data_16913 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16913 _Entry.Title ; The solution structure of the squash aspartic acid proteinase inhibitor (SQAPI) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-05 _Entry.Accession_date 2010-05-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Stephen Headey . J. . 16913 2 Ursula MacAskill . K. . 16913 3 Michelle Wright . . . 16913 4 Jolyon Claridge . K. . 16913 5 Patrick Edwards . J.B. . 16913 6 Peter Farley . C. . 16913 7 John Christeller . T. . 16913 8 William Laing . A. . 16913 9 Steven Pascal . M. . 16913 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16913 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'aspartic protease inhibitor' . 16913 protein . 16913 SQAPI . 16913 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16913 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 16913 '1H chemical shifts' 674 16913 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-09-15 2010-05-05 update BMRB 'Complete entry citation' 16913 1 . . 2010-07-26 2010-05-05 original author 'original release' 16913 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KXG 'BMRB Entry Tracking System' 16913 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16913 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20538608 _Citation.Full_citation . _Citation.Title 'Solution structure of the squash aspartic acid proteinase inhibitor (SQAPI) and mutational analysis of pepsin inhibition.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 35 _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 27019 _Citation.Page_last 27025 _Citation.Year 2010 _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 Stephen Headey . J. . 16913 1 2 Ursula Macaskill . K. . 16913 1 3 Michele Wright . A. . 16913 1 4 Jolyon Claridge . K. . 16913 1 5 Patrick Edwards . J.B. . 16913 1 6 Peter Farley . C. . 16913 1 7 John Christeller . T. . 16913 1 8 William Laing . A. . 16913 1 9 Steven Pascal . M. . 16913 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16913 _Assembly.ID 1 _Assembly.Name 'squash aspartic acid proteinase inhibitor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SQAPI 1 $SQAPI A . yes native no no . . . 16913 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SQAPI _Entity.Sf_category entity _Entity.Sf_framecode SQAPI _Entity.Entry_ID 16913 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SQAPI _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGPAIGEVIGISVNDPRVK EIAEFALKQHAEQNLILAGV DAGQIIKGIPHWDNYYNLIL SAKHSPHEFSKFYNVVVLEK ASDNSLKLVAFVPLF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10421.041 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15483 . SQAPI . . . . . 100.00 95 100.00 100.00 2.13e-60 . . . . 16913 1 2 no PDB 2KXG . "The Solution Structure Of The Squash Aspartic Acid Proteinase Inhibitor (sqapi)" . . . . . 100.00 95 100.00 100.00 2.13e-60 . . . . 16913 1 3 no GB AAC39473 . "aspartic proteinase inhibitor [Cucurbita maxima]" . . . . . 98.95 94 100.00 100.00 1.39e-59 . . . . 16913 1 4 no GB AAT67162 . "aspartic protease inhibitor [Cucurbita maxima]" . . . . . 100.00 102 100.00 100.00 3.16e-60 . . . . 16913 1 5 no GB ABB96300 . "aspartic acid proteinase inhibitor, partial [Bryonia dioica]" . . . . . 89.47 85 97.65 98.82 1.07e-50 . . . . 16913 1 6 no GB ABB96305 . "aspartic acid proteinase inhibitor, partial [Corynocarpus laevigata]" . . . . . 74.74 71 100.00 100.00 1.39e-42 . . . . 16913 1 7 no GB ABB96307 . "aspartic acid proteinase inhibitor, partial [Cucurbita maxima]" . . . . . 100.00 102 97.89 100.00 1.35e-59 . . . . 16913 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 . GLY . 16913 1 2 . PRO . 16913 1 3 . GLY . 16913 1 4 . PRO . 16913 1 5 . ALA . 16913 1 6 . ILE . 16913 1 7 . GLY . 16913 1 8 . GLU . 16913 1 9 . VAL . 16913 1 10 . ILE . 16913 1 11 . GLY . 16913 1 12 . ILE . 16913 1 13 . SER . 16913 1 14 . VAL . 16913 1 15 . ASN . 16913 1 16 . ASP . 16913 1 17 . PRO . 16913 1 18 . ARG . 16913 1 19 . VAL . 16913 1 20 . LYS . 16913 1 21 . GLU . 16913 1 22 . ILE . 16913 1 23 . ALA . 16913 1 24 . GLU . 16913 1 25 . PHE . 16913 1 26 . ALA . 16913 1 27 . LEU . 16913 1 28 . LYS . 16913 1 29 . GLN . 16913 1 30 . HIS . 16913 1 31 . ALA . 16913 1 32 . GLU . 16913 1 33 . GLN . 16913 1 34 . ASN . 16913 1 35 . LEU . 16913 1 36 . ILE . 16913 1 37 . LEU . 16913 1 38 . ALA . 16913 1 39 . GLY . 16913 1 40 . VAL . 16913 1 41 . ASP . 16913 1 42 . ALA . 16913 1 43 . GLY . 16913 1 44 . GLN . 16913 1 45 . ILE . 16913 1 46 . ILE . 16913 1 47 . LYS . 16913 1 48 . GLY . 16913 1 49 . ILE . 16913 1 50 . PRO . 16913 1 51 . HIS . 16913 1 52 . TRP . 16913 1 53 . ASP . 16913 1 54 . ASN . 16913 1 55 . TYR . 16913 1 56 . TYR . 16913 1 57 . ASN . 16913 1 58 . LEU . 16913 1 59 . ILE . 16913 1 60 . LEU . 16913 1 61 . SER . 16913 1 62 . ALA . 16913 1 63 . LYS . 16913 1 64 . HIS . 16913 1 65 . SER . 16913 1 66 . PRO . 16913 1 67 . HIS . 16913 1 68 . GLU . 16913 1 69 . PHE . 16913 1 70 . SER . 16913 1 71 . LYS . 16913 1 72 . PHE . 16913 1 73 . TYR . 16913 1 74 . ASN . 16913 1 75 . VAL . 16913 1 76 . VAL . 16913 1 77 . VAL . 16913 1 78 . LEU . 16913 1 79 . GLU . 16913 1 80 . LYS . 16913 1 81 . ALA . 16913 1 82 . SER . 16913 1 83 . ASP . 16913 1 84 . ASN . 16913 1 85 . SER . 16913 1 86 . LEU . 16913 1 87 . LYS . 16913 1 88 . LEU . 16913 1 89 . VAL . 16913 1 90 . ALA . 16913 1 91 . PHE . 16913 1 92 . VAL . 16913 1 93 . PRO . 16913 1 94 . LEU . 16913 1 95 . PHE . 16913 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 . GLY 1 1 16913 1 . PRO 2 2 16913 1 . GLY 3 3 16913 1 . PRO 4 4 16913 1 . ALA 5 5 16913 1 . ILE 6 6 16913 1 . GLY 7 7 16913 1 . GLU 8 8 16913 1 . VAL 9 9 16913 1 . ILE 10 10 16913 1 . GLY 11 11 16913 1 . ILE 12 12 16913 1 . SER 13 13 16913 1 . VAL 14 14 16913 1 . ASN 15 15 16913 1 . ASP 16 16 16913 1 . PRO 17 17 16913 1 . ARG 18 18 16913 1 . VAL 19 19 16913 1 . LYS 20 20 16913 1 . GLU 21 21 16913 1 . ILE 22 22 16913 1 . ALA 23 23 16913 1 . GLU 24 24 16913 1 . PHE 25 25 16913 1 . ALA 26 26 16913 1 . LEU 27 27 16913 1 . LYS 28 28 16913 1 . GLN 29 29 16913 1 . HIS 30 30 16913 1 . ALA 31 31 16913 1 . GLU 32 32 16913 1 . GLN 33 33 16913 1 . ASN 34 34 16913 1 . LEU 35 35 16913 1 . ILE 36 36 16913 1 . LEU 37 37 16913 1 . ALA 38 38 16913 1 . GLY 39 39 16913 1 . VAL 40 40 16913 1 . ASP 41 41 16913 1 . ALA 42 42 16913 1 . GLY 43 43 16913 1 . GLN 44 44 16913 1 . ILE 45 45 16913 1 . ILE 46 46 16913 1 . LYS 47 47 16913 1 . GLY 48 48 16913 1 . ILE 49 49 16913 1 . PRO 50 50 16913 1 . HIS 51 51 16913 1 . TRP 52 52 16913 1 . ASP 53 53 16913 1 . ASN 54 54 16913 1 . TYR 55 55 16913 1 . TYR 56 56 16913 1 . ASN 57 57 16913 1 . LEU 58 58 16913 1 . ILE 59 59 16913 1 . LEU 60 60 16913 1 . SER 61 61 16913 1 . ALA 62 62 16913 1 . LYS 63 63 16913 1 . HIS 64 64 16913 1 . SER 65 65 16913 1 . PRO 66 66 16913 1 . HIS 67 67 16913 1 . GLU 68 68 16913 1 . PHE 69 69 16913 1 . SER 70 70 16913 1 . LYS 71 71 16913 1 . PHE 72 72 16913 1 . TYR 73 73 16913 1 . ASN 74 74 16913 1 . VAL 75 75 16913 1 . VAL 76 76 16913 1 . VAL 77 77 16913 1 . LEU 78 78 16913 1 . GLU 79 79 16913 1 . LYS 80 80 16913 1 . ALA 81 81 16913 1 . SER 82 82 16913 1 . ASP 83 83 16913 1 . ASN 84 84 16913 1 . SER 85 85 16913 1 . LEU 86 86 16913 1 . LYS 87 87 16913 1 . LEU 88 88 16913 1 . VAL 89 89 16913 1 . ALA 90 90 16913 1 . PHE 91 91 16913 1 . VAL 92 92 16913 1 . PRO 93 93 16913 1 . LEU 94 94 16913 1 . PHE 95 95 16913 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 16913 _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 $SQAPI . 3661 organism . 'Cucurbita maxima' 'winter squash' . . Eukaryota Viridiplantae Cucurbita maxima Duchesne . . . . . . . . . . . . . . . . . . . . 16913 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 16913 _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 $SQAPI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' pLysS . . . . . . . . . . . . . . pRSETA . . . . . . 16913 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16913 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SQAPI '[U-98% 13C; U-98% 15N]' . . 1 $SQAPI . . 0.6 . . mM . . . . 16913 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16913 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16913 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16913 _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 3 . pH 16913 1 pressure 1 . atm 16913 1 temperature 323 . K 16913 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16913 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16913 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16913 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16913 _Software.ID 2 _Software.Name XEASY _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16913 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16913 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16913 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16913 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 cryoprobe . . 