1 . . . . . . . . 5976 1 650 . 1 1 52 52 THR H H 1 7.103 0.015 . 1 . . . . . . . . 5976 1 651 . 1 1 52 52 THR CA C 13 58.639 0.2 . 1 . . . . . . . . 5976 1 652 . 1 1 52 52 THR HA H 1 5.036 0.015 . 1 . . . . . . . . 5976 1 653 . 1 1 52 52 THR CB C 13 70.574 0.2 . 1 . . . . . . . . 5976 1 654 . 1 1 52 52 THR HB H 1 4.389 0.015 . 1 . . . . . . . . 5976 1 655 . 1 1 52 52 THR HG21 H 1 1.201 0.015 . 1 . . . . . . . . 5976 1 656 . 1 1 52 52 THR HG22 H 1 1.201 0.015 . 1 . . . . . . . . 5976 1 657 . 1 1 52 52 THR HG23 H 1 1.201 0.015 . 1 . . . . . . . . 5976 1 658 . 1 1 52 52 THR CG2 C 13 21.195 0.2 . 1 . . . . . . . . 5976 1 659 . 1 1 53 53 PRO CD C 13 50.533 0.2 . 1 . . . . . . . . 5976 1 660 . 1 1 53 53 PRO CA C 13 63.572 0.2 . 1 . . . . . . . . 5976 1 661 . 1 1 53 53 PRO HA H 1 4.067 0.015 . 1 . . . . . . . . 5976 1 662 . 1 1 53 53 PRO CB C 13 31.105 0.2 . 1 . . . . . . . . 5976 1 663 . 1 1 53 53 PRO HB2 H 1 1.548 0.015 . 2 . . . . . . . . 5976 1 664 . 1 1 53 53 PRO CG C 13 27.200 0.2 . 1 . . . . . . . . 5976 1 665 . 1 1 53 53 PRO HG2 H 1 1.669 0.015 . 2 . . . . . . . . 5976 1 666 . 1 1 53 53 PRO HG3 H 1 1.852 0.015 . 2 . . . . . . . . 5976 1 667 . 1 1 53 53 PRO HD2 H 1 3.824 0.015 . 2 . . . . . . . . 5976 1 668 . 1 1 53 53 PRO HD3 H 1 4.054 0.015 . 2 . . . . . . . . 5976 1 669 . 1 1 53 53 PRO C C 13 176.566 0.2 . 1 . . . . . . . . 5976 1 670 . 1 1 54 54 MET N N 15 115.329 0.1 . 1 . . . . . . . . 5976 1 671 . 1 1 54 54 MET H H 1 7.662 0.015 . 1 . . . . . . . . 5976 1 672 . 1 1 54 54 MET CA C 13 54.778 0.2 . 1 . . . . . . . . 5976 1 673 . 1 1 54 54 MET HA H 1 4.374 0.015 . 1 . . . . . . . . 5976 1 674 . 1 1 54 54 MET CB C 13 30.503 0.2 . 1 . . . . . . . . 5976 1 675 . 1 1 54 54 MET HB2 H 1 1.858 0.015 . 2 . . . . . . . . 5976 1 676 . 1 1 54 54 MET HB3 H 1 2.019 0.015 . 2 . . . . . . . . 5976 1 677 . 1 1 54 54 MET CG C 13 31.696 0.2 . 1 . . . . . . . . 5976 1 678 . 1 1 54 54 MET HG2 H 1 2.330 0.015 . 2 . . . . . . . . 5976 1 679 . 1 1 54 54 MET C C 13 174.913 0.2 . 1 . . . . . . . . 5976 1 680 . 1 1 55 55 CYS N N 15 121.140 0.1 . 1 . . . . . . . . 5976 1 681 . 1 1 55 55 CYS H H 1 7.451 0.015 . 1 . . . . . . . . 5976 1 682 . 1 1 55 55 CYS CA C 13 56.744 0.2 . 1 . . . . . . . . 5976 1 683 . 1 1 55 55 CYS HA H 1 4.513 0.015 . 1 . . . . . . . . 5976 1 684 . 1 1 55 55 CYS CB C 13 27.832 0.2 . 1 . . . . . . . . 5976 1 685 . 1 1 55 55 CYS HB2 H 1 2.757 0.015 . 2 . . . . . . . . 5976 1 686 . 1 1 55 55 CYS HB3 H 1 3.305 0.015 . 2 . . . . . . . . 5976 1 687 . 1 1 56 56 PRO CD C 13 51.703 0.2 . 1 . . . . . . . . 5976 1 688 . 1 1 56 56 PRO CA C 13 64.624 0.2 . 1 . . . . . . . . 5976 1 689 . 1 1 56 56 PRO HA H 1 4.601 0.015 . 1 . . . . . . . . 5976 1 690 . 1 1 56 56 PRO CB C 13 31.859 0.2 . 1 . . . . . . . . 5976 1 691 . 1 1 56 56 PRO HB2 H 1 2.118 0.015 . 2 . . . . . . . . 5976 1 692 . 1 1 56 56 PRO HB3 H 1 2.455 0.015 . 2 . . . . . . . . 5976 1 693 . 1 1 56 56 PRO CG C 13 26.898 0.2 . 1 . . . . . . . . 5976 1 694 . 1 1 56 56 PRO HG2 H 1 2.052 0.015 . 2 . . . . . . . . 5976 1 695 . 1 1 56 56 PRO HG3 H 1 2.144 0.015 . 2 . . . . . . . . 5976 1 696 . 1 1 56 56 PRO HD2 H 1 4.003 0.015 . 2 . . . . . . . . 5976 1 697 . 1 1 56 56 PRO HD3 H 1 3.983 0.015 . 2 . . . . . . . . 5976 1 698 . 1 1 56 56 PRO C C 13 177.182 0.2 . 1 . . . . . . . . 5976 1 699 . 1 1 57 57 LEU N N 15 117.653 0.1 . 1 . . . . . . . . 5976 1 700 . 1 1 57 57 LEU H H 1 7.738 0.015 . 1 . . . . . . . . 5976 1 701 . 1 1 57 57 LEU CA C 13 53.826 0.2 . 1 . . . . . . . . 5976 1 702 . 1 1 57 57 LEU HA H 1 4.754 0.015 . 1 . . . . . . . . 5976 1 703 . 1 1 57 57 LEU CB C 13 41.227 0.2 . 1 . . . . . . . . 5976 1 704 . 1 1 57 57 LEU HB2 H 1 1.705 0.015 . 2 . . . . . . . . 5976 1 705 . 1 1 57 57 LEU HB3 H 1 2.031 0.015 . 2 . . . . . . . . 5976 1 706 . 1 1 57 57 LEU CG C 13 27.093 0.2 . 1 . . . . . . . . 5976 1 707 . 1 1 57 57 LEU HG H 1 1.665 0.015 . 1 . . . . . . . . 5976 1 708 . 1 1 57 57 LEU HD11 H 1 1.021 0.015 . 2 . . . . . . . . 5976 1 709 . 1 1 57 57 LEU HD12 H 1 1.021 0.015 . 2 . . . . . . . . 5976 1 710 . 1 1 57 57 LEU HD13 H 1 1.021 0.015 . 2 . . . . . . . . 5976 1 711 . 1 1 57 57 LEU HD21 H 1 0.935 0.015 . 2 . . . . . . . . 5976 1 712 . 1 1 57 57 LEU HD22 H 1 0.935 0.015 . 2 . . . . . . . . 5976 1 713 . 1 1 57 57 LEU HD23 H 1 0.935 0.015 . 2 . . . . . . . . 5976 1 714 . 1 1 57 57 LEU CD1 C 13 26.051 0.2 . 2 . . . . . . . . 5976 1 715 . 1 1 57 57 LEU CD2 C 13 22.465 0.2 . 2 . . . . . . . . 5976 1 716 . 1 1 57 57 LEU C C 13 176.514 0.2 . 1 . . . . . . . . 5976 1 717 . 1 1 58 58 ALA N N 15 122.535 0.1 . 1 . . . . . . . . 5976 1 718 . 1 1 58 58 ALA H H 1 7.479 0.015 . 1 . . . . . . . . 5976 1 719 . 1 1 58 58 ALA CA C 13 56.771 0.2 . 1 . . . . . . . . 5976 1 720 . 1 1 58 58 ALA HA H 1 4.295 0.015 . 1 . . . . . . . . 5976 1 721 . 1 1 58 58 ALA HB1 H 1 1.589 0.015 . 1 . . . . . . . . 5976 1 722 . 1 1 58 58 ALA HB2 H 1 1.589 0.015 . 1 . . . . . . . . 5976 1 723 . 1 1 58 58 ALA HB3 H 1 1.589 0.015 . 1 . . . . . . . . 5976 1 724 . 1 1 58 58 ALA CB C 13 19.789 0.2 . 1 . . . . . . . . 5976 1 725 . 1 1 58 58 ALA C C 13 178.651 0.2 . 1 . . . . . . . . 5976 1 726 . 1 1 59 59 GLY N N 15 102.312 0.1 . 1 . . . . . . . . 5976 1 727 . 1 1 59 59 GLY H H 1 8.657 0.015 . 1 . . . . . . . . 5976 1 728 . 1 1 59 59 GLY CA C 13 47.106 0.2 . 1 . . . . . . . . 5976 1 729 . 1 1 59 59 GLY HA2 H 1 3.944 0.015 . 