data_6338 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6338 _Entry.Title ; NMR solution structure of At1g77540 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-05 _Entry.Accession_date 2004-10-05 _Entry.Last_release_date . _Entry.Original_release_date . _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 Robert Tyler . C. . 6338 2 Shanteri Singh . . . 6338 3 Marco Tonelli . . . 6338 4 Min Lee . . . 6338 5 John Markley . L. . 6338 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6338 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 525 6338 '13C chemical shifts' 367 6338 '15N chemical shifts' 95 6338 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 . . 2007-11-09 . update BMRB 'complete the entry citation' 6338 2 . . 2005-12-28 . original author 'original release' 6338 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6338 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17128971 _Citation.Full_citation . _Citation.Title 'Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 48 _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 14325 _Citation.Page_last 14336 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Tyler . C. . 6338 1 2 Eduard Bitto . . . 6338 1 3 Christopher Berndsen . E. . 6338 1 4 Craig Bingman . A. . 6338 1 5 Shanteri Singh . . . 6338 1 6 Min Lee . S. . 6338 1 7 Gary Wesenberg . E. . 6338 1 8 John Denu . M. . 6338 1 9 George Phillips . N. Jr. 6338 1 10 John Markley . L. . 6338 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_At1g77540 _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_At1g77540 _Assembly.Entry_ID 6338 _Assembly.ID 1 _Assembly.Name At1g77540 _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 6338 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 At1g77540 1 $At1g77540 . . . native . . . . . 6338 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID At1g77540 system 6338 1 At1g77540 abbreviation 6338 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_At1g77540 _Entity.Sf_category entity _Entity.Sf_framecode At1g77540 _Entity.Entry_ID 6338 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name At1g77540 _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 ; MATEPPKIVWNEGKRRFETE DHEAFIEYKMRNNGKVMDLV HTYVPSFKRGLGLASHLCVA AFEHASSHSISIIPSCSYVS DTFLPRNPSWKPLIHSEVFK SSI ; _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 1XMT . "X-ray Structure Of Gene Product From Arabidopsis Thaliana At1g77540" . . . . . 99.03 103 100.00 100.00 1.10e-68 . . . . 6338 1 2 no PDB 2EVN . "Nmr Solution Structures Of At1g77540" . . . . . 100.00 103 100.00 100.00 1.15e-69 . . . . 6338 1 3 no PDB 2IL4 . "Crystal Structure Of At1g77540-Coenzyme A Complex" . . . . . 100.00 103 100.00 100.00 1.15e-69 . . . . 6338 1 4 no PDB 2Q44 . "Ensemble Refinement Of The Protein Crystal Structure Of Gene Product From Arabidopsis Thaliana At1g77540" . . . . . 99.03 103 100.00 100.00 1.10e-68 . . . . 6338 1 5 no PDB 2Q4Y . "Ensemble Refinement Of The Protein Crystal Structure Of At1g77540- Coenzyme A Complex" . . . . . 100.00 103 100.00 100.00 1.15e-69 . . . . 6338 1 6 no GB AAG51659 . "unknown protein; 48670-48283 [Arabidopsis thaliana]" . . . . . 100.00 103 100.00 100.00 1.15e-69 . . . . 6338 1 7 no GB AAM62568 . "unknown [Arabidopsis thaliana]" . . . . . 100.00 114 100.00 100.00 3.53e-70 . . . . 6338 1 8 no GB ABD38887 . "At1g77540 [Arabidopsis thaliana]" . . . . . 100.00 114 100.00 100.00 3.53e-70 . . . . 6338 1 9 no GB AEE35991 . "H3/H4 histone acetyltransferase [Arabidopsis thaliana]" . . . . . 100.00 114 100.00 100.00 3.53e-70 . . . . 6338 1 10 no REF NP_565157 . "H3/H4 histone acetyltransferase [Arabidopsis thaliana]" . . . . . 100.00 114 100.00 100.00 3.53e-70 . . . . 6338 1 11 no SP Q9CAQ2 . "RecName: Full=Acetyltransferase At1g77540; AltName: Full=Minimal acetyltransferase [Arabidopsis thaliana]" . . . . . 100.00 114 100.00 100.00 3.53e-70 . . . . 6338 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID At1g77540 common 6338 1 At1g77540 abbreviation 6338 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6338 1 2 . ALA . 6338 1 3 . THR . 6338 1 4 . GLU . 6338 1 5 . PRO . 6338 1 6 . PRO . 6338 1 7 . LYS . 6338 1 8 . ILE . 6338 1 9 . VAL . 6338 1 10 . TRP . 6338 1 11 . ASN . 6338 1 12 . GLU . 6338 1 13 . GLY . 6338 1 14 . LYS . 6338 1 15 . ARG . 6338 1 16 . ARG . 6338 1 17 . PHE . 6338 1 18 . GLU . 6338 1 19 . THR . 6338 1 20 . GLU . 6338 1 21 . ASP . 6338 1 22 . HIS . 6338 1 23 . GLU . 6338 1 24 . ALA . 6338 1 25 . PHE . 6338 1 26 . ILE . 6338 1 27 . GLU . 6338 1 28 . TYR . 6338 1 29 . LYS . 6338 1 30 . MET . 6338 1 31 . ARG . 6338 1 32 . ASN . 6338 1 33 . ASN . 6338 1 34 . GLY . 6338 1 35 . LYS . 6338 1 36 . VAL . 6338 1 37 . MET . 6338 1 38 . ASP . 6338 1 39 . LEU . 6338 1 40 . VAL . 6338 1 41 . HIS . 6338 1 42 . THR . 6338 1 43 . TYR . 6338 1 44 . VAL . 6338 1 45 . PRO . 6338 1 46 . SER . 6338 1 47 . PHE . 6338 1 48 . LYS . 6338 1 49 . ARG . 6338 1 50 . GLY . 6338 1 51 . LEU . 6338 1 52 . GLY . 6338 1 53 . LEU . 6338 1 54 . ALA . 6338 1 55 . SER . 6338 1 56 . HIS . 6338 1 57 . LEU . 6338 1 58 . CYS . 6338 1 59 . VAL . 6338 1 60 . ALA . 6338 1 61 . ALA . 6338 1 62 . PHE . 6338 1 63 . GLU . 6338 1 64 . HIS . 6338 1 65 . ALA . 6338 1 66 . SER . 6338 1 67 . SER . 6338 1 68 . HIS . 6338 1 69 . SER . 6338 1 70 . ILE . 6338 1 71 . SER . 6338 1 72 . ILE . 6338 1 73 . ILE . 6338 1 74 . PRO . 6338 1 75 . SER . 6338 1 76 . CYS . 6338 1 77 . SER . 6338 1 78 . TYR . 6338 1 79 . VAL . 6338 1 80 . SER . 6338 1 81 . ASP . 6338 1 82 . THR . 6338 1 83 . PHE . 6338 1 84 . LEU . 6338 1 85 . PRO . 6338 1 86 . ARG . 6338 1 87 . ASN . 6338 1 88 . PRO . 6338 1 89 . SER . 6338 1 90 . TRP . 6338 1 91 . LYS . 6338 1 92 . PRO . 6338 1 93 . LEU . 6338 1 94 . ILE . 6338 1 95 . HIS . 6338 1 96 . SER . 6338 1 97 . GLU . 6338 1 98 . VAL . 6338 1 99 . PHE . 6338 1 100 . LYS . 6338 1 101 . SER . 6338 1 102 . SER . 6338 1 103 . ILE . 6338 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6338 1 . ALA 2 2 6338 1 . THR 3 3 6338 1 . GLU 4 4 6338 1 . PRO 5 5 6338 1 . PRO 6 6 6338 1 . LYS 7 7 6338 1 . ILE 8 8 6338 1 . VAL 9 9 6338 1 . TRP 10 10 6338 1 . ASN 11 11 6338 1 . GLU 12 12 6338 1 . GLY 13 13 6338 1 . LYS 14 14 6338 1 . ARG 15 15 6338 1 . ARG 16 16 6338 1 . PHE 17 17 6338 1 . GLU 18 18 6338 1 . THR 19 19 6338 1 . GLU 20 20 6338 1 . ASP 21 21 6338 1 . HIS 22 22 6338 1 . GLU 23 23 6338 1 . ALA 24 24 6338 1 . PHE 25 25 6338 1 . ILE 26 26 6338 1 . GLU 27 27 6338 1 . TYR 28 28 6338 1 . LYS 29 29 6338 1 . MET 30 30 6338 1 . ARG 31 31 6338 1 . ASN 32 32 6338 1 . ASN 33 33 6338 1 . GLY 34 34 6338 1 . LYS 35 35 6338 1 . VAL 36 36 6338 1 . MET 37 37 6338 1 . ASP 38 38 6338 1 . LEU 39 39 6338 1 . VAL 40 40 6338 1 . HIS 41 41 6338 1 . THR 42 42 6338 1 . TYR 43 43 6338 1 . VAL 44 44 6338 1 . PRO 45 45 6338 1 . SER 46 46 6338 1 . PHE 47 47 6338 1 . LYS 48 48 6338 1 . ARG 49 49 6338 1 . GLY 50 50 6338 1 . LEU 51 51 6338 1 . GLY 52 52 6338 1 . LEU 53 53 6338 1 . ALA 54 54 6338 1 . SER 55 55 6338 1 . HIS 56 56 6338 1 . LEU 57 57 6338 1 . CYS 58 58 6338 1 . VAL 59 59 6338 1 . ALA 60 60 6338 1 . ALA 61 61 6338 1 . PHE 62 62 6338 1 . GLU 63 63 6338 1 . HIS 64 64 6338 1 . ALA 65 65 6338 1 . SER 66 66 6338 1 . SER 67 67 6338 1 . HIS 68 68 6338 1 . SER 69 69 6338 1 . ILE 70 70 6338 1 . SER 71 71 6338 1 . ILE 72 72 6338 1 . ILE 73 73 6338 1 . PRO 74 74 6338 1 . SER 75 75 6338 1 . CYS 76 76 6338 1 . SER 77 77 6338 1 . TYR 78 78 6338 1 . VAL 79 79 6338 1 . SER 80 80 6338 1 . ASP 81 81 6338 1 . THR 82 82 6338 1 . PHE 83 83 6338 1 . LEU 84 84 6338 1 . PRO 85 85 6338 1 . ARG 86 86 6338 1 . ASN 87 87 6338 1 . PRO 88 88 6338 1 . SER 89 89 6338 1 . TRP 90 90 6338 1 . LYS 91 91 6338 1 . PRO 92 92 6338 1 . LEU 93 93 6338 1 . ILE 94 94 6338 1 . HIS 95 95 6338 1 . SER 96 96 6338 1 . GLU 97 97 6338 1 . VAL 98 98 6338 1 . PHE 99 99 6338 1 . LYS 100 100 6338 1 . SER 101 101 6338 1 . SER 102 102 6338 1 . ILE 103 103 6338 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 6338 _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 $At1g77540 . 3702 organism . 'Arabidopsis thaliana' 'Arabidopsis thaliana' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6338 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 6338 _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 $At1g77540 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6338 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6338 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N labeled sample' _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 At1g77540 '[U-13C; U-15N]' . . 1 $At1g77540 . . . 0.9 1.1 mM . . . . 6338 1 2 KHPO4 . . . . . . . 10 . . mM . . . . 6338 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6338 _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 6.0 0.1 pH 6338 1 temperature 300 0.05 K 6338 1 'ionic strength' 0.05 0.005 M 6338 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6338 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Invoa _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6338 _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 Varian Invoa . 600 . . . 