16913 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 16913 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 8 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 9 '3D HCCCONH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 12 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 13 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 14 '3D 1H-13C NOESYHSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 15 '3D 1H-15N NOESYHSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16913 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16913 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.571 internal indirect 0.25145002 . . . . . . . . . 16913 1 H 1 water protons . . . . ppm 4.571 internal direct 1 . . . . . . . . . 16913 1 N 15 water protons . . . . ppm 4.571 internal indirect 0.10132914 . . . . . . . . . 16913 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16913 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16913 1 2 '2D 1H-13C HSQC' . . . 16913 1 4 '3D HNCACB' . . . 16913 1 6 '3D HNCO' . . . 16913 1 8 '3D HN(CO)CACB' . . . 16913 1 9 '3D HCCCONH TOCSY' . . . 16913 1 10 '3D HBHA(CO)NH' . . . 16913 1 11 '3D HCCH-TOCSY' . . . 16913 1 12 '2D (HB)CB(CGCD)HD' . . . 16913 1 13 '2D (HB)CB(CGCDCE)HE' . . . 16913 1 14 '3D 1H-13C NOESYHSQC' . . . 16913 1 15 '3D 1H-15N NOESYHSQC' . . . 16913 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.29 0.02 . 1 . . . . 1 G HN . 16913 1 2 . 1 1 1 1 GLY HA2 H 1 4.16 0.02 . 2 . . . . 1 G QA . 16913 1 3 . 1 1 1 1 GLY HA3 H 1 4.16 0.02 . 2 . . . . 1 G QA . 16913 1 4 . 1 1 1 1 GLY CA C 13 45.07 0.2 . 1 . . . . 1 G CA . 16913 1 5 . 1 1 2 2 PRO HA H 1 4.59 0.02 . 1 . . . . 2 P HA . 16913 1 6 . 1 1 2 2 PRO HB2 H 1 2.01 0.02 . 2 . . . . 2 P HB2 . 16913 1 7 . 1 1 2 2 PRO HB3 H 1 2.25 0.02 . 2 . . . . 2 P HB3 . 16913 1 8 . 1 1 2 2 PRO HD2 H 1 3.62 0.02 . 2 . . . . 2 P QD . 16913 1 9 . 1 1 2 2 PRO HD3 H 1 3.62 0.02 . 2 . . . . 2 P QD . 16913 1 10 . 1 1 2 2 PRO HG2 H 1 1.98 0.02 . 2 . . . . 2 P QG . 16913 1 11 . 1 1 2 2 PRO HG3 H 1 1.98 0.02 . 2 . . . . 2 P QG . 16913 1 12 . 1 1 2 2 PRO C C 13 177.15 0.2 . 1 . . . . 2 P C . 16913 1 13 . 1 1 2 2 PRO CA C 13 63.21 0.2 . 1 . . . . 2 P CA . 16913 1 14 . 1 1 2 2 PRO CB C 13 34.78 0.2 . 1 . . . . 2 P CB . 16913 1 15 . 1 1 2 2 PRO CD C 13 49.96 0.2 . 1 . . . . 2 P CD . 16913 1 16 . 1 1 2 2 PRO CG C 13 27.13 0.2 . 1 . . . . 2 P CG . 16913 1 17 . 1 1 3 3 GLY H H 1 8.35 0.02 . 1 . . . . 3 G HN . 16913 1 18 . 1 1 3 3 GLY HA2 H 1 4.12 0.02 . 2 . . . . 3 G QA . 16913 1 19 . 1 1 3 3 GLY HA3 H 1 4.12 0.02 . 2 . . . . 3 G QA . 16913 1 20 . 1 1 3 3 GLY CA C 13 44.8 0.2 . 1 . . . . 3 G CA . 16913 1 21 . 1 1 4 4 PRO HA H 1 4.42 0.02 . 1 . . . . 4 P HA . 16913 1 22 . 1 1 4 4 PRO HB2 H 1 1.89 0.02 . 2 . . . . 4 P HB2 . 16913 1 23 . 1 1 4 4 PRO HB3 H 1 2.22 0.02 . 2 . . . . 4 P HB3 . 16913 1 24 . 1 1 4 4 PRO HD2 H 1 3.55 0.02 . 2 . . . . 4 P QD . 16913 1 25 . 1 1 4 4 PRO HD3 H 1 3.55 0.02 . 2 . . . . 4 P QD . 16913 1 26 . 1 1 4 4 PRO HG2 H 1 1.98 0.02 . 2 . . . . 4 P QG . 16913 1 27 . 1 1 4 4 PRO HG3 H 1 1.98 0.02 . 2 . . . . 4 P QG . 16913 1 28 . 1 1 4 4 PRO C C 13 176.84 0.2 . 1 . . . . 4 P C . 16913 1 29 . 1 1 4 4 PRO CA C 13 63.51 0.2 . 1 . . . . 4 P CA . 16913 1 30 . 1 1 4 4 PRO CB C 13 32.37 0.2 . 1 . . . . 4 P CB . 16913 1 31 . 1 1 4 4 PRO CD C 13 50.03 0.2 . 1 . . . . 4 P CD . 16913 1 32 . 1 1 4 4 PRO CG C 13 27.2 0.2 . 1 . . . . 4 P CG . 16913 1 33 . 1 1 5 5 ALA H H 1 8.19 0.02 . 1 . . . . 5 A HN . 16913 1 34 . 1 1 5 5 ALA HA H 1 4.4 0.02 . 1 . . . . 5 A HA . 16913 1 35 . 1 1 5 5 ALA HB1 H 1 1.39 0.02 . 1 . . . . 5 A QB . 16913 1 36 . 1 1 5 5 ALA HB2 H 1 1.39 0.02 . 1 . . . . 5 A QB . 16913 1 37 . 1 1 5 5 ALA HB3 H 1 1.39 0.02 . 1 . . . . 5 A QB . 16913 1 38 . 1 1 5 5 ALA C C 13 177.77 0.2 . 1 . . . . 5 A C . 16913 1 39 . 1 1 5 5 ALA CA C 13 52.76 0.2 . 1 . . . . 5 A CA . 16913 1 40 . 1 1 5 5 ALA CB C 13 19.45 0.2 . 1 . . . . 5 A CB . 16913 1 41 . 1 1 6 6 ILE H H 1 7.99 0.02 . 1 . . . . 6 I HN . 16913 1 42 . 1 1 6 6 ILE HA H 1 4.31 0.02 . 1 . . . . 6 I HA . 16913 1 43 . 1 1 6 6 ILE HB H 1 1.88 0.02 . 1 . . . . 6 I HB . 16913 1 44 . 1 1 6 6 ILE HD11 H 1 0.71 0.02 . 1 . . . . 6 I QD1 . 16913 1 45 . 1 1 6 6 ILE HD12 H 1 0.71 0.02 . 1 . . . . 6 I QD1 . 16913 1 46 . 1 1 6 6 ILE HD13 H 1 0.71 0.02 . 1 . . . . 6 I QD1 . 16913 1 47 . 1 1 6 6 ILE HG12 H 1 1.12 0.02 . 2 . . . . 6 I HG12 . 16913 1 48 . 1 1 6 6 ILE HG13 H 1 1.35 0.02 . 2 . . . . 6 I HG13 . 16913 1 49 . 1 1 6 6 ILE HG21 H 1 0.77 0.02 . 1 . . . . 6 I QG2 . 16913 1 50 . 1 1 6 6 ILE HG22 H 1 0.77 0.02 . 1 . . . . 6 I QG2 . 16913 1 51 . 1 1 6 6 ILE HG23 H 1 0.77 0.02 . 1 . . . . 6 I QG2 . 16913 1 52 . 1 1 6 6 ILE C C 13 176.33 0.2 . 1 . . . . 6 I C . 16913 1 53 . 1 1 6 6 ILE CA C 13 61.57 0.2 . 1 . . . . 6 I CA . 16913 1 54 . 1 1 6 6 ILE CB C 13 39.27 0.2 . 1 . . . . 6 I CB . 16913 1 55 . 1 1 6 6 ILE CD1 C 13 13.79 0.2 . 1 . . . . 6 I CD1 . 16913 1 56 . 1 1 6 6 ILE CG1 C 13 27.02 0.2 . 1 . . . . 6 I CG1 . 16913 1 57 . 1 1 6 6 ILE CG2 C 13 17.82 0.2 . 1 . . . . 6 I CG2 . 16913 1 58 . 1 1 7 7 GLY H H 1 8.02 0.02 . 1 . . . . 7 G HN . 16913 1 59 . 1 1 7 7 GLY HA2 H 1 4.31 0.02 . 2 . . . . 7 G QA . 16913 1 60 . 1 1 7 7 GLY HA3 H 1 4.31 0.02 . 2 . . . . 7 G QA . 16913 1 61 . 1 1 7 7 GLY C C 13 172.83 0.2 . 1 . . . . 7 G C . 16913 1 62 . 1 1 7 7 GLY CA C 13 46.01 0.2 . 1 . . . . 7 G CA . 16913 1 63 . 1 1 8 8 GLU H H 1 8.86 0.02 . 1 . . . . 8 E HN . 16913 1 64 . 1 1 8 8 GLU HA H 1 4.7 0.02 . 1 . . . . 8 E HA . 16913 1 65 . 1 1 8 8 GLU HB2 H 1 1.9 0.02 . 2 . . . . 8 E HB2 . 16913 1 66 . 1 1 8 8 GLU HB3 H 1 2.1 0.02 . 2 . . . . 8 E HB3 . 16913 1 67 . 1 1 8 8 GLU HG2 H 1 2.33 0.02 . 2 . . . . 8 E HG2 . 16913 1 68 . 1 1 8 8 GLU HG3 H 1 2.44 0.02 . 2 . . . . 8 E HG3 . 16913 1 69 . 1 1 8 8 GLU C C 13 173.33 0.2 . 1 . . . . 8 E C . 16913 1 70 . 1 1 8 8 GLU CA C 13 54.87 0.2 . 1 . . . . 8 E CA . 16913 1 71 . 1 1 8 8 GLU CB C 13 31.84 0.2 . 1 . . . . 8 E CB . 16913 1 72 . 1 1 8 8 GLU CG C 13 35.06 0.2 . 1 . . . . 8 E CG . 16913 1 73 . 1 1 9 9 VAL H H 1 8.03 0.02 . 1 . . . . 9 V HN . 16913 1 74 . 1 1 9 9 VAL HA H 1 4.76 0.02 . 1 . . . . 9 V HA . 16913 1 75 . 1 1 9 9 VAL HB H 1 1.87 0.02 . 1 . . . . 9 V HB . 16913 1 76 . 1 1 9 9 VAL HG11 H 1 0.46 0.02 . 1 . . . . 9 V QG1 . 16913 1 77 . 1 1 9 9 VAL HG12 H 1 0.46 0.02 . 1 . . . . 9 V QG1 . 16913 1 78 . 1 1 9 9 VAL HG13 H 1 0.46 0.02 . 1 . . . . 9 V QG1 . 16913 1 79 . 1 1 9 9 VAL HG21 H 1 0.58 0.02 . 1 . . . . 9 V QG2 . 16913 1 80 . 1 1 9 9 VAL HG22 H 1 0.58 0.02 . 1 . . . . 9 V QG2 . 16913 1 81 . 1 1 9 9 VAL HG23 H 1 0.58 0.02 . 1 . . . . 9 V QG2 . 16913 1 82 . 1 1 9 9 VAL C C 13 175.5 0.2 . 1 . . . . 9 V C . 16913 1 83 . 1 1 9 9 VAL CA C 13 61.5 0.2 . 1 . . . . 9 V CA . 16913 1 84 . 1 1 9 9 VAL CB C 13 33.5 0.2 . 1 . . . . 9 V CB . 16913 1 85 . 1 1 9 9 VAL CG1 C 13 22.36 0.2 . 2 . . . . 9 V CG1 . 16913 1 86 . 1 1 9 9 VAL CG2 C 13 21.71 0.2 . 2 . . . . 9 V CG2 . 16913 1 87 . 1 1 10 10 ILE H H 1 9.1 0.02 . 1 . . . . 10 I HN . 16913 1 88 . 1 1 10 10 ILE HA H 1 4.56 0.02 . 1 . . . . 10 I HA . 16913 1 89 . 1 1 10 10 ILE HB H 1 1.74 0.02 . 1 . . . . 10 I HB . 16913 1 90 . 1 1 10 10 ILE HD11 H 1 0.77 0.02 . 1 . . . . 10 I QD1 . 16913 1 91 . 1 1 10 10 ILE HD12 H 1 0.77 0.02 . 1 . . . . 10 I QD1 . 16913 1 92 . 1 1 10 10 ILE HD13 H 1 0.77 0.02 . 1 . . . . 10 I QD1 . 16913 1 93 . 1 1 10 10 ILE HG12 H 1 1.36 0.02 . 1 . . . . 10 I QG1 . 16913 1 94 . 1 1 10 10 ILE HG13 H 1 1.36 0.02 . 1 . . . . 10 I QG1 . 16913 1 95 . 1 1 10 10 ILE HG21 H 1 0.92 0.02 . 1 . . . . 10 I QG2 . 16913 1 96 . 1 1 10 10 ILE HG22 H 1 0.92 0.02 . 1 . . . . 10 I QG2 . 16913 1 97 . 1 1 10 10 ILE HG23 H 1 0.92 0.02 . 1 . . . . 10 I QG2 . 16913 1 98 . 1 1 10 10 ILE C C 13 175.73 0.2 . 1 . . . . 10 I C . 16913 1 99 . 1 1 10 10 ILE CA C 13 59.54 0.2 . 1 . . . . 10 I CA . 16913 1 100 . 1 1 10 10 ILE CB C 13 42.1 0.2 . 1 . . . . 10 I CB . 16913 1 101 . 1 1 10 10 ILE CD1 C 13 13.66 0.2 . 1 . . . . 10 I CD1 . 16913 1 102 . 1 1 10 10 ILE CG1 C 13 26.84 0.2 . 1 . . . . 10 I CG1 . 16913 1 103 . 1 1 10 10 ILE CG2 C 13 17.59 0.2 . 1 . . . . 10 I CG2 . 16913 1 104 . 1 1 11 11 GLY H H 1 8.64 0.02 . 1 . . . . 11 G HN . 16913 1 105 . 1 1 11 11 GLY HA2 H 1 3.89 0.02 . 1 . . . . 11 G HA1 . 16913 1 106 . 1 1 11 11 GLY HA3 H 1 4.45 0.02 . 2 . . . . 11 G HA2 . 16913 1 107 . 1 1 11 11 GLY C C 13 174.45 0.2 . 1 . . . . 11 G C . 16913 1 108 . 1 1 11 11 GLY CA C 13 45.91 0.2 . 1 . . . . 11 G CA . 16913 1 109 . 1 1 12 12 ILE H H 1 7.44 0.02 . 1 . . . . 12 I HN . 16913 1 110 . 1 1 12 12 ILE HA H 1 4.5 0.02 . 1 . . . . 12 I HA . 16913 1 111 . 1 1 12 12 ILE HB H 1 1.87 0.02 . 1 . . . . 12 I HB . 16913 1 112 . 1 1 12 12 ILE HD11 H 1 0.59 0.02 . 1 . . . . 12 I QD1 . 16913 1 113 . 1 1 12 12 ILE HD12 H 1 0.59 0.02 . 1 . . . . 12 I QD1 . 16913 1 114 . 1 1 12 12 ILE HD13 H 1 0.59 0.02 . 1 . . . . 12 I QD1 . 16913 1 115 . 1 1 12 12 ILE HG12 H 1 1.12 0.02 . 1 . . . . 12 I QG1 . 16913 1 116 . 1 1 12 12 ILE HG13 H 1 1.12 0.02 . 1 . . . . 12 I QG1 . 16913 1 117 . 1 1 12 12 ILE HG21 H 1 0.76 0.02 . 1 . . . . 12 I QG2 . 16913 1 118 . 1 1 12 12 ILE HG22 H 1 0.76 0.02 . 1 . . . . 12 I QG2 . 16913 1 119 . 1 1 12 12 ILE HG23 H 1 0.76 0.02 . 1 . . . . 12 I QG2 . 16913 1 120 . 