2 . . . . . . . . 5976 1 730 . 1 1 59 59 GLY HA3 H 1 3.839 0.015 . 2 . . . . . . . . 5976 1 731 . 1 1 59 59 GLY C C 13 176.684 0.2 . 1 . . . . . . . . 5976 1 732 . 1 1 60 60 MET N N 15 122.535 0.1 . 1 . . . . . . . . 5976 1 733 . 1 1 60 60 MET H H 1 7.708 0.015 . 1 . . . . . . . . 5976 1 734 . 1 1 60 60 MET CA C 13 58.565 0.2 . 1 . . . . . . . . 5976 1 735 . 1 1 60 60 MET HA H 1 4.291 0.015 . 1 . . . . . . . . 5976 1 736 . 1 1 60 60 MET CB C 13 32.851 0.2 . 1 . . . . . . . . 5976 1 737 . 1 1 60 60 MET HB2 H 1 2.280 0.015 . 2 . . . . . . . . 5976 1 738 . 1 1 60 60 MET HB3 H 1 2.310 0.015 . 2 . . . . . . . . 5976 1 739 . 1 1 60 60 MET CG C 13 31.736 0.2 . 1 . . . . . . . . 5976 1 740 . 1 1 60 60 MET HG2 H 1 2.682 0.015 . 2 . . . . . . . . 5976 1 741 . 1 1 60 60 MET HG3 H 1 2.738 0.015 . 2 . . . . . . . . 5976 1 742 . 1 1 60 60 MET C C 13 177.746 0.2 . 1 . . . . . . . . 5976 1 743 . 1 1 61 61 ILE N N 15 120.675 0.1 . 1 . . . . . . . . 5976 1 744 . 1 1 61 61 ILE H H 1 8.188 0.015 . 1 . . . . . . . . 5976 1 745 . 1 1 61 61 ILE CA C 13 65.281 0.2 . 1 . . . . . . . . 5976 1 746 . 1 1 61 61 ILE HA H 1 3.860 0.015 . 1 . . . . . . . . 5976 1 747 . 1 1 61 61 ILE CB C 13 37.812 0.2 . 1 . . . . . . . . 5976 1 748 . 1 1 61 61 ILE HB H 1 1.790 0.015 . 1 . . . . . . . . 5976 1 749 . 1 1 61 61 ILE HG21 H 1 0.744 0.015 . 1 . . . . . . . . 5976 1 750 . 1 1 61 61 ILE HG22 H 1 0.744 0.015 . 1 . . . . . . . . 5976 1 751 . 1 1 61 61 ILE HG23 H 1 0.744 0.015 . 1 . . . . . . . . 5976 1 752 . 1 1 61 61 ILE CG2 C 13 17.345 0.2 . 1 . . . . . . . . 5976 1 753 . 1 1 61 61 ILE CG1 C 13 29.045 0.2 . 1 . . . . . . . . 5976 1 754 . 1 1 61 61 ILE HG12 H 1 1.063 0.015 . 2 . . . . . . . . 5976 1 755 . 1 1 61 61 ILE HG13 H 1 1.944 0.015 . 2 . . . . . . . . 5976 1 756 . 1 1 61 61 ILE HD11 H 1 0.817 0.015 . 1 . . . . . . . . 5976 1 757 . 1 1 61 61 ILE HD12 H 1 0.817 0.015 . 1 . . . . . . . . 5976 1 758 . 1 1 61 61 ILE HD13 H 1 0.817 0.015 . 1 . . . . . . . . 5976 1 759 . 1 1 61 61 ILE CD1 C 13 13.441 0.2 . 1 . . . . . . . . 5976 1 760 . 1 1 61 61 ILE C C 13 177.917 0.2 . 1 . . . . . . . . 5976 1 761 . 1 1 62 62 LEU N N 15 118.816 0.1 . 1 . . . . . . . . 5976 1 762 . 1 1 62 62 LEU H H 1 8.437 0.015 . 1 . . . . . . . . 5976 1 763 . 1 1 62 62 LEU CA C 13 58.649 0.2 . 1 . . . . . . . . 5976 1 764 . 1 1 62 62 LEU HA H 1 3.893 0.015 . 1 . . . . . . . . 5976 1 765 . 1 1 62 62 LEU CB C 13 41.299 0.2 . 1 . . . . . . . . 5976 1 766 . 1 1 62 62 LEU HB2 H 1 1.608 0.015 . 2 . . . . . . . . 5976 1 767 . 1 1 62 62 LEU HB3 H 1 1.879 0.015 . 2 . . . . . . . . 5976 1 768 . 1 1 62 62 LEU CG C 13 27.035 0.2 . 1 . . . . . . . . 5976 1 769 . 1 1 62 62 LEU HG H 1 1.856 0.015 . 1 . . . . . . . . 5976 1 770 . 1 1 62 62 LEU HD11 H 1 0.908 0.015 . 2 . . . . . . . . 5976 1 771 . 1 1 62 62 LEU HD12 H 1 0.908 0.015 . 2 . . . . . . . . 5976 1 772 . 1 1 62 62 LEU HD13 H 1 0.908 0.015 . 2 . . . . . . . . 5976 1 773 . 1 1 62 62 LEU HD21 H 1 0.747 0.015 . 2 . . . . . . . . 5976 1 774 . 1 1 62 62 LEU HD22 H 1 0.747 0.015 . 2 . . . . . . . . 5976 1 775 . 1 1 62 62 LEU HD23 H 1 0.747 0.015 . 2 . . . . . . . . 5976 1 776 . 1 1 62 62 LEU CD1 C 13 25.147 0.2 . 2 . . . . . . . . 5976 1 777 . 1 1 62 62 LEU CD2 C 13 22.965 0.2 . 2 . . . . . . . . 5976 1 778 . 1 1 62 62 LEU C C 13 179.753 0.2 . 1 . . . . . . . . 5976 1 779 . 1 1 63 63 SER N N 15 113.934 0.1 . 1 . . . . . . . . 5976 1 780 . 1 1 63 63 SER H H 1 7.848 0.015 . 1 . . . . . . . . 5976 1 781 . 1 1 63 63 SER CA C 13 61.484 0.2 . 1 . . . . . . . . 5976 1 782 . 1 1 63 63 SER HA H 1 4.377 0.015 . 1 . . . . . . . . 5976 1 783 . 1 1 63 63 SER CB C 13 62.823 0.2 . 1 . . . . . . . . 5976 1 784 . 1 1 63 63 SER HB2 H 1 4.102 0.015 . 2 . . . . . . . . 5976 1 785 . 1 1 63 63 SER C C 13 177.051 0.2 . 1 . . . . . . . . 5976 1 786 . 1 1 64 64 ASP N N 15 123.232 0.1 . 1 . . . . . . . . 5976 1 787 . 1 1 64 64 ASP H H 1 8.622 0.015 . 1 . . . . . . . . 5976 1 788 . 1 1 64 64 ASP CA C 13 57.193 0.2 . 1 . . . . . . . . 5976 1 789 . 1 1 64 64 ASP HA H 1 4.501 0.015 . 1 . . . . . . . . 5976 1 790 . 1 1 64 64 ASP CB C 13 39.919 0.2 . 1 . . . . . . . . 5976 1 791 . 1 1 64 64 ASP HB2 H 1 2.702 0.015 . 2 . . . . . . . . 5976 1 792 . 1 1 64 64 ASP HB3 H 1 3.057 0.015 . 2 . . . . . . . . 5976 1 793 . 1 1 64 64 ASP C C 13 179.452 0.2 . 1 . . . . . . . . 5976 1 794 . 1 1 65 65 ALA N N 15 123.232 0.1 . 1 . . . . . . . . 5976 1 795 . 1 1 65 65 ALA H H 1 8.894 0.015 . 1 . . . . . . . . 5976 1 796 . 1 1 65 65 ALA CA C 13 55.405 0.2 . 1 . . . . . . . . 5976 1 797 . 1 1 65 65 ALA HA H 1 4.070 0.015 . 1 . . . . . . . . 5976 1 798 . 1 1 65 65 ALA HB1 H 1 1.466 0.015 . 1 . . . . . . . . 5976 1 799 . 1 1 65 65 ALA HB2 H 1 1.466 0.015 . 1 . . . . . . . . 5976 1 800 . 1 1 65 65 ALA HB3 H 1 1.466 0.015 . 1 . . . . . . . . 5976 1 801 . 1 1 65 65 ALA CB C 13 17.769 0.2 . 1 . . . . . . . . 5976 1 802 . 1 1 65 65 ALA C C 13 178.153 0.2 . 1 . . . . . . . . 5976 1 803 . 1 1 66 66 GLU N N 15 117.886 0.1 . 1 . . . . . . . . 5976 1 804 . 1 1 66 66 GLU H H 1 8.140 0.015 . 1 . . . . . . . . 5976 1 805 . 1 1 66 66 GLU CA C 13 60.071 0.2 . 1 . . . . . . . . 5976 1 806 . 1 1 66 66 GLU HA H 1 3.683 0.015 . 1 . . . . . . . . 5976 1 807 . 1 1 66 66 GLU CB C 13 29.614 0.2 . 1 . . . . . . . . 5976 1 808 . 1 1 66 66 GLU HB2 H 1 2.218 0.015 . 2 . . . . . . . . 5976 1 809 . 