6338 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 6338 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NHCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6338 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6338 1 3 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6338 1 4 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6338 1 5 HC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6338 1 6 CCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6338 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6338 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6338 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name NHCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6338 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6338 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6338 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6338 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6338 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6338 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 6338 _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 1.000000000 . . . . . . . . . 6338 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6338 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6338 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6338 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 NHCO 1 $sample_1 . 6338 1 2 CBCA(CO)NH 1 $sample_1 . 6338 1 3 C(CO)NH 1 $sample_1 . 6338 1 4 HBHA(CO)NH 1 $sample_1 . 6338 1 5 HC(CO)NH 1 $sample_1 . 6338 1 6 CCH-TOCSY 1 $sample_1 . 6338 1 7 HCCH-TOCSY 1 $sample_1 . 6338 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 2 2 ALA CA C 13 53.247 . . 1 . . . . . . . . 6338 1 2 . 1 1 2 2 ALA HA H 1 4.448 . . 1 . . . . . . . . 6338 1 3 . 1 1 2 2 ALA CB C 13 19.760 . . 1 . . . . . . . . 6338 1 4 . 1 1 2 2 ALA HB1 H 1 1.441 . . 1 . . . . . . . . 6338 1 5 . 1 1 2 2 ALA HB2 H 1 1.441 . . 1 . . . . . . . . 6338 1 6 . 1 1 2 2 ALA HB3 H 1 1.441 . . 1 . . . . . . . . 6338 1 7 . 1 1 2 2 ALA C C 13 177.774 . . 1 . . . . . . . . 6338 1 8 . 1 1 3 3 THR N N 15 113.049 . . 1 . . . . . . . . 6338 1 9 . 1 1 3 3 THR H H 1 8.166 . . 1 . . . . . . . . 6338 1 10 . 1 1 3 3 THR CA C 13 61.990 . . 1 . . . . . . . . 6338 1 11 . 1 1 3 3 THR HA H 1 4.318 . . 1 . . . . . . . . 6338 1 12 . 1 1 3 3 THR CB C 13 70.145 . . 1 . . . . . . . . 6338 1 13 . 1 1 3 3 THR HB H 1 4.219 . . 1 . . . . . . . . 6338 1 14 . 1 1 3 3 THR CG2 C 13 22.181 . . 1 . . . . . . . . 6338 1 15 . 1 1 3 3 THR HG21 H 1 1.193 . . 1 . . . . . . . . 6338 1 16 . 1 1 3 3 THR HG22 H 1 1.193 . . 1 . . . . . . . . 6338 1 17 . 1 1 3 3 THR HG23 H 1 1.193 . . 1 . . . . . . . . 6338 1 18 . 1 1 3 3 THR C C 13 174.309 . . 1 . . . . . . . . 6338 1 19 . 1 1 4 4 GLU N N 15 124.960 . . 1 . . . . . . . . 6338 1 20 . 1 1 4 4 GLU H H 1 8.275 . . 1 . . . . . . . . 6338 1 21 . 1 1 4 4 GLU CA C 13 54.639 . . 1 . . . . . . . . 6338 1 22 . 1 1 4 4 GLU CB C 13 30.255 . . 1 . . . . . . . . 6338 1 23 . 1 1 6 6 PRO CA C 13 62.636 . . 1 . . . . . . . . 6338 1 24 . 1 1 6 6 PRO HA H 1 4.375 . . 1 . . . . . . . . 6338 1 25 . 1 1 6 6 PRO CB C 13 32.358 . . 1 . . . . . . . . 6338 1 26 . 1 1 6 6 PRO HB3 H 1 1.688 . . 2 . . . . . . . . 6338 1 27 . 1 1 6 6 PRO HB2 H 1 2.214 . . 2 . . . . . . . . 6338 1 28 . 1 1 6 6 PRO CG C 13 27.812 . . 1 . . . . . . . . 6338 1 29 . 1 1 6 6 PRO HG2 H 1 1.894 . . 2 . . . . . . . . 6338 1 30 . 1 1 6 6 PRO CD C 13 49.979 . . 1 . . . . . . . . 6338 1 31 . 1 1 6 6 PRO HD3 H 1 2.902 . . 2 . . . . . . . . 6338 1 32 . 1 1 6 6 PRO HD2 H 1 3.553 . . 2 . . . . . . . . 6338 1 33 . 1 1 7 7 LYS N N 15 122.008 . . 1 . . . . . . . . 6338 1 34 . 1 1 7 7 LYS H H 1 8.347 . . 1 . . . . . . . . 6338 1 35 . 1 1 7 7 LYS CA C 13 57.028 . . 1 . . . . . . . . 6338 1 36 . 1 1 7 7 LYS HA H 1 4.165 . . 1 . . . . . . . . 6338 1 37 . 1 1 7 7 LYS CB C 13 32.943 . . 1 . . . . . . . . 6338 1 38 . 1 1 7 7 LYS HB2 H 1 1.687 . . 2 . . . . . . . . 6338 1 39 . 1 1 7 7 LYS CG C 13 25.382 . . 1 . . . . . . . . 6338 1 40 . 1 1 7 7 LYS HG2 H 1 1.238 . . 2 . . . . . . . . 6338 1 41 . 1 1 7 7 LYS CD C 13 29.332 . . 1 . . . . . . . . 6338 1 42 . 1 1 7 7 LYS HD2 H 1 1.349 . . 2 . . . . . . . . 6338 1 43 . 1 1 7 7 LYS CE C 13 42.545 . . 1 . . . . . . . . 6338 1 44 . 1 1 7 7 LYS HE3 H 1 2.701 . . 2 . . . . . . . . 6338 1 45 . 1 1 7 7 LYS HE2 H 1 2.952 . . 2 . . . . . . . . 6338 1 46 . 1 1 7 7 LYS C C 13 175.340 . . 1 . . . . . . . . 6338 1 47 . 1 1 8 8 ILE N N 15 126.454 . . 1 . . . . . . . . 6338 1 48 . 1 1 8 8 ILE H H 1 8.373 . . 1 . . . . . . . . 6338 1 49 . 1 1 8 8 ILE CA C 13 58.628 . . 1 . . . . . . . . 6338 1 50 . 1 1 8 8 ILE HA H 1 4.621 . . 1 . . . . . . . . 6338 1 51 . 1 1 8 8 ILE CB C 13 38.550 . . 1 . . . . . . . . 6338 1 52 . 1 1 8 8 ILE HB H 1 1.829 . . 1 . . . . . . . . 6338 1 53 . 1 1 8 8 ILE CG1 C 13 27.813 . . 2 . . . . . . . . 6338 1 54 . 1 1 8 8 ILE HG12 H 1 1.240 . . 1 . . . . . . . . 6338 1 55 . 1 1 8 8 ILE CD1 C 13 11.556 . . 1 . . . . . . . . 6338 1 56 . 1 1 8 8 ILE HD11 H 1 0.573 . . 1 . . . . . . . . 6338 1 57 . 1 1 8 8 ILE HD12 H 1 0.573 . . 1 . . . . . . . . 6338 1 58 . 1 1 8 8 ILE HD13 H 1 0.573 . . 1 . . . . . . . . 6338 1 59 . 1 1 8 8 ILE CG2 C 13 19.585 . . 1 . . . . . . . . 6338 1 60 . 1 1 8 8 ILE HG21 H 1 0.894 . . 1 . . . . . . . . 6338 1 61 . 1 1 8 8 ILE HG22 H 1 0.894 . . 1 . . . . . . . . 6338 1 62 . 1 1 8 8 ILE HG23 H 1 0.894 . . 1 . . . . . . . . 6338 1 63 . 1 1 8 8 ILE C C 13 175.804 . . 1 . . . . . . . . 6338 1 64 . 1 1 9 9 VAL N N 15 124.416 . . 1 . . . . . . . . 6338 1 65 . 1 1 9 9 VAL H H 1 9.603 . . 1 . . . . . . . . 6338 1 66 . 1 1 9 9 VAL CA C 13 60.097 . . 1 . . . . . . . . 6338 1 67 . 1 1 9 9 VAL HA H 1 4.664 . . 1 . . . . . . . . 6338 1 68 . 1 1 9 9 VAL CB C 13 35.583 . . 1 . . . . . . . . 6338 1 69 . 1 1 9 9 VAL HB H 1 2.182 . . 1 . . . . . . . . 6338 1 70 . 1 1 9 9 VAL CG2 C 13 21.976 . . 1 . . . . . . . . 6338 1 71 . 1 1 9 9 VAL HG21 H 1 0.932 . . 2 . . . . . . . . 6338 1 72 . 1 1 9 9 VAL HG22 H 1 0.932 . . 2 . . . . . . . . 6338 1 73 . 1 1 9 9 VAL HG23 H 1 0.932 . . 2 . . . . . . . . 6338 1 74 . 1 1 9 9 VAL CG1 C 13 20.135 . . 1 . . . . . . . . 6338 1 75 . 1 1 9 9 VAL HG11 H 1 0.905 . . 2 . . . . . . . . 6338 1 76 . 1 1 9 9 VAL HG12 H 1 0.905 . . 2 . . . . . . . . 6338 1 77 . 1 1 9 9 VAL HG13 H 1 0.905 . . 2 . . . . . . . . 6338 1 78 . 1 1 9 9 VAL C C 13 174.778 . . 1 . . . . . . . . 6338 1 79 . 1 1 10 10 TRP N N 15 124.800 . . 1 . . . . . . . . 6338 1 80 . 1 1 10 10 TRP H H 1 8.906 . . 1 . . . . . . . . 6338 1 81 . 1 1 10 10 TRP CA C 13 55.571 . . 1 . . . . . . . . 6338 1 82 . 1 1 10 10 TRP HA H 1 4.630 . . 1 . . . . . . . . 6338 1 83 . 1 1 10 10 TRP CB C 13 29.264 . . 1 . . . . . . . . 6338 1 84 . 1 1 10 10 TRP HB3 H 1 2.947 . . 2 . . . . . . . . 6338 1 85 . 1 1 10 10 TRP HB2 H 1 3.433 . . 2 . . . . . . . . 6338 1 86 . 1 1 10 10 TRP HD1 H 1 5.491 . . 1 . . . . . . . . 6338 1 87 . 1 1 10 10 TRP NE1 N 15 126.588 . . 1 . . . . . . . . 6338 1 88 . 1 1 10 10 TRP HE1 H 1 9.767 . . 3 . . . . . . . . 6338 1 89 . 1 1 10 10 TRP C C 13 174.621 . . 1 . . . . . . . . 6338 1 90 . 1 1 11 11 ASN N N 15 130.539 . . 1 . . . . . . . . 6338 1 91 . 1 1 11 11 ASN H H 1 8.985 . . 1 . . . . . . . . 6338 1 92 . 1 1 11 11 ASN CA C 13 50.763 . . 1 . . . . . . . . 6338 1 93 . 1 1 11 11 ASN HA H 1 4.505 . . 1 . . . . . . . . 6338 1 94 . 1 1 11 11 ASN CB C 13 37.859 . . 1 . . . . . . . . 6338 1 95 . 1 1 11 11 ASN HB3 H 1 2.251 . . 2 . . . . . . . . 6338 1 96 . 1 1 11 11 ASN HB2 H 1 2.807 . . 2 . . . . . . . . 6338 1 97 . 1 1 11 11 ASN C C 13 173.645 . . 1 . . . . . . . . 6338 1 98 . 1 1 12 12 GLU N N 15 124.956 . . 1 . . . . . . . . 6338 1 99 . 1 1 12 12 GLU H H 1 7.537 . . 1 . . . . . . . . 6338 1 100 . 1 1 12 12 GLU CA C 13 59.679 . . 1 . . . . . . . . 6338 1 101 . 1 1 12 12 GLU HA H 1 3.262 . . 1 . . . . . . . . 6338 1 102 . 1 1 12 12 GLU CB C 13 29.330 . . 1 . . . . . . . . 6338 1 103 . 1 1 12 12 GLU HB3 H 1 0.339 . . 2 . . . . . . . . 6338 1 104 . 1 1 12 12 GLU HB2 H 1 1.185 . . 2 . . . . . . . . 6338 1 105 . 1 1 12 12 GLU CG C 13 36.180 . . 1 . . . . . . . . 6338 1 106 . 1 1 12 12 GLU HG2 H 1 1.783 . . 2 . . . . . . . . 6338 1 107 . 1 1 12 12 GLU C C 13 179.824 . . 1 . . . . . . . . 6338 1 108 . 1 1 13 13 GLY N N 15 106.735 . . 1 . . . . . . . . 6338 1 109 . 1 1 13 13 GLY H H 1 8.508 . . 1 . . . . . . . . 6338 1 110 . 1 1 13 13 GLY CA C 13 46.978 . . 1 . . . . . . . . 6338 1 111 . 1 1 13 13 GLY HA3 H 1 3.746 . . 2 . . . . . . . . 6338 1 112 . 1 1 13 13 GLY HA2 H 1 3.703 . . 2 . . . . . . . . 6338 1 113 . 1 1 13 13 GLY C C 13 175.296 . . 1 . . . . . . . . 6338 1 114 . 1 1 14 14 LYS N N 15 116.611 . . 1 . . . . . . . . 6338 1 115 . 1 1 14 14 LYS H H 1 6.853 . . 1 . . . . . . . . 6338 1 116 . 1 1 14 14 LYS CA C 13 54.659 . . 1 . . . . . . . . 6338 1 117 . 1 1 14 14 LYS HA H 1 4.165 . . 1 . . . . . . . . 6338 1 118 . 1 1 14 14 LYS CB C 13 32.996 . . 1 . . . . . . . . 6338 1 119 . 1 1 14 14 LYS HB3 H 1 0.925 . . 2 . . . . . . . . 6338 1 120 . 1 1 14 14 LYS HB2 H 1 1.546 . . 2 . . . . . . . . 6338 1 121 . 1 1 14 14 LYS CG C 13 25.309 . . 1 . . . . . . . . 6338 1 122 . 1 1 14 14 LYS HG3 H 1 1.259 . . 2 . . . . . . . . 6338 1 123 . 1 1 14 14 LYS HG2 H 1 1.093 . . 2 . . . . . . . . 6338 1 124 . 