1 1 12 12 ILE C C 13 176.36 0.2 . 1 . . . . 12 I C . 16913 1 121 . 1 1 12 12 ILE CA C 13 60.01 0.2 . 1 . . . . 12 I CA . 16913 1 122 . 1 1 12 12 ILE CB C 13 40.72 0.2 . 1 . . . . 12 I CB . 16913 1 123 . 1 1 12 12 ILE CD1 C 13 15.25 0.2 . 1 . . . . 12 I CD1 . 16913 1 124 . 1 1 12 12 ILE CG1 C 13 26.33 0.2 . 1 . . . . 12 I CG1 . 16913 1 125 . 1 1 12 12 ILE CG2 C 13 19.47 0.2 . 1 . . . . 12 I CG2 . 16913 1 126 . 1 1 13 13 SER H H 1 8.48 0.02 . 1 . . . . 13 S HN . 16913 1 127 . 1 1 13 13 SER HA H 1 4.88 0.02 . 1 . . . . 13 S HA . 16913 1 128 . 1 1 13 13 SER HB2 H 1 3.94 0.02 . 2 . . . . 13 S QB . 16913 1 129 . 1 1 13 13 SER HB3 H 1 3.94 0.02 . 2 . . . . 13 S QB . 16913 1 130 . 1 1 13 13 SER C C 13 176.73 0.2 . 1 . . . . 13 S C . 16913 1 131 . 1 1 13 13 SER CA C 13 56.79 0.2 . 1 . . . . 13 S CA . 16913 1 132 . 1 1 13 13 SER CB C 13 63.94 0.2 . 1 . . . . 13 S CB . 16913 1 133 . 1 1 14 14 VAL H H 1 8.35 0.02 . 1 . . . . 14 V HN . 16913 1 134 . 1 1 14 14 VAL HA H 1 3.74 0.02 . 1 . . . . 14 V HA . 16913 1 135 . 1 1 14 14 VAL HB H 1 2.35 0.02 . 1 . . . . 14 V HB . 16913 1 136 . 1 1 14 14 VAL HG11 H 1 0.83 0.02 . 1 . . . . 14 V QG1 . 16913 1 137 . 1 1 14 14 VAL HG12 H 1 0.83 0.02 . 1 . . . . 14 V QG1 . 16913 1 138 . 1 1 14 14 VAL HG13 H 1 0.83 0.02 . 1 . . . . 14 V QG1 . 16913 1 139 . 1 1 14 14 VAL HG21 H 1 0.91 0.02 . 1 . . . . 14 V QG2 . 16913 1 140 . 1 1 14 14 VAL HG22 H 1 0.91 0.02 . 1 . . . . 14 V QG2 . 16913 1 141 . 1 1 14 14 VAL HG23 H 1 0.91 0.02 . 1 . . . . 14 V QG2 . 16913 1 142 . 1 1 14 14 VAL C C 13 175.48 0.2 . 1 . . . . 14 V C . 16913 1 143 . 1 1 14 14 VAL CA C 13 64.76 0.2 . 1 . . . . 14 V CA . 16913 1 144 . 1 1 14 14 VAL CB C 13 30.95 0.2 . 1 . . . . 14 V CB . 16913 1 145 . 1 1 14 14 VAL CG1 C 13 21.69 0.2 . 2 . . . . 14 V CG1 . 16913 1 146 . 1 1 14 14 VAL CG2 C 13 18.25 0.2 . 2 . . . . 14 V CG2 . 16913 1 147 . 1 1 15 15 ASN H H 1 7.88 0.02 . 1 . . . . 15 N HN . 16913 1 148 . 1 1 15 15 ASN HA H 1 4.82 0.02 . 1 . . . . 15 N HA . 16913 1 149 . 1 1 15 15 ASN HB2 H 1 2.65 0.02 . 2 . . . . 15 N HB2 . 16913 1 150 . 1 1 15 15 ASN HB3 H 1 2.94 0.02 . 2 . . . . 15 N HB3 . 16913 1 151 . 1 1 15 15 ASN C C 13 175.19 0.2 . 1 . . . . 15 N C . 16913 1 152 . 1 1 15 15 ASN CA C 13 52.67 0.2 . 1 . . . . 15 N CA . 16913 1 153 . 1 1 15 15 ASN CB C 13 39.22 0.2 . 1 . . . . 15 N CB . 16913 1 154 . 1 1 16 16 ASP H H 1 7.39 0.02 . 1 . . . . 16 D HN . 16913 1 155 . 1 1 16 16 ASP HA H 1 4.8 0.02 . 1 . . . . 16 D HA . 16913 1 156 . 1 1 16 16 ASP HB2 H 1 2.89 0.02 . 2 . . . . 16 D HB2 . 16913 1 157 . 1 1 16 16 ASP HB3 H 1 2.98 0.02 . 2 . . . . 16 D HB3 . 16913 1 158 . 1 1 16 16 ASP CA C 13 52.35 0.2 . 1 . . . . 16 D CA . 16913 1 159 . 1 1 16 16 ASP CB C 13 42.49 0.2 . 1 . . . . 16 D CB . 16913 1 160 . 1 1 17 17 PRO HA H 1 4.25 0.02 . 1 . . . . 17 P HA . 16913 1 161 . 1 1 17 17 PRO HB2 H 1 2 0.02 . 2 . . . . 17 P HB2 . 16913 1 162 . 1 1 17 17 PRO HB3 H 1 2.42 0.02 . 2 . . . . 17 P HB3 . 16913 1 163 . 1 1 17 17 PRO HD2 H 1 4.05 0.02 . 2 . . . . 17 P HD2 . 16913 1 164 . 1 1 17 17 PRO HD3 H 1 4.08 0.02 . 2 . . . . 17 P HD3 . 16913 1 165 . 1 1 17 17 PRO HG2 H 1 2.12 0.02 . 2 . . . . 17 P QG . 16913 1 166 . 1 1 17 17 PRO HG3 H 1 2.12 0.02 . 2 . . . . 17 P QG . 16913 1 167 . 1 1 17 17 PRO C C 13 175.48 0.2 . 1 . . . . 17 P C . 16913 1 168 . 1 1 17 17 PRO CA C 13 65.61 0.2 . 1 . . . . 17 P CA . 16913 1 169 . 1 1 17 17 PRO CB C 13 32.5 0.2 . 1 . . . . 17 P CB . 16913 1 170 . 1 1 17 17 PRO CD C 13 51.59 0.2 . 1 . . . . 17 P CD . 16913 1 171 . 1 1 17 17 PRO CG C 13 27.62 0.2 . 1 . . . . 17 P CG . 16913 1 172 . 1 1 18 18 ARG H H 1 8.44 0.02 . 1 . . . . 18 R HN . 16913 1 173 . 1 1 18 18 ARG HA H 1 4.06 0.02 . 1 . . . . 18 R HA . 16913 1 174 . 1 1 18 18 ARG HB2 H 1 1.93 0.02 . 2 . . . . 18 R QB . 16913 1 175 . 1 1 18 18 ARG HB3 H 1 1.93 0.02 . 2 . . . . 18 R QB . 16913 1 176 . 1 1 18 18 ARG HD2 H 1 3.15 0.02 . 2 . . . . 18 R HD2 . 16913 1 177 . 1 1 18 18 ARG HD3 H 1 3.27 0.02 . 2 . . . . 18 R HD3 . 16913 1 178 . 1 1 18 18 ARG HG2 H 1 1.55 0.02 . 2 . . . . 18 R HG2 . 16913 1 179 . 1 1 18 18 ARG HG3 H 1 1.73 0.02 . 2 . . . . 18 R HG3 . 16913 1 180 . 1 1 18 18 ARG C C 13 178.99 0.2 . 1 . . . . 18 R C . 16913 1 181 . 1 1 18 18 ARG CA C 13 58.34 0.2 . 1 . . . . 18 R CA . 16913 1 182 . 1 1 18 18 ARG CB C 13 29.84 0.2 . 1 . . . . 18 R CB . 16913 1 183 . 1 1 18 18 ARG CD C 13 43.25 0.2 . 1 . . . . 18 R CD . 16913 1 184 . 1 1 18 18 ARG CG C 13 26.77 0.2 . 1 . . . . 18 R CG . 16913 1 185 . 1 1 19 19 VAL H H 1 7.39 0.02 . 1 . . . . 19 V HN . 16913 1 186 . 1 1 19 19 VAL HA H 1 3.34 0.02 . 1 . . . . 19 V HA . 16913 1 187 . 1 1 19 19 VAL HB H 1 2.39 0.02 . 1 . . . . 19 V HB . 16913 1 188 . 1 1 19 19 VAL HG11 H 1 0.97 0.02 . 1 . . . . 19 V QG1 . 16913 1 189 . 1 1 19 19 VAL HG12 H 1 0.97 0.02 . 1 . . . . 19 V QG1 . 16913 1 190 . 1 1 19 19 VAL HG13 H 1 0.97 0.02 . 1 . . . . 19 V QG1 . 16913 1 191 . 1 1 19 19 VAL HG21 H 1 1.19 0.02 . 1 . . . . 19 V QG2 . 16913 1 192 . 1 1 19 19 VAL HG22 H 1 1.19 0.02 . 1 . . . . 19 V QG2 . 16913 1 193 . 1 1 19 19 VAL HG23 H 1 1.19 0.02 . 1 . . . . 19 V QG2 . 16913 1 194 . 1 1 19 19 VAL C C 13 177.63 0.2 . 1 . . . . 19 V C . 16913 1 195 . 1 1 19 19 VAL CA C 13 66.81 0.2 . 1 . . . . 19 V CA . 16913 1 196 . 1 1 19 19 VAL CB C 13 31.67 0.2 . 1 . . . . 19 V CB . 16913 1 197 . 1 1 19 19 VAL CG1 C 13 22.87 0.2 . 2 . . . . 19 V CG1 . 16913 1 198 . 1 1 19 19 VAL CG2 C 13 23.74 0.2 . 2 . . . . 19 V CG2 . 16913 1 199 . 1 1 20 20 LYS H H 1 7.49 0.02 . 1 . . . . 20 K HN . 16913 1 200 . 1 1 20 20 LYS HA H 1 3.72 0.02 . 1 . . . . 20 K HA . 16913 1 201 . 1 1 20 20 LYS HB2 H 1 1.88 0.02 . 2 . . . . 20 K QB . 16913 1 202 . 1 1 20 20 LYS HB3 H 1 1.88 0.02 . 2 . . . . 20 K QB . 16913 1 203 . 1 1 20 20 LYS HD2 H 1 1.69 0.02 . 2 . . . . 20 K QD . 16913 1 204 . 1 1 20 20 LYS HD3 H 1 1.69 0.02 . 2 . . . . 20 K QD . 16913 1 205 . 1 1 20 20 LYS HE2 H 1 2.93 0.02 . 2 . . . . 20 K QE . 16913 1 206 . 1 1 20 20 LYS HE3 H 1 2.93 0.02 . 2 . . . . 20 K QE . 16913 1 207 . 1 1 20 20 LYS HG2 H 1 1.3 0.02 . 2 . . . . 20 K HG2 . 16913 1 208 . 1 1 20 20 LYS HG3 H 1 1.42 0.02 . 2 . . . . 20 K HG3 . 16913 1 209 . 1 1 20 20 LYS C C 13 178.36 0.2 . 1 . . . . 20 K C . 16913 1 210 . 1 1 20 20 LYS CA C 13 60.74 0.2 . 1 . . . . 20 K CA . 16913 1 211 . 1 1 20 20 LYS CB C 13 32.03 0.2 . 1 . . . . 20 K CB . 16913 1 212 . 1 1 20 20 LYS CD C 13 29.63 0.2 . 1 . . . . 20 K CD . 16913 1 213 . 1 1 20 20 LYS CE C 13 42.15 0.2 . 1 . . . . 20 K CE . 16913 1 214 . 1 1 20 20 LYS CG C 13 25.7 0.2 . 1 . . . . 20 K CG . 16913 1 215 . 1 1 21 21 GLU H H 1 7.61 0.02 . 1 . . . . 21 E HN . 16913 1 216 . 1 1 21 21 GLU HA H 1 4.04 0.02 . 1 . . . . 21 E HA . 16913 1 217 . 1 1 21 21 GLU HB2 H 1 2.09 0.02 . 2 . . . . 21 E HB2 . 16913 1 218 . 1 1 21 21 GLU HB3 H 1 2.23 0.02 . 2 . . . . 21 E HB3 . 16913 1 219 . 1 1 21 21 GLU HG2 H 1 2.42 0.02 . 2 . . . . 21 E HG2 . 16913 1 220 . 1 1 21 21 GLU HG3 H 1 2.6 0.02 . 2 . . . . 21 E HG3 . 16913 1 221 . 1 1 21 21 GLU CA C 13 58.82 0.2 . 1 . . . . 21 E CA . 16913 1 222 . 1 1 21 21 GLU CB C 13 28.14 0.2 . 1 . . . . 21 E CB . 16913 1 223 . 1 1 21 21 GLU CG C 13 33.53 0.2 . 1 . . . . 21 E CG . 16913 1 224 . 1 1 22 22 ILE H H 1 7.94 0.02 . 1 . . . . 22 I HN . 16913 1 225 . 1 1 22 22 ILE HA H 1 3.49 0.02 . 1 . . . . 22 I HA . 16913 1 226 . 1 1 22 22 ILE HB H 1 1.71 0.02 . 1 . . . . 22 I HB . 16913 1 227 . 1 1 22 22 ILE HD11 H 1 -0.15 0.02 . 1 . . . . 22 I QD1 . 16913 1 228 . 1 1 22 22 ILE HD12 H 1 -0.15 0.02 . 1 . . . . 22 I QD1 . 16913 1 229 . 1 1 22 22 ILE HD13 H 1 -0.15 0.02 . 1 . . . . 22 I QD1 . 16913 1 230 . 1 1 22 22 ILE HG12 H 1 0.81 0.02 . 2 . . . . 22 I HG12 . 16913 1 231 . 1 1 22 22 ILE HG13 H 1 0.91 0.02 . 2 . . . . 22 I HG13 . 16913 1 232 . 1 1 22 22 ILE HG21 H 1 0.55 0.02 . 1 . . . . 22 I QG2 . 16913 1 233 . 1 1 22 22 ILE HG22 H 1 0.55 0.02 . 1 . . . . 22 I QG2 . 16913 1 234 . 1 1 22 22 ILE HG23 H 1 0.55 0.02 . 1 . . . . 22 I QG2 . 16913 1 235 . 1 1 22 22 ILE CA C 13 64.95 0.2 . 1 . . . . 22 I CA . 16913 1 236 . 1 1 22 22 ILE CB C 13 36.83 0.2 . 1 . . . . 22 I CB . 16913 1 237 . 1 1 22 22 ILE CD1 C 13 11.27 0.2 . 1 . . . . 22 I CD1 . 16913 1 238 . 1 1 22 22 ILE CG1 C 13 28.91 0.2 . 1 . . . . 22 I CG1 . 16913 1 239 . 1 1 22 22 ILE CG2 C 13 17.45 0.2 . 1 . . . . 22 I CG2 . 16913 1 240 . 1 1 23 23 ALA H H 1 8.21 0.02 . 1 . . . . 23 A HN . 16913 1 241 . 1 1 23 23 ALA HA H 1 3.77 0.02 . 1 . . . . 23 A HA . 16913 1 242 . 1 1 23 23 ALA HB1 H 1 1.42 0.02 . 1 . . . . 23 A QB . 16913 1 243 . 1 1 23 23 ALA HB2 H 1 1.42 0.02 . 1 . . . . 23 A QB . 16913 1 244 . 1 1 23 23 ALA HB3 H 1 1.42 0.02 . 1 . . . . 23 A QB . 16913 1 245 . 1 1 23 23 ALA CA C 13 55.77 0.2 . 1 . . . . 23 A CA . 16913 1 246 . 1 1 23 23 ALA CB C 13 20.23 0.2 . 1 . . . . 23 A CB . 16913 1 247 . 1 1 24 24 GLU H H 1 8.31 0.02 . 1 . . . . 24 E HN . 16913 1 248 . 1 1 24 24 GLU HA H 1 4.01 0.02 . 1 . . . . 24 E HA . 16913 1 249 . 1 1 24 24 GLU HB2 H 1 2.08 0.02 . 2 . . . . 24 E HB2 . 16913 1 250 . 1 1 24 24 GLU HB3 H 1 2.19 0.02 . 2 . . . . 24 E HB3 . 16913 1 251 . 1 1 24 24 GLU HG2 H 1 2.49 0.02 . 2 . . . . 24 E HG2 . 16913 1 252 . 1 1 24 24 GLU HG3 H 1 2.63 0.02 . 2 . . . . 