1 1 66 66 GLU HB3 H 1 2.294 0.015 . 2 . . . . . . . . 5976 1 810 . 1 1 66 66 GLU CG C 13 36.142 0.2 . 1 . . . . . . . . 5976 1 811 . 1 1 66 66 GLU HG2 H 1 2.132 0.015 . 2 . . . . . . . . 5976 1 812 . 1 1 66 66 GLU HG3 H 1 2.392 0.015 . 2 . . . . . . . . 5976 1 813 . 1 1 66 66 GLU C C 13 178.166 0.2 . 1 . . . . . . . . 5976 1 814 . 1 1 67 67 GLU N N 15 116.724 0.1 . 1 . . . . . . . . 5976 1 815 . 1 1 67 67 GLU H H 1 8.263 0.015 . 1 . . . . . . . . 5976 1 816 . 1 1 67 67 GLU CA C 13 58.986 0.2 . 1 . . . . . . . . 5976 1 817 . 1 1 67 67 GLU HA H 1 3.962 0.015 . 1 . . . . . . . . 5976 1 818 . 1 1 67 67 GLU CB C 13 29.368 0.2 . 1 . . . . . . . . 5976 1 819 . 1 1 67 67 GLU HB2 H 1 2.143 0.015 . 2 . . . . . . . . 5976 1 820 . 1 1 67 67 GLU HB3 H 1 2.177 0.015 . 2 . . . . . . . . 5976 1 821 . 1 1 67 67 GLU CG C 13 35.895 0.2 . 1 . . . . . . . . 5976 1 822 . 1 1 67 67 GLU HG2 H 1 2.453 0.015 . 2 . . . . . . . . 5976 1 823 . 1 1 67 67 GLU C C 13 178.730 0.2 . 1 . . . . . . . . 5976 1 824 . 1 1 68 68 ALA N N 15 120.210 0.1 . 1 . . . . . . . . 5976 1 825 . 1 1 68 68 ALA H H 1 8.211 0.015 . 1 . . . . . . . . 5976 1 826 . 1 1 68 68 ALA CA C 13 54.823 0.2 . 1 . . . . . . . . 5976 1 827 . 1 1 68 68 ALA HA H 1 4.077 0.015 . 1 . . . . . . . . 5976 1 828 . 1 1 68 68 ALA HB1 H 1 1.435 0.015 . 1 . . . . . . . . 5976 1 829 . 1 1 68 68 ALA HB2 H 1 1.435 0.015 . 1 . . . . . . . . 5976 1 830 . 1 1 68 68 ALA HB3 H 1 1.435 0.015 . 1 . . . . . . . . 5976 1 831 . 1 1 68 68 ALA CB C 13 17.807 0.2 . 1 . . . . . . . . 5976 1 832 . 1 1 68 68 ALA C C 13 180.711 0.2 . 1 . . . . . . . . 5976 1 833 . 1 1 69 69 ILE N N 15 117.886 0.1 . 1 . . . . . . . . 5976 1 834 . 1 1 69 69 ILE H H 1 7.923 0.015 . 1 . . . . . . . . 5976 1 835 . 1 1 69 69 ILE CA C 13 64.077 0.2 . 1 . . . . . . . . 5976 1 836 . 1 1 69 69 ILE HA H 1 3.636 0.015 . 1 . . . . . . . . 5976 1 837 . 1 1 69 69 ILE CB C 13 37.801 0.2 . 1 . . . . . . . . 5976 1 838 . 1 1 69 69 ILE HB H 1 1.863 0.015 . 1 . . . . . . . . 5976 1 839 . 1 1 69 69 ILE HG21 H 1 1.005 0.015 . 1 . . . . . . . . 5976 1 840 . 1 1 69 69 ILE HG22 H 1 1.005 0.015 . 1 . . . . . . . . 5976 1 841 . 1 1 69 69 ILE HG23 H 1 1.005 0.015 . 1 . . . . . . . . 5976 1 842 . 1 1 69 69 ILE CG2 C 13 19.123 0.2 . 1 . . . . . . . . 5976 1 843 . 1 1 69 69 ILE CG1 C 13 29.298 0.2 . 1 . . . . . . . . 5976 1 844 . 1 1 69 69 ILE HG12 H 1 0.851 0.015 . 2 . . . . . . . . 5976 1 845 . 1 1 69 69 ILE HG13 H 1 2.132 0.015 . 2 . . . . . . . . 5976 1 846 . 1 1 69 69 ILE HD11 H 1 0.750 0.015 . 1 . . . . . . . . 5976 1 847 . 1 1 69 69 ILE HD12 H 1 0.750 0.015 . 1 . . . . . . . . 5976 1 848 . 1 1 69 69 ILE HD13 H 1 0.750 0.015 . 1 . . . . . . . . 5976 1 849 . 1 1 69 69 ILE CD1 C 13 14.883 0.2 . 1 . . . . . . . . 5976 1 850 . 1 1 69 69 ILE C C 13 177.248 0.2 . 1 . . . . . . . . 5976 1 851 . 1 1 70 70 LYS N N 15 117.189 0.1 . 1 . . . . . . . . 5976 1 852 . 1 1 70 70 LYS H H 1 8.006 0.015 . 1 . . . . . . . . 5976 1 853 . 1 1 70 70 LYS CA C 13 58.759 0.2 . 1 . . . . . . . . 5976 1 854 . 1 1 70 70 LYS HA H 1 3.948 0.015 . 1 . . . . . . . . 5976 1 855 . 1 1 70 70 LYS CB C 13 32.451 0.2 . 1 . . . . . . . . 5976 1 856 . 1 1 70 70 LYS HB2 H 1 1.971 0.015 . 2 . . . . . . . . 5976 1 857 . 1 1 70 70 LYS CG C 13 26.365 0.2 . 1 . . . . . . . . 5976 1 858 . 1 1 70 70 LYS HG2 H 1 1.543 0.015 . 2 . . . . . . . . 5976 1 859 . 1 1 70 70 LYS HG3 H 1 1.775 0.015 . 2 . . . . . . . . 5976 1 860 . 1 1 70 70 LYS CD C 13 29.269 0.2 . 1 . . . . . . . . 5976 1 861 . 1 1 70 70 LYS HD2 H 1 1.768 0.015 . 2 . . . . . . . . 5976 1 862 . 1 1 70 70 LYS CE C 13 41.952 0.2 . 1 . . . . . . . . 5976 1 863 . 1 1 70 70 LYS HE2 H 1 2.975 0.015 . 2 . . . . . . . . 5976 1 864 . 1 1 70 70 LYS HE3 H 1 3.051 0.015 . 2 . . . . . . . . 5976 1 865 . 1 1 70 70 LYS C C 13 176.907 0.2 . 1 . . . . . . . . 5976 1 866 . 1 1 71 71 LYS N N 15 115.561 0.1 . 1 . . . . . . . . 5976 1 867 . 1 1 71 71 LYS H H 1 7.044 0.015 . 1 . . . . . . . . 5976 1 868 . 1 1 71 71 LYS CA C 13 56.734 0.2 . 1 . . . . . . . . 5976 1 869 . 1 1 71 71 LYS HA H 1 4.230 0.015 . 1 . . . . . . . . 5976 1 870 . 1 1 71 71 LYS CB C 13 32.539 0.2 . 1 . . . . . . . . 5976 1 871 . 1 1 71 71 LYS HB2 H 1 1.899 0.015 . 2 . . . . . . . . 5976 1 872 . 1 1 71 71 LYS HB3 H 1 2.073 0.015 . 2 . . . . . . . . 5976 1 873 . 1 1 71 71 LYS CG C 13 25.078 0.2 . 1 . . . . . . . . 5976 1 874 . 1 1 71 71 LYS HG2 H 1 1.572 0.015 . 2 . . . . . . . . 5976 1 875 . 1 1 71 71 LYS HG3 H 1 1.783 0.015 . 2 . . . . . . . . 5976 1 876 . 1 1 71 71 LYS CD C 13 28.996 0.2 . 1 . . . . . . . . 5976 1 877 . 1 1 71 71 LYS HD2 H 1 1.771 0.015 . 2 . . . . . . . . 5976 1 878 . 1 1 71 71 LYS CE C 13 41.968 0.2 . 1 . . . . . . . . 5976 1 879 . 1 1 71 71 LYS HE2 H 1 3.044 0.015 . 2 . . . . . . . . 5976 1 880 . 1 1 71 71 LYS C C 13 177.156 0.2 . 1 . . . . . . . . 5976 1 881 . 1 1 72 72 ILE N N 15 122.767 0.1 . 1 . . . . . . . . 5976 1 882 . 1 1 72 72 ILE H H 1 7.751 0.015 . 1 . . . . . . . . 5976 1 883 . 1 1 72 72 ILE CA C 13 62.128 0.2 . 1 . . . . . . . . 5976 1 884 . 1 1 72 72 ILE HA H 1 3.824 0.015 . 1 . . . . . . . . 5976 1 885 . 1 1 72 72 ILE CB C 13 37.654 0.2 . 1 . . . . . . . . 5976 1 886 . 1 1 72 72 ILE HB H 1 2.053 0.015 . 1 . . . . . . . . 5976 1 887 . 1 1 72 72 ILE HG21 H 1 0.937 0.015 . 1 . . . . . . . . 5976 1 888 . 1 1 72 72 ILE HG22 H 1 0.937 0.015 . 1 . . . . . . . . 5976 1 889 . 