1 1 14 14 LYS CD C 13 28.881 . . 1 . . . . . . . . 6338 1 125 . 1 1 14 14 LYS HD2 H 1 1.330 . . 2 . . . . . . . . 6338 1 126 . 1 1 14 14 LYS CE C 13 42.502 . . 1 . . . . . . . . 6338 1 127 . 1 1 14 14 LYS HE2 H 1 2.700 . . 2 . . . . . . . . 6338 1 128 . 1 1 14 14 LYS C C 13 174.354 . . 1 . . . . . . . . 6338 1 129 . 1 1 15 15 ARG N N 15 118.568 . . 1 . . . . . . . . 6338 1 130 . 1 1 15 15 ARG H H 1 7.639 . . 1 . . . . . . . . 6338 1 131 . 1 1 15 15 ARG CA C 13 57.437 . . 1 . . . . . . . . 6338 1 132 . 1 1 15 15 ARG HA H 1 3.174 . . 1 . . . . . . . . 6338 1 133 . 1 1 15 15 ARG CB C 13 26.633 . . 1 . . . . . . . . 6338 1 134 . 1 1 15 15 ARG HB3 H 1 1.091 . . 2 . . . . . . . . 6338 1 135 . 1 1 15 15 ARG HB2 H 1 1.734 . . 2 . . . . . . . . 6338 1 136 . 1 1 15 15 ARG CG C 13 28.298 . . 1 . . . . . . . . 6338 1 137 . 1 1 15 15 ARG HG2 H 1 1.372 . . 2 . . . . . . . . 6338 1 138 . 1 1 15 15 ARG CD C 13 44.342 . . 1 . . . . . . . . 6338 1 139 . 1 1 15 15 ARG HD2 H 1 3.125 . . 2 . . . . . . . . 6338 1 140 . 1 1 15 15 ARG C C 13 173.150 . . 1 . . . . . . . . 6338 1 141 . 1 1 16 16 ARG N N 15 110.368 . . 1 . . . . . . . . 6338 1 142 . 1 1 16 16 ARG H H 1 7.511 . . 1 . . . . . . . . 6338 1 143 . 1 1 16 16 ARG CA C 13 54.402 . . 1 . . . . . . . . 6338 1 144 . 1 1 16 16 ARG HA H 1 3.887 . . 1 . . . . . . . . 6338 1 145 . 1 1 16 16 ARG CB C 13 35.824 . . 1 . . . . . . . . 6338 1 146 . 1 1 16 16 ARG HB3 H 1 1.252 . . 2 . . . . . . . . 6338 1 147 . 1 1 16 16 ARG HB2 H 1 1.817 . . 2 . . . . . . . . 6338 1 148 . 1 1 16 16 ARG CG C 13 26.362 . . 1 . . . . . . . . 6338 1 149 . 1 1 16 16 ARG HG2 H 1 1.477 . . 2 . . . . . . . . 6338 1 150 . 1 1 16 16 ARG CD C 13 44.151 . . 1 . . . . . . . . 6338 1 151 . 1 1 16 16 ARG HD2 H 1 2.407 . . 2 . . . . . . . . 6338 1 152 . 1 1 16 16 ARG C C 13 175.721 . . 1 . . . . . . . . 6338 1 153 . 1 1 17 17 PHE N N 15 120.007 . . 1 . . . . . . . . 6338 1 154 . 1 1 17 17 PHE H H 1 8.730 . . 1 . . . . . . . . 6338 1 155 . 1 1 17 17 PHE CA C 13 58.418 . . 1 . . . . . . . . 6338 1 156 . 1 1 17 17 PHE HA H 1 5.303 . . 1 . . . . . . . . 6338 1 157 . 1 1 17 17 PHE CB C 13 39.649 . . 1 . . . . . . . . 6338 1 158 . 1 1 17 17 PHE HB3 H 1 2.688 . . 2 . . . . . . . . 6338 1 159 . 1 1 17 17 PHE HB2 H 1 2.969 . . 2 . . . . . . . . 6338 1 160 . 1 1 17 17 PHE HD1 H 1 7.020 . . 3 . . . . . . . . 6338 1 161 . 1 1 17 17 PHE HE1 H 1 6.620 . . 3 . . . . . . . . 6338 1 162 . 1 1 17 17 PHE C C 13 174.905 . . 1 . . . . . . . . 6338 1 163 . 1 1 18 18 GLU N N 15 119.454 . . 1 . . . . . . . . 6338 1 164 . 1 1 18 18 GLU H H 1 9.554 . . 1 . . . . . . . . 6338 1 165 . 1 1 18 18 GLU CA C 13 54.231 . . 1 . . . . . . . . 6338 1 166 . 1 1 18 18 GLU HA H 1 5.946 . . 1 . . . . . . . . 6338 1 167 . 1 1 18 18 GLU CB C 13 35.752 . . 1 . . . . . . . . 6338 1 168 . 1 1 18 18 GLU HB3 H 1 2.062 . . 2 . . . . . . . . 6338 1 169 . 1 1 18 18 GLU HB2 H 1 2.367 . . 2 . . . . . . . . 6338 1 170 . 1 1 18 18 GLU CG C 13 34.481 . . 1 . . . . . . . . 6338 1 171 . 1 1 18 18 GLU HG2 H 1 2.124 . . 2 . . . . . . . . 6338 1 172 . 1 1 18 18 GLU C C 13 176.036 . . 1 . . . . . . . . 6338 1 173 . 1 1 19 19 THR N N 15 109.626 . . 1 . . . . . . . . 6338 1 174 . 1 1 19 19 THR H H 1 8.536 . . 1 . . . . . . . . 6338 1 175 . 1 1 19 19 THR CA C 13 62.271 . . 1 . . . . . . . . 6338 1 176 . 1 1 19 19 THR HA H 1 4.721 . . 1 . . . . . . . . 6338 1 177 . 1 1 19 19 THR CB C 13 69.815 . . 1 . . . . . . . . 6338 1 178 . 1 1 19 19 THR HB H 1 4.721 . . 1 . . . . . . . . 6338 1 179 . 1 1 19 19 THR CG2 C 13 26.148 . . 1 . . . . . . . . 6338 1 180 . 1 1 19 19 THR HG21 H 1 1.283 . . 1 . . . . . . . . 6338 1 181 . 1 1 19 19 THR HG22 H 1 1.283 . . 1 . . . . . . . . 6338 1 182 . 1 1 19 19 THR HG23 H 1 1.283 . . 1 . . . . . . . . 6338 1 183 . 1 1 19 19 THR C C 13 177.932 . . 1 . . . . . . . . 6338 1 184 . 1 1 20 20 GLU N N 15 120.696 . . 1 . . . . . . . . 6338 1 185 . 1 1 20 20 GLU H H 1 8.817 . . 1 . . . . . . . . 6338 1 186 . 1 1 20 20 GLU CA C 13 60.052 . . 1 . . . . . . . . 6338 1 187 . 1 1 20 20 GLU HA H 1 3.753 . . 1 . . . . . . . . 6338 1 188 . 1 1 20 20 GLU CB C 13 30.625 . . 1 . . . . . . . . 6338 1 189 . 1 1 20 20 GLU HB3 H 1 1.989 . . 2 . . . . . . . . 6338 1 190 . 1 1 20 20 GLU HB2 H 1 2.082 . . 2 . . . . . . . . 6338 1 191 . 1 1 20 20 GLU CG C 13 38.159 . . 1 . . . . . . . . 6338 1 192 . 1 1 20 20 GLU HG2 H 1 2.212 . . 2 . . . . . . . . 6338 1 193 . 1 1 20 20 GLU C C 13 176.657 . . 1 . . . . . . . . 6338 1 194 . 1 1 21 21 ASP N N 15 114.106 . . 1 . . . . . . . . 6338 1 195 . 1 1 21 21 ASP H H 1 7.590 . . 1 . . . . . . . . 6338 1 196 . 1 1 21 21 ASP CA C 13 53.534 . . 1 . . . . . . . . 6338 1 197 . 1 1 21 21 ASP HA H 1 4.182 . . 1 . . . . . . . . 6338 1 198 . 1 1 21 21 ASP CB C 13 40.564 . . 1 . . . . . . . . 6338 1 199 . 1 1 21 21 ASP HB3 H 1 2.597 . . 2 . . . . . . . . 6338 1 200 . 1 1 21 21 ASP HB2 H 1 3.161 . . 2 . . . . . . . . 6338 1 201 . 1 1 21 21 ASP C C 13 176.410 . . 1 . . . . . . . . 6338 1 202 . 1 1 22 22 HIS N N 15 111.204 . . 1 . . . . . . . . 6338 1 203 . 1 1 22 22 HIS H H 1 8.193 . . 1 . . . . . . . . 6338 1 204 . 1 1 22 22 HIS CA C 13 56.982 . . 1 . . . . . . . . 6338 1 205 . 1 1 22 22 HIS HA H 1 4.240 . . 1 . . . . . . . . 6338 1 206 . 1 1 22 22 HIS CB C 13 27.680 . . 1 . . . . . . . . 6338 1 207 . 1 1 22 22 HIS HB3 H 1 3.282 . . 2 . . . . . . . . 6338 1 208 . 1 1 22 22 HIS HB2 H 1 3.738 . . 2 . . . . . . . . 6338 1 209 . 1 1 22 22 HIS HD2 H 1 7.100 . . 3 . . . . . . . . 6338 1 210 . 1 1 22 22 HIS C C 13 175.821 . . 1 . . . . . . . . 6338 1 211 . 1 1 23 23 GLU N N 15 118.506 . . 1 . . . . . . . . 6338 1 212 . 1 1 23 23 GLU H H 1 8.156 . . 1 . . . . . . . . 6338 1 213 . 1 1 23 23 GLU CA C 13 58.903 . . 1 . . . . . . . . 6338 1 214 . 1 1 23 23 GLU HA H 1 4.343 . . 1 . . . . . . . . 6338 1 215 . 1 1 23 23 GLU CB C 13 31.318 . . 1 . . . . . . . . 6338 1 216 . 1 1 23 23 GLU HB2 H 1 2.114 . . 2 . . . . . . . . 6338 1 217 . 1 1 23 23 GLU CG C 13 35.889 . . 1 . . . . . . . . 6338 1 218 . 1 1 23 23 GLU HG2 H 1 2.330 . . 2 . . . . . . . . 6338 1 219 . 1 1 23 23 GLU C C 13 175.424 . . 1 . . . . . . . . 6338 1 220 . 1 1 24 24 ALA N N 15 117.972 . . 1 . . . . . . . . 6338 1 221 . 1 1 24 24 ALA H H 1 7.553 . . 1 . . . . . . . . 6338 1 222 . 1 1 24 24 ALA CA C 13 50.199 . . 1 . . . . . . . . 6338 1 223 . 1 1 24 24 ALA HA H 1 5.128 . . 1 . . . . . . . . 6338 1 224 . 1 1 24 24 ALA CB C 13 23.269 . . 1 . . . . . . . . 6338 1 225 . 1 1 24 24 ALA HB1 H 1 1.363 . . 1 . . . . . . . . 6338 1 226 . 1 1 24 24 ALA HB2 H 1 1.363 . . 1 . . . . . . . . 6338 1 227 . 1 1 24 24 ALA HB3 H 1 1.363 . . 1 . . . . . . . . 6338 1 228 . 1 1 24 24 ALA C C 13 175.100 . . 1 . . . . . . . . 6338 1 229 . 1 1 25 25 PHE N N 15 115.582 . . 1 . . . . . . . . 6338 1 230 . 1 1 25 25 PHE H H 1 8.708 . . 1 . . . . . . . . 6338 1 231 . 1 1 25 25 PHE CA C 13 57.085 . . 1 . . . . . . . . 6338 1 232 . 1 1 25 25 PHE HA H 1 5.854 . . 1 . . . . . . . . 6338 1 233 . 1 1 25 25 PHE CB C 13 42.460 . . 1 . . . . . . . . 6338 1 234 . 1 1 25 25 PHE HB3 H 1 2.891 . . 2 . . . . . . . . 6338 1 235 . 1 1 25 25 PHE HB2 H 1 3.503 . . 2 . . . . . . . . 6338 1 236 . 1 1 25 25 PHE HD1 H 1 6.870 . . 3 . . . . . . . . 6338 1 237 . 1 1 25 25 PHE C C 13 172.689 . . 1 . . . . . . . . 6338 1 238 . 1 1 26 26 ILE N N 15 118.225 . . 1 . . . . . . . . 6338 1 239 . 1 1 26 26 ILE H H 1 9.410 . . 1 . . . . . . . . 6338 1 240 . 1 1 26 26 ILE CA C 13 59.880 . . 1 . . . . . . . . 6338 1 241 . 1 1 26 26 ILE HA H 1 5.482 . . 1 . . . . . . . . 6338 1 242 . 1 1 26 26 ILE CB C 13 42.771 . . 1 . . . . . . . . 6338 1 243 . 1 1 26 26 ILE HB H 1 1.619 . . 1 . . . . . . . . 6338 1 244 . 1 1 26 26 ILE CG1 C 13 28.545 . . 2 . . . . . . . . 6338 1 245 . 1 1 26 26 ILE HG12 H 1 1.900 . . 1 . . . . . . . . 6338 1 246 . 1 1 26 26 ILE CD1 C 13 16.800 . . 1 . . . . . . . . 6338 1 247 . 1 1 26 26 ILE HD11 H 1 0.784 . . 1 . . . . . . . . 6338 1 248 . 1 1 26 26 ILE HD12 H 1 0.784 . . 1 . . . . . . . . 6338 1 249 . 1 1 26 26 ILE HD13 H 1 0.784 . . 1 . . . . . . . . 6338 1 250 . 1 1 26 26 ILE CG2 C 13 17.940 . . 1 . . . . . . . . 6338 1 251 . 1 1 26 26 ILE HG21 H 1 1.710 . . 1 . . . . . . . . 6338 1 252 . 1 1 26 26 ILE HG22 H 1 1.710 . . 1 . . . . . . . . 6338 1 253 . 1 1 26 26 ILE HG23 H 1 1.710 . . 1 . . . . . . . . 6338 1 254 . 1 1 26 26 ILE C C 13 174.113 . . 1 . . . . . . . . 6338 1 255 . 1 1 27 27 GLU N N 15 128.275 . . 1 . . . . . . . . 6338 1 256 . 1 1 27 27 GLU H H 1 9.252 . . 1 . . . . . . . . 6338 1 257 . 1 1 27 27 GLU CA C 13 54.881 . . 1 . . . . . . . . 6338 1 258 . 1 1 27 27 GLU HA H 1 5.374 . . 1 . . . . . . . . 6338 1 259 . 1 1 27 27 GLU CB C 13 34.151 . . 1 . . . . . . . . 6338 1 260 . 1 1 27 27 GLU HB2 H 1 2.216 . . 2 . . . . . . . . 6338 1 261 . 1 1 27 27 GLU CG C 13 37.875 . . 1 . . . . . . . . 6338 1 262 . 1 1 27 27 GLU HG2 H 1 2.536 . . 2 . . . . . . . . 6338 1 263 . 1 1 27 27 GLU C C 13 175.144 . . 1 . . . . . . . . 6338 1 264 . 1 1 28 28 TYR N N 15 120.383 . . 1 . . . . . . . . 6338 1 265 . 1 1 28 28 TYR H H 1 8.405 . . 1 . . . . . . . . 6338 1 266 . 1 1 28 28 TYR CA C 13 55.278 . . 1 . . . . . . . . 6338 1 267 . 1 1 28 28 TYR HA H 1 6.169 . . 1 . . . . . . . . 6338 1 268 . 