24 E HG3 . 16913 1 253 . 1 1 24 24 GLU CA C 13 59.25 0.2 . 1 . . . . 24 E CA . 16913 1 254 . 1 1 24 24 GLU CB C 13 28.18 0.2 . 1 . . . . 24 E CB . 16913 1 255 . 1 1 24 24 GLU CG C 13 34.25 0.2 . 1 . . . . 24 E CG . 16913 1 256 . 1 1 25 25 PHE H H 1 8.16 0.02 . 1 . . . . 25 F HN . 16913 1 257 . 1 1 25 25 PHE HA H 1 4.14 0.02 . 1 . . . . 25 F HA . 16913 1 258 . 1 1 25 25 PHE HB2 H 1 3.21 0.02 . 2 . . . . 25 F HB2 . 16913 1 259 . 1 1 25 25 PHE HB3 H 1 3.34 0.02 . 2 . . . . 25 F HB3 . 16913 1 260 . 1 1 25 25 PHE HD1 H 1 7.13 0.02 . 3 . . . . 25 F QD . 16913 1 261 . 1 1 25 25 PHE HD2 H 1 7.13 0.02 . 3 . . . . 25 F QD . 16913 1 262 . 1 1 25 25 PHE HE1 H 1 6.82 0.02 . 3 . . . . 25 F QE . 16913 1 263 . 1 1 25 25 PHE HE2 H 1 6.82 0.02 . 3 . . . . 25 F QE . 16913 1 264 . 1 1 25 25 PHE CA C 13 61.51 0.2 . 1 . . . . 25 F CA . 16913 1 265 . 1 1 25 25 PHE CB C 13 38.68 0.2 . 1 . . . . 25 F CB . 16913 1 266 . 1 1 25 25 PHE CD1 C 13 132.32 0.2 . 3 . . . . 25 F CD1 . 16913 1 267 . 1 1 25 25 PHE CD2 C 13 132.32 0.2 . 3 . . . . 25 F CD2 . 16913 1 268 . 1 1 25 25 PHE CE1 C 13 131.63 0.2 . 3 . . . . 25 F CE1 . 16913 1 269 . 1 1 25 25 PHE CE2 C 13 131.63 0.2 . 3 . . . . 25 F CE2 . 16913 1 270 . 1 1 26 26 ALA H H 1 8.11 0.02 . 1 . . . . 26 A HN . 16913 1 271 . 1 1 26 26 ALA HA H 1 3.63 0.02 . 1 . . . . 26 A HA . 16913 1 272 . 1 1 26 26 ALA HB1 H 1 1.5 0.02 . 1 . . . . 26 A QB . 16913 1 273 . 1 1 26 26 ALA HB2 H 1 1.5 0.02 . 1 . . . . 26 A QB . 16913 1 274 . 1 1 26 26 ALA HB3 H 1 1.5 0.02 . 1 . . . . 26 A QB . 16913 1 275 . 1 1 26 26 ALA CA C 13 55.51 0.2 . 1 . . . . 26 A CA . 16913 1 276 . 1 1 26 26 ALA CB C 13 19.04 0.2 . 1 . . . . 26 A CB . 16913 1 277 . 1 1 27 27 LEU H H 1 7.51 0.02 . 1 . . . . 27 L HN . 16913 1 278 . 1 1 27 27 LEU HA H 1 3.82 0.02 . 1 . . . . 27 L HA . 16913 1 279 . 1 1 27 27 LEU HB2 H 1 1.46 0.02 . 2 . . . . 27 L HB2 . 16913 1 280 . 1 1 27 27 LEU HB3 H 1 1.79 0.02 . 2 . . . . 27 L HB3 . 16913 1 281 . 1 1 27 27 LEU HD11 H 1 0.54 0.02 . 1 . . . . 27 L QD1 . 16913 1 282 . 1 1 27 27 LEU HD12 H 1 0.54 0.02 . 1 . . . . 27 L QD1 . 16913 1 283 . 1 1 27 27 LEU HD13 H 1 0.54 0.02 . 1 . . . . 27 L QD1 . 16913 1 284 . 1 1 27 27 LEU HD21 H 1 0.69 0.02 . 1 . . . . 27 L QD2 . 16913 1 285 . 1 1 27 27 LEU HD22 H 1 0.69 0.02 . 1 . . . . 27 L QD2 . 16913 1 286 . 1 1 27 27 LEU HD23 H 1 0.69 0.02 . 1 . . . . 27 L QD2 . 16913 1 287 . 1 1 27 27 LEU HG H 1 1.83 0.02 . 1 . . . . 27 L HG . 16913 1 288 . 1 1 27 27 LEU CA C 13 57.98 0.2 . 1 . . . . 27 L CA . 16913 1 289 . 1 1 27 27 LEU CB C 13 41.17 0.2 . 1 . . . . 27 L CB . 16913 1 290 . 1 1 27 27 LEU CD1 C 13 23.2 0.2 . 2 . . . . 27 L CD1 . 16913 1 291 . 1 1 27 27 LEU CD2 C 13 26.72 0.2 . 2 . . . . 27 L CD2 . 16913 1 292 . 1 1 27 27 LEU CG C 13 26.52 0.2 . 1 . . . . 27 L CG . 16913 1 293 . 1 1 28 28 LYS H H 1 7.98 0.02 . 1 . . . . 28 K HN . 16913 1 294 . 1 1 28 28 LYS HA H 1 4.05 0.02 . 1 . . . . 28 K HA . 16913 1 295 . 1 1 28 28 LYS HB2 H 1 1.8 0.02 . 2 . . . . 28 K QB . 16913 1 296 . 1 1 28 28 LYS HB3 H 1 1.8 0.02 . 2 . . . . 28 K QB . 16913 1 297 . 1 1 28 28 LYS HD2 H 1 1.66 0.02 . 2 . . . . 28 K QD . 16913 1 298 . 1 1 28 28 LYS HD3 H 1 1.66 0.02 . 2 . . . . 28 K QD . 16913 1 299 . 1 1 28 28 LYS HE2 H 1 2.97 0.02 . 2 . . . . 28 K QE . 16913 1 300 . 1 1 28 28 LYS HE3 H 1 2.97 0.02 . 2 . . . . 28 K QE . 16913 1 301 . 1 1 28 28 LYS HG2 H 1 1.4 0.02 . 2 . . . . 28 K HG2 . 16913 1 302 . 1 1 28 28 LYS HG3 H 1 1.47 0.02 . 2 . . . . 28 K HG3 . 16913 1 303 . 1 1 28 28 LYS CA C 13 58.56 0.2 . 1 . . . . 28 K CA . 16913 1 304 . 1 1 28 28 LYS CB C 13 32.4 0.2 . 1 . . . . 28 K CB . 16913 1 305 . 1 1 28 28 LYS CD C 13 29.28 0.2 . 1 . . . . 28 K CD . 16913 1 306 . 1 1 28 28 LYS CE C 13 42.34 0.2 . 1 . . . . 28 K CE . 16913 1 307 . 1 1 28 28 LYS CG C 13 25.28 0.2 . 1 . . . . 28 K CG . 16913 1 308 . 1 1 29 29 GLN H H 1 7.69 0.02 . 1 . . . . 29 Q HN . 16913 1 309 . 1 1 29 29 GLN HA H 1 3.87 0.02 . 1 . . . . 29 Q HA . 16913 1 310 . 1 1 29 29 GLN HB2 H 1 1.61 0.02 . 2 . . . . 29 Q HB2 . 16913 1 311 . 1 1 29 29 GLN HB3 H 1 1.86 0.02 . 2 . . . . 29 Q HB3 . 16913 1 312 . 1 1 29 29 GLN HG2 H 1 1.86 0.02 . 2 . . . . 29 Q QG . 16913 1 313 . 1 1 29 29 GLN HG3 H 1 1.86 0.02 . 2 . . . . 29 Q QG . 16913 1 314 . 1 1 29 29 GLN CA C 13 56.45 0.2 . 1 . . . . 29 Q CA . 16913 1 315 . 1 1 29 29 GLN CB C 13 28.56 0.2 . 1 . . . . 29 Q CB . 16913 1 316 . 1 1 29 29 GLN CG C 13 33.77 0.2 . 1 . . . . 29 Q CG . 16913 1 317 . 1 1 30 30 HIS H H 1 7.5 0.02 . 1 . . . . 30 H HN . 16913 1 318 . 1 1 30 30 HIS HA H 1 4.38 0.02 . 1 . . . . 30 H HA . 16913 1 319 . 1 1 30 30 HIS HB2 H 1 2.25 0.02 . 2 . . . . 30 H HB2 . 16913 1 320 . 1 1 30 30 HIS HB3 H 1 2.87 0.02 . 2 . . . . 30 H HB3 . 16913 1 321 . 1 1 30 30 HIS HD2 H 1 6.5 0.02 . 1 . . . . 30 H HD2 . 16913 1 322 . 1 1 30 30 HIS HE1 H 1 8.68 0.02 . 1 . . . . 30 H HE1 . 16913 1 323 . 1 1 30 30 HIS CA C 13 55.75 0.2 . 1 . . . . 30 H CA . 16913 1 324 . 1 1 30 30 HIS CB C 13 28.06 0.2 . 1 . . . . 30 H CB . 16913 1 325 . 1 1 30 30 HIS CD2 C 13 119.5 0.2 . 1 . . . . 30 H CD2 . 16913 1 326 . 1 1 30 30 HIS CE1 C 13 136.75 0.2 . 1 . . . . 30 H CE1 . 16913 1 327 . 1 1 31 31 ALA H H 1 7.59 0.02 . 1 . . . . 31 A HN . 16913 1 328 . 1 1 31 31 ALA HA H 1 4.08 0.02 . 1 . . . . 31 A HA . 16913 1 329 . 1 1 31 31 ALA HB1 H 1 1.3 0.02 . 1 . . . . 31 A QB . 16913 1 330 . 1 1 31 31 ALA HB2 H 1 1.3 0.02 . 1 . . . . 31 A QB . 16913 1 331 . 1 1 31 31 ALA HB3 H 1 1.3 0.02 . 1 . . . . 31 A QB . 16913 1 332 . 1 1 31 31 ALA C C 13 177.99 0.2 . 1 . . . . 31 A C . 16913 1 333 . 1 1 31 31 ALA CA C 13 53.86 0.2 . 1 . . . . 31 A CA . 16913 1 334 . 1 1 31 31 ALA CB C 13 19.07 0.2 . 1 . . . . 31 A CB . 16913 1 335 . 1 1 32 32 GLU H H 1 8.32 0.02 . 1 . . . . 32 E HN . 16913 1 336 . 1 1 32 32 GLU HA H 1 4.09 0.02 . 1 . . . . 32 E HA . 16913 1 337 . 1 1 32 32 GLU HB2 H 1 1.9 0.02 . 2 . . . . 32 E HB2 . 16913 1 338 . 1 1 32 32 GLU HB3 H 1 2.02 0.02 . 2 . . . . 32 E HB3 . 16913 1 339 . 1 1 32 32 GLU HG2 H 1 2.35 0.02 . 2 . . . . 32 E QG . 16913 1 340 . 1 1 32 32 GLU HG3 H 1 2.35 0.02 . 2 . . . . 32 E QG . 16913 1 341 . 1 1 32 32 GLU C C 13 176.38 0.2 . 1 . . . . 32 E C . 16913 1 342 . 1 1 32 32 GLU CA C 13 57.94 0.2 . 1 . . . . 32 E CA . 16913 1 343 . 1 1 32 32 GLU CB C 13 27.87 0.2 . 1 . . . . 32 E CB . 16913 1 344 . 1 1 32 32 GLU CG C 13 33.49 0.2 . 1 . . . . 32 E CG . 16913 1 345 . 1 1 33 33 GLN H H 1 7.79 0.02 . 1 . . . . 33 Q HN . 16913 1 346 . 1 1 33 33 GLN HA H 1 4.3 0.02 . 1 . . . . 33 Q HA . 16913 1 347 . 1 1 33 33 GLN HB2 H 1 2.09 0.02 . 2 . . . . 33 Q HB2 . 16913 1 348 . 1 1 33 33 GLN HB3 H 1 1.96 0.02 . 2 . . . . 33 Q HB3 . 16913 1 349 . 1 1 33 33 GLN HG2 H 1 2.31 0.02 . 2 . . . . 33 Q QG . 16913 1 350 . 1 1 33 33 GLN HG3 H 1 2.31 0.02 . 2 . . . . 33 Q QG . 16913 1 351 . 1 1 33 33 GLN C C 13 175.48 0.2 . 1 . . . . 33 Q C . 16913 1 352 . 1 1 33 33 GLN CA C 13 56.44 0.2 . 1 . . . . 33 Q CA . 16913 1 353 . 1 1 33 33 GLN CB C 13 30.05 0.2 . 1 . . . . 33 Q CB . 16913 1 354 . 1 1 33 33 GLN CG C 13 34.44 0.2 . 1 . . . . 33 Q CG . 16913 1 355 . 1 1 34 34 ASN H H 1 8.39 0.02 . 1 . . . . 34 N HN . 16913 1 356 . 1 1 34 34 ASN HA H 1 4.51 0.02 . 1 . . . . 34 N HA . 16913 1 357 . 1 1 34 34 ASN HB2 H 1 2.79 0.02 . 2 . . . . 34 N HB2 . 16913 1 358 . 1 1 34 34 ASN HB3 H 1 2.88 0.02 . 2 . . . . 34 N HB3 . 16913 1 359 . 1 1 34 34 ASN C C 13 174.38 0.2 . 1 . . . . 34 N C . 16913 1 360 . 1 1 34 34 ASN CA C 13 54.5 0.2 . 1 . . . . 34 N CA . 16913 1 361 . 1 1 34 34 ASN CB C 13 38.77 0.2 . 1 . . . . 34 N CB . 16913 1 362 . 1 1 35 35 LEU H H 1 7.87 0.02 . 1 . . . . 35 L HN . 16913 1 363 . 1 1 35 35 LEU HA H 1 4.59 0.02 . 1 . . . . 35 L HA . 16913 1 364 . 1 1 35 35 LEU HB2 H 1 1.01 0.02 . 2 . . . . 35 L HB2 . 16913 1 365 . 1 1 35 35 LEU HB3 H 1 1.54 0.02 . 2 . . . . 35 L HB3 . 16913 1 366 . 1 1 35 35 LEU HD11 H 1 0.55 0.02 . 1 . . . . 35 L QD1 . 16913 1 367 . 1 1 35 35 LEU HD12 H 1 0.55 0.02 . 1 . . . . 35 L QD1 . 16913 1 368 . 1 1 35 35 LEU HD13 H 1 0.55 0.02 . 1 . . . . 35 L QD1 . 16913 1 369 . 1 1 35 35 LEU HD21 H 1 0.52 0.02 . 1 . . . . 35 L QD2 . 16913 1 370 . 1 1 35 35 LEU HD22 H 1 0.52 0.02 . 1 . . . . 35 L QD2 . 16913 1 371 . 1 1 35 35 LEU HD23 H 1 0.52 0.02 . 1 . . . . 35 L QD2 . 16913 1 372 . 1 1 35 35 LEU HG H 1 1.39 0.02 . 1 . . . . 35 L HG . 16913 1 373 . 1 1 35 35 LEU C C 13 175.69 0.2 . 1 . . . . 35 L C . 16913 1 374 . 1 1 35 35 LEU CA C 13 54.43 0.2 . 1 . . . . 35 L CA . 16913 1 375 . 1 1 35 35 LEU CB C 13 45.65 0.2 . 1 . . . . 35 L CB . 16913 1 376 . 1 1 35 35 LEU CD1 C 13 23.15 0.2 . 2 . . . . 35 L CD1 . 16913 1 377 . 1 1 35 35 LEU CD2 C 13 25.62 0.2 . 2 . . . . 35 L CD2 . 16913 1 378 . 1 1 35 35 LEU CG C 13 26.63 0.2 . 1 . . . . 35 L CG . 16913 1 379 . 1 1 36 36 ILE H H 1 8.89 0.02 . 1 . . . . 36 I HN . 16913 1 380 . 1 1 36 36 ILE HA H 1 4.12 0.02 . 1 . . . . 36 I HA . 16913 1 381 . 1 1 36 36 ILE HB H 1 1.53 0.02 . 1 . . . . 36 I HB . 16913 1 382 . 1 1 36 36 ILE HD11 H 1 0.57 0.02 . 1 . . . . 36 I QD1 . 16913 1 383 . 1 1 36 36 ILE HD12 H 1 0.57 0.02 . 1 . . . . 36 I QD1 . 16913 1 384 . 1 1 36 36 ILE HD13 H 1 0.57 0.02 . 1 . . . . 36 I QD1 . 16913 1 385 . 1 1 36 36 ILE HG12 H 1 0.89 0.02 . 