1 1 72 72 ILE HG23 H 1 0.937 0.015 . 1 . . . . . . . . 5976 1 890 . 1 1 72 72 ILE CG2 C 13 16.997 0.2 . 1 . . . . . . . . 5976 1 891 . 1 1 72 72 ILE CG1 C 13 26.809 0.2 . 1 . . . . . . . . 5976 1 892 . 1 1 72 72 ILE HG12 H 1 1.026 0.015 . 2 . . . . . . . . 5976 1 893 . 1 1 72 72 ILE HG13 H 1 1.894 0.015 . 2 . . . . . . . . 5976 1 894 . 1 1 72 72 ILE HD11 H 1 0.913 0.015 . 1 . . . . . . . . 5976 1 895 . 1 1 72 72 ILE HD12 H 1 0.913 0.015 . 1 . . . . . . . . 5976 1 896 . 1 1 72 72 ILE HD13 H 1 0.913 0.015 . 1 . . . . . . . . 5976 1 897 . 1 1 72 72 ILE CD1 C 13 15.563 0.2 . 1 . . . . . . . . 5976 1 898 . 1 1 72 72 ILE C C 13 176.304 0.2 . 1 . . . . . . . . 5976 1 899 . 1 1 73 73 GLU N N 15 130.438 0.1 . 1 . . . . . . . . 5976 1 900 . 1 1 73 73 GLU H H 1 8.600 0.015 . 1 . . . . . . . . 5976 1 901 . 1 1 73 73 GLU CA C 13 58.264 0.2 . 1 . . . . . . . . 5976 1 902 . 1 1 73 73 GLU HA H 1 4.030 0.015 . 1 . . . . . . . . 5976 1 903 . 1 1 73 73 GLU CB C 13 29.300 0.2 . 1 . . . . . . . . 5976 1 904 . 1 1 73 73 GLU HB2 H 1 1.953 0.015 . 2 . . . . . . . . 5976 1 905 . 1 1 73 73 GLU HB3 H 1 2.057 0.015 . 2 . . . . . . . . 5976 1 906 . 1 1 73 73 GLU CG C 13 35.928 0.2 . 1 . . . . . . . . 5976 1 907 . 1 1 73 73 GLU HG2 H 1 2.224 0.015 . 2 . . . . . . . . 5976 1 908 . 1 1 73 73 GLU HG3 H 1 2.365 0.015 . 2 . . . . . . . . 5976 1 909 . 1 1 73 73 GLU C C 13 176.304 0.2 . 1 . . . . . . . . 5976 1 910 . 1 1 74 74 GLY N N 15 112.540 0.1 . 1 . . . . . . . . 5976 1 911 . 1 1 74 74 GLY H H 1 8.600 0.015 . 1 . . . . . . . . 5976 1 912 . 1 1 74 74 GLY CA C 13 44.704 0.2 . 1 . . . . . . . . 5976 1 913 . 1 1 74 74 GLY HA2 H 1 3.645 0.015 . 2 . . . . . . . . 5976 1 914 . 1 1 74 74 GLY HA3 H 1 4.261 0.015 . 2 . . . . . . . . 5976 1 915 . 1 1 74 74 GLY C C 13 174.808 0.2 . 1 . . . . . . . . 5976 1 916 . 1 1 75 75 VAL N N 15 120.210 0.1 . 1 . . . . . . . . 5976 1 917 . 1 1 75 75 VAL H H 1 7.472 0.015 . 1 . . . . . . . . 5976 1 918 . 1 1 75 75 VAL CA C 13 63.935 0.2 . 1 . . . . . . . . 5976 1 919 . 1 1 75 75 VAL HA H 1 3.963 0.015 . 1 . . . . . . . . 5976 1 920 . 1 1 75 75 VAL CB C 13 32.440 0.2 . 1 . . . . . . . . 5976 1 921 . 1 1 75 75 VAL HB H 1 2.074 0.015 . 1 . . . . . . . . 5976 1 922 . 1 1 75 75 VAL HG11 H 1 1.052 0.015 . 2 . . . . . . . . 5976 1 923 . 1 1 75 75 VAL HG12 H 1 1.052 0.015 . 2 . . . . . . . . 5976 1 924 . 1 1 75 75 VAL HG13 H 1 1.052 0.015 . 2 . . . . . . . . 5976 1 925 . 1 1 75 75 VAL HG21 H 1 0.980 0.015 . 2 . . . . . . . . 5976 1 926 . 1 1 75 75 VAL HG22 H 1 0.980 0.015 . 2 . . . . . . . . 5976 1 927 . 1 1 75 75 VAL HG23 H 1 0.980 0.015 . 2 . . . . . . . . 5976 1 928 . 1 1 75 75 VAL CG1 C 13 23.968 0.2 . 2 . . . . . . . . 5976 1 929 . 1 1 75 75 VAL CG2 C 13 21.215 0.2 . 2 . . . . . . . . 5976 1 930 . 1 1 75 75 VAL C C 13 174.913 0.2 . 1 . . . . . . . . 5976 1 931 . 1 1 76 76 ASN N N 15 126.719 0.1 . 1 . . . . . . . . 5976 1 932 . 1 1 76 76 ASN H H 1 8.042 0.015 . 1 . . . . . . . . 5976 1 933 . 1 1 76 76 ASN CA C 13 52.489 0.2 . 1 . . . . . . . . 5976 1 934 . 1 1 76 76 ASN HA H 1 5.163 0.015 . 1 . . . . . . . . 5976 1 935 . 1 1 76 76 ASN CB C 13 38.584 0.2 . 1 . . . . . . . . 5976 1 936 . 1 1 76 76 ASN HB2 H 1 2.677 0.015 . 2 . . . . . . . . 5976 1 937 . 1 1 76 76 ASN HB3 H 1 2.950 0.015 . 2 . . . . . . . . 5976 1 938 . 1 1 76 76 ASN ND2 N 15 113.512 0.1 . 1 . . . . . . . . 5976 1 939 . 1 1 76 76 ASN HD21 H 1 8.035 0.015 . 2 . . . . . . . . 5976 1 940 . 1 1 76 76 ASN HD22 H 1 6.860 0.015 . 2 . . . . . . . . 5976 1 941 . 1 1 76 76 ASN C C 13 173.313 0.2 . 1 . . . . . . . . 5976 1 942 . 1 1 77 77 ASN N N 15 120.210 0.1 . 1 . . . . . . . . 5976 1 943 . 1 1 77 77 ASN H H 1 8.811 0.015 . 1 . . . . . . . . 5976 1 944 . 1 1 77 77 ASN CA C 13 53.566 0.2 . 1 . . . . . . . . 5976 1 945 . 1 1 77 77 ASN HA H 1 4.810 0.015 . 1 . . . . . . . . 5976 1 946 . 1 1 77 77 ASN CB C 13 39.605 0.2 . 1 . . . . . . . . 5976 1 947 . 1 1 77 77 ASN HB2 H 1 2.753 0.015 . 2 . . . . . . . . 5976 1 948 . 1 1 77 77 ASN HB3 H 1 2.812 0.015 . 2 . . . . . . . . 5976 1 949 . 1 1 77 77 ASN ND2 N 15 113.785 0.1 . 1 . . . . . . . . 5976 1 950 . 1 1 77 77 ASN HD21 H 1 7.508 0.015 . 2 . . . . . . . . 5976 1 951 . 1 1 77 77 ASN HD22 H 1 6.929 0.015 . 2 . . . . . . . . 5976 1 952 . 1 1 77 77 ASN C C 13 173.890 0.2 . 1 . . . . . . . . 5976 1 953 . 1 1 78 78 VAL N N 15 119.513 0.1 . 1 . . . . . . . . 5976 1 954 . 1 1 78 78 VAL H H 1 8.247 0.015 . 1 . . . . . . . . 5976 1 955 . 1 1 78 78 VAL CA C 13 61.080 0.2 . 1 . . . . . . . . 5976 1 956 . 1 1 78 78 VAL HA H 1 4.966 0.015 . 1 . . . . . . . . 5976 1 957 . 1 1 78 78 VAL CB C 13 35.768 0.2 . 1 . . . . . . . . 5976 1 958 . 1 1 78 78 VAL HB H 1 1.895 0.015 . 1 . . . . . . . . 5976 1 959 . 1 1 78 78 VAL HG11 H 1 0.907 0.015 . 2 . . . . . . . . 5976 1 960 . 1 1 78 78 VAL HG12 H 1 0.907 0.015 . 2 . . . . . . . . 5976 1 961 . 1 1 78 78 VAL HG13 H 1 0.907 0.015 . 2 . . . . . . . . 5976 1 962 . 1 1 78 78 VAL HG21 H 1 0.906 0.015 . 2 . . . . . . . . 5976 1 963 . 1 1 78 78 VAL HG22 H 1 0.906 0.015 . 2 . . . . . . . . 5976 1 964 . 1 1 78 78 VAL HG23 H 1 0.906 0.015 . 2 . . . . . . . . 5976 1 965 . 1 1 78 78 VAL CG1 C 13 21.522 0.2 . 2 . . . . . . . . 5976 1 966 . 1 1 78 78 VAL CG2 C 13 22.965 0.2 . 2 . . . . . . . . 5976 1 967 . 1 1 78 78 VAL C C 13 174.245 0.2 . 1 . . . . . . . . 5976 1 968 . 1 1 79 79 GLU N N 15 127.416 0.1 . 