1 1 28 28 TYR CB C 13 44.880 . . 1 . . . . . . . . 6338 1 269 . 1 1 28 28 TYR HB3 H 1 2.662 . . 2 . . . . . . . . 6338 1 270 . 1 1 28 28 TYR HB2 H 1 3.025 . . 2 . . . . . . . . 6338 1 271 . 1 1 28 28 TYR HD1 H 1 6.660 . . 3 . . . . . . . . 6338 1 272 . 1 1 28 28 TYR C C 13 173.476 . . 1 . . . . . . . . 6338 1 273 . 1 1 29 29 LYS N N 15 117.619 . . 1 . . . . . . . . 6338 1 274 . 1 1 29 29 LYS H H 1 9.233 . . 1 . . . . . . . . 6338 1 275 . 1 1 29 29 LYS CA C 13 55.667 . . 1 . . . . . . . . 6338 1 276 . 1 1 29 29 LYS HA H 1 4.666 . . 1 . . . . . . . . 6338 1 277 . 1 1 29 29 LYS CB C 13 37.120 . . 1 . . . . . . . . 6338 1 278 . 1 1 29 29 LYS HB3 H 1 1.651 . . 2 . . . . . . . . 6338 1 279 . 1 1 29 29 LYS HB2 H 1 1.866 . . 2 . . . . . . . . 6338 1 280 . 1 1 29 29 LYS CG C 13 26.040 . . 1 . . . . . . . . 6338 1 281 . 1 1 29 29 LYS HG2 H 1 1.443 . . 2 . . . . . . . . 6338 1 282 . 1 1 29 29 LYS CD C 13 29.810 . . 1 . . . . . . . . 6338 1 283 . 1 1 29 29 LYS HD2 H 1 1.698 . . 2 . . . . . . . . 6338 1 284 . 1 1 29 29 LYS CE C 13 42.725 . . 1 . . . . . . . . 6338 1 285 . 1 1 29 29 LYS HE2 H 1 2.967 . . 2 . . . . . . . . 6338 1 286 . 1 1 29 29 LYS C C 13 175.956 . . 1 . . . . . . . . 6338 1 287 . 1 1 30 30 MET N N 15 122.014 . . 1 . . . . . . . . 6338 1 288 . 1 1 30 30 MET H H 1 9.252 . . 1 . . . . . . . . 6338 1 289 . 1 1 30 30 MET CA C 13 53.494 . . 1 . . . . . . . . 6338 1 290 . 1 1 30 30 MET HA H 1 5.560 . . 1 . . . . . . . . 6338 1 291 . 1 1 30 30 MET CB C 13 31.366 . . 1 . . . . . . . . 6338 1 292 . 1 1 30 30 MET HB3 H 1 1.924 . . 2 . . . . . . . . 6338 1 293 . 1 1 30 30 MET HB2 H 1 2.244 . . 2 . . . . . . . . 6338 1 294 . 1 1 30 30 MET HG3 H 1 2.713 . . 2 . . . . . . . . 6338 1 295 . 1 1 30 30 MET HG2 H 1 3.042 . . 2 . . . . . . . . 6338 1 296 . 1 1 30 30 MET C C 13 176.782 . . 1 . . . . . . . . 6338 1 297 . 1 1 31 31 ARG N N 15 121.635 . . 1 . . . . . . . . 6338 1 298 . 1 1 31 31 ARG H H 1 9.467 . . 1 . . . . . . . . 6338 1 299 . 1 1 31 31 ARG CA C 13 54.048 . . 1 . . . . . . . . 6338 1 300 . 1 1 31 31 ARG HA H 1 4.782 . . 1 . . . . . . . . 6338 1 301 . 1 1 31 31 ARG CB C 13 34.117 . . 1 . . . . . . . . 6338 1 302 . 1 1 31 31 ARG HB3 H 1 1.382 . . 2 . . . . . . . . 6338 1 303 . 1 1 31 31 ARG HB2 H 1 1.923 . . 2 . . . . . . . . 6338 1 304 . 1 1 31 31 ARG CG C 13 27.856 . . 1 . . . . . . . . 6338 1 305 . 1 1 31 31 ARG HG2 H 1 1.650 . . 2 . . . . . . . . 6338 1 306 . 1 1 31 31 ARG CD C 13 44.008 . . 1 . . . . . . . . 6338 1 307 . 1 1 31 31 ARG HD3 H 1 2.993 . . 2 . . . . . . . . 6338 1 308 . 1 1 31 31 ARG HD2 H 1 3.131 . . 2 . . . . . . . . 6338 1 309 . 1 1 31 31 ARG C C 13 175.407 . . 1 . . . . . . . . 6338 1 310 . 1 1 32 32 ASN N N 15 118.358 . . 1 . . . . . . . . 6338 1 311 . 1 1 32 32 ASN H H 1 9.046 . . 1 . . . . . . . . 6338 1 312 . 1 1 32 32 ASN CA C 13 54.215 . . 1 . . . . . . . . 6338 1 313 . 1 1 32 32 ASN HA H 1 4.270 . . 1 . . . . . . . . 6338 1 314 . 1 1 32 32 ASN CB C 13 36.557 . . 1 . . . . . . . . 6338 1 315 . 1 1 32 32 ASN HB3 H 1 2.499 . . 2 . . . . . . . . 6338 1 316 . 1 1 32 32 ASN HB2 H 1 2.946 . . 2 . . . . . . . . 6338 1 317 . 1 1 32 32 ASN C C 13 176.033 . . 1 . . . . . . . . 6338 1 318 . 1 1 33 33 ASN N N 15 115.786 . . 1 . . . . . . . . 6338 1 319 . 1 1 33 33 ASN H H 1 8.977 . . 1 . . . . . . . . 6338 1 320 . 1 1 33 33 ASN CA C 13 54.390 . . 1 . . . . . . . . 6338 1 321 . 1 1 33 33 ASN HA H 1 4.320 . . 1 . . . . . . . . 6338 1 322 . 1 1 33 33 ASN CB C 13 37.735 . . 1 . . . . . . . . 6338 1 323 . 1 1 33 33 ASN HB3 H 1 2.749 . . 2 . . . . . . . . 6338 1 324 . 1 1 33 33 ASN HB2 H 1 3.084 . . 2 . . . . . . . . 6338 1 325 . 1 1 33 33 ASN C C 13 175.274 . . 1 . . . . . . . . 6338 1 326 . 1 1 34 34 GLY N N 15 103.905 . . 1 . . . . . . . . 6338 1 327 . 1 1 34 34 GLY H H 1 7.831 . . 1 . . . . . . . . 6338 1 328 . 1 1 34 34 GLY CA C 13 45.964 . . 1 . . . . . . . . 6338 1 329 . 1 1 34 34 GLY HA3 H 1 3.491 . . 2 . . . . . . . . 6338 1 330 . 1 1 34 34 GLY HA2 H 1 4.240 . . 2 . . . . . . . . 6338 1 331 . 1 1 34 34 GLY C C 13 174.103 . . 1 . . . . . . . . 6338 1 332 . 1 1 35 35 LYS N N 15 117.011 . . 1 . . . . . . . . 6338 1 333 . 1 1 35 35 LYS H H 1 7.450 . . 1 . . . . . . . . 6338 1 334 . 1 1 35 35 LYS CA C 13 56.933 . . 1 . . . . . . . . 6338 1 335 . 1 1 35 35 LYS HA H 1 4.450 . . 1 . . . . . . . . 6338 1 336 . 1 1 35 35 LYS CB C 13 33.762 . . 1 . . . . . . . . 6338 1 337 . 1 1 35 35 LYS HB3 H 1 1.941 . . 2 . . . . . . . . 6338 1 338 . 1 1 35 35 LYS HB2 H 1 2.093 . . 2 . . . . . . . . 6338 1 339 . 1 1 35 35 LYS CG C 13 25.535 . . 1 . . . . . . . . 6338 1 340 . 1 1 35 35 LYS HG3 H 1 1.641 . . 2 . . . . . . . . 6338 1 341 . 1 1 35 35 LYS HG2 H 1 1.540 . . 2 . . . . . . . . 6338 1 342 . 1 1 35 35 LYS CD C 13 28.876 . . 1 . . . . . . . . 6338 1 343 . 1 1 35 35 LYS HD2 H 1 1.759 . . 2 . . . . . . . . 6338 1 344 . 1 1 35 35 LYS CE C 13 42.502 . . 1 . . . . . . . . 6338 1 345 . 1 1 35 35 LYS HE2 H 1 3.088 . . 2 . . . . . . . . 6338 1 346 . 1 1 35 35 LYS C C 13 175.745 . . 1 . . . . . . . . 6338 1 347 . 1 1 36 36 VAL N N 15 118.433 . . 1 . . . . . . . . 6338 1 348 . 1 1 36 36 VAL H H 1 7.758 . . 1 . . . . . . . . 6338 1 349 . 1 1 36 36 VAL CA C 13 60.661 . . 1 . . . . . . . . 6338 1 350 . 1 1 36 36 VAL HA H 1 4.527 . . 1 . . . . . . . . 6338 1 351 . 1 1 36 36 VAL CB C 13 35.916 . . 1 . . . . . . . . 6338 1 352 . 1 1 36 36 VAL HB H 1 1.377 . . 1 . . . . . . . . 6338 1 353 . 1 1 36 36 VAL CG1 C 13 21.464 . . 1 . . . . . . . . 6338 1 354 . 1 1 36 36 VAL HG11 H 1 0.383 . . 2 . . . . . . . . 6338 1 355 . 1 1 36 36 VAL HG12 H 1 0.383 . . 2 . . . . . . . . 6338 1 356 . 1 1 36 36 VAL HG13 H 1 0.383 . . 2 . . . . . . . . 6338 1 357 . 1 1 36 36 VAL C C 13 172.723 . . 1 . . . . . . . . 6338 1 358 . 1 1 37 37 MET N N 15 128.944 . . 1 . . . . . . . . 6338 1 359 . 1 1 37 37 MET H H 1 9.196 . . 1 . . . . . . . . 6338 1 360 . 1 1 37 37 MET CA C 13 54.993 . . 1 . . . . . . . . 6338 1 361 . 1 1 37 37 MET HA H 1 4.773 . . 1 . . . . . . . . 6338 1 362 . 1 1 37 37 MET CB C 13 36.933 . . 1 . . . . . . . . 6338 1 363 . 1 1 37 37 MET HB3 H 1 1.511 . . 2 . . . . . . . . 6338 1 364 . 1 1 37 37 MET HB2 H 1 1.840 . . 2 . . . . . . . . 6338 1 365 . 1 1 37 37 MET C C 13 172.670 . . 1 . . . . . . . . 6338 1 366 . 1 1 38 38 ASP N N 15 129.021 . . 1 . . . . . . . . 6338 1 367 . 1 1 38 38 ASP H H 1 9.328 . . 1 . . . . . . . . 6338 1 368 . 1 1 38 38 ASP CA C 13 52.773 . . 1 . . . . . . . . 6338 1 369 . 1 1 38 38 ASP HA H 1 5.185 . . 1 . . . . . . . . 6338 1 370 . 1 1 38 38 ASP CB C 13 42.648 . . 1 . . . . . . . . 6338 1 371 . 1 1 38 38 ASP HB3 H 1 2.075 . . 2 . . . . . . . . 6338 1 372 . 1 1 38 38 ASP HB2 H 1 3.250 . . 2 . . . . . . . . 6338 1 373 . 1 1 38 38 ASP C C 13 176.832 . . 1 . . . . . . . . 6338 1 374 . 1 1 39 39 LEU N N 15 125.502 . . 1 . . . . . . . . 6338 1 375 . 1 1 39 39 LEU H H 1 8.852 . . 1 . . . . . . . . 6338 1 376 . 1 1 39 39 LEU CA C 13 54.661 . . 1 . . . . . . . . 6338 1 377 . 1 1 39 39 LEU HA H 1 4.621 . . 1 . . . . . . . . 6338 1 378 . 1 1 39 39 LEU CB C 13 41.623 . . 1 . . . . . . . . 6338 1 379 . 1 1 39 39 LEU HB3 H 1 1.279 . . 2 . . . . . . . . 6338 1 380 . 1 1 39 39 LEU HB2 H 1 2.081 . . 2 . . . . . . . . 6338 1 381 . 1 1 39 39 LEU CG C 13 27.789 . . 1 . . . . . . . . 6338 1 382 . 1 1 39 39 LEU HG H 1 1.657 . . 1 . . . . . . . . 6338 1 383 . 1 1 39 39 LEU CD1 C 13 23.047 . . 1 . . . . . . . . 6338 1 384 . 1 1 39 39 LEU HD11 H 1 0.711 . . 2 . . . . . . . . 6338 1 385 . 1 1 39 39 LEU HD12 H 1 0.711 . . 2 . . . . . . . . 6338 1 386 . 1 1 39 39 LEU HD13 H 1 0.711 . . 2 . . . . . . . . 6338 1 387 . 1 1 39 39 LEU C C 13 175.134 . . 1 . . . . . . . . 6338 1 388 . 1 1 40 40 VAL N N 15 118.260 . . 1 . . . . . . . . 6338 1 389 . 1 1 40 40 VAL H H 1 8.400 . . 1 . . . . . . . . 6338 1 390 . 1 1 40 40 VAL CA C 13 63.916 . . 1 . . . . . . . . 6338 1 391 . 1 1 40 40 VAL HA H 1 4.249 . . 1 . . . . . . . . 6338 1 392 . 1 1 40 40 VAL CB C 13 33.973 . . 1 . . . . . . . . 6338 1 393 . 1 1 40 40 VAL HB H 1 2.135 . . 1 . . . . . . . . 6338 1 394 . 1 1 40 40 VAL CG2 C 13 22.247 . . 1 . . . . . . . . 6338 1 395 . 1 1 40 40 VAL HG21 H 1 0.884 . . 2 . . . . . . . . 6338 1 396 . 1 1 40 40 VAL HG22 H 1 0.884 . . 2 . . . . . . . . 6338 1 397 . 1 1 40 40 VAL HG23 H 1 0.884 . . 2 . . . . . . . . 6338 1 398 . 1 1 40 40 VAL CG1 C 13 19.424 . . 1 . . . . . . . . 6338 1 399 . 1 1 40 40 VAL HG11 H 1 0.852 . . 2 . . . . . . . . 6338 1 400 . 1 1 40 40 VAL HG12 H 1 0.852 . . 2 . . . . . . . . 6338 1 401 . 1 1 40 40 VAL HG13 H 1 0.852 . . 2 . . . . . . . . 6338 1 402 . 1 1 40 40 VAL C C 13 177.134 . . 1 . . . . . . . . 6338 1 403 . 1 1 41 41 HIS N N 15 117.776 . . 1 . . . . . . . . 6338 1 404 . 1 1 41 41 HIS H H 1 7.497 . . 1 . . . . . . . . 6338 1 405 . 1 1 41 41 HIS CA C 13 56.766 . . 1 . . . . . . . . 6338 1 406 . 1 1 41 41 HIS HA H 1 5.251 . . 1 . . . . . . . . 6338 1 407 . 1 1 41 41 HIS CB C 13 33.376 . . 1 . . . . . . . . 6338 1 408 . 1 1 41 41 HIS HB3 H 1 3.164 . . 2 . . . . . . . . 6338 1 409 . 1 1 41 41 HIS HB2 H 1 3.301 . . 2 . . . . . . . . 6338 1 410 . 1 1 41 41 HIS HD2 H 1 7.120 . . 3 . . . . . . . . 6338 1 411 . 1 1 41 41 HIS C C 13 172.193 . . 1 . . . . . . . . 6338 1 412 . 1 1 42 42 THR N N 15 129.172 . . 