2 . . . . 36 I HG12 . 16913 1 386 . 1 1 36 36 ILE HG13 H 1 1.36 0.02 . 2 . . . . 36 I HG13 . 16913 1 387 . 1 1 36 36 ILE HG21 H 1 0.76 0.02 . 1 . . . . 36 I QG2 . 16913 1 388 . 1 1 36 36 ILE HG22 H 1 0.76 0.02 . 1 . . . . 36 I QG2 . 16913 1 389 . 1 1 36 36 ILE HG23 H 1 0.76 0.02 . 1 . . . . 36 I QG2 . 16913 1 390 . 1 1 36 36 ILE C C 13 176.31 0.2 . 1 . . . . 36 I C . 16913 1 391 . 1 1 36 36 ILE CA C 13 59.99 0.2 . 1 . . . . 36 I CA . 16913 1 392 . 1 1 36 36 ILE CB C 13 41.01 0.2 . 1 . . . . 36 I CB . 16913 1 393 . 1 1 36 36 ILE CD1 C 13 13.64 0.2 . 1 . . . . 36 I CD1 . 16913 1 394 . 1 1 36 36 ILE CG1 C 13 27.08 0.2 . 1 . . . . 36 I CG1 . 16913 1 395 . 1 1 36 36 ILE CG2 C 13 17.44 0.2 . 1 . . . . 36 I CG2 . 16913 1 396 . 1 1 37 37 LEU H H 1 8.62 0.02 . 1 . . . . 37 L HN . 16913 1 397 . 1 1 37 37 LEU HA H 1 4.01 0.02 . 1 . . . . 37 L HA . 16913 1 398 . 1 1 37 37 LEU HB2 H 1 1.26 0.02 . 2 . . . . 37 L HB2 . 16913 1 399 . 1 1 37 37 LEU HB3 H 1 1.95 0.02 . 2 . . . . 37 L HB3 . 16913 1 400 . 1 1 37 37 LEU HD11 H 1 0.96 0.02 . 1 . . . . 37 L QQD . 16913 1 401 . 1 1 37 37 LEU HD12 H 1 0.96 0.02 . 1 . . . . 37 L QQD . 16913 1 402 . 1 1 37 37 LEU HD13 H 1 0.96 0.02 . 1 . . . . 37 L QQD . 16913 1 403 . 1 1 37 37 LEU HD21 H 1 0.96 0.02 . 1 . . . . 37 L QQD . 16913 1 404 . 1 1 37 37 LEU HD22 H 1 0.96 0.02 . 1 . . . . 37 L QQD . 16913 1 405 . 1 1 37 37 LEU HD23 H 1 0.96 0.02 . 1 . . . . 37 L QQD . 16913 1 406 . 1 1 37 37 LEU HG H 1 0.86 0.02 . 1 . . . . 37 L HG . 16913 1 407 . 1 1 37 37 LEU C C 13 175.43 0.2 . 1 . . . . 37 L C . 16913 1 408 . 1 1 37 37 LEU CA C 13 56.33 0.2 . 1 . . . . 37 L CA . 16913 1 409 . 1 1 37 37 LEU CB C 13 42.39 0.2 . 1 . . . . 37 L CB . 16913 1 410 . 1 1 37 37 LEU CD1 C 13 24.27 0.2 . 2 . . . . 37 L CD1 . 16913 1 411 . 1 1 37 37 LEU CD2 C 13 24.41 0.2 . 2 . . . . 37 L CD2 . 16913 1 412 . 1 1 37 37 LEU CG C 13 27.41 0.2 . 1 . . . . 37 L CG . 16913 1 413 . 1 1 38 38 ALA H H 1 9.07 0.02 . 1 . . . . 38 A HN . 16913 1 414 . 1 1 38 38 ALA HA H 1 4.64 0.02 . 1 . . . . 38 A HA . 16913 1 415 . 1 1 38 38 ALA HB1 H 1 1.18 0.02 . 1 . . . . 38 A QB . 16913 1 416 . 1 1 38 38 ALA HB2 H 1 1.18 0.02 . 1 . . . . 38 A QB . 16913 1 417 . 1 1 38 38 ALA HB3 H 1 1.18 0.02 . 1 . . . . 38 A QB . 16913 1 418 . 1 1 38 38 ALA C C 13 177.63 0.2 . 1 . . . . 38 A C . 16913 1 419 . 1 1 38 38 ALA CA C 13 52.31 0.2 . 1 . . . . 38 A CA . 16913 1 420 . 1 1 38 38 ALA CB C 13 19.89 0.2 . 1 . . . . 38 A CB . 16913 1 421 . 1 1 39 39 GLY H H 1 7.38 0.02 . 1 . . . . 39 G HN . 16913 1 422 . 1 1 39 39 GLY HA2 H 1 3.91 0.02 . 2 . . . . 39 G HA1 . 16913 1 423 . 1 1 39 39 GLY HA3 H 1 4.23 0.02 . 2 . . . . 39 G HA2 . 16913 1 424 . 1 1 39 39 GLY C C 13 171.36 0.2 . 1 . . . . 39 G C . 16913 1 425 . 1 1 39 39 GLY CA C 13 45.87 0.2 . 1 . . . . 39 G CA . 16913 1 426 . 1 1 40 40 VAL H H 1 8.57 0.02 . 1 . . . . 40 V HN . 16913 1 427 . 1 1 40 40 VAL HA H 1 4.19 0.02 . 1 . . . . 40 V HA . 16913 1 428 . 1 1 40 40 VAL HB H 1 2.15 0.02 . 1 . . . . 40 V HB . 16913 1 429 . 1 1 40 40 VAL HG11 H 1 0.86 0.02 . 1 . . . . 40 V QG1 . 16913 1 430 . 1 1 40 40 VAL HG12 H 1 0.86 0.02 . 1 . . . . 40 V QG1 . 16913 1 431 . 1 1 40 40 VAL HG13 H 1 0.86 0.02 . 1 . . . . 40 V QG1 . 16913 1 432 . 1 1 40 40 VAL HG21 H 1 0.88 0.02 . 1 . . . . 40 V QG2 . 16913 1 433 . 1 1 40 40 VAL HG22 H 1 0.88 0.02 . 1 . . . . 40 V QG2 . 16913 1 434 . 1 1 40 40 VAL HG23 H 1 0.88 0.02 . 1 . . . . 40 V QG2 . 16913 1 435 . 1 1 40 40 VAL C C 13 175.01 0.2 . 1 . . . . 40 V C . 16913 1 436 . 1 1 40 40 VAL CA C 13 63.12 0.2 . 1 . . . . 40 V CA . 16913 1 437 . 1 1 40 40 VAL CB C 13 32.17 0.2 . 1 . . . . 40 V CB . 16913 1 438 . 1 1 40 40 VAL CG1 C 13 22.09 0.2 . 2 . . . . 40 V CG1 . 16913 1 439 . 1 1 40 40 VAL CG2 C 13 21.96 0.2 . 2 . . . . 40 V CG2 . 16913 1 440 . 1 1 41 41 ASP H H 1 9.08 0.02 . 1 . . . . 41 D HN . 16913 1 441 . 1 1 41 41 ASP HA H 1 4.83 0.02 . 1 . . . . 41 D HA . 16913 1 442 . 1 1 41 41 ASP HB2 H 1 2.4 0.02 . 2 . . . . 41 D HB2 . 16913 1 443 . 1 1 41 41 ASP HB3 H 1 2.77 0.02 . 2 . . . . 41 D HB3 . 16913 1 444 . 1 1 41 41 ASP C C 13 174.66 0.2 . 1 . . . . 41 D C . 16913 1 445 . 1 1 41 41 ASP CA C 13 55.63 0.2 . 1 . . . . 41 D CA . 16913 1 446 . 1 1 41 41 ASP CB C 13 40.86 0.2 . 1 . . . . 41 D CB . 16913 1 447 . 1 1 42 42 ALA H H 1 8.01 0.02 . 1 . . . . 42 A HN . 16913 1 448 . 1 1 42 42 ALA HA H 1 4.45 0.02 . 1 . . . . 42 A HA . 16913 1 449 . 1 1 42 42 ALA HB1 H 1 1.25 0.02 . 1 . . . . 42 A QB . 16913 1 450 . 1 1 42 42 ALA HB2 H 1 1.25 0.02 . 1 . . . . 42 A QB . 16913 1 451 . 1 1 42 42 ALA HB3 H 1 1.25 0.02 . 1 . . . . 42 A QB . 16913 1 452 . 1 1 42 42 ALA C C 13 175.19 0.2 . 1 . . . . 42 A C . 16913 1 453 . 1 1 42 42 ALA CA C 13 51.86 0.2 . 1 . . . . 42 A CA . 16913 1 454 . 1 1 42 42 ALA CB C 13 22.35 0.2 . 1 . . . . 42 A CB . 16913 1 455 . 1 1 43 43 GLY H H 1 8.49 0.02 . 1 . . . . 43 G HN . 16913 1 456 . 1 1 43 43 GLY HA2 H 1 3.96 0.02 . 2 . . . . 43 G HA1 . 16913 1 457 . 1 1 43 43 GLY HA3 H 1 4.65 0.02 . 2 . . . . 43 G HA2 . 16913 1 458 . 1 1 43 43 GLY C C 13 171.59 0.2 . 1 . . . . 43 G C . 16913 1 459 . 1 1 43 43 GLY CA C 13 46.77 0.2 . 1 . . . . 43 G CA . 16913 1 460 . 1 1 44 44 GLN H H 1 9.01 0.02 . 1 . . . . 44 Q HN . 16913 1 461 . 1 1 44 44 GLN HA H 1 5.16 0.02 . 1 . . . . 44 Q HA . 16913 1 462 . 1 1 44 44 GLN HB2 H 1 1.73 0.02 . 2 . . . . 44 Q HB2 . 16913 1 463 . 1 1 44 44 GLN HB3 H 1 2.15 0.02 . 2 . . . . 44 Q HB3 . 16913 1 464 . 1 1 44 44 GLN HG2 H 1 1.99 0.02 . 2 . . . . 44 Q QG . 16913 1 465 . 1 1 44 44 GLN HG3 H 1 1.99 0.02 . 2 . . . . 44 Q QG . 16913 1 466 . 1 1 44 44 GLN C C 13 174.05 0.2 . 1 . . . . 44 Q C . 16913 1 467 . 1 1 44 44 GLN CA C 13 54.91 0.2 . 1 . . . . 44 Q CA . 16913 1 468 . 1 1 44 44 GLN CB C 13 33.5 0.2 . 1 . . . . 44 Q CB . 16913 1 469 . 1 1 44 44 GLN CG C 13 33.82 0.2 . 1 . . . . 44 Q CG . 16913 1 470 . 1 1 45 45 ILE H H 1 9.16 0.02 . 1 . . . . 45 I HN . 16913 1 471 . 1 1 45 45 ILE HA H 1 4.57 0.02 . 1 . . . . 45 I HA . 16913 1 472 . 1 1 45 45 ILE HB H 1 1.26 0.02 . 1 . . . . 45 I HB . 16913 1 473 . 1 1 45 45 ILE HD11 H 1 0.56 0.02 . 1 . . . . 45 I QD1 . 16913 1 474 . 1 1 45 45 ILE HD12 H 1 0.56 0.02 . 1 . . . . 45 I QD1 . 16913 1 475 . 1 1 45 45 ILE HD13 H 1 0.56 0.02 . 1 . . . . 45 I QD1 . 16913 1 476 . 1 1 45 45 ILE HG12 H 1 1.03 0.02 . 1 . . . . 45 I QG1 . 16913 1 477 . 1 1 45 45 ILE HG13 H 1 1.03 0.02 . 1 . . . . 45 I QG1 . 16913 1 478 . 1 1 45 45 ILE HG21 H 1 0.36 0.02 . 1 . . . . 45 I QG2 . 16913 1 479 . 1 1 45 45 ILE HG22 H 1 0.36 0.02 . 1 . . . . 45 I QG2 . 16913 1 480 . 1 1 45 45 ILE HG23 H 1 0.36 0.02 . 1 . . . . 45 I QG2 . 16913 1 481 . 1 1 45 45 ILE C C 13 174.66 0.2 . 1 . . . . 45 I C . 16913 1 482 . 1 1 45 45 ILE CA C 13 59.94 0.2 . 1 . . . . 45 I CA . 16913 1 483 . 1 1 45 45 ILE CB C 13 40.48 0.2 . 1 . . . . 45 I CB . 16913 1 484 . 1 1 45 45 ILE CD1 C 13 14.63 0.2 . 1 . . . . 45 I CD1 . 16913 1 485 . 1 1 45 45 ILE CG1 C 13 27.55 0.2 . 1 . . . . 45 I CG1 . 16913 1 486 . 1 1 45 45 ILE CG2 C 13 17.2 0.2 . 1 . . . . 45 I CG2 . 16913 1 487 . 1 1 46 46 ILE H H 1 9.27 0.02 . 1 . . . . 46 I HN . 16913 1 488 . 1 1 46 46 ILE HA H 1 4.59 0.02 . 1 . . . . 46 I HA . 16913 1 489 . 1 1 46 46 ILE HB H 1 1.63 0.02 . 1 . . . . 46 I HB . 16913 1 490 . 1 1 46 46 ILE HG12 H 1 1.05 0.02 . 1 . . . . 46 I QG1 . 16913 1 491 . 1 1 46 46 ILE HG13 H 1 1.05 0.02 . 1 . . . . 46 I QG1 . 16913 1 492 . 1 1 46 46 ILE HG21 H 1 0.15 0.02 . 1 . . . . 46 I QG2 . 16913 1 493 . 1 1 46 46 ILE HG22 H 1 0.15 0.02 . 1 . . . . 46 I QG2 . 16913 1 494 . 1 1 46 46 ILE HG23 H 1 0.15 0.02 . 1 . . . . 46 I QG2 . 16913 1 495 . 1 1 46 46 ILE C C 13 174.92 0.2 . 1 . . . . 46 I C . 16913 1 496 . 1 1 46 46 ILE CA C 13 60.87 0.2 . 1 . . . . 46 I CA . 16913 1 497 . 1 1 46 46 ILE CB C 13 40.96 0.2 . 1 . . . . 46 I CB . 16913 1 498 . 1 1 46 46 ILE CD1 C 13 17.26 0.2 . 1 . . . . 46 I CD1 . 16913 1 499 . 1 1 46 46 ILE CG1 C 13 31.8 0.2 . 1 . . . . 46 I CG1 . 16913 1 500 . 1 1 46 46 ILE CG2 C 13 21.57 0.2 . 1 . . . . 46 I CG2 . 16913 1 501 . 1 1 47 47 LYS H H 1 8.47 0.02 . 1 . . . . 47 K HN . 16913 1 502 . 1 1 47 47 LYS HA H 1 5.03 0.02 . 1 . . . . 47 K HA . 16913 1 503 . 1 1 47 47 LYS HB2 H 1 1.65 0.02 . 2 . . . . 47 K HB2 . 16913 1 504 . 1 1 47 47 LYS HB3 H 1 1.89 0.02 . 2 . . . . 47 K HB3 . 16913 1 505 . 1 1 47 47 LYS HD2 H 1 1.68 0.02 . 2 . . . . 47 K QD . 16913 1 506 . 1 1 47 47 LYS HD3 H 1 1.68 0.02 . 2 . . . . 47 K QD . 16913 1 507 . 1 1 47 47 LYS HE2 H 1 2.94 0.02 . 2 . . . . 47 K QE . 16913 1 508 . 1 1 47 47 LYS HE3 H 1 2.94 0.02 . 2 . . . . 47 K QE . 16913 1 509 . 1 1 47 47 LYS HG2 H 1 1.44 0.02 . 2 . . . . 47 K QG . 16913 1 510 . 1 1 47 47 LYS HG3 H 1 1.44 0.02 . 2 . . . . 47 K QG . 16913 1 511 . 1 1 47 47 LYS C C 13 175.55 0.2 . 1 . . . . 47 K C . 16913 1 512 . 1 1 47 47 LYS CA C 13 55.13 0.2 . 1 . . . . 47 K CA . 16913 1 513 . 1 1 47 47 LYS CB C 13 35.45 0.2 . 1 . . . . 47 K CB . 16913 1 514 . 1 1 47 47 LYS CD C 13 29.5 0.2 . 1 . . . . 47 K CD . 16913 1 515 . 1 1 47 47 LYS CE C 13 42.26 0.2 . 1 . . . . 47 K CE . 16913 1 516 . 1 1 47 47 LYS CG C 13 24.17 0.2 . 1 . . . . 47 K CG . 16913 1 517 . 1 1 48 48 GLY H H 1 8.62 0.02 . 1 . . . . 48 G HN . 