1 . . . . . . . . 5976 1 969 . 1 1 79 79 GLU H H 1 8.700 0.015 . 1 . . . . . . . . 5976 1 970 . 1 1 79 79 GLU CA C 13 54.792 0.2 . 1 . . . . . . . . 5976 1 971 . 1 1 79 79 GLU HA H 1 4.746 0.015 . 1 . . . . . . . . 5976 1 972 . 1 1 79 79 GLU CB C 13 33.477 0.2 . 1 . . . . . . . . 5976 1 973 . 1 1 79 79 GLU HB2 H 1 1.955 0.015 . 2 . . . . . . . . 5976 1 974 . 1 1 79 79 GLU HB3 H 1 2.026 0.015 . 2 . . . . . . . . 5976 1 975 . 1 1 79 79 GLU CG C 13 35.859 0.2 . 1 . . . . . . . . 5976 1 976 . 1 1 79 79 GLU HG2 H 1 2.159 0.015 . 2 . . . . . . . . 5976 1 977 . 1 1 79 79 GLU HG3 H 1 2.257 0.015 . 2 . . . . . . . . 5976 1 978 . 1 1 79 79 GLU C C 13 174.166 0.2 . 1 . . . . . . . . 5976 1 979 . 1 1 80 80 VAL N N 15 125.324 0.1 . 1 . . . . . . . . 5976 1 980 . 1 1 80 80 VAL H H 1 8.852 0.015 . 1 . . . . . . . . 5976 1 981 . 1 1 80 80 VAL CA C 13 60.746 0.2 . 1 . . . . . . . . 5976 1 982 . 1 1 80 80 VAL HA H 1 4.880 0.015 . 1 . . . . . . . . 5976 1 983 . 1 1 80 80 VAL CB C 13 32.512 0.2 . 1 . . . . . . . . 5976 1 984 . 1 1 80 80 VAL HB H 1 2.038 0.015 . 1 . . . . . . . . 5976 1 985 . 1 1 80 80 VAL HG11 H 1 0.811 0.015 . 2 . . . . . . . . 5976 1 986 . 1 1 80 80 VAL HG12 H 1 0.811 0.015 . 2 . . . . . . . . 5976 1 987 . 1 1 80 80 VAL HG13 H 1 0.811 0.015 . 2 . . . . . . . . 5976 1 988 . 1 1 80 80 VAL HG21 H 1 0.802 0.015 . 2 . . . . . . . . 5976 1 989 . 1 1 80 80 VAL HG22 H 1 0.802 0.015 . 2 . . . . . . . . 5976 1 990 . 1 1 80 80 VAL HG23 H 1 0.802 0.015 . 2 . . . . . . . . 5976 1 991 . 1 1 80 80 VAL CG1 C 13 22.241 0.2 . 2 . . . . . . . . 5976 1 992 . 1 1 80 80 VAL CG2 C 13 20.491 0.2 . 2 . . . . . . . . 5976 1 993 . 1 1 80 80 VAL C C 13 174.205 0.2 . 1 . . . . . . . . 5976 1 994 . 1 1 81 81 GLU N N 15 128.114 0.1 . 1 . . . . . . . . 5976 1 995 . 1 1 81 81 GLU H H 1 9.095 0.015 . 1 . . . . . . . . 5976 1 996 . 1 1 81 81 GLU CA C 13 54.125 0.2 . 1 . . . . . . . . 5976 1 997 . 1 1 81 81 GLU HA H 1 4.685 0.015 . 1 . . . . . . . . 5976 1 998 . 1 1 81 81 GLU CB C 13 33.250 0.2 . 1 . . . . . . . . 5976 1 999 . 1 1 81 81 GLU HB2 H 1 1.907 0.015 . 2 . . . . . . . . 5976 1 1000 . 1 1 81 81 GLU HB3 H 1 1.992 0.015 . 2 . . . . . . . . 5976 1 1001 . 1 1 81 81 GLU CG C 13 35.713 0.2 . 1 . . . . . . . . 5976 1 1002 . 1 1 81 81 GLU HG2 H 1 2.136 0.015 . 2 . . . . . . . . 5976 1 1003 . 1 1 81 81 GLU HG3 H 1 2.274 0.015 . 2 . . . . . . . . 5976 1 1004 . 1 1 81 81 GLU C C 13 173.654 0.2 . 1 . . . . . . . . 5976 1 1005 . 1 1 82 82 LEU N N 15 124.395 0.1 . 1 . . . . . . . . 5976 1 1006 . 1 1 82 82 LEU H H 1 8.391 0.015 . 1 . . . . . . . . 5976 1 1007 . 1 1 82 82 LEU CA C 13 53.027 0.2 . 1 . . . . . . . . 5976 1 1008 . 1 1 82 82 LEU HA H 1 5.146 0.015 . 1 . . . . . . . . 5976 1 1009 . 1 1 82 82 LEU CB C 13 44.111 0.2 . 1 . . . . . . . . 5976 1 1010 . 1 1 82 82 LEU HB2 H 1 1.500 0.015 . 2 . . . . . . . . 5976 1 1011 . 1 1 82 82 LEU CG C 13 26.525 0.2 . 1 . . . . . . . . 5976 1 1012 . 1 1 82 82 LEU HG H 1 1.315 0.015 . 1 . . . . . . . . 5976 1 1013 . 1 1 82 82 LEU HD11 H 1 0.858 0.015 . 2 . . . . . . . . 5976 1 1014 . 1 1 82 82 LEU HD12 H 1 0.858 0.015 . 2 . . . . . . . . 5976 1 1015 . 1 1 82 82 LEU HD13 H 1 0.858 0.015 . 2 . . . . . . . . 5976 1 1016 . 1 1 82 82 LEU HD21 H 1 0.851 0.015 . 2 . . . . . . . . 5976 1 1017 . 1 1 82 82 LEU HD22 H 1 0.851 0.015 . 2 . . . . . . . . 5976 1 1018 . 1 1 82 82 LEU HD23 H 1 0.851 0.015 . 2 . . . . . . . . 5976 1 1019 . 1 1 82 82 LEU CD1 C 13 25.464 0.2 . 2 . . . . . . . . 5976 1 1020 . 1 1 82 82 LEU CD2 C 13 23.965 0.2 . 2 . . . . . . . . 5976 1 1021 . 1 1 82 82 LEU C C 13 176.723 0.2 . 1 . . . . . . . . 5976 1 1022 . 1 1 83 83 THR N N 15 118.816 0.1 . 1 . . . . . . . . 5976 1 1023 . 1 1 83 83 THR H H 1 8.547 0.015 . 1 . . . . . . . . 5976 1 1024 . 1 1 83 83 THR CA C 13 58.961 0.2 . 1 . . . . . . . . 5976 1 1025 . 1 1 83 83 THR HA H 1 4.637 0.015 . 1 . . . . . . . . 5976 1 1026 . 1 1 83 83 THR CB C 13 70.213 0.2 . 1 . . . . . . . . 5976 1 1027 . 1 1 83 83 THR HB H 1 4.047 0.015 . 1 . . . . . . . . 5976 1 1028 . 1 1 83 83 THR HG21 H 1 0.938 0.015 . 1 . . . . . . . . 5976 1 1029 . 1 1 83 83 THR HG22 H 1 0.938 0.015 . 1 . . . . . . . . 5976 1 1030 . 1 1 83 83 THR HG23 H 1 0.938 0.015 . 1 . . . . . . . . 5976 1 1031 . 1 1 83 83 THR CG2 C 13 19.676 0.2 . 1 . . . . . . . . 5976 1 1032 . 1 1 83 83 THR C C 13 170.952 0.2 . 1 . . . . . . . . 5976 1 1033 . 1 1 84 84 PHE N N 15 123.232 0.1 . 1 . . . . . . . . 5976 1 1034 . 1 1 84 84 PHE H H 1 8.742 0.015 . 1 . . . . . . . . 5976 1 1035 . 1 1 84 84 PHE CA C 13 57.712 0.2 . 1 . . . . . . . . 5976 1 1036 . 1 1 84 84 PHE HA H 1 4.563 0.015 . 1 . . . . . . . . 5976 1 1037 . 1 1 84 84 PHE CB C 13 39.216 0.2 . 1 . . . . . . . . 5976 1 1038 . 1 1 84 84 PHE HB2 H 1 2.642 0.015 . 2 . . . . . . . . 5976 1 1039 . 1 1 84 84 PHE HB3 H 1 3.685 0.015 . 2 . . . . . . . . 5976 1 1040 . 1 1 84 84 PHE HD2 H 1 7.429 0.015 . 3 . . . . . . . . 5976 1 1041 . 1 1 84 84 PHE HE2 H 1 7.233 0.015 . 3 . . . . . . . . 5976 1 1042 . 1 1 84 84 PHE CD1 C 13 132.596 0.2 . 1 . . . . . . . . 5976 1 1043 . 1 1 84 84 PHE CE1 C 13 131.541 0.2 . 1 . . . . . . . . 5976 1 1044 . 1 1 84 84 PHE CZ C 13 129.432 0.2 . 1 . . . . . . . . 5976 1 1045 . 1 1 84 84 PHE HZ H 1 7.231 0.015 . 1 . . . . . . . . 5976 1 1046 . 1 1 84 84 PHE CE2 C 13 131.541 0.2 . 1 . . . . . . . . 5976 1 1047 . 1 1 84 84 PHE CD2 C 13 132.596 0.2 . 