1 . . . . . . . . 6338 1 413 . 1 1 42 42 THR H H 1 8.566 . . 1 . . . . . . . . 6338 1 414 . 1 1 42 42 THR CA C 13 63.573 . . 1 . . . . . . . . 6338 1 415 . 1 1 42 42 THR HA H 1 4.470 . . 1 . . . . . . . . 6338 1 416 . 1 1 42 42 THR CB C 13 67.959 . . 1 . . . . . . . . 6338 1 417 . 1 1 42 42 THR HB H 1 3.737 . . 1 . . . . . . . . 6338 1 418 . 1 1 42 42 THR CG2 C 13 21.014 . . 1 . . . . . . . . 6338 1 419 . 1 1 42 42 THR HG21 H 1 0.653 . . 1 . . . . . . . . 6338 1 420 . 1 1 42 42 THR HG22 H 1 0.653 . . 1 . . . . . . . . 6338 1 421 . 1 1 42 42 THR HG23 H 1 0.653 . . 1 . . . . . . . . 6338 1 422 . 1 1 42 42 THR C C 13 172.613 . . 1 . . . . . . . . 6338 1 423 . 1 1 43 43 TYR N N 15 128.345 . . 1 . . . . . . . . 6338 1 424 . 1 1 43 43 TYR H H 1 9.156 . . 1 . . . . . . . . 6338 1 425 . 1 1 43 43 TYR CA C 13 57.903 . . 1 . . . . . . . . 6338 1 426 . 1 1 43 43 TYR HA H 1 4.276 . . 1 . . . . . . . . 6338 1 427 . 1 1 43 43 TYR CB C 13 40.616 . . 1 . . . . . . . . 6338 1 428 . 1 1 43 43 TYR HB3 H 1 1.296 . . 2 . . . . . . . . 6338 1 429 . 1 1 43 43 TYR HB2 H 1 1.766 . . 2 . . . . . . . . 6338 1 430 . 1 1 43 43 TYR HD1 H 1 6.932 . . 3 . . . . . . . . 6338 1 431 . 1 1 43 43 TYR HE1 H 1 6.846 . . 3 . . . . . . . . 6338 1 432 . 1 1 43 43 TYR C C 13 172.023 . . 1 . . . . . . . . 6338 1 433 . 1 1 44 44 VAL N N 15 125.606 . . 1 . . . . . . . . 6338 1 434 . 1 1 44 44 VAL H H 1 7.375 . . 1 . . . . . . . . 6338 1 435 . 1 1 44 44 VAL CA C 13 58.016 . . 1 . . . . . . . . 6338 1 436 . 1 1 44 44 VAL HA H 1 3.947 . . 1 . . . . . . . . 6338 1 437 . 1 1 44 44 VAL CB C 13 34.949 . . 1 . . . . . . . . 6338 1 438 . 1 1 44 44 VAL HB H 1 1.560 . . 1 . . . . . . . . 6338 1 439 . 1 1 44 44 VAL CG2 C 13 21.610 . . 1 . . . . . . . . 6338 1 440 . 1 1 44 44 VAL HG21 H 1 0.623 . . 2 . . . . . . . . 6338 1 441 . 1 1 44 44 VAL HG22 H 1 0.623 . . 2 . . . . . . . . 6338 1 442 . 1 1 44 44 VAL HG23 H 1 0.623 . . 2 . . . . . . . . 6338 1 443 . 1 1 44 44 VAL CG1 C 13 20.877 . . 1 . . . . . . . . 6338 1 444 . 1 1 44 44 VAL HG11 H 1 0.454 . . 2 . . . . . . . . 6338 1 445 . 1 1 44 44 VAL HG12 H 1 0.454 . . 2 . . . . . . . . 6338 1 446 . 1 1 44 44 VAL HG13 H 1 0.454 . . 2 . . . . . . . . 6338 1 447 . 1 1 45 45 PRO HD2 H 1 3.463 . . 2 . . . . . . . . 6338 1 448 . 1 1 46 46 SER HA H 1 3.905 . . 1 . . . . . . . . 6338 1 449 . 1 1 47 47 PHE N N 15 115.415 . . 1 . . . . . . . . 6338 1 450 . 1 1 47 47 PHE H H 1 7.312 . . 1 . . . . . . . . 6338 1 451 . 1 1 47 47 PHE CA C 13 57.957 . . 1 . . . . . . . . 6338 1 452 . 1 1 47 47 PHE HA H 1 4.704 . . 1 . . . . . . . . 6338 1 453 . 1 1 47 47 PHE CB C 13 37.892 . . 1 . . . . . . . . 6338 1 454 . 1 1 47 47 PHE HB3 H 1 3.082 . . 2 . . . . . . . . 6338 1 455 . 1 1 47 47 PHE HB2 H 1 3.435 . . 2 . . . . . . . . 6338 1 456 . 1 1 47 47 PHE HD1 H 1 7.284 . . 3 . . . . . . . . 6338 1 457 . 1 1 47 47 PHE HE1 H 1 7.410 . . 3 . . . . . . . . 6338 1 458 . 1 1 47 47 PHE C C 13 175.654 . . 1 . . . . . . . . 6338 1 459 . 1 1 48 48 LYS N N 15 120.012 . . 1 . . . . . . . . 6338 1 460 . 1 1 48 48 LYS H H 1 7.548 . . 1 . . . . . . . . 6338 1 461 . 1 1 48 48 LYS CA C 13 55.242 . . 1 . . . . . . . . 6338 1 462 . 1 1 48 48 LYS HA H 1 4.418 . . 1 . . . . . . . . 6338 1 463 . 1 1 48 48 LYS CB C 13 33.446 . . 1 . . . . . . . . 6338 1 464 . 1 1 48 48 LYS HB3 H 1 1.050 . . 2 . . . . . . . . 6338 1 465 . 1 1 48 48 LYS HB2 H 1 2.000 . . 2 . . . . . . . . 6338 1 466 . 1 1 48 48 LYS CG C 13 25.228 . . 1 . . . . . . . . 6338 1 467 . 1 1 48 48 LYS HG3 H 1 1.011 . . 2 . . . . . . . . 6338 1 468 . 1 1 48 48 LYS HG2 H 1 0.827 . . 2 . . . . . . . . 6338 1 469 . 1 1 48 48 LYS CD C 13 29.581 . . 1 . . . . . . . . 6338 1 470 . 1 1 48 48 LYS HD2 H 1 1.420 . . 2 . . . . . . . . 6338 1 471 . 1 1 48 48 LYS CE C 13 41.827 . . 1 . . . . . . . . 6338 1 472 . 1 1 48 48 LYS HE2 H 1 2.931 . . 2 . . . . . . . . 6338 1 473 . 1 1 48 48 LYS C C 13 175.199 . . 1 . . . . . . . . 6338 1 474 . 1 1 49 49 ARG N N 15 119.548 . . 1 . . . . . . . . 6338 1 475 . 1 1 49 49 ARG H H 1 7.217 . . 1 . . . . . . . . 6338 1 476 . 1 1 49 49 ARG CA C 13 57.677 . . 1 . . . . . . . . 6338 1 477 . 1 1 49 49 ARG HA H 1 4.092 . . 1 . . . . . . . . 6338 1 478 . 1 1 49 49 ARG CB C 13 30.817 . . 1 . . . . . . . . 6338 1 479 . 1 1 49 49 ARG HB2 H 1 1.867 . . 2 . . . . . . . . 6338 1 480 . 1 1 49 49 ARG CG C 13 27.918 . . 1 . . . . . . . . 6338 1 481 . 1 1 49 49 ARG HG2 H 1 1.632 . . 2 . . . . . . . . 6338 1 482 . 1 1 49 49 ARG CD C 13 43.383 . . 1 . . . . . . . . 6338 1 483 . 1 1 49 49 ARG HD2 H 1 3.159 . . 2 . . . . . . . . 6338 1 484 . 1 1 49 49 ARG C C 13 176.850 . . 1 . . . . . . . . 6338 1 485 . 1 1 50 50 GLY N N 15 109.400 . . 1 . . . . . . . . 6338 1 486 . 1 1 50 50 GLY H H 1 8.990 . . 1 . . . . . . . . 6338 1 487 . 1 1 50 50 GLY CA C 13 46.424 . . 1 . . . . . . . . 6338 1 488 . 1 1 50 50 GLY HA3 H 1 3.873 . . 2 . . . . . . . . 6338 1 489 . 1 1 50 50 GLY HA2 H 1 4.114 . . 2 . . . . . . . . 6338 1 490 . 1 1 50 50 GLY C C 13 174.905 . . 1 . . . . . . . . 6338 1 491 . 1 1 51 51 LEU N N 15 120.198 . . 1 . . . . . . . . 6338 1 492 . 1 1 51 51 LEU H H 1 8.139 . . 1 . . . . . . . . 6338 1 493 . 1 1 51 51 LEU CA C 13 54.941 . . 1 . . . . . . . . 6338 1 494 . 1 1 51 51 LEU HA H 1 4.531 . . 1 . . . . . . . . 6338 1 495 . 1 1 51 51 LEU CB C 13 43.651 . . 1 . . . . . . . . 6338 1 496 . 1 1 51 51 LEU HB2 H 1 1.653 . . 2 . . . . . . . . 6338 1 497 . 1 1 51 51 LEU CG C 13 25.512 . . 1 . . . . . . . . 6338 1 498 . 1 1 51 51 LEU HG H 1 1.420 . . 1 . . . . . . . . 6338 1 499 . 1 1 51 51 LEU CD1 C 13 22.988 . . 1 . . . . . . . . 6338 1 500 . 1 1 51 51 LEU HD11 H 1 0.871 . . 2 . . . . . . . . 6338 1 501 . 1 1 51 51 LEU HD12 H 1 0.871 . . 2 . . . . . . . . 6338 1 502 . 1 1 51 51 LEU HD13 H 1 0.871 . . 2 . . . . . . . . 6338 1 503 . 1 1 51 51 LEU C C 13 177.718 . . 1 . . . . . . . . 6338 1 504 . 1 1 52 52 GLY N N 15 110.748 . . 1 . . . . . . . . 6338 1 505 . 1 1 52 52 GLY H H 1 8.745 . . 1 . . . . . . . . 6338 1 506 . 1 1 52 52 GLY CA C 13 46.726 . . 1 . . . . . . . . 6338 1 507 . 1 1 52 52 GLY HA2 H 1 3.954 . . 2 . . . . . . . . 6338 1 508 . 1 1 52 52 GLY C C 13 176.114 . . 1 . . . . . . . . 6338 1 509 . 1 1 53 53 LEU N N 15 118.922 . . 1 . . . . . . . . 6338 1 510 . 1 1 53 53 LEU H H 1 8.205 . . 1 . . . . . . . . 6338 1 511 . 1 1 53 53 LEU CA C 13 58.654 . . 1 . . . . . . . . 6338 1 512 . 1 1 53 53 LEU HA H 1 3.909 . . 1 . . . . . . . . 6338 1 513 . 1 1 53 53 LEU CB C 13 42.716 . . 1 . . . . . . . . 6338 1 514 . 1 1 53 53 LEU HB3 H 1 1.191 . . 2 . . . . . . . . 6338 1 515 . 1 1 53 53 LEU HB2 H 1 1.722 . . 2 . . . . . . . . 6338 1 516 . 1 1 53 53 LEU CG C 13 27.927 . . 1 . . . . . . . . 6338 1 517 . 1 1 53 53 LEU HG H 1 1.550 . . 1 . . . . . . . . 6338 1 518 . 1 1 53 53 LEU CD1 C 13 24.846 . . 1 . . . . . . . . 6338 1 519 . 1 1 53 53 LEU HD11 H 1 0.864 . . 2 . . . . . . . . 6338 1 520 . 1 1 53 53 LEU HD12 H 1 0.864 . . 2 . . . . . . . . 6338 1 521 . 1 1 53 53 LEU HD13 H 1 0.864 . . 2 . . . . . . . . 6338 1 522 . 1 1 53 53 LEU C C 13 177.684 . . 1 . . . . . . . . 6338 1 523 . 1 1 54 54 ALA N N 15 120.404 . . 1 . . . . . . . . 6338 1 524 . 1 1 54 54 ALA H H 1 8.540 . . 1 . . . . . . . . 6338 1 525 . 1 1 54 54 ALA CA C 13 56.410 . . 1 . . . . . . . . 6338 1 526 . 1 1 54 54 ALA HA H 1 3.458 . . 1 . . . . . . . . 6338 1 527 . 1 1 54 54 ALA CB C 13 16.517 . . 1 . . . . . . . . 6338 1 528 . 1 1 54 54 ALA HB1 H 1 0.553 . . 1 . . . . . . . . 6338 1 529 . 1 1 54 54 ALA HB2 H 1 0.553 . . 1 . . . . . . . . 6338 1 530 . 1 1 54 54 ALA HB3 H 1 0.553 . . 1 . . . . . . . . 6338 1 531 . 1 1 54 54 ALA C C 13 178.979 . . 1 . . . . . . . . 6338 1 532 . 1 1 55 55 SER N N 15 111.284 . . 1 . . . . . . . . 6338 1 533 . 1 1 55 55 SER H H 1 7.624 . . 1 . . . . . . . . 6338 1 534 . 1 1 55 55 SER CA C 13 62.932 . . 1 . . . . . . . . 6338 1 535 . 1 1 55 55 SER HA H 1 4.247 . . 1 . . . . . . . . 6338 1 536 . 1 1 55 55 SER HB2 H 1 3.968 . . 2 . . . . . . . . 6338 1 537 . 1 1 55 55 SER C C 13 176.083 . . 1 . . . . . . . . 6338 1 538 . 1 1 56 56 HIS N N 15 119.227 . . 1 . . . . . . . . 6338 1 539 . 1 1 56 56 HIS H H 1 7.571 . . 1 . . . . . . . . 6338 1 540 . 1 1 56 56 HIS CA C 13 60.067 . . 1 . . . . . . . . 6338 1 541 . 1 1 56 56 HIS HA H 1 4.424 . . 1 . . . . . . . . 6338 1 542 . 1 1 56 56 HIS CB C 13 30.971 . . 1 . . . . . . . . 6338 1 543 . 1 1 56 56 HIS HB2 H 1 3.007 . . 2 . . . . . . . . 6338 1 544 . 1 1 56 56 HIS HD2 H 1 6.903 . . 3 . . . . . . . . 6338 1 545 . 1 1 56 56 HIS C C 13 179.179 . . 1 . . . . . . . . 6338 1 546 . 1 1 57 57 LEU N N 15 121.398 . . 1 . . . . . . . . 6338 1 547 . 1 1 57 57 LEU H H 1 8.533 . . 1 . . . . . . . . 6338 1 548 . 1 1 57 57 LEU CA C 13 59.032 . . 1 . . . . . . . . 6338 1 549 . 1 1 57 57 LEU HA H 1 3.812 . . 1 . . . . . . . . 6338 1 550 . 1 1 57 57 LEU CB C 13 41.932 . . 1 . . . . . . . . 6338 1 551 . 1 1 57 57 LEU HB3 H 1 1.121 . . 2 . . . . . . . . 6338 1 552 . 1 1 57 57 LEU HB2 H 1 1.954 . . 2 . . . . . . . . 6338 1 553 . 1 1 57 57 LEU CG C 13 26.678 . . 1 . . . . . . . . 6338 1 554 . 1 1 57 57 LEU HG H 1 1.541 . . 1 . . . . . . . . 6338 1 555 . 1 1 57 57 LEU CD1 C 13 24.357 . . 1 . . . . . . . . 6338 1 556 . 1 1 57 57 LEU HD11 H 1 0.851 . . 2 . . . . . . . . 