16913 1 518 . 1 1 48 48 GLY HA2 H 1 3.41 0.02 . 2 . . . . 48 G HA1 . 16913 1 519 . 1 1 48 48 GLY HA3 H 1 3.78 0.02 . 2 . . . . 48 G HA2 . 16913 1 520 . 1 1 48 48 GLY C C 13 172.24 0.2 . 1 . . . . 48 G C . 16913 1 521 . 1 1 48 48 GLY CA C 13 45.79 0.2 . 1 . . . . 48 G CA . 16913 1 522 . 1 1 49 49 ILE H H 1 7.28 0.02 . 1 . . . . 49 I HN . 16913 1 523 . 1 1 49 49 ILE HA H 1 3.65 0.02 . 1 . . . . 49 I HA . 16913 1 524 . 1 1 49 49 ILE HB H 1 1.73 0.02 . 1 . . . . 49 I HB . 16913 1 525 . 1 1 49 49 ILE HD11 H 1 0.76 0.02 . 1 . . . . 49 I QD1 . 16913 1 526 . 1 1 49 49 ILE HD12 H 1 0.76 0.02 . 1 . . . . 49 I QD1 . 16913 1 527 . 1 1 49 49 ILE HD13 H 1 0.76 0.02 . 1 . . . . 49 I QD1 . 16913 1 528 . 1 1 49 49 ILE HG21 H 1 0.91 0.02 . 1 . . . . 49 I QG2 . 16913 1 529 . 1 1 49 49 ILE HG22 H 1 0.91 0.02 . 1 . . . . 49 I QG2 . 16913 1 530 . 1 1 49 49 ILE HG23 H 1 0.91 0.02 . 1 . . . . 49 I QG2 . 16913 1 531 . 1 1 49 49 ILE CA C 13 59.97 0.2 . 1 . . . . 49 I CA . 16913 1 532 . 1 1 49 49 ILE CB C 13 39.1 0.2 . 1 . . . . 49 I CB . 16913 1 533 . 1 1 49 49 ILE CD1 C 13 13.77 0.2 . 1 . . . . 49 I CD1 . 16913 1 534 . 1 1 49 49 ILE CG1 C 13 26.25 0.2 . 1 . . . . 49 I CG1 . 16913 1 535 . 1 1 49 49 ILE CG2 C 13 17.74 0.2 . 1 . . . . 49 I CG2 . 16913 1 536 . 1 1 50 50 PRO HA H 1 4.49 0.02 . 1 . . . . 50 P HA . 16913 1 537 . 1 1 50 50 PRO HB2 H 1 1.42 0.02 . 2 . . . . 50 P HB2 . 16913 1 538 . 1 1 50 50 PRO HB3 H 1 2.12 0.02 . 2 . . . . 50 P HB3 . 16913 1 539 . 1 1 50 50 PRO HD2 H 1 3.44 0.02 . 2 . . . . 50 P HD2 . 16913 1 540 . 1 1 50 50 PRO HD3 H 1 3.64 0.02 . 2 . . . . 50 P HD3 . 16913 1 541 . 1 1 50 50 PRO HG2 H 1 1.23 0.02 . 2 . . . . 50 P HG2 . 16913 1 542 . 1 1 50 50 PRO HG3 H 1 1.86 0.02 . 2 . . . . 50 P HG3 . 16913 1 543 . 1 1 50 50 PRO C C 13 177.34 0.2 . 1 . . . . 50 P C . 16913 1 544 . 1 1 50 50 PRO CA C 13 63.53 0.2 . 1 . . . . 50 P CA . 16913 1 545 . 1 1 50 50 PRO CB C 13 34.83 0.2 . 1 . . . . 50 P CB . 16913 1 546 . 1 1 50 50 PRO CD C 13 50.46 0.2 . 1 . . . . 50 P CD . 16913 1 547 . 1 1 50 50 PRO CG C 13 24.56 0.2 . 1 . . . . 50 P CG . 16913 1 548 . 1 1 51 51 HIS H H 1 8.61 0.02 . 1 . . . . 51 H HN . 16913 1 549 . 1 1 51 51 HIS HA H 1 4.94 0.02 . 1 . . . . 51 H HA . 16913 1 550 . 1 1 51 51 HIS HB2 H 1 3.67 0.02 . 2 . . . . 51 H QB . 16913 1 551 . 1 1 51 51 HIS HB3 H 1 3.67 0.02 . 2 . . . . 51 H QB . 16913 1 552 . 1 1 51 51 HIS C C 13 173.85 0.2 . 1 . . . . 51 H C . 16913 1 553 . 1 1 51 51 HIS CA C 13 56.21 0.2 . 1 . . . . 51 H CA . 16913 1 554 . 1 1 51 51 HIS CB C 13 29.73 0.2 . 1 . . . . 51 H CB . 16913 1 555 . 1 1 51 51 HIS CD2 C 13 120.29 0.2 . 1 . . . . 51 H CD2 . 16913 1 556 . 1 1 52 52 TRP H H 1 8.03 0.02 . 1 . . . . 52 W HN . 16913 1 557 . 1 1 52 52 TRP HA H 1 4.3 0.02 . 1 . . . . 52 W HA . 16913 1 558 . 1 1 52 52 TRP HB2 H 1 3.33 0.02 . 2 . . . . 52 W QB . 16913 1 559 . 1 1 52 52 TRP HB3 H 1 3.33 0.02 . 2 . . . . 52 W QB . 16913 1 560 . 1 1 52 52 TRP HD1 H 1 7.04 0.02 . 1 . . . . 52 W HD1 . 16913 1 561 . 1 1 52 52 TRP HE1 H 1 10.09 0.02 . 1 . . . . 52 W HE1 . 16913 1 562 . 1 1 52 52 TRP HE3 H 1 7.35 0.02 . 1 . . . . 52 W HE3 . 16913 1 563 . 1 1 52 52 TRP HH2 H 1 7.09 0.02 . 1 . . . . 52 W HH2 . 16913 1 564 . 1 1 52 52 TRP HZ2 H 1 7.43 0.02 . 1 . . . . 52 W HZ2 . 16913 1 565 . 1 1 52 52 TRP HZ3 H 1 6.99 0.02 . 1 . . . . 52 W HZ3 . 16913 1 566 . 1 1 52 52 TRP C C 13 175.22 0.2 . 1 . . . . 52 W C . 16913 1 567 . 1 1 52 52 TRP CA C 13 58.46 0.2 . 1 . . . . 52 W CA . 16913 1 568 . 1 1 52 52 TRP CB C 13 26.67 0.2 . 1 . . . . 52 W CB . 16913 1 569 . 1 1 52 52 TRP CD1 C 13 127.46 0.2 . 1 . . . . 52 W CD1 . 16913 1 570 . 1 1 52 52 TRP CE3 C 13 120.11 0.2 . 1 . . . . 52 W CE3 . 16913 1 571 . 1 1 52 52 TRP CH2 C 13 124.55 0.2 . 1 . . . . 52 W CH2 . 16913 1 572 . 1 1 52 52 TRP CZ2 C 13 115.23 0.2 . 1 . . . . 52 W CZ2 . 16913 1 573 . 1 1 52 52 TRP CZ3 C 13 121.94 0.2 . 1 . . . . 52 W CZ3 . 16913 1 574 . 1 1 53 53 ASP H H 1 7.48 0.02 . 1 . . . . 53 D HN . 16913 1 575 . 1 1 53 53 ASP HA H 1 4.84 0.02 . 1 . . . . 53 D HA . 16913 1 576 . 1 1 53 53 ASP HB2 H 1 2.51 0.02 . 2 . . . . 53 D QB . 16913 1 577 . 1 1 53 53 ASP HB3 H 1 2.51 0.02 . 2 . . . . 53 D QB . 16913 1 578 . 1 1 53 53 ASP C C 13 174.69 0.2 . 1 . . . . 53 D C . 16913 1 579 . 1 1 53 53 ASP CA C 13 54.64 0.2 . 1 . . . . 53 D CA . 16913 1 580 . 1 1 53 53 ASP CB C 13 41.63 0.2 . 1 . . . . 53 D CB . 16913 1 581 . 1 1 54 54 ASN H H 1 8.28 0.02 . 1 . . . . 54 N HN . 16913 1 582 . 1 1 54 54 ASN HA H 1 5.05 0.02 . 1 . . . . 54 N HA . 16913 1 583 . 1 1 54 54 ASN HB2 H 1 2.11 0.02 . 2 . . . . 54 N HB2 . 16913 1 584 . 1 1 54 54 ASN HB3 H 1 3.01 0.02 . 2 . . . . 54 N HB3 . 16913 1 585 . 1 1 54 54 ASN C C 13 174.03 0.2 . 1 . . . . 54 N C . 16913 1 586 . 1 1 54 54 ASN CA C 13 53.11 0.2 . 1 . . . . 54 N CA . 16913 1 587 . 1 1 54 54 ASN CB C 13 41.45 0.2 . 1 . . . . 54 N CB . 16913 1 588 . 1 1 55 55 TYR H H 1 9.29 0.02 . 1 . . . . 55 Y HN . 16913 1 589 . 1 1 55 55 TYR HA H 1 5.03 0.02 . 1 . . . . 55 Y HA . 16913 1 590 . 1 1 55 55 TYR HB2 H 1 2.33 0.02 . 2 . . . . 55 Y HB2 . 16913 1 591 . 1 1 55 55 TYR HB3 H 1 3.13 0.02 . 2 . . . . 55 Y HB3 . 16913 1 592 . 1 1 55 55 TYR HD1 H 1 6.82 0.02 . 3 . . . . 55 Y QD . 16913 1 593 . 1 1 55 55 TYR HD2 H 1 6.82 0.02 . 3 . . . . 55 Y QD . 16913 1 594 . 1 1 55 55 TYR HE1 H 1 6.66 0.02 . 3 . . . . 55 Y QE . 16913 1 595 . 1 1 55 55 TYR HE2 H 1 6.66 0.02 . 3 . . . . 55 Y QE . 16913 1 596 . 1 1 55 55 TYR C C 13 175.31 0.2 . 1 . . . . 55 Y C . 16913 1 597 . 1 1 55 55 TYR CA C 13 57.92 0.2 . 1 . . . . 55 Y CA . 16913 1 598 . 1 1 55 55 TYR CB C 13 40.2 0.2 . 1 . . . . 55 Y CB . 16913 1 599 . 1 1 55 55 TYR CD1 C 13 133.02 0.2 . 3 . . . . 55 Y CD1 . 16913 1 600 . 1 1 55 55 TYR CD2 C 13 133.02 0.2 . 3 . . . . 55 Y CD2 . 16913 1 601 . 1 1 55 55 TYR CE1 C 13 118.33 0.2 . 3 . . . . 55 Y CE1 . 16913 1 602 . 1 1 55 55 TYR CE2 C 13 118.33 0.2 . 3 . . . . 55 Y CE2 . 16913 1 603 . 1 1 56 56 TYR H H 1 9.77 0.02 . 1 . . . . 56 Y HN . 16913 1 604 . 1 1 56 56 TYR HA H 1 4.63 0.02 . 1 . . . . 56 Y HA . 16913 1 605 . 1 1 56 56 TYR HB2 H 1 2.4 0.02 . 2 . . . . 56 Y HB2 . 16913 1 606 . 1 1 56 56 TYR HB3 H 1 3.06 0.02 . 2 . . . . 56 Y HB3 . 16913 1 607 . 1 1 56 56 TYR HD1 H 1 6.82 0.02 . 3 . . . . 56 Y QD . 16913 1 608 . 1 1 56 56 TYR HD2 H 1 6.82 0.02 . 3 . . . . 56 Y QD . 16913 1 609 . 1 1 56 56 TYR HE1 H 1 6.58 0.02 . 3 . . . . 56 Y QE . 16913 1 610 . 1 1 56 56 TYR HE2 H 1 6.58 0.02 . 3 . . . . 56 Y QE . 16913 1 611 . 1 1 56 56 TYR C C 13 174.71 0.2 . 1 . . . . 56 Y C . 16913 1 612 . 1 1 56 56 TYR CA C 13 57.97 0.2 . 1 . . . . 56 Y CA . 16913 1 613 . 1 1 56 56 TYR CB C 13 40.31 0.2 . 1 . . . . 56 Y CB . 16913 1 614 . 1 1 56 56 TYR CD1 C 13 132.4 0.2 . 3 . . . . 56 Y CD1 . 16913 1 615 . 1 1 56 56 TYR CD2 C 13 132.4 0.2 . 3 . . . . 56 Y CD2 . 16913 1 616 . 1 1 56 56 TYR CE1 C 13 118.48 0.2 . 3 . . . . 56 Y CE1 . 16913 1 617 . 1 1 56 56 TYR CE2 C 13 118.48 0.2 . 3 . . . . 56 Y CE2 . 16913 1 618 . 1 1 57 57 ASN H H 1 9.24 0.02 . 1 . . . . 57 N HN . 16913 1 619 . 1 1 57 57 ASN HA H 1 5.61 0.02 . 1 . . . . 57 N HA . 16913 1 620 . 1 1 57 57 ASN HB2 H 1 2.09 0.02 . 2 . . . . 57 N HB2 . 16913 1 621 . 1 1 57 57 ASN HB3 H 1 2.61 0.02 . 2 . . . . 57 N HB3 . 16913 1 622 . 1 1 57 57 ASN C C 13 173.17 0.2 . 1 . . . . 57 N C . 16913 1 623 . 1 1 57 57 ASN CA C 13 52.53 0.2 . 1 . . . . 57 N CA . 16913 1 624 . 1 1 57 57 ASN CB C 13 42.46 0.2 . 1 . . . . 57 N CB . 16913 1 625 . 1 1 58 58 LEU H H 1 8.84 0.02 . 1 . . . . 58 L HN . 16913 1 626 . 1 1 58 58 LEU HA H 1 5.23 0.02 . 1 . . . . 58 L HA . 16913 1 627 . 1 1 58 58 LEU HB2 H 1 1.3 0.02 . 2 . . . . 58 L HB2 . 16913 1 628 . 1 1 58 58 LEU HB3 H 1 1.71 0.02 . 2 . . . . 58 L HB3 . 16913 1 629 . 1 1 58 58 LEU HD11 H 1 0.74 0.02 . 1 . . . . 58 L QD1 . 16913 1 630 . 1 1 58 58 LEU HD12 H 1 0.74 0.02 . 1 . . . . 58 L QD1 . 16913 1 631 . 1 1 58 58 LEU HD13 H 1 0.74 0.02 . 1 . . . . 58 L QD1 . 16913 1 632 . 1 1 58 58 LEU HD21 H 1 0.95 0.02 . 1 . . . . 58 L QD2 . 16913 1 633 . 1 1 58 58 LEU HD22 H 1 0.95 0.02 . 1 . . . . 58 L QD2 . 16913 1 634 . 1 1 58 58 LEU HD23 H 1 0.95 0.02 . 1 . . . . 58 L QD2 . 16913 1 635 . 1 1 58 58 LEU HG H 1 1.56 0.02 . 1 . . . . 58 L HG . 16913 1 636 . 1 1 58 58 LEU C C 13 175.64 0.2 . 1 . . . . 58 L C . 16913 1 637 . 1 1 58 58 LEU CA C 13 53.1 0.2 . 1 . . . . 58 L CA . 16913 1 638 . 1 1 58 58 LEU CB C 13 46.18 0.2 . 1 . . . . 58 L CB . 16913 1 639 . 1 1 58 58 LEU CD1 C 13 26.41 0.2 . 2 . . . . 58 L CD1 . 16913 1 640 . 1 1 58 58 LEU CD2 C 13 24.53 0.2 . 2 . . . . 58 L CD2 . 16913 1 641 . 1 1 58 58 LEU CG C 13 26.24 0.2 . 1 . . . . 58 L CG . 16913 1 642 . 1 1 59 59 ILE H H 1 8.59 0.02 . 1 . . . . 59 I HN . 16913 1 643 . 1 1 59 59 ILE HA H 1 5.16 0.02 . 1 . . . . 59 I HA . 16913 1 644 . 1 1 59 59 ILE HB H 1 1.88 0.02 . 1 . . . . 59 I HB . 16913 1 645 . 1 1 59 59 ILE HD11 H 1 0.7 0.02 . 1 . . . . 59 I QD1 . 16913 1 646 . 1 1 59 59 ILE HD12 H 1 0.7 0.02 . 1 . . . . 59 I QD1 . 16913 1 647 . 1 1 59 59 ILE HD13 H 1 0.7 0.02 . 1 . . . . 59 I QD1 . 16913 1 648 . 1 1 59 59 ILE HG12 H 1 1.02 0.02 . 2 . . . . 59 I HG12 . 16913 1 649 . 1 1 59 59 ILE HG13 H 1 1.3 0.02 . 2 . . . . 59 I HG13 . 16913 1 650 . 