1 . . . . . . . . 5976 1 1048 . 1 1 84 84 PHE C C 13 172.880 0.2 . 1 . . . . . . . . 5976 1 1049 . 1 1 85 85 ASP N N 15 120.443 0.1 . 1 . . . . . . . . 5976 1 1050 . 1 1 85 85 ASP H H 1 8.040 0.015 . 1 . . . . . . . . 5976 1 1051 . 1 1 85 85 ASP CA C 13 50.519 0.2 . 1 . . . . . . . . 5976 1 1052 . 1 1 85 85 ASP HA H 1 5.192 0.015 . 1 . . . . . . . . 5976 1 1053 . 1 1 85 85 ASP CB C 13 43.762 0.2 . 1 . . . . . . . . 5976 1 1054 . 1 1 85 85 ASP HB2 H 1 2.534 0.015 . 2 . . . . . . . . 5976 1 1055 . 1 1 85 85 ASP HB3 H 1 2.805 0.015 . 2 . . . . . . . . 5976 1 1056 . 1 1 86 86 PRO CD C 13 49.800 0.2 . 1 . . . . . . . . 5976 1 1057 . 1 1 86 86 PRO CA C 13 62.168 0.2 . 1 . . . . . . . . 5976 1 1058 . 1 1 86 86 PRO HA H 1 5.406 0.015 . 1 . . . . . . . . 5976 1 1059 . 1 1 86 86 PRO CB C 13 32.863 0.2 . 1 . . . . . . . . 5976 1 1060 . 1 1 86 86 PRO HB2 H 1 2.156 0.015 . 2 . . . . . . . . 5976 1 1061 . 1 1 86 86 PRO HB3 H 1 2.433 0.015 . 2 . . . . . . . . 5976 1 1062 . 1 1 86 86 PRO CG C 13 24.341 0.2 . 1 . . . . . . . . 5976 1 1063 . 1 1 86 86 PRO HG2 H 1 1.702 0.015 . 2 . . . . . . . . 5976 1 1064 . 1 1 86 86 PRO HG3 H 1 1.865 0.015 . 2 . . . . . . . . 5976 1 1065 . 1 1 86 86 PRO HD2 H 1 3.391 0.015 . 2 . . . . . . . . 5976 1 1066 . 1 1 86 86 PRO HD3 H 1 3.532 0.015 . 2 . . . . . . . . 5976 1 1067 . 1 1 87 87 PRO CD C 13 50.199 0.2 . 1 . . . . . . . . 5976 1 1068 . 1 1 87 87 PRO CA C 13 62.875 0.2 . 1 . . . . . . . . 5976 1 1069 . 1 1 87 87 PRO HA H 1 4.669 0.015 . 1 . . . . . . . . 5976 1 1070 . 1 1 87 87 PRO CB C 13 31.786 0.2 . 1 . . . . . . . . 5976 1 1071 . 1 1 87 87 PRO HB2 H 1 2.116 0.015 . 2 . . . . . . . . 5976 1 1072 . 1 1 87 87 PRO HB3 H 1 2.586 0.015 . 2 . . . . . . . . 5976 1 1073 . 1 1 87 87 PRO CG C 13 27.462 0.2 . 1 . . . . . . . . 5976 1 1074 . 1 1 87 87 PRO HG2 H 1 2.250 0.015 . 2 . . . . . . . . 5976 1 1075 . 1 1 87 87 PRO HG3 H 1 2.294 0.015 . 2 . . . . . . . . 5976 1 1076 . 1 1 87 87 PRO HD2 H 1 3.812 0.015 . 2 . . . . . . . . 5976 1 1077 . 1 1 87 87 PRO HD3 H 1 4.077 0.015 . 2 . . . . . . . . 5976 1 1078 . 1 1 87 87 PRO C C 13 177.091 0.2 . 1 . . . . . . . . 5976 1 1079 . 1 1 88 88 TRP N N 15 126.487 0.1 . 1 . . . . . . . . 5976 1 1080 . 1 1 88 88 TRP H H 1 9.759 0.015 . 1 . . . . . . . . 5976 1 1081 . 1 1 88 88 TRP CA C 13 61.272 0.2 . 1 . . . . . . . . 5976 1 1082 . 1 1 88 88 TRP HA H 1 4.131 0.015 . 1 . . . . . . . . 5976 1 1083 . 1 1 88 88 TRP CB C 13 29.469 0.2 . 1 . . . . . . . . 5976 1 1084 . 1 1 88 88 TRP HB2 H 1 3.346 0.015 . 2 . . . . . . . . 5976 1 1085 . 1 1 88 88 TRP HB3 H 1 3.445 0.015 . 2 . . . . . . . . 5976 1 1086 . 1 1 88 88 TRP CD1 C 13 126.268 0.2 . 1 . . . . . . . . 5976 1 1087 . 1 1 88 88 TRP CE3 C 13 121.346 0.2 . 1 . . . . . . . . 5976 1 1088 . 1 1 88 88 TRP NE1 N 15 130.627 0.1 . 1 . . . . . . . . 5976 1 1089 . 1 1 88 88 TRP HD1 H 1 6.971 0.015 . 1 . . . . . . . . 5976 1 1090 . 1 1 88 88 TRP HE3 H 1 7.617 0.015 . 1 . . . . . . . . 5976 1 1091 . 1 1 88 88 TRP CZ3 C 13 121.346 0.2 . 1 . . . . . . . . 5976 1 1092 . 1 1 88 88 TRP CZ2 C 13 115.018 0.2 . 1 . . . . . . . . 5976 1 1093 . 1 1 88 88 TRP HE1 H 1 10.434 0.015 . 1 . . . . . . . . 5976 1 1094 . 1 1 88 88 TRP HZ3 H 1 7.134 0.015 . 1 . . . . . . . . 5976 1 1095 . 1 1 88 88 TRP CH2 C 13 123.455 0.2 . 1 . . . . . . . . 5976 1 1096 . 1 1 88 88 TRP HZ2 H 1 7.499 0.015 . 1 . . . . . . . . 5976 1 1097 . 1 1 88 88 TRP HH2 H 1 6.938 0.015 . 1 . . . . . . . . 5976 1 1098 . 1 1 88 88 TRP C C 13 176.291 0.2 . 1 . . . . . . . . 5976 1 1099 . 1 1 89 89 THR N N 15 115.794 0.1 . 1 . . . . . . . . 5976 1 1100 . 1 1 89 89 THR H H 1 6.078 0.015 . 1 . . . . . . . . 5976 1 1101 . 1 1 89 89 THR CA C 13 58.168 0.2 . 1 . . . . . . . . 5976 1 1102 . 1 1 89 89 THR HA H 1 4.612 0.015 . 1 . . . . . . . . 5976 1 1103 . 1 1 89 89 THR CB C 13 69.873 0.2 . 1 . . . . . . . . 5976 1 1104 . 1 1 89 89 THR HB H 1 4.354 0.015 . 1 . . . . . . . . 5976 1 1105 . 1 1 89 89 THR HG21 H 1 1.217 0.015 . 1 . . . . . . . . 5976 1 1106 . 1 1 89 89 THR HG22 H 1 1.217 0.015 . 1 . . . . . . . . 5976 1 1107 . 1 1 89 89 THR HG23 H 1 1.217 0.015 . 1 . . . . . . . . 5976 1 1108 . 1 1 89 89 THR CG2 C 13 21.388 0.2 . 1 . . . . . . . . 5976 1 1109 . 1 1 90 90 PRO CD C 13 50.581 0.2 . 1 . . . . . . . . 5976 1 1110 . 1 1 90 90 PRO CA C 13 63.975 0.2 . 1 . . . . . . . . 5976 1 1111 . 1 1 90 90 PRO HA H 1 3.681 0.015 . 1 . . . . . . . . 5976 1 1112 . 1 1 90 90 PRO CB C 13 31.658 0.2 . 1 . . . . . . . . 5976 1 1113 . 1 1 90 90 PRO HB2 H 1 1.859 0.015 . 2 . . . . . . . . 5976 1 1114 . 1 1 90 90 PRO HB3 H 1 2.213 0.015 . 2 . . . . . . . . 5976 1 1115 . 1 1 90 90 PRO CG C 13 27.214 0.2 . 1 . . . . . . . . 5976 1 1116 . 1 1 90 90 PRO HG2 H 1 1.951 0.015 . 2 . . . . . . . . 5976 1 1117 . 1 1 90 90 PRO HG3 H 1 2.096 0.015 . 2 . . . . . . . . 5976 1 1118 . 1 1 90 90 PRO HD2 H 1 3.676 0.015 . 2 . . . . . . . . 5976 1 1119 . 1 1 90 90 PRO C C 13 176.553 0.2 . 1 . . . . . . . . 5976 1 1120 . 1 1 91 91 GLU N N 15 115.794 0.1 . 1 . . . . . . . . 5976 1 1121 . 1 1 91 91 GLU H H 1 7.496 0.015 . 1 . . . . . . . . 5976 1 1122 . 1 1 91 91 GLU CA C 13 58.289 0.2 . 1 . . . . . . . . 5976 1 1123 . 1 1 91 91 GLU HA H 1 3.875 0.015 . 1 . . . . . . . . 5976 1 1124 . 1 1 91 91 GLU CB C 13 28.939 0.2 . 1 . . . . . . . . 5976 1 1125 . 1 1 91 91 GLU HB2 H 1 1.784 0.015 . 2 . . . . . . . . 5976 1 1126 . 