6338 1 557 . 1 1 57 57 LEU HD12 H 1 0.851 . . 2 . . . . . . . . 6338 1 558 . 1 1 57 57 LEU HD13 H 1 0.851 . . 2 . . . . . . . . 6338 1 559 . 1 1 57 57 LEU HD21 H 1 0.487 . . 2 . . . . . . . . 6338 1 560 . 1 1 57 57 LEU HD22 H 1 0.487 . . 2 . . . . . . . . 6338 1 561 . 1 1 57 57 LEU HD23 H 1 0.487 . . 2 . . . . . . . . 6338 1 562 . 1 1 57 57 LEU C C 13 177.331 . . 1 . . . . . . . . 6338 1 563 . 1 1 58 58 CYS N N 15 115.952 . . 1 . . . . . . . . 6338 1 564 . 1 1 58 58 CYS H H 1 7.275 . . 1 . . . . . . . . 6338 1 565 . 1 1 58 58 CYS CA C 13 64.855 . . 1 . . . . . . . . 6338 1 566 . 1 1 58 58 CYS HA H 1 3.569 . . 1 . . . . . . . . 6338 1 567 . 1 1 58 58 CYS CB C 13 25.286 . . 1 . . . . . . . . 6338 1 568 . 1 1 58 58 CYS HB3 H 1 0.712 . . 2 . . . . . . . . 6338 1 569 . 1 1 58 58 CYS HB2 H 1 2.299 . . 2 . . . . . . . . 6338 1 570 . 1 1 58 58 CYS C C 13 176.382 . . 1 . . . . . . . . 6338 1 571 . 1 1 59 59 VAL N N 15 119.617 . . 1 . . . . . . . . 6338 1 572 . 1 1 59 59 VAL H H 1 8.312 . . 1 . . . . . . . . 6338 1 573 . 1 1 59 59 VAL CA C 13 68.180 . . 1 . . . . . . . . 6338 1 574 . 1 1 59 59 VAL HA H 1 3.032 . . 1 . . . . . . . . 6338 1 575 . 1 1 59 59 VAL CB C 13 32.083 . . 1 . . . . . . . . 6338 1 576 . 1 1 59 59 VAL HB H 1 2.096 . . 1 . . . . . . . . 6338 1 577 . 1 1 59 59 VAL CG2 C 13 24.484 . . 1 . . . . . . . . 6338 1 578 . 1 1 59 59 VAL HG21 H 1 1.318 . . 2 . . . . . . . . 6338 1 579 . 1 1 59 59 VAL HG22 H 1 1.318 . . 2 . . . . . . . . 6338 1 580 . 1 1 59 59 VAL HG23 H 1 1.318 . . 2 . . . . . . . . 6338 1 581 . 1 1 59 59 VAL CG1 C 13 22.197 . . 1 . . . . . . . . 6338 1 582 . 1 1 59 59 VAL HG11 H 1 1.037 . . 2 . . . . . . . . 6338 1 583 . 1 1 59 59 VAL HG12 H 1 1.037 . . 2 . . . . . . . . 6338 1 584 . 1 1 59 59 VAL HG13 H 1 1.037 . . 2 . . . . . . . . 6338 1 585 . 1 1 59 59 VAL C C 13 176.722 . . 1 . . . . . . . . 6338 1 586 . 1 1 60 60 ALA N N 15 119.513 . . 1 . . . . . . . . 6338 1 587 . 1 1 60 60 ALA H H 1 7.342 . . 1 . . . . . . . . 6338 1 588 . 1 1 60 60 ALA CA C 13 55.324 . . 1 . . . . . . . . 6338 1 589 . 1 1 60 60 ALA HA H 1 3.915 . . 1 . . . . . . . . 6338 1 590 . 1 1 60 60 ALA CB C 13 18.617 . . 1 . . . . . . . . 6338 1 591 . 1 1 60 60 ALA HB1 H 1 1.304 . . 1 . . . . . . . . 6338 1 592 . 1 1 60 60 ALA HB2 H 1 1.304 . . 1 . . . . . . . . 6338 1 593 . 1 1 60 60 ALA HB3 H 1 1.304 . . 1 . . . . . . . . 6338 1 594 . 1 1 60 60 ALA C C 13 180.069 . . 1 . . . . . . . . 6338 1 595 . 1 1 61 61 ALA N N 15 120.981 . . 1 . . . . . . . . 6338 1 596 . 1 1 61 61 ALA H H 1 7.138 . . 1 . . . . . . . . 6338 1 597 . 1 1 61 61 ALA CA C 13 54.729 . . 1 . . . . . . . . 6338 1 598 . 1 1 61 61 ALA HA H 1 2.492 . . 1 . . . . . . . . 6338 1 599 . 1 1 61 61 ALA CB C 13 18.810 . . 1 . . . . . . . . 6338 1 600 . 1 1 61 61 ALA HB1 H 1 0.841 . . 1 . . . . . . . . 6338 1 601 . 1 1 61 61 ALA HB2 H 1 0.841 . . 1 . . . . . . . . 6338 1 602 . 1 1 61 61 ALA HB3 H 1 0.841 . . 1 . . . . . . . . 6338 1 603 . 1 1 61 61 ALA C C 13 178.665 . . 1 . . . . . . . . 6338 1 604 . 1 1 62 62 PHE N N 15 117.876 . . 1 . . . . . . . . 6338 1 605 . 1 1 62 62 PHE H H 1 8.122 . . 1 . . . . . . . . 6338 1 606 . 1 1 62 62 PHE CA C 13 62.535 . . 1 . . . . . . . . 6338 1 607 . 1 1 62 62 PHE HA H 1 3.376 . . 1 . . . . . . . . 6338 1 608 . 1 1 62 62 PHE CB C 13 35.772 . . 1 . . . . . . . . 6338 1 609 . 1 1 62 62 PHE HB3 H 1 1.051 . . 2 . . . . . . . . 6338 1 610 . 1 1 62 62 PHE HB2 H 1 1.706 . . 2 . . . . . . . . 6338 1 611 . 1 1 62 62 PHE HD1 H 1 7.121 . . 3 . . . . . . . . 6338 1 612 . 1 1 62 62 PHE HE1 H 1 6.891 . . 3 . . . . . . . . 6338 1 613 . 1 1 62 62 PHE C C 13 178.228 . . 1 . . . . . . . . 6338 1 614 . 1 1 63 63 GLU N N 15 119.595 . . 1 . . . . . . . . 6338 1 615 . 1 1 63 63 GLU H H 1 8.886 . . 1 . . . . . . . . 6338 1 616 . 1 1 63 63 GLU CA C 13 60.134 . . 1 . . . . . . . . 6338 1 617 . 1 1 63 63 GLU HA H 1 4.086 . . 1 . . . . . . . . 6338 1 618 . 1 1 63 63 GLU CB C 13 29.695 . . 1 . . . . . . . . 6338 1 619 . 1 1 63 63 GLU HB2 H 1 2.027 . . 2 . . . . . . . . 6338 1 620 . 1 1 63 63 GLU CG C 13 37.703 . . 1 . . . . . . . . 6338 1 621 . 1 1 63 63 GLU HG3 H 1 2.444 . . 2 . . . . . . . . 6338 1 622 . 1 1 63 63 GLU HG2 H 1 2.667 . . 2 . . . . . . . . 6338 1 623 . 1 1 63 63 GLU C C 13 180.341 . . 1 . . . . . . . . 6338 1 624 . 1 1 64 64 HIS N N 15 120.903 . . 1 . . . . . . . . 6338 1 625 . 1 1 64 64 HIS H H 1 7.745 . . 1 . . . . . . . . 6338 1 626 . 1 1 64 64 HIS CA C 13 60.516 . . 1 . . . . . . . . 6338 1 627 . 1 1 64 64 HIS HA H 1 3.997 . . 1 . . . . . . . . 6338 1 628 . 1 1 64 64 HIS CB C 13 31.311 . . 1 . . . . . . . . 6338 1 629 . 1 1 64 64 HIS HB3 H 1 2.779 . . 2 . . . . . . . . 6338 1 630 . 1 1 64 64 HIS HB2 H 1 2.955 . . 2 . . . . . . . . 6338 1 631 . 1 1 64 64 HIS C C 13 178.475 . . 1 . . . . . . . . 6338 1 632 . 1 1 65 65 ALA N N 15 123.381 . . 1 . . . . . . . . 6338 1 633 . 1 1 65 65 ALA H H 1 8.357 . . 1 . . . . . . . . 6338 1 634 . 1 1 65 65 ALA CA C 13 56.235 . . 1 . . . . . . . . 6338 1 635 . 1 1 65 65 ALA HA H 1 3.733 . . 1 . . . . . . . . 6338 1 636 . 1 1 65 65 ALA CB C 13 17.950 . . 1 . . . . . . . . 6338 1 637 . 1 1 65 65 ALA HB1 H 1 1.339 . . 1 . . . . . . . . 6338 1 638 . 1 1 65 65 ALA HB2 H 1 1.339 . . 1 . . . . . . . . 6338 1 639 . 1 1 65 65 ALA HB3 H 1 1.339 . . 1 . . . . . . . . 6338 1 640 . 1 1 65 65 ALA C C 13 179.494 . . 1 . . . . . . . . 6338 1 641 . 1 1 66 66 SER N N 15 111.510 . . 1 . . . . . . . . 6338 1 642 . 1 1 66 66 SER H H 1 8.608 . . 1 . . . . . . . . 6338 1 643 . 1 1 66 66 SER CA C 13 61.426 . . 1 . . . . . . . . 6338 1 644 . 1 1 66 66 SER HA H 1 4.316 . . 1 . . . . . . . . 6338 1 645 . 1 1 66 66 SER CB C 13 63.732 . . 1 . . . . . . . . 6338 1 646 . 1 1 66 66 SER C C 13 178.575 . . 1 . . . . . . . . 6338 1 647 . 1 1 67 67 SER N N 15 114.548 . . 1 . . . . . . . . 6338 1 648 . 1 1 67 67 SER H H 1 8.223 . . 1 . . . . . . . . 6338 1 649 . 1 1 67 67 SER CA C 13 60.839 . . 1 . . . . . . . . 6338 1 650 . 1 1 67 67 SER HA H 1 4.292 . . 1 . . . . . . . . 6338 1 651 . 1 1 67 67 SER CB C 13 63.628 . . 1 . . . . . . . . 6338 1 652 . 1 1 67 67 SER HB2 H 1 3.867 . . 2 . . . . . . . . 6338 1 653 . 1 1 67 67 SER C C 13 175.448 . . 1 . . . . . . . . 6338 1 654 . 1 1 68 68 HIS N N 15 117.149 . . 1 . . . . . . . . 6338 1 655 . 1 1 68 68 HIS H H 1 7.694 . . 1 . . . . . . . . 6338 1 656 . 1 1 68 68 HIS CA C 13 56.822 . . 1 . . . . . . . . 6338 1 657 . 1 1 68 68 HIS HA H 1 4.555 . . 1 . . . . . . . . 6338 1 658 . 1 1 68 68 HIS CB C 13 29.019 . . 1 . . . . . . . . 6338 1 659 . 1 1 68 68 HIS HB3 H 1 2.338 . . 2 . . . . . . . . 6338 1 660 . 1 1 68 68 HIS HB2 H 1 3.434 . . 2 . . . . . . . . 6338 1 661 . 1 1 68 68 HIS HD1 H 1 6.826 . . 3 . . . . . . . . 6338 1 662 . 1 1 68 68 HIS C C 13 172.823 . . 1 . . . . . . . . 6338 1 663 . 1 1 69 69 SER N N 15 113.951 . . 1 . . . . . . . . 6338 1 664 . 1 1 69 69 SER H H 1 7.789 . . 1 . . . . . . . . 6338 1 665 . 1 1 69 69 SER CA C 13 59.404 . . 1 . . . . . . . . 6338 1 666 . 1 1 69 69 SER HA H 1 4.178 . . 1 . . . . . . . . 6338 1 667 . 1 1 69 69 SER CB C 13 61.456 . . 1 . . . . . . . . 6338 1 668 . 1 1 69 69 SER C C 13 173.636 . . 1 . . . . . . . . 6338 1 669 . 1 1 70 70 ILE N N 15 117.875 . . 1 . . . . . . . . 6338 1 670 . 1 1 70 70 ILE H H 1 8.153 . . 1 . . . . . . . . 6338 1 671 . 1 1 70 70 ILE CA C 13 60.100 . . 1 . . . . . . . . 6338 1 672 . 1 1 70 70 ILE HA H 1 4.583 . . 1 . . . . . . . . 6338 1 673 . 1 1 70 70 ILE CB C 13 42.106 . . 1 . . . . . . . . 6338 1 674 . 1 1 70 70 ILE HB H 1 1.643 . . 1 . . . . . . . . 6338 1 675 . 1 1 70 70 ILE CG1 C 13 27.262 . . 2 . . . . . . . . 6338 1 676 . 1 1 70 70 ILE HG12 H 1 1.409 . . 1 . . . . . . . . 6338 1 677 . 1 1 70 70 ILE CD1 C 13 15.117 . . 1 . . . . . . . . 6338 1 678 . 1 1 70 70 ILE HD11 H 1 0.894 . . 1 . . . . . . . . 6338 1 679 . 1 1 70 70 ILE HD12 H 1 0.894 . . 1 . . . . . . . . 6338 1 680 . 1 1 70 70 ILE HD13 H 1 0.894 . . 1 . . . . . . . . 6338 1 681 . 1 1 70 70 ILE CG2 C 13 19.098 . . 1 . . . . . . . . 6338 1 682 . 1 1 70 70 ILE C C 13 174.758 . . 1 . . . . . . . . 6338 1 683 . 1 1 71 71 SER N N 15 116.374 . . 1 . . . . . . . . 6338 1 684 . 1 1 71 71 SER H H 1 7.683 . . 1 . . . . . . . . 6338 1 685 . 1 1 71 71 SER CA C 13 57.409 . . 1 . . . . . . . . 6338 1 686 . 1 1 71 71 SER HA H 1 5.661 . . 1 . . . . . . . . 6338 1 687 . 1 1 71 71 SER CB C 13 65.894 . . 1 . . . . . . . . 6338 1 688 . 1 1 71 71 SER HB2 H 1 5.204 . . 2 . . . . . . . . 6338 1 689 . 1 1 71 71 SER C C 13 173.423 . . 1 . . . . . . . . 6338 1 690 . 1 1 72 72 ILE N N 15 120.053 . . 1 . . . . . . . . 6338 1 691 . 1 1 72 72 ILE H H 1 8.725 . . 1 . . . . . . . . 6338 1 692 . 1 1 72 72 ILE CA C 13 59.100 . . 1 . . . . . . . . 6338 1 693 . 1 1 72 72 ILE HA H 1 5.306 . . 1 . . . . . . . . 6338 1 694 . 1 1 72 72 ILE CB C 13 42.852 . . 1 . . . . . . . . 6338 1 695 . 1 1 72 72 ILE HB H 1 1.294 . . 1 . . . . . . . . 6338 1 696 . 1 1 72 72 ILE CG1 C 13 28.019 . . 2 . . . . . . . . 6338 1 697 . 1 1 72 72 ILE HG13 H 1 0.814 . . 1 . . . . . . . . 6338 1 698 . 1 1 72 72 ILE HG12 H 1 0.743 . . 1 . . . . . . . . 6338 1 699 . 1 1 72 72 ILE CD1 C 13 12.320 . . 1 . . . . . . . . 6338 1 700 . 1 1 72 72 ILE HD11 H 1 -0.156 . . 1 . . . . . . . . 