1 1 59 59 ILE HG21 H 1 0.81 0.02 . 1 . . . . 59 I QG2 . 16913 1 651 . 1 1 59 59 ILE HG22 H 1 0.81 0.02 . 1 . . . . 59 I QG2 . 16913 1 652 . 1 1 59 59 ILE HG23 H 1 0.81 0.02 . 1 . . . . 59 I QG2 . 16913 1 653 . 1 1 59 59 ILE C C 13 175.48 0.2 . 1 . . . . 59 I C . 16913 1 654 . 1 1 59 59 ILE CA C 13 58.5 0.2 . 1 . . . . 59 I CA . 16913 1 655 . 1 1 59 59 ILE CB C 13 36.51 0.2 . 1 . . . . 59 I CB . 16913 1 656 . 1 1 59 59 ILE CD1 C 13 10.09 0.2 . 1 . . . . 59 I CD1 . 16913 1 657 . 1 1 59 59 ILE CG1 C 13 26.94 0.2 . 1 . . . . 59 I CG1 . 16913 1 658 . 1 1 59 59 ILE CG2 C 13 17.73 0.2 . 1 . . . . 59 I CG2 . 16913 1 659 . 1 1 60 60 LEU H H 1 9.45 0.02 . 1 . . . . 60 L HN . 16913 1 660 . 1 1 60 60 LEU HA H 1 5.21 0.02 . 1 . . . . 60 L HA . 16913 1 661 . 1 1 60 60 LEU HB2 H 1 1.49 0.02 . 2 . . . . 60 L HB2 . 16913 1 662 . 1 1 60 60 LEU HB3 H 1 1.8 0.02 . 2 . . . . 60 L HB3 . 16913 1 663 . 1 1 60 60 LEU HD11 H 1 0.79 0.02 . 1 . . . . 60 L QD1 . 16913 1 664 . 1 1 60 60 LEU HD12 H 1 0.79 0.02 . 1 . . . . 60 L QD1 . 16913 1 665 . 1 1 60 60 LEU HD13 H 1 0.79 0.02 . 1 . . . . 60 L QD1 . 16913 1 666 . 1 1 60 60 LEU HD21 H 1 0.86 0.02 . 1 . . . . 60 L QD2 . 16913 1 667 . 1 1 60 60 LEU HD22 H 1 0.86 0.02 . 1 . . . . 60 L QD2 . 16913 1 668 . 1 1 60 60 LEU HD23 H 1 0.86 0.02 . 1 . . . . 60 L QD2 . 16913 1 669 . 1 1 60 60 LEU HG H 1 1.72 0.02 . 1 . . . . 60 L HG . 16913 1 670 . 1 1 60 60 LEU C C 13 175.41 0.2 . 1 . . . . 60 L C . 16913 1 671 . 1 1 60 60 LEU CA C 13 53.09 0.2 . 1 . . . . 60 L CA . 16913 1 672 . 1 1 60 60 LEU CB C 13 45.71 0.2 . 1 . . . . 60 L CB . 16913 1 673 . 1 1 60 60 LEU CD1 C 13 26.45 0.2 . 2 . . . . 60 L CD1 . 16913 1 674 . 1 1 60 60 LEU CD2 C 13 27.31 0.2 . 2 . . . . 60 L CD2 . 16913 1 675 . 1 1 60 60 LEU CG C 13 26.49 0.2 . 1 . . . . 60 L CG . 16913 1 676 . 1 1 61 61 SER H H 1 8.88 0.02 . 1 . . . . 61 S HN . 16913 1 677 . 1 1 61 61 SER HA H 1 5.54 0.02 . 1 . . . . 61 S HA . 16913 1 678 . 1 1 61 61 SER HB2 H 1 3.59 0.02 . 2 . . . . 61 S QB . 16913 1 679 . 1 1 61 61 SER HB3 H 1 3.59 0.02 . 2 . . . . 61 S QB . 16913 1 680 . 1 1 61 61 SER C C 13 174.08 0.2 . 1 . . . . 61 S C . 16913 1 681 . 1 1 61 61 SER CA C 13 56.99 0.2 . 1 . . . . 61 S CA . 16913 1 682 . 1 1 61 61 SER CB C 13 64.98 0.2 . 1 . . . . 61 S CB . 16913 1 683 . 1 1 62 62 ALA H H 1 9.55 0.02 . 1 . . . . 62 A HN . 16913 1 684 . 1 1 62 62 ALA HA H 1 5.3 0.02 . 1 . . . . 62 A HA . 16913 1 685 . 1 1 62 62 ALA HB1 H 1 1.22 0.02 . 1 . . . . 62 A QB . 16913 1 686 . 1 1 62 62 ALA HB2 H 1 1.22 0.02 . 1 . . . . 62 A QB . 16913 1 687 . 1 1 62 62 ALA HB3 H 1 1.22 0.02 . 1 . . . . 62 A QB . 16913 1 688 . 1 1 62 62 ALA C C 13 175.41 0.2 . 1 . . . . 62 A C . 16913 1 689 . 1 1 62 62 ALA CA C 13 51.53 0.2 . 1 . . . . 62 A CA . 16913 1 690 . 1 1 62 62 ALA CB C 13 23.93 0.2 . 1 . . . . 62 A CB . 16913 1 691 . 1 1 63 63 LYS H H 1 8.75 0.02 . 1 . . . . 63 K HN . 16913 1 692 . 1 1 63 63 LYS HA H 1 4.96 0.02 . 1 . . . . 63 K HA . 16913 1 693 . 1 1 63 63 LYS HB2 H 1 1.6 0.02 . 2 . . . . 63 K HB2 . 16913 1 694 . 1 1 63 63 LYS HB3 H 1 1.84 0.02 . 2 . . . . 63 K HB3 . 16913 1 695 . 1 1 63 63 LYS HD2 H 1 1.62 0.02 . 2 . . . . 63 K HD2 . 16913 1 696 . 1 1 63 63 LYS HD3 H 1 1.7 0.02 . 2 . . . . 63 K HD3 . 16913 1 697 . 1 1 63 63 LYS HE2 H 1 2.81 0.02 . 2 . . . . 63 K QE . 16913 1 698 . 1 1 63 63 LYS HE3 H 1 2.81 0.02 . 2 . . . . 63 K QE . 16913 1 699 . 1 1 63 63 LYS HG2 H 1 1.08 0.02 . 2 . . . . 63 K QG . 16913 1 700 . 1 1 63 63 LYS HG3 H 1 1.08 0.02 . 2 . . . . 63 K QG . 16913 1 701 . 1 1 63 63 LYS C C 13 175.26 0.2 . 1 . . . . 63 K C . 16913 1 702 . 1 1 63 63 LYS CA C 13 54.61 0.2 . 1 . . . . 63 K CA . 16913 1 703 . 1 1 63 63 LYS CB C 13 36.94 0.2 . 1 . . . . 63 K CB . 16913 1 704 . 1 1 63 63 LYS CD C 13 29.84 0.2 . 1 . . . . 63 K CD . 16913 1 705 . 1 1 63 63 LYS CE C 13 42.76 0.2 . 1 . . . . 63 K CE . 16913 1 706 . 1 1 63 63 LYS CG C 13 24.75 0.2 . 1 . . . . 63 K CG . 16913 1 707 . 1 1 64 64 HIS H H 1 8.94 0.02 . 1 . . . . 64 H HN . 16913 1 708 . 1 1 64 64 HIS HA H 1 5.04 0.02 . 1 . . . . 64 H HA . 16913 1 709 . 1 1 64 64 HIS HB2 H 1 3.27 0.02 . 2 . . . . 64 H HB2 . 16913 1 710 . 1 1 64 64 HIS HB3 H 1 3.4 0.02 . 2 . . . . 64 H HB3 . 16913 1 711 . 1 1 64 64 HIS HD2 H 1 7.44 0.02 . 1 . . . . 64 H HD2 . 16913 1 712 . 1 1 64 64 HIS HE1 H 1 8.64 0.02 . 1 . . . . 64 H HE1 . 16913 1 713 . 1 1 64 64 HIS C C 13 173.68 0.2 . 1 . . . . 64 H C . 16913 1 714 . 1 1 64 64 HIS CA C 13 56.71 0.2 . 1 . . . . 64 H CA . 16913 1 715 . 1 1 64 64 HIS CB C 13 29.34 0.2 . 1 . . . . 64 H CB . 16913 1 716 . 1 1 64 64 HIS CD2 C 13 120.77 0.2 . 1 . . . . 64 H CD2 . 16913 1 717 . 1 1 64 64 HIS CE1 C 13 137.08 0.2 . 1 . . . . 64 H CE1 . 16913 1 718 . 1 1 65 65 SER H H 1 7.47 0.02 . 1 . . . . 65 S HN . 16913 1 719 . 1 1 65 65 SER HA H 1 4.72 0.02 . 1 . . . . 65 S HA . 16913 1 720 . 1 1 65 65 SER HB2 H 1 3.66 0.02 . 2 . . . . 65 S HB2 . 16913 1 721 . 1 1 65 65 SER HB3 H 1 3.92 0.02 . 2 . . . . 65 S HB3 . 16913 1 722 . 1 1 65 65 SER CA C 13 56.22 0.2 . 1 . . . . 65 S CA . 16913 1 723 . 1 1 65 65 SER CB C 13 64.25 0.2 . 1 . . . . 65 S CB . 16913 1 724 . 1 1 66 66 PRO HA H 1 4.07 0.02 . 1 . . . . 66 P HA . 16913 1 725 . 1 1 66 66 PRO HB2 H 1 1.48 0.02 . 2 . . . . 66 P HB2 . 16913 1 726 . 1 1 66 66 PRO HB3 H 1 2.27 0.02 . 2 . . . . 66 P HB3 . 16913 1 727 . 1 1 66 66 PRO HD2 H 1 3.68 0.02 . 2 . . . . 66 P QD . 16913 1 728 . 1 1 66 66 PRO HD3 H 1 3.68 0.02 . 2 . . . . 66 P QD . 16913 1 729 . 1 1 66 66 PRO HG2 H 1 1.86 0.02 . 2 . . . . 66 P HG2 . 16913 1 730 . 1 1 66 66 PRO HG3 H 1 1.89 0.02 . 2 . . . . 66 P HG3 . 16913 1 731 . 1 1 66 66 PRO C C 13 177.29 0.2 . 1 . . . . 66 P C . 16913 1 732 . 1 1 66 66 PRO CA C 13 65.82 0.2 . 1 . . . . 66 P CA . 16913 1 733 . 1 1 66 66 PRO CB C 13 32.68 0.2 . 1 . . . . 66 P CB . 16913 1 734 . 1 1 66 66 PRO CD C 13 51.15 0.2 . 1 . . . . 66 P CD . 16913 1 735 . 1 1 66 66 PRO CG C 13 27.72 0.2 . 1 . . . . 66 P CG . 16913 1 736 . 1 1 67 67 HIS H H 1 8.06 0.02 . 1 . . . . 67 H HN . 16913 1 737 . 1 1 67 67 HIS HA H 1 4.79 0.02 . 1 . . . . 67 H HA . 16913 1 738 . 1 1 67 67 HIS HB2 H 1 3.12 0.02 . 2 . . . . 67 H HB2 . 16913 1 739 . 1 1 67 67 HIS HB3 H 1 3.37 0.02 . 2 . . . . 67 H HB3 . 16913 1 740 . 1 1 67 67 HIS HD2 H 1 7.25 0.02 . 1 . . . . 67 H HD2 . 16913 1 741 . 1 1 67 67 HIS HE1 H 1 8.78 0.02 . 1 . . . . 67 H HE1 . 16913 1 742 . 1 1 67 67 HIS C C 13 174.27 0.2 . 1 . . . . 67 H C . 16913 1 743 . 1 1 67 67 HIS CA C 13 54.81 0.2 . 1 . . . . 67 H CA . 16913 1 744 . 1 1 67 67 HIS CB C 13 28.45 0.2 . 1 . . . . 67 H CB . 16913 1 745 . 1 1 67 67 HIS CD2 C 13 120.02 0.2 . 1 . . . . 67 H CD2 . 16913 1 746 . 1 1 67 67 HIS CE1 C 13 136.61 0.2 . 1 . . . . 67 H CE1 . 16913 1 747 . 1 1 68 68 GLU H H 1 7.14 0.02 . 1 . . . . 68 E HN . 16913 1 748 . 1 1 68 68 GLU HA H 1 4.37 0.02 . 1 . . . . 68 E HA . 16913 1 749 . 1 1 68 68 GLU HB2 H 1 1.97 0.02 . 2 . . . . 68 E HB2 . 16913 1 750 . 1 1 68 68 GLU HB3 H 1 2.15 0.02 . 2 . . . . 68 E HB3 . 16913 1 751 . 1 1 68 68 GLU HG2 H 1 2.3 0.02 . 2 . . . . 68 E HG2 . 16913 1 752 . 1 1 68 68 GLU HG3 H 1 2.49 0.02 . 2 . . . . 68 E HG3 . 16913 1 753 . 1 1 68 68 GLU C C 13 175.69 0.2 . 1 . . . . 68 E C . 16913 1 754 . 1 1 68 68 GLU CA C 13 55.13 0.2 . 1 . . . . 68 E CA . 16913 1 755 . 1 1 68 68 GLU CB C 13 32.17 0.2 . 1 . . . . 68 E CB . 16913 1 756 . 1 1 68 68 GLU CG C 13 35.53 0.2 . 1 . . . . 68 E CG . 16913 1 757 . 1 1 69 69 PHE H H 1 7.98 0.02 . 1 . . . . 69 F HN . 16913 1 758 . 1 1 69 69 PHE HA H 1 4.67 0.02 . 1 . . . . 69 F HA . 16913 1 759 . 1 1 69 69 PHE HB2 H 1 2.91 0.02 . 2 . . . . 69 F HB2 . 16913 1 760 . 1 1 69 69 PHE HB3 H 1 3.16 0.02 . 2 . . . . 69 F HB3 . 16913 1 761 . 1 1 69 69 PHE HD1 H 1 7.38 0.02 . 3 . . . . 69 F QD . 16913 1 762 . 1 1 69 69 PHE HD2 H 1 7.38 0.02 . 3 . . . . 69 F QD . 16913 1 763 . 1 1 69 69 PHE HE1 H 1 7.34 0.02 . 3 . . . . 69 F QE . 16913 1 764 . 1 1 69 69 PHE HE2 H 1 7.34 0.02 . 3 . . . . 69 F QE . 16913 1 765 . 1 1 69 69 PHE C C 13 176.71 0.2 . 1 . . . . 69 F C . 16913 1 766 . 1 1 69 69 PHE CA C 13 57.33 0.2 . 1 . . . . 69 F CA . 16913 1 767 . 1 1 69 69 PHE CB C 13 39.36 0.2 . 1 . . . . 69 F CB . 16913 1 768 . 1 1 69 69 PHE CD1 C 13 131.57 0.2 . 3 . . . . 69 F CD1 . 16913 1 769 . 1 1 69 69 PHE CD2 C 13 131.57 0.2 . 3 . . . . 69 F CD2 . 16913 1 770 . 1 1 69 69 PHE CE1 C 13 131.57 0.2 . 3 . . . . 69 F CE1 . 16913 1 771 . 1 1 69 69 PHE CE2 C 13 131.57 0.2 . 3 . . . . 69 F CE2 . 16913 1 772 . 1 1 70 70 SER H H 1 8.36 0.02 . 1 . . . . 70 S HN . 16913 1 773 . 1 1 70 70 SER HA H 1 4.21 0.02 . 1 . . . . 70 S HA . 16913 1 774 . 1 1 70 70 SER HB2 H 1 3.43 0.02 . 2 . . . . 70 S HB2 . 16913 1 775 . 1 1 70 70 SER HB3 H 1 3.56 0.02 . 2 . . . . 70 S HB3 . 16913 1 776 . 1 1 70 70 SER C C 13 172.47 0.2 . 1 . . . . 70 S C . 16913 1 777 . 1 1 70 70 SER CA C 13 59.02 0.2 . 1 . . . . 70 S CA . 16913 1 778 . 1 1 70 70 SER CB C 13 64.78 0.2 . 1 . . . . 70 S CB . 16913 1 779 . 1 1 71 71 LYS H H 1 8.16 0.02 . 1 . . . . 71 K HN . 16913 1 780 . 1 1 71 71 LYS HA H 1 4.18 0.02 . 1 . . . . 71 K HA . 16913 1 781 . 1 1 71 71 LYS HB2 H 1 1.25 0.02 . 2 . . . . 71 K HB2 . 16913 1 782 . 1 1 71 71 LYS HB3 H 1 1.45 0.02 . 