1 1 91 91 GLU HB3 H 1 1.953 0.015 . 2 . . . . . . . . 5976 1 1127 . 1 1 91 91 GLU CG C 13 36.326 0.2 . 1 . . . . . . . . 5976 1 1128 . 1 1 91 91 GLU HG2 H 1 2.194 0.015 . 2 . . . . . . . . 5976 1 1129 . 1 1 91 91 GLU HG3 H 1 2.250 0.015 . 2 . . . . . . . . 5976 1 1130 . 1 1 91 91 GLU C C 13 176.946 0.2 . 1 . . . . . . . . 5976 1 1131 . 1 1 92 92 ARG N N 15 115.329 0.1 . 1 . . . . . . . . 5976 1 1132 . 1 1 92 92 ARG H H 1 7.635 0.015 . 1 . . . . . . . . 5976 1 1133 . 1 1 92 92 ARG CA C 13 56.451 0.2 . 1 . . . . . . . . 5976 1 1134 . 1 1 92 92 ARG HA H 1 4.120 0.015 . 1 . . . . . . . . 5976 1 1135 . 1 1 92 92 ARG CB C 13 30.476 0.2 . 1 . . . . . . . . 5976 1 1136 . 1 1 92 92 ARG HB2 H 1 1.783 0.015 . 2 . . . . . . . . 5976 1 1137 . 1 1 92 92 ARG HB3 H 1 2.312 0.015 . 2 . . . . . . . . 5976 1 1138 . 1 1 92 92 ARG CG C 13 27.837 0.2 . 1 . . . . . . . . 5976 1 1139 . 1 1 92 92 ARG HG2 H 1 1.652 0.015 . 2 . . . . . . . . 5976 1 1140 . 1 1 92 92 ARG HG3 H 1 1.743 0.015 . 2 . . . . . . . . 5976 1 1141 . 1 1 92 92 ARG CD C 13 42.636 0.2 . 1 . . . . . . . . 5976 1 1142 . 1 1 92 92 ARG HD2 H 1 3.378 0.015 . 2 . . . . . . . . 5976 1 1143 . 1 1 92 92 ARG HD3 H 1 3.423 0.015 . 2 . . . . . . . . 5976 1 1144 . 1 1 92 92 ARG NE N 15 84.356 0.1 . 1 . . . . . . . . 5976 1 1145 . 1 1 92 92 ARG HE H 1 7.629 0.015 . 1 . . . . . . . . 5976 1 1146 . 1 1 92 92 ARG C C 13 176.881 0.2 . 1 . . . . . . . . 5976 1 1147 . 1 1 93 93 MET N N 15 116.956 0.1 . 1 . . . . . . . . 5976 1 1148 . 1 1 93 93 MET H H 1 7.472 0.015 . 1 . . . . . . . . 5976 1 1149 . 1 1 93 93 MET CA C 13 56.150 0.2 . 1 . . . . . . . . 5976 1 1150 . 1 1 93 93 MET HA H 1 4.423 0.015 . 1 . . . . . . . . 5976 1 1151 . 1 1 93 93 MET CB C 13 35.197 0.2 . 1 . . . . . . . . 5976 1 1152 . 1 1 93 93 MET HB2 H 1 2.319 0.015 . 2 . . . . . . . . 5976 1 1153 . 1 1 93 93 MET CG C 13 32.477 0.2 . 1 . . . . . . . . 5976 1 1154 . 1 1 93 93 MET HG2 H 1 2.932 0.015 . 2 . . . . . . . . 5976 1 1155 . 1 1 93 93 MET HE1 H 1 2.050 0.015 . 1 . . . . . . . . 5976 1 1156 . 1 1 93 93 MET HE2 H 1 2.050 0.015 . 1 . . . . . . . . 5976 1 1157 . 1 1 93 93 MET HE3 H 1 2.050 0.015 . 1 . . . . . . . . 5976 1 1158 . 1 1 93 93 MET CE C 13 16.272 0.2 . 1 . . . . . . . . 5976 1 1159 . 1 1 93 93 MET C C 13 175.425 0.2 . 1 . . . . . . . . 5976 1 1160 . 1 1 94 94 SER N N 15 117.189 0.1 . 1 . . . . . . . . 5976 1 1161 . 1 1 94 94 SER H H 1 8.718 0.015 . 1 . . . . . . . . 5976 1 1162 . 1 1 94 94 SER CA C 13 56.850 0.2 . 1 . . . . . . . . 5976 1 1163 . 1 1 94 94 SER HA H 1 4.722 0.015 . 1 . . . . . . . . 5976 1 1164 . 1 1 94 94 SER CB C 13 62.864 0.2 . 1 . . . . . . . . 5976 1 1165 . 1 1 94 94 SER HB2 H 1 4.217 0.015 . 2 . . . . . . . . 5976 1 1166 . 1 1 94 94 SER HB3 H 1 4.404 0.015 . 2 . . . . . . . . 5976 1 1167 . 1 1 95 95 PRO CD C 13 50.413 0.2 . 1 . . . . . . . . 5976 1 1168 . 1 1 95 95 PRO CA C 13 65.949 0.2 . 1 . . . . . . . . 5976 1 1169 . 1 1 95 95 PRO HA H 1 4.168 0.015 . 1 . . . . . . . . 5976 1 1170 . 1 1 95 95 PRO CB C 13 31.695 0.2 . 1 . . . . . . . . 5976 1 1171 . 1 1 95 95 PRO HB2 H 1 2.069 0.015 . 2 . . . . . . . . 5976 1 1172 . 1 1 95 95 PRO HB3 H 1 2.470 0.015 . 2 . . . . . . . . 5976 1 1173 . 1 1 95 95 PRO CG C 13 27.490 0.2 . 1 . . . . . . . . 5976 1 1174 . 1 1 95 95 PRO HG2 H 1 2.152 0.015 . 2 . . . . . . . . 5976 1 1175 . 1 1 95 95 PRO HG3 H 1 2.296 0.015 . 2 . . . . . . . . 5976 1 1176 . 1 1 95 95 PRO HD2 H 1 4.020 0.015 . 2 . . . . . . . . 5976 1 1177 . 1 1 95 95 PRO C C 13 178.874 0.2 . 1 . . . . . . . . 5976 1 1178 . 1 1 96 96 GLU N N 15 116.956 0.1 . 1 . . . . . . . . 5976 1 1179 . 1 1 96 96 GLU H H 1 9.060 0.015 . 1 . . . . . . . . 5976 1 1180 . 1 1 96 96 GLU CA C 13 59.370 0.2 . 1 . . . . . . . . 5976 1 1181 . 1 1 96 96 GLU HA H 1 4.216 0.015 . 1 . . . . . . . . 5976 1 1182 . 1 1 96 96 GLU CB C 13 28.468 0.2 . 1 . . . . . . . . 5976 1 1183 . 1 1 96 96 GLU HB2 H 1 2.125 0.015 . 1 . . . . . . . . 5976 1 1184 . 1 1 96 96 GLU HB3 H 1 2.125 0.015 . 1 . . . . . . . . 5976 1 1185 . 1 1 96 96 GLU CG C 13 36.005 0.2 . 1 . . . . . . . . 5976 1 1186 . 1 1 96 96 GLU HG2 H 1 2.395 0.015 . 2 . . . . . . . . 5976 1 1187 . 1 1 96 96 GLU C C 13 178.848 0.2 . 1 . . . . . . . . 5976 1 1188 . 1 1 97 97 LEU N N 15 120.908 0.1 . 1 . . . . . . . . 5976 1 1189 . 1 1 97 97 LEU H H 1 7.692 0.015 . 1 . . . . . . . . 5976 1 1190 . 1 1 97 97 LEU CA C 13 56.851 0.2 . 1 . . . . . . . . 5976 1 1191 . 1 1 97 97 LEU HA H 1 4.348 0.015 . 1 . . . . . . . . 5976 1 1192 . 1 1 97 97 LEU CB C 13 42.349 0.2 . 1 . . . . . . . . 5976 1 1193 . 1 1 97 97 LEU HB2 H 1 1.835 0.015 . 2 . . . . . . . . 5976 1 1194 . 1 1 97 97 LEU HB3 H 1 2.092 0.015 . 2 . . . . . . . . 5976 1 1195 . 1 1 97 97 LEU CG C 13 27.412 0.2 . 1 . . . . . . . . 5976 1 1196 . 1 1 97 97 LEU HG H 1 1.860 0.015 . 1 . . . . . . . . 5976 1 1197 . 1 1 97 97 LEU HD11 H 1 1.111 0.015 . 2 . . . . . . . . 5976 1 1198 . 1 1 97 97 LEU HD12 H 1 1.111 0.015 . 2 . . . . . . . . 5976 1 1199 . 1 1 97 97 LEU HD13 H 1 1.111 0.015 . 2 . . . . . . . . 5976 1 1200 . 1 1 97 97 LEU HD21 H 1 1.054 0.015 . 2 . . . . . . . . 5976 1 1201 . 1 1 97 97 LEU HD22 H 1 1.054 0.015 . 2 . . . . . . . . 5976 1 1202 . 1 1 97 97 LEU HD23 H 1 1.054 0.015 . 2 . . . . . . . . 5976 1 1203 . 1 1 97 97 LEU CD1 C 13 25.809 0.2 . 2 . . . . . . . . 5976 1 1204 . 1 1 97 97 LEU CD2 C 13 23.655 0.2 . 2 . . . . . . . . 