6338 1 701 . 1 1 72 72 ILE HD12 H 1 -0.156 . . 1 . . . . . . . . 6338 1 702 . 1 1 72 72 ILE HD13 H 1 -0.156 . . 1 . . . . . . . . 6338 1 703 . 1 1 72 72 ILE CG2 C 13 17.403 . . 1 . . . . . . . . 6338 1 704 . 1 1 72 72 ILE HG21 H 1 0.427 . . 1 . . . . . . . . 6338 1 705 . 1 1 72 72 ILE HG22 H 1 0.427 . . 1 . . . . . . . . 6338 1 706 . 1 1 72 72 ILE HG23 H 1 0.427 . . 1 . . . . . . . . 6338 1 707 . 1 1 72 72 ILE C C 13 176.989 . . 1 . . . . . . . . 6338 1 708 . 1 1 73 73 ILE N N 15 126.678 . . 1 . . . . . . . . 6338 1 709 . 1 1 73 73 ILE H H 1 8.636 . . 1 . . . . . . . . 6338 1 710 . 1 1 73 73 ILE CA C 13 58.005 . . 1 . . . . . . . . 6338 1 711 . 1 1 73 73 ILE HA H 1 4.892 . . 1 . . . . . . . . 6338 1 712 . 1 1 73 73 ILE CB C 13 41.237 . . 1 . . . . . . . . 6338 1 713 . 1 1 73 73 ILE HB H 1 1.612 . . 1 . . . . . . . . 6338 1 714 . 1 1 74 74 PRO CA C 13 60.328 . . 1 . . . . . . . . 6338 1 715 . 1 1 74 74 PRO HA H 1 4.850 . . 1 . . . . . . . . 6338 1 716 . 1 1 74 74 PRO CB C 13 30.204 . . 1 . . . . . . . . 6338 1 717 . 1 1 74 74 PRO HB3 H 1 1.514 . . 2 . . . . . . . . 6338 1 718 . 1 1 74 74 PRO HB2 H 1 2.253 . . 2 . . . . . . . . 6338 1 719 . 1 1 74 74 PRO CG C 13 27.122 . . 1 . . . . . . . . 6338 1 720 . 1 1 74 74 PRO HG2 H 1 2.030 . . 2 . . . . . . . . 6338 1 721 . 1 1 74 74 PRO CD C 13 50.433 . . 1 . . . . . . . . 6338 1 722 . 1 1 74 74 PRO HD2 H 1 4.050 . . 2 . . . . . . . . 6338 1 723 . 1 1 75 75 SER N N 15 121.447 . . 1 . . . . . . . . 6338 1 724 . 1 1 75 75 SER H H 1 7.759 . . 1 . . . . . . . . 6338 1 725 . 1 1 75 75 SER CA C 13 63.641 . . 1 . . . . . . . . 6338 1 726 . 1 1 75 75 SER HA H 1 4.156 . . 1 . . . . . . . . 6338 1 727 . 1 1 75 75 SER CB C 13 62.144 . . 1 . . . . . . . . 6338 1 728 . 1 1 75 75 SER HB2 H 1 3.807 . . 2 . . . . . . . . 6338 1 729 . 1 1 75 75 SER C C 13 175.613 . . 1 . . . . . . . . 6338 1 730 . 1 1 76 76 CYS N N 15 124.611 . . 1 . . . . . . . . 6338 1 731 . 1 1 76 76 CYS H H 1 8.201 . . 1 . . . . . . . . 6338 1 732 . 1 1 76 76 CYS CA C 13 60.637 . . 1 . . . . . . . . 6338 1 733 . 1 1 76 76 CYS HA H 1 4.128 . . 1 . . . . . . . . 6338 1 734 . 1 1 76 76 CYS CB C 13 29.541 . . 1 . . . . . . . . 6338 1 735 . 1 1 76 76 CYS HB3 H 1 2.565 . . 2 . . . . . . . . 6338 1 736 . 1 1 76 76 CYS HB2 H 1 2.734 . . 2 . . . . . . . . 6338 1 737 . 1 1 76 76 CYS C C 13 176.635 . . 1 . . . . . . . . 6338 1 738 . 1 1 77 77 SER N N 15 125.258 . . 1 . . . . . . . . 6338 1 739 . 1 1 77 77 SER H H 1 8.674 . . 1 . . . . . . . . 6338 1 740 . 1 1 77 77 SER CA C 13 61.294 . . 1 . . . . . . . . 6338 1 741 . 1 1 77 77 SER HA H 1 4.460 . . 1 . . . . . . . . 6338 1 742 . 1 1 77 77 SER CB C 13 63.460 . . 1 . . . . . . . . 6338 1 743 . 1 1 77 77 SER HB2 H 1 4.028 . . 2 . . . . . . . . 6338 1 744 . 1 1 77 77 SER C C 13 177.783 . . 1 . . . . . . . . 6338 1 745 . 1 1 78 78 TYR N N 15 130.081 . . 1 . . . . . . . . 6338 1 746 . 1 1 78 78 TYR H H 1 10.133 . . 1 . . . . . . . . 6338 1 747 . 1 1 78 78 TYR CA C 13 63.923 . . 1 . . . . . . . . 6338 1 748 . 1 1 78 78 TYR HA H 1 4.142 . . 1 . . . . . . . . 6338 1 749 . 1 1 78 78 TYR CB C 13 38.634 . . 1 . . . . . . . . 6338 1 750 . 1 1 78 78 TYR HB3 H 1 3.238 . . 2 . . . . . . . . 6338 1 751 . 1 1 78 78 TYR HB2 H 1 3.158 . . 2 . . . . . . . . 6338 1 752 . 1 1 78 78 TYR HD1 H 1 6.890 . . 3 . . . . . . . . 6338 1 753 . 1 1 78 78 TYR HE1 H 1 6.700 . . 3 . . . . . . . . 6338 1 754 . 1 1 78 78 TYR C C 13 178.876 . . 1 . . . . . . . . 6338 1 755 . 1 1 79 79 VAL N N 15 121.970 . . 1 . . . . . . . . 6338 1 756 . 1 1 79 79 VAL H H 1 8.066 . . 1 . . . . . . . . 6338 1 757 . 1 1 79 79 VAL CA C 13 66.766 . . 1 . . . . . . . . 6338 1 758 . 1 1 79 79 VAL HA H 1 3.663 . . 1 . . . . . . . . 6338 1 759 . 1 1 79 79 VAL CB C 13 32.680 . . 1 . . . . . . . . 6338 1 760 . 1 1 79 79 VAL HB H 1 2.279 . . 1 . . . . . . . . 6338 1 761 . 1 1 79 79 VAL HG21 H 1 1.360 . . 2 . . . . . . . . 6338 1 762 . 1 1 79 79 VAL HG22 H 1 1.360 . . 2 . . . . . . . . 6338 1 763 . 1 1 79 79 VAL HG23 H 1 1.360 . . 2 . . . . . . . . 6338 1 764 . 1 1 79 79 VAL CG1 C 13 23.504 . . 1 . . . . . . . . 6338 1 765 . 1 1 79 79 VAL HG11 H 1 1.189 . . 2 . . . . . . . . 6338 1 766 . 1 1 79 79 VAL HG12 H 1 1.189 . . 2 . . . . . . . . 6338 1 767 . 1 1 79 79 VAL HG13 H 1 1.189 . . 2 . . . . . . . . 6338 1 768 . 1 1 79 79 VAL C C 13 177.571 . . 1 . . . . . . . . 6338 1 769 . 1 1 80 80 SER N N 15 111.020 . . 1 . . . . . . . . 6338 1 770 . 1 1 80 80 SER H H 1 8.549 . . 1 . . . . . . . . 6338 1 771 . 1 1 80 80 SER CA C 13 62.226 . . 1 . . . . . . . . 6338 1 772 . 1 1 80 80 SER HA H 1 4.123 . . 1 . . . . . . . . 6338 1 773 . 1 1 80 80 SER CB C 13 63.521 . . 1 . . . . . . . . 6338 1 774 . 1 1 80 80 SER C C 13 176.039 . . 1 . . . . . . . . 6338 1 775 . 1 1 81 81 ASP N N 15 117.814 . . 1 . . . . . . . . 6338 1 776 . 1 1 81 81 ASP H H 1 8.362 . . 1 . . . . . . . . 6338 1 777 . 1 1 81 81 ASP CA C 13 55.764 . . 1 . . . . . . . . 6338 1 778 . 1 1 81 81 ASP HA H 1 4.768 . . 1 . . . . . . . . 6338 1 779 . 1 1 81 81 ASP CB C 13 41.305 . . 1 . . . . . . . . 6338 1 780 . 1 1 81 81 ASP HB3 H 1 2.651 . . 2 . . . . . . . . 6338 1 781 . 1 1 81 81 ASP HB2 H 1 2.939 . . 2 . . . . . . . . 6338 1 782 . 1 1 81 81 ASP C C 13 176.969 . . 1 . . . . . . . . 6338 1 783 . 1 1 82 82 THR N N 15 115.189 . . 1 . . . . . . . . 6338 1 784 . 1 1 82 82 THR H H 1 7.409 . . 1 . . . . . . . . 6338 1 785 . 1 1 82 82 THR CA C 13 65.203 . . 1 . . . . . . . . 6338 1 786 . 1 1 82 82 THR HA H 1 4.271 . . 1 . . . . . . . . 6338 1 787 . 1 1 82 82 THR CB C 13 69.264 . . 1 . . . . . . . . 6338 1 788 . 1 1 82 82 THR HB H 1 3.248 . . 1 . . . . . . . . 6338 1 789 . 1 1 82 82 THR CG2 C 13 22.600 . . 1 . . . . . . . . 6338 1 790 . 1 1 82 82 THR HG21 H 1 0.959 . . 1 . . . . . . . . 6338 1 791 . 1 1 82 82 THR HG22 H 1 0.959 . . 1 . . . . . . . . 6338 1 792 . 1 1 82 82 THR HG23 H 1 0.959 . . 1 . . . . . . . . 6338 1 793 . 1 1 82 82 THR C C 13 173.922 . . 1 . . . . . . . . 6338 1 794 . 1 1 83 83 PHE N N 15 121.170 . . 1 . . . . . . . . 6338 1 795 . 1 1 83 83 PHE H H 1 8.206 . . 1 . . . . . . . . 6338 1 796 . 1 1 83 83 PHE CA C 13 63.173 . . 1 . . . . . . . . 6338 1 797 . 1 1 83 83 PHE HA H 1 3.989 . . 1 . . . . . . . . 6338 1 798 . 1 1 83 83 PHE CB C 13 41.112 . . 1 . . . . . . . . 6338 1 799 . 1 1 83 83 PHE HB3 H 1 3.218 . . 2 . . . . . . . . 6338 1 800 . 1 1 83 83 PHE HB2 H 1 3.177 . . 2 . . . . . . . . 6338 1 801 . 1 1 83 83 PHE HD1 H 1 6.808 . . 3 . . . . . . . . 6338 1 802 . 1 1 83 83 PHE C C 13 177.930 . . 1 . . . . . . . . 6338 1 803 . 1 1 84 84 LEU N N 15 119.657 . . 1 . . . . . . . . 6338 1 804 . 1 1 84 84 LEU H H 1 8.583 . . 1 . . . . . . . . 6338 1 805 . 1 1 84 84 LEU CA C 13 59.647 . . 1 . . . . . . . . 6338 1 806 . 1 1 84 84 LEU HA H 1 3.882 . . 1 . . . . . . . . 6338 1 807 . 1 1 84 84 LEU CB C 13 40.242 . . 1 . . . . . . . . 6338 1 808 . 1 1 84 84 LEU HB3 H 1 1.457 . . 2 . . . . . . . . 6338 1 809 . 1 1 84 84 LEU HB2 H 1 2.054 . . 2 . . . . . . . . 6338 1 810 . 1 1 84 84 LEU HG H 1 1.776 . . 1 . . . . . . . . 6338 1 811 . 1 1 84 84 LEU HD11 H 1 1.066 . . 2 . . . . . . . . 6338 1 812 . 1 1 84 84 LEU HD12 H 1 1.066 . . 2 . . . . . . . . 6338 1 813 . 1 1 84 84 LEU HD13 H 1 1.066 . . 2 . . . . . . . . 6338 1 814 . 1 1 84 84 LEU HD21 H 1 0.875 . . 2 . . . . . . . . 6338 1 815 . 1 1 84 84 LEU HD22 H 1 0.875 . . 2 . . . . . . . . 6338 1 816 . 1 1 84 84 LEU HD23 H 1 0.875 . . 2 . . . . . . . . 6338 1 817 . 1 1 85 85 PRO CA C 13 66.031 . . 1 . . . . . . . . 6338 1 818 . 1 1 85 85 PRO HA H 1 4.135 . . 1 . . . . . . . . 6338 1 819 . 1 1 85 85 PRO CB C 13 31.628 . . 1 . . . . . . . . 6338 1 820 . 1 1 85 85 PRO HB3 H 1 1.573 . . 2 . . . . . . . . 6338 1 821 . 1 1 85 85 PRO HB2 H 1 2.289 . . 2 . . . . . . . . 6338 1 822 . 1 1 85 85 PRO CG C 13 28.889 . . 1 . . . . . . . . 6338 1 823 . 1 1 85 85 PRO HG2 H 1 1.884 . . 2 . . . . . . . . 6338 1 824 . 1 1 85 85 PRO CD C 13 50.210 . . 1 . . . . . . . . 6338 1 825 . 1 1 85 85 PRO HD3 H 1 2.906 . . 2 . . . . . . . . 6338 1 826 . 1 1 85 85 PRO HD2 H 1 3.585 . . 2 . . . . . . . . 6338 1 827 . 1 1 85 85 PRO C C 13 178.127 . . 1 . . . . . . . . 6338 1 828 . 1 1 86 86 ARG N N 15 111.780 . . 1 . . . . . . . . 6338 1 829 . 1 1 86 86 ARG H H 1 6.599 . . 1 . . . . . . . . 6338 1 830 . 1 1 86 86 ARG CA C 13 56.523 . . 1 . . . . . . . . 6338 1 831 . 1 1 86 86 ARG HA H 1 4.177 . . 1 . . . . . . . . 6338 1 832 . 1 1 86 86 ARG CB C 13 31.735 . . 1 . . . . . . . . 6338 1 833 . 1 1 86 86 ARG HB2 H 1 1.592 . . 2 . . . . . . . . 6338 1 834 . 1 1 86 86 ARG CG C 13 28.117 . . 1 . . . . . . . . 6338 1 835 . 1 1 86 86 ARG CD C 13 43.759 . . 1 . . . . . . . . 6338 1 836 . 1 1 86 86 ARG HD2 H 1 3.085 . . 2 . . . . . . . . 6338 1 837 . 1 1 86 86 ARG C C 13 177.134 . . 1 . . . . . . . . 6338 1 838 . 1 1 87 87 ASN N N 15 118.040 . . 1 . . . . . . . . 6338 1 839 . 1 1 87 87 ASN H H 1 7.513 . . 1 . . . . . . . . 6338 1 840 . 1 1 87 87 ASN CA C 13 51.743 . . 1 . . . . . . . . 6338 1 841 . 1 1 87 87 ASN HA H 1 5.010 . . 1 . . . . . . . . 6338 1 842 . 1 1 87 87 ASN CB C 13 41.009 . . 1 . . . . . . . . 6338 1 843 . 1 1 87 87 ASN HB3 H 1 1.706 . . 2 . . . . . . . . 6338 1 844 . 1 1 87 87 ASN HB2 H 1 2.113 . . 2 . . . . . . . . 6338 1 845 . 1 1 88 88 PRO CA C 13 65.238 . . 1 . . . . . . . . 6338 1 846 . 1 1 88 88 PRO CB C 13 32.099 . . 1 . . . . . . . . 6338 1 847 . 1 1 88 88 PRO HB3 H 1 2.222 . . 2 . . . . . . . . 6338 1 848 . 1 1 88 88 PRO HB2 H 1 1.979 . . 2 . . . . . . . . 6338 1 849 . 1 1 88 88 PRO CG C 13 27.613 . . 1 . . . . . . . . 6338 1 850 . 1 1 88 88 PRO CD C 13 50.750 . . 1 . . . . . . . . 6338 1 851 . 1 1 89 89 SER N N 15 117.427 . . 1 . . . . . . . . 6338 1 852 . 1 1 89 89 SER H H 1 8.354 . . 1 . . . . . . . . 6338 1 853 . 1 1 89 89 SER CA C 13 61.103 . . 1 . . . . . . . . 6338 1 854 . 1 1 89 89 SER HA H 1 4.005 . . 1 . . . . . . . . 6338 1 855 . 1 1 89 89 SER CB C 13 62.297 . . 1 . . . . . . . . 6338 1 856 . 1 1 89 89 SER HB2 H 1 3.503 . . 2 . . . . . . . . 6338 1 857 . 1 1 89 89 SER C C 13 175.071 . . 1 . . . . . . . . 6338 1 858 . 1 1 90 90 TRP N N 15 118.912 . . 1 . . . . . . . . 6338 1 859 . 1 1 90 90 TRP H H 1 7.344 . . 1 . . . . . . . . 6338 1 860 . 1 1 90 90 TRP CA C 13 56.952 . . 1 . . . . . . . . 6338 1 861 . 1 1 90 90 TRP HA H 1 4.982 . . 1 . . . . . . . . 6338 1 862 . 1 1 90 90 TRP CB C 13 31.308 . . 1 . . . . . . . . 6338 1 863 . 1 1 90 90 TRP HB3 H 1 2.490 . . 2 . . . . . . . . 6338 1 864 . 1 1 90 90 TRP HB2 H 1 3.465 . . 2 . . . . . . . . 6338 1 865 . 1 1 90 90 TRP NE1 N 15 126.974 . . 1 . . . . . . . . 6338 1 866 . 1 1 90 90 TRP HE1 H 1 10.326 . . 3 . . . . . . . . 6338 1 867 . 1 1 90 90 TRP C C 13 176.360 . . 1 . . . . . . . . 6338 1 868 . 1 1 91 91 LYS N N 15 120.111 . . 1 . . . . . . . . 6338 1 869 . 1 1 91 91 LYS H H 1 7.616 . . 1 . . . . . . . . 6338 1 870 . 1 1 91 91 LYS CA C 13 61.719 . . 1 . . . . . . . . 6338 1 871 . 1 1 91 91 LYS HA H 1 4.117 . . 1 . . . . . . . . 6338 1 872 . 1 1 91 91 LYS CB C 13 31.216 . . 1 . . . . . . . . 6338 1 873 . 1 1 91 91 LYS HB2 H 1 1.979 . . 2 . . . . . . . . 6338 1 874 . 1 1 92 92 PRO CA C 13 66.074 . . 1 . . . . . . . . 6338 1 875 . 1 1 92 92 PRO HA H 1 4.489 . . 1 . . . . . . . . 6338 1 876 . 1 1 92 92 PRO CB C 13 31.778 . . 1 . . . . . . . . 6338 1 877 . 1 1 92 92 PRO HB3 H 1 2.461 . . 2 . . . . . . . . 6338 1 878 . 1 1 92 92 PRO HB2 H 1 1.780 . . 2 . . . . . . . . 6338 1 879 . 1 1 92 92 PRO CG C 13 28.611 . . 1 . . . . . . . . 6338 1 880 . 1 1 92 92 PRO HG2 H 1 2.040 . . 2 . . . . . . . . 6338 1 881 . 1 1 92 92 PRO CD C 13 51.675 . . 1 . . . . . . . . 6338 1 882 . 1 1 92 92 PRO HD2 H 1 3.565 . . 2 . . . . . . . . 6338 1 883 . 1 1 92 92 PRO C C 13 176.582 . . 1 . . . . . . . . 6338 1 884 . 1 1 93 93 LEU N N 15 116.946 . . 1 . . . . . . . . 6338 1 885 . 1 1 93 93 LEU H H 1 7.901 . . 1 . . . . . . . . 6338 1 886 . 1 1 93 93 LEU CA C 13 55.113 . . 1 . . . . . . . . 6338 1 887 . 1 1 93 93 LEU HA H 1 4.502 . . 1 . . . . . . . . 6338 1 888 . 1 1 93 93 LEU CB C 13 43.258 . . 1 . . . . . . . . 6338 1 889 . 1 1 93 93 LEU HB3 H 1 2.066 . . 2 . . . . . . . . 6338 1 890 . 1 1 93 93 LEU HB2 H 1 2.268 . . 2 . . . . . . . . 6338 1 891 . 1 1 93 93 LEU CG C 13 29.407 . . 1 . . . . . . . . 6338 1 892 . 1 1 93 93 LEU HG H 1 2.231 . . 1 . . . . . . . . 6338 1 893 . 1 1 93 93 LEU CD1 C 13 25.902 . . 1 . . . . . . . . 6338 1 894 . 1 1 93 93 LEU HD11 H 1 1.225 . . 2 . . . . . . . . 6338 1 895 . 1 1 93 93 LEU HD12 H 1 1.225 . . 2 . . . . . . . . 6338 1 896 . 1 1 93 93 LEU HD13 H 1 1.225 . . 2 . . . . . . . . 6338 1 897 . 1 1 93 93 LEU C C 13 176.601 . . 1 . . . . . . . . 6338 1 898 . 1 1 94 94 ILE N N 15 119.271 . . 1 . . . . . . . . 6338 1 899 . 1 1 94 94 ILE H H 1 7.900 . . 1 . . . . . . . . 6338 1 900 . 1 1 94 94 ILE CA C 13 59.589 . . 1 . . . . . . . . 6338 1 901 . 1 1 94 94 ILE HA H 1 4.618 . . 1 . . . . . . . . 6338 1 902 . 1 1 94 94 ILE CB C 13 36.216 . . 1 . . . . . . . . 6338 1 903 . 1 1 94 94 ILE HB H 1 2.313 . . 1 . . . . . . . . 6338 1 904 . 1 1 94 94 ILE CG1 C 13 27.832 . . 2 . . . . . . . . 6338 1 905 . 1 1 94 94 ILE HG12 H 1 1.892 . . 1 . . . . . . . . 6338 1 906 . 1 1 94 94 ILE CD1 C 13 17.710 . . 1 . . . . . . . . 6338 1 907 . 1 1 94 94 ILE HD11 H 1 1.059 . . 1 . . . . . . . . 6338 1 908 . 1 1 94 94 ILE HD12 H 1 1.059 . . 1 . . . . . . . . 6338 1 909 . 1 1 94 94 ILE HD13 H 1 1.059 . . 1 . . . . . . . . 6338 1 910 . 1 1 94 94 ILE CG2 C 13 21.770 . . 1 . . . . . . . . 6338 1 911 . 1 1 94 94 ILE HG21 H 1 1.653 . . 1 . . . . . . . . 6338 1 912 . 1 1 94 94 ILE HG22 H 1 1.653 . . 1 . . . . . . . . 6338 1 913 . 1 1 94 94 ILE HG23 H 1 1.653 . . 1 . . . . . . . . 6338 1 914 . 1 1 94 94 ILE C C 13 177.094 . . 1 . . . . . . . . 6338 1 915 . 1 1 95 95 HIS N N 15 129.375 . . 1 . . . . . . . . 6338 1 916 . 1 1 95 95 HIS H H 1 9.230 . . 1 . . . . . . . . 6338 1 917 . 1 1 95 95 HIS CA C 13 57.690 . . 1 . . . . . . . . 6338 1 918 . 1 1 95 95 HIS HA H 1 4.460 . . 1 . . . . . . . . 6338 1 919 . 1 1 95 95 HIS CB C 13 31.759 . . 1 . . . . . . . . 6338 1 920 . 1 1 95 95 HIS HB2 H 1 2.856 . . 2 . . . . . . . . 6338 1 921 . 1 1 95 95 HIS C C 13 174.767 . . 1 . . . . . . . . 6338 1 922 . 1 1 96 96 SER N N 15 120.277 . . 1 . . . . . . . . 6338 1 923 . 1 1 96 96 SER H H 1 7.868 . . 1 . . . . . . . . 6338 1 924 . 1 1 96 96 SER CA C 13 58.063 . . 1 . . . . . . . . 6338 1 925 . 1 1 96 96 SER HA H 1 4.324 . . 1 . . . . . . . . 6338 1 926 . 1 1 96 96 SER CB C 13 64.291 . . 1 . . . . . . . . 6338 1 927 . 1 1 96 96 SER HB2 H 1 3.727 . . 2 . . . . . . . . 6338 1 928 . 1 1 96 96 SER C C 13 173.782 . . 1 . . . . . . . . 6338 1 929 . 1 1 97 97 GLU N N 15 122.717 . . 1 . . . . . . . . 6338 1 930 . 1 1 97 97 GLU H H 1 8.047 . . 1 . . . . . . . . 6338 1 931 . 1 1 97 97 GLU CA C 13 56.703 . . 1 . . . . . . . . 6338 1 932 . 1 1 97 97 GLU HA H 1 4.200 . . 1 . . . . . . . . 6338 1 933 . 1 1 97 97 GLU CB C 13 30.912 . . 1 . . . . . . . . 6338 1 934 . 1 1 97 97 GLU HB3 H 1 1.807 . . 2 . . . . . . . . 6338 1 935 . 1 1 97 97 GLU HB2 H 1 1.976 . . 2 . . . . . . . . 6338 1 936 . 1 1 97 97 GLU CG C 13 36.562 . . 1 . . . . . . . . 6338 1 937 . 1 1 97 97 GLU HG2 H 1 2.151 . . 2 . . . . . . . . 6338 1 938 . 1 1 97 97 GLU C C 13 176.075 . . 1 . . . . . . . . 6338 1 939 . 1 1 98 98 VAL N N 15 120.267 . . 1 . . . . . . . . 6338 1 940 . 1 1 98 98 VAL H H 1 7.980 . . 1 . . . . . . . . 6338 1 941 . 1 1 98 98 VAL CA C 13 62.835 . . 1 . . . . . . . . 6338 1 942 . 1 1 98 98 VAL HA H 1 3.985 . . 1 . . . . . . . . 6338 1 943 . 1 1 98 98 VAL CB C 13 33.097 . . 1 . . . . . . . . 6338 1 944 . 1 1 98 98 VAL HB H 1 1.936 . . 1 . . . . . . . . 6338 1 945 . 1 1 98 98 VAL CG1 C 13 21.199 . . 1 . . . . . . . . 6338 1 946 . 1 1 98 98 VAL HG11 H 1 0.818 . . 2 . . . . . . . . 6338 1 947 . 1 1 98 98 VAL HG12 H 1 0.818 . . 2 . . . . . . . . 6338 1 948 . 1 1 98 98 VAL HG13 H 1 0.818 . . 2 . . . . . . . . 6338 1 949 . 1 1 98 98 VAL C C 13 175.872 . . 1 . . . . . . . . 6338 1 950 . 1 1 99 99 PHE N N 15 123.827 . . 1 . . . . . . . . 6338 1 951 . 1 1 99 99 PHE H H 1 8.227 . . 1 . . . . . . . . 6338 1 952 . 1 1 99 99 PHE CA C 13 57.990 . . 1 . . . . . . . . 6338 1 953 . 1 1 99 99 PHE CB C 13 39.938 . . 1 . . . . . . . . 6338 1 954 . 1 1 99 99 PHE HB2 H 1 3.037 . . 2 . . . . . . . . 6338 1 955 . 1 1 99 99 PHE C C 13 175.342 . . 1 . . . . . . . . 6338 1 956 . 1 1 100 100 LYS N N 15 124.073 . . 1 . . . . . . . . 6338 1 957 . 1 1 100 100 LYS H H 1 8.120 . . 1 . . . . . . . . 6338 1 958 . 1 1 100 100 LYS CA C 13 56.328 . . 1 . . . . . . . . 6338 1 959 . 1 1 100 100 LYS HA H 1 4.300 . . 1 . . . . . . . . 6338 1 960 . 1 1 100 100 LYS CB C 13 33.804 . . 1 . . . . . . . . 6338 1 961 . 1 1 100 100 LYS HB3 H 1 1.778 . . 2 . . . . . . . . 6338 1 962 . 1 1 100 100 LYS HB2 H 1 1.710 . . 2 . . . . . . . . 6338 1 963 . 1 1 100 100 LYS CG C 13 24.966 . . 1 . . . . . . . . 6338 1 964 . 1 1 100 100 LYS HG2 H 1 1.365 . . 2 . . . . . . . . 6338 1 965 . 1 1 100 100 LYS CD C 13 29.448 . . 1 . . . . . . . . 6338 1 966 . 1 1 100 100 LYS HD2 H 1 1.654 . . 2 . . . . . . . . 6338 1 967 . 1 1 100 100 LYS CE C 13 42.528 . . 1 . . . . . . . . 6338 1 968 . 1 1 100 100 LYS HE2 H 1 2.968 . . 2 . . . . . . . . 6338 1 969 . 1 1 100 100 LYS C C 13 175.921 . . 1 . . . . . . . . 6338 1 970 . 1 1 101 101 SER N N 15 117.605 . . 1 . . . . . . . . 6338 1 971 . 1 1 101 101 SER H H 1 8.312 . . 1 . . . . . . . . 6338 1 972 . 1 1 101 101 SER CA C 13 58.581 . . 1 . . . . . . . . 6338 1 973 . 1 1 101 101 SER HA H 1 4.420 . . 1 . . . . . . . . 6338 1 974 . 1 1 101 101 SER CB C 13 64.172 . . 1 . . . . . . . . 6338 1 975 . 1 1 101 101 SER HB2 H 1 3.875 . . 2 . . . . . . . . 6338 1 976 . 1 1 101 101 SER C C 13 174.471 . . 1 . . . . . . . . 6338 1 977 . 1 1 102 102 SER N N 15 118.600 . . 1 . . . . . . . . 6338 1 978 . 1 1 102 102 SER H H 1 8.374 . . 1 . . . . . . . . 6338 1 979 . 1 1 102 102 SER CA C 13 58.642 . . 1 . . . . . . . . 6338 1 980 . 1 1 102 102 SER HA H 1 4.502 . . 1 . . . . . . . . 6338 1 981 . 1 1 102 102 SER CB C 13 64.274 . . 1 . . . . . . . . 6338 1 982 . 1 1 102 102 SER HB2 H 1 3.877 . . 2 . . . . . . . . 6338 1 983 . 1 1 102 102 SER C C 13 173.460 . . 1 . . . . . . . . 6338 1 984 . 1 1 103 103 ILE N N 15 126.011 . . 1 . . . . . . . . 6338 1 985 . 1 1 103 103 ILE H H 1 7.724 . . 1 . . . . . . . . 6338 1 986 . 1 1 103 103 ILE CA C 13 63.291 . . 1 . . . . . . . . 6338 1 987 . 1 1 103 103 ILE CB C 13 40.011 . . 1 . . . . . . . . 6338 1 stop_ save_