5976 1 1205 . 1 1 97 97 LEU C C 13 178.914 0.2 . 1 . . . . . . . . 5976 1 1206 . 1 1 98 98 ARG N N 15 119.513 0.1 . 1 . . . . . . . . 5976 1 1207 . 1 1 98 98 ARG H H 1 8.354 0.015 . 1 . . . . . . . . 5976 1 1208 . 1 1 98 98 ARG CA C 13 60.469 0.2 . 1 . . . . . . . . 5976 1 1209 . 1 1 98 98 ARG HA H 1 3.993 0.015 . 1 . . . . . . . . 5976 1 1210 . 1 1 98 98 ARG CB C 13 29.591 0.2 . 1 . . . . . . . . 5976 1 1211 . 1 1 98 98 ARG HB2 H 1 1.920 0.015 . 2 . . . . . . . . 5976 1 1212 . 1 1 98 98 ARG HB3 H 1 2.134 0.015 . 2 . . . . . . . . 5976 1 1213 . 1 1 98 98 ARG CG C 13 28.040 0.2 . 1 . . . . . . . . 5976 1 1214 . 1 1 98 98 ARG HG2 H 1 1.471 0.015 . 2 . . . . . . . . 5976 1 1215 . 1 1 98 98 ARG HG3 H 1 1.918 0.015 . 2 . . . . . . . . 5976 1 1216 . 1 1 98 98 ARG CD C 13 43.336 0.2 . 1 . . . . . . . . 5976 1 1217 . 1 1 98 98 ARG HD2 H 1 3.183 0.015 . 2 . . . . . . . . 5976 1 1218 . 1 1 98 98 ARG HD3 H 1 3.284 0.015 . 2 . . . . . . . . 5976 1 1219 . 1 1 98 98 ARG NE N 15 84.691 0.1 . 1 . . . . . . . . 5976 1 1220 . 1 1 98 98 ARG HE H 1 7.499 0.015 . 1 . . . . . . . . 5976 1 1221 . 1 1 98 98 ARG C C 13 178.861 0.2 . 1 . . . . . . . . 5976 1 1222 . 1 1 99 99 GLU N N 15 116.956 0.1 . 1 . . . . . . . . 5976 1 1223 . 1 1 99 99 GLU H H 1 7.979 0.015 . 1 . . . . . . . . 5976 1 1224 . 1 1 99 99 GLU CA C 13 58.612 0.2 . 1 . . . . . . . . 5976 1 1225 . 1 1 99 99 GLU HA H 1 4.181 0.015 . 1 . . . . . . . . 5976 1 1226 . 1 1 99 99 GLU CB C 13 26.781 0.2 . 1 . . . . . . . . 5976 1 1227 . 1 1 99 99 GLU HB2 H 1 2.135 0.015 . 2 . . . . . . . . 5976 1 1228 . 1 1 99 99 GLU CG C 13 35.969 0.2 . 1 . . . . . . . . 5976 1 1229 . 1 1 99 99 GLU HG2 H 1 2.301 0.015 . 2 . . . . . . . . 5976 1 1230 . 1 1 99 99 GLU HG3 H 1 2.392 0.015 . 2 . . . . . . . . 5976 1 1231 . 1 1 99 99 GLU C C 13 178.363 0.2 . 1 . . . . . . . . 5976 1 1232 . 1 1 100 100 LYS N N 15 119.281 0.1 . 1 . . . . . . . . 5976 1 1233 . 1 1 100 100 LYS H H 1 7.605 0.015 . 1 . . . . . . . . 5976 1 1234 . 1 1 100 100 LYS CA C 13 58.370 0.2 . 1 . . . . . . . . 5976 1 1235 . 1 1 100 100 LYS HA H 1 4.061 0.015 . 1 . . . . . . . . 5976 1 1236 . 1 1 100 100 LYS CB C 13 32.497 0.2 . 1 . . . . . . . . 5976 1 1237 . 1 1 100 100 LYS HB2 H 1 1.712 0.015 . 2 . . . . . . . . 5976 1 1238 . 1 1 100 100 LYS HB3 H 1 1.857 0.015 . 2 . . . . . . . . 5976 1 1239 . 1 1 100 100 LYS CG C 13 24.336 0.2 . 1 . . . . . . . . 5976 1 1240 . 1 1 100 100 LYS HG2 H 1 0.994 0.015 . 2 . . . . . . . . 5976 1 1241 . 1 1 100 100 LYS HG3 H 1 1.332 0.015 . 2 . . . . . . . . 5976 1 1242 . 1 1 100 100 LYS CD C 13 28.853 0.2 . 1 . . . . . . . . 5976 1 1243 . 1 1 100 100 LYS HD2 H 1 1.543 0.015 . 2 . . . . . . . . 5976 1 1244 . 1 1 100 100 LYS CE C 13 41.808 0.2 . 1 . . . . . . . . 5976 1 1245 . 1 1 100 100 LYS HE2 H 1 2.923 0.015 . 2 . . . . . . . . 5976 1 1246 . 1 1 100 100 LYS C C 13 177.655 0.2 . 1 . . . . . . . . 5976 1 1247 . 1 1 101 101 PHE N N 15 115.794 0.1 . 1 . . . . . . . . 5976 1 1248 . 1 1 101 101 PHE H H 1 8.041 0.015 . 1 . . . . . . . . 5976 1 1249 . 1 1 101 101 PHE CA C 13 58.550 0.2 . 1 . . . . . . . . 5976 1 1250 . 1 1 101 101 PHE HA H 1 4.659 0.015 . 1 . . . . . . . . 5976 1 1251 . 1 1 101 101 PHE CB C 13 39.538 0.2 . 1 . . . . . . . . 5976 1 1252 . 1 1 101 101 PHE HB2 H 1 2.840 0.015 . 2 . . . . . . . . 5976 1 1253 . 1 1 101 101 PHE HB3 H 1 3.357 0.015 . 2 . . . . . . . . 5976 1 1254 . 1 1 101 101 PHE HE1 H 1 7.453 0.015 . 3 . . . . . . . . 5976 1 1255 . 1 1 101 101 PHE HD1 H 1 7.453 0.015 . 3 . . . . . . . . 5976 1 1256 . 1 1 101 101 PHE HZ H 1 7.453 0.015 . 1 . . . . . . . . 5976 1 1257 . 1 1 101 101 PHE CD1 C 13 132.245 0.2 . 1 . . . . . . . . 5976 1 1258 . 1 1 101 101 PHE CE1 C 13 132.245 0.2 . 1 . . . . . . . . 5976 1 1259 . 1 1 101 101 PHE CZ C 13 132.245 0.2 . 1 . . . . . . . . 5976 1 1260 . 1 1 101 101 PHE CE2 C 13 132.245 0.2 . 1 . . . . . . . . 5976 1 1261 . 1 1 101 101 PHE CD2 C 13 132.245 0.2 . 1 . . . . . . . . 5976 1 1262 . 1 1 101 101 PHE C C 13 175.910 0.2 . 1 . . . . . . . . 5976 1 1263 . 1 1 102 102 GLY N N 15 110.448 0.1 . 1 . . . . . . . . 5976 1 1264 . 1 1 102 102 GLY H H 1 8.008 0.015 . 1 . . . . . . . . 5976 1 1265 . 1 1 102 102 GLY CA C 13 46.765 0.2 . 1 . . . . . . . . 5976 1 1266 . 1 1 102 102 GLY HA2 H 1 4.016 0.015 . 2 . . . . . . . . 5976 1 1267 . 1 1 102 102 GLY C C 13 173.917 0.2 . 1 . . . . . . . . 5976 1 1268 . 1 1 103 103 VAL N N 15 121.140 0.1 . 1 . . . . . . . . 5976 1 1269 . 1 1 103 103 VAL H H 1 7.699 0.015 . 1 . . . . . . . . 5976 1 1270 . 1 1 103 103 VAL CA C 13 62.460 0.2 . 1 . . . . . . . . 5976 1 1271 . 1 1 103 103 VAL HA H 1 4.229 0.015 . 1 . . . . . . . . 5976 1 1272 . 1 1 103 103 VAL CB C 13 33.423 0.2 . 1 . . . . . . . . 5976 1 1273 . 1 1 103 103 VAL HB H 1 2.160 0.015 . 1 . . . . . . . . 5976 1 1274 . 1 1 103 103 VAL HG11 H 1 0.889 0.015 . 2 . . . . . . . . 5976 1 1275 . 1 1 103 103 VAL HG12 H 1 0.889 0.015 . 2 . . . . . . . . 5976 1 1276 . 1 1 103 103 VAL HG13 H 1 0.889 0.015 . 2 . . . . . . . . 5976 1 1277 . 1 1 103 103 VAL HG21 H 1 0.880 0.015 . 2 . . . . . . . . 5976 1 1278 . 1 1 103 103 VAL HG22 H 1 0.880 0.015 . 2 . . . . . . . . 5976 1 1279 . 1 1 103 103 VAL HG23 H 1 0.880 0.015 . 2 . . . . . . . . 5976 1 1280 . 1 1 103 103 VAL CG1 C 13 21.536 0.2 . 2 . . . . . . . . 5976 1 1281 . 1 1 103 103 VAL CG2 C 13 19.965 0.2 . 2 . . . . . . . . 5976 1 stop_ save_