2 . . . . 71 K HB3 . 16913 1 783 . 1 1 71 71 LYS HD2 H 1 0.72 0.02 . 2 . . . . 71 K QD . 16913 1 784 . 1 1 71 71 LYS HD3 H 1 0.72 0.02 . 2 . . . . 71 K QD . 16913 1 785 . 1 1 71 71 LYS HE2 H 1 2.4 0.02 . 2 . . . . 71 K HE2 . 16913 1 786 . 1 1 71 71 LYS HE3 H 1 2.44 0.02 . 2 . . . . 71 K HE3 . 16913 1 787 . 1 1 71 71 LYS HG2 H 1 0.96 0.02 . 2 . . . . 71 K QG . 16913 1 788 . 1 1 71 71 LYS HG3 H 1 0.96 0.02 . 2 . . . . 71 K QG . 16913 1 789 . 1 1 71 71 LYS C C 13 174.98 0.2 . 1 . . . . 71 K C . 16913 1 790 . 1 1 71 71 LYS CA C 13 54.53 0.2 . 1 . . . . 71 K CA . 16913 1 791 . 1 1 71 71 LYS CB C 13 36.2 0.2 . 1 . . . . 71 K CB . 16913 1 792 . 1 1 71 71 LYS CD C 13 28.4 0.2 . 1 . . . . 71 K CD . 16913 1 793 . 1 1 71 71 LYS CE C 13 42.46 0.2 . 1 . . . . 71 K CE . 16913 1 794 . 1 1 71 71 LYS CG C 13 24.8 0.2 . 1 . . . . 71 K CG . 16913 1 795 . 1 1 72 72 PHE H H 1 8.29 0.02 . 1 . . . . 72 F HN . 16913 1 796 . 1 1 72 72 PHE HA H 1 5.6 0.02 . 1 . . . . 72 F HA . 16913 1 797 . 1 1 72 72 PHE HB2 H 1 2.72 0.02 . 2 . . . . 72 F QB . 16913 1 798 . 1 1 72 72 PHE HB3 H 1 2.72 0.02 . 2 . . . . 72 F QB . 16913 1 799 . 1 1 72 72 PHE HD1 H 1 7.07 0.02 . 3 . . . . 72 F QD . 16913 1 800 . 1 1 72 72 PHE HD2 H 1 7.07 0.02 . 3 . . . . 72 F QD . 16913 1 801 . 1 1 72 72 PHE HE1 H 1 7.01 0.02 . 3 . . . . 72 F QE . 16913 1 802 . 1 1 72 72 PHE HE2 H 1 7.01 0.02 . 3 . . . . 72 F QE . 16913 1 803 . 1 1 72 72 PHE C C 13 175.29 0.2 . 1 . . . . 72 F C . 16913 1 804 . 1 1 72 72 PHE CA C 13 57.38 0.2 . 1 . . . . 72 F CA . 16913 1 805 . 1 1 72 72 PHE CB C 13 42.83 0.2 . 1 . . . . 72 F CB . 16913 1 806 . 1 1 72 72 PHE CD1 C 13 132.39 0.2 . 3 . . . . 72 F CD1 . 16913 1 807 . 1 1 72 72 PHE CD2 C 13 132.39 0.2 . 3 . . . . 72 F CD2 . 16913 1 808 . 1 1 72 72 PHE CE1 C 13 131.3 0.2 . 3 . . . . 72 F CE1 . 16913 1 809 . 1 1 72 72 PHE CE2 C 13 131.3 0.2 . 3 . . . . 72 F CE2 . 16913 1 810 . 1 1 73 73 TYR H H 1 9.02 0.02 . 1 . . . . 73 Y HN . 16913 1 811 . 1 1 73 73 TYR HA H 1 4.64 0.02 . 1 . . . . 73 Y HA . 16913 1 812 . 1 1 73 73 TYR HB2 H 1 1.9 0.02 . 2 . . . . 73 Y HB2 . 16913 1 813 . 1 1 73 73 TYR HB3 H 1 2.16 0.02 . 2 . . . . 73 Y HB3 . 16913 1 814 . 1 1 73 73 TYR HD1 H 1 6.54 0.02 . 3 . . . . 73 Y QD . 16913 1 815 . 1 1 73 73 TYR HD2 H 1 6.54 0.02 . 3 . . . . 73 Y QD . 16913 1 816 . 1 1 73 73 TYR HE1 H 1 6.69 0.02 . 3 . . . . 73 Y QE . 16913 1 817 . 1 1 73 73 TYR HE2 H 1 6.69 0.02 . 3 . . . . 73 Y QE . 16913 1 818 . 1 1 73 73 TYR C C 13 174.54 0.2 . 1 . . . . 73 Y C . 16913 1 819 . 1 1 73 73 TYR CA C 13 57.03 0.2 . 1 . . . . 73 Y CA . 16913 1 820 . 1 1 73 73 TYR CB C 13 42.57 0.2 . 1 . . . . 73 Y CB . 16913 1 821 . 1 1 73 73 TYR CD1 C 13 133.98 0.2 . 3 . . . . 73 Y CD1 . 16913 1 822 . 1 1 73 73 TYR CD2 C 13 133.98 0.2 . 3 . . . . 73 Y CD2 . 16913 1 823 . 1 1 73 73 TYR CE1 C 13 117.76 0.2 . 3 . . . . 73 Y CE1 . 16913 1 824 . 1 1 73 73 TYR CE2 C 13 117.76 0.2 . 3 . . . . 73 Y CE2 . 16913 1 825 . 1 1 74 74 ASN H H 1 9.08 0.02 . 1 . . . . 74 N HN . 16913 1 826 . 1 1 74 74 ASN HA H 1 5.49 0.02 . 1 . . . . 74 N HA . 16913 1 827 . 1 1 74 74 ASN HB2 H 1 2.18 0.02 . 2 . . . . 74 N HB2 . 16913 1 828 . 1 1 74 74 ASN HB3 H 1 2.39 0.02 . 2 . . . . 74 N HB3 . 16913 1 829 . 1 1 74 74 ASN C C 13 174.03 0.2 . 1 . . . . 74 N C . 16913 1 830 . 1 1 74 74 ASN CA C 13 52.35 0.2 . 1 . . . . 74 N CA . 16913 1 831 . 1 1 74 74 ASN CB C 13 42.72 0.2 . 1 . . . . 74 N CB . 16913 1 832 . 1 1 75 75 VAL H H 1 8.89 0.02 . 1 . . . . 75 V HN . 16913 1 833 . 1 1 75 75 VAL HA H 1 5.11 0.02 . 1 . . . . 75 V HA . 16913 1 834 . 1 1 75 75 VAL HB H 1 2.02 0.02 . 1 . . . . 75 V HB . 16913 1 835 . 1 1 75 75 VAL HG11 H 1 0.7 0.02 . 1 . . . . 75 V QG1 . 16913 1 836 . 1 1 75 75 VAL HG12 H 1 0.7 0.02 . 1 . . . . 75 V QG1 . 16913 1 837 . 1 1 75 75 VAL HG13 H 1 0.7 0.02 . 1 . . . . 75 V QG1 . 16913 1 838 . 1 1 75 75 VAL HG21 H 1 0.73 0.02 . 1 . . . . 75 V QG2 . 16913 1 839 . 1 1 75 75 VAL HG22 H 1 0.73 0.02 . 1 . . . . 75 V QG2 . 16913 1 840 . 1 1 75 75 VAL HG23 H 1 0.73 0.02 . 1 . . . . 75 V QG2 . 16913 1 841 . 1 1 75 75 VAL C C 13 174.54 0.2 . 1 . . . . 75 V C . 16913 1 842 . 1 1 75 75 VAL CA C 13 58.84 0.2 . 1 . . . . 75 V CA . 16913 1 843 . 1 1 75 75 VAL CB C 13 35.24 0.2 . 1 . . . . 75 V CB . 16913 1 844 . 1 1 75 75 VAL CG1 C 13 22.52 0.2 . 2 . . . . 75 V CG1 . 16913 1 845 . 1 1 75 75 VAL CG2 C 13 20.63 0.2 . 2 . . . . 75 V CG2 . 16913 1 846 . 1 1 76 76 VAL H H 1 8.6 0.02 . 1 . . . . 76 V HN . 16913 1 847 . 1 1 76 76 VAL HA H 1 5.51 0.02 . 1 . . . . 76 V HA . 16913 1 848 . 1 1 76 76 VAL HB H 1 1.89 0.02 . 1 . . . . 76 V HB . 16913 1 849 . 1 1 76 76 VAL HG11 H 1 0.89 0.02 . 1 . . . . 76 V QG1 . 16913 1 850 . 1 1 76 76 VAL HG12 H 1 0.89 0.02 . 1 . . . . 76 V QG1 . 16913 1 851 . 1 1 76 76 VAL HG13 H 1 0.89 0.02 . 1 . . . . 76 V QG1 . 16913 1 852 . 1 1 76 76 VAL HG21 H 1 0.92 0.02 . 1 . . . . 76 V QG2 . 16913 1 853 . 1 1 76 76 VAL HG22 H 1 0.92 0.02 . 1 . . . . 76 V QG2 . 16913 1 854 . 1 1 76 76 VAL HG23 H 1 0.92 0.02 . 1 . . . . 76 V QG2 . 16913 1 855 . 1 1 76 76 VAL C C 13 175.89 0.2 . 1 . . . . 76 V C . 16913 1 856 . 1 1 76 76 VAL CA C 13 61.11 0.2 . 1 . . . . 76 V CA . 16913 1 857 . 1 1 76 76 VAL CB C 13 34.19 0.2 . 1 . . . . 76 V CB . 16913 1 858 . 1 1 76 76 VAL CG1 C 13 22.32 0.2 . 2 . . . . 76 V CG1 . 16913 1 859 . 1 1 76 76 VAL CG2 C 13 21.84 0.2 . 2 . . . . 76 V CG2 . 16913 1 860 . 1 1 77 77 VAL H H 1 9.34 0.02 . 1 . . . . 77 V HN . 16913 1 861 . 1 1 77 77 VAL HA H 1 4.91 0.02 . 1 . . . . 77 V HA . 16913 1 862 . 1 1 77 77 VAL HB H 1 1.87 0.02 . 1 . . . . 77 V HB . 16913 1 863 . 1 1 77 77 VAL HG11 H 1 0.93 0.02 . 1 . . . . 77 V QG1 . 16913 1 864 . 1 1 77 77 VAL HG12 H 1 0.93 0.02 . 1 . . . . 77 V QG1 . 16913 1 865 . 1 1 77 77 VAL HG13 H 1 0.93 0.02 . 1 . . . . 77 V QG1 . 16913 1 866 . 1 1 77 77 VAL HG21 H 1 1.085 0.02 . 1 . . . . 77 V QG2 . 16913 1 867 . 1 1 77 77 VAL HG22 H 1 1.085 0.02 . 1 . . . . 77 V QG2 . 16913 1 868 . 1 1 77 77 VAL HG23 H 1 1.085 0.02 . 1 . . . . 77 V QG2 . 16913 1 869 . 1 1 77 77 VAL C C 13 173.59 0.2 . 1 . . . . 77 V C . 16913 1 870 . 1 1 77 77 VAL CA C 13 60.95 0.2 . 1 . . . . 77 V CA . 16913 1 871 . 1 1 77 77 VAL CB C 13 36.6 0.2 . 1 . . . . 77 V CB . 16913 1 872 . 1 1 77 77 VAL CG1 C 13 22.8 0.2 . 2 . . . . 77 V CG1 . 16913 1 873 . 1 1 77 77 VAL CG2 C 13 22.12 0.2 . 2 . . . . 77 V CG2 . 16913 1 874 . 1 1 78 78 LEU H H 1 9.31 0.02 . 1 . . . . 78 L HN . 16913 1 875 . 1 1 78 78 LEU HA H 1 4.49 0.02 . 1 . . . . 78 L HA . 16913 1 876 . 1 1 78 78 LEU HB2 H 1 1.13 0.02 . 2 . . . . 78 L HB2 . 16913 1 877 . 1 1 78 78 LEU HB3 H 1 1.6 0.02 . 2 . . . . 78 L HB3 . 16913 1 878 . 1 1 78 78 LEU HD11 H 1 0.13 0.02 . 1 . . . . 78 L QD1 . 16913 1 879 . 1 1 78 78 LEU HD12 H 1 0.13 0.02 . 1 . . . . 78 L QD1 . 16913 1 880 . 1 1 78 78 LEU HD13 H 1 0.13 0.02 . 1 . . . . 78 L QD1 . 16913 1 881 . 1 1 78 78 LEU HD21 H 1 1.03 0.02 . 1 . . . . 78 L QD2 . 16913 1 882 . 1 1 78 78 LEU HD22 H 1 1.03 0.02 . 1 . . . . 78 L QD2 . 16913 1 883 . 1 1 78 78 LEU HD23 H 1 1.03 0.02 . 1 . . . . 78 L QD2 . 16913 1 884 . 1 1 78 78 LEU HG H 1 0.65 0.02 . 1 . . . . 78 L HG . 16913 1 885 . 1 1 78 78 LEU C C 13 174.06 0.2 . 1 . . . . 78 L C . 16913 1 886 . 1 1 78 78 LEU CA C 13 54.33 0.2 . 1 . . . . 78 L CA . 16913 1 887 . 1 1 78 78 LEU CB C 13 44.54 0.2 . 1 . . . . 78 L CB . 16913 1 888 . 1 1 78 78 LEU CD1 C 13 22.81 0.2 . 2 . . . . 78 L CD1 . 16913 1 889 . 1 1 78 78 LEU CD2 C 13 27.33 0.2 . 2 . . . . 78 L CD2 . 16913 1 890 . 1 1 78 78 LEU CG C 13 26 0.2 . 1 . . . . 78 L CG . 16913 1 891 . 1 1 79 79 GLU H H 1 9.24 0.02 . 1 . . . . 79 E HN . 16913 1 892 . 1 1 79 79 GLU HA H 1 5.1 0.02 . 1 . . . . 79 E HA . 16913 1 893 . 1 1 79 79 GLU HB2 H 1 1.52 0.02 . 2 . . . . 79 E HB2 . 16913 1 894 . 1 1 79 79 GLU HB3 H 1 2.45 0.02 . 2 . . . . 79 E HB3 . 16913 1 895 . 1 1 79 79 GLU HG2 H 1 2.06 0.02 . 2 . . . . 79 E QG . 16913 1 896 . 1 1 79 79 GLU HG3 H 1 2.06 0.02 . 2 . . . . 79 E QG . 16913 1 897 . 1 1 79 79 GLU C C 13 174.87 0.2 . 1 . . . . 79 E C . 16913 1 898 . 1 1 79 79 GLU CA C 13 54.08 0.2 . 1 . . . . 79 E CA . 16913 1 899 . 1 1 79 79 GLU CB C 13 32.06 0.2 . 1 . . . . 79 E CB . 16913 1 900 . 1 1 79 79 GLU CG C 13 33.87 0.2 . 1 . . . . 79 E CG . 16913 1 901 . 1 1 80 80 LYS H H 1 8.63 0.02 . 1 . . . . 80 K HN . 16913 1 902 . 1 1 80 80 LYS HA H 1 4.28 0.02 . 1 . . . . 80 K HA . 16913 1 903 . 1 1 80 80 LYS HB2 H 1 1.76 0.02 . 2 . . . . 80 K HB2 . 16913 1 904 . 1 1 80 80 LYS HB3 H 1 1.9 0.02 . 2 . . . . 80 K HB3 . 16913 1 905 . 1 1 80 80 LYS HD2 H 1 1.65 0.02 . 2 . . . . 80 K QD . 16913 1 906 . 1 1 80 80 LYS HD3 H 1 1.65 0.02 . 2 . . . . 80 K QD . 16913 1 907 . 1 1 80 80 LYS HE2 H 1 2.89 0.02 . 2 . . . . 80 K QE . 16913 1 908 . 1 1 80 80 LYS HE3 H 1 2.89 0.02 . 2 . . . . 80 K QE . 16913 1 909 . 1 1 80 80 LYS HG2 H 1 1.41 0.02 . 2 . . . . 80 K HG2 . 16913 1 910 . 1 1 80 80 LYS HG3 H 1 1.49 0.02 . 2 . . . . 80 K HG3 . 16913 1 911 . 1 1 80 80 LYS C C 13 177.52 0.2 . 1 . . . . 80 K C . 16913 1 912 . 1 1 80 80 LYS CA C 13 56.65 0.2 . 1 . . . . 80 K CA . 16913 1 913 . 1 1 80 80 LYS CB C 13 32.93 0.2 . 1 . . . . 80 K CB . 16913 1 914 . 1 1 80 80 LYS CD C 13 29.47 0.2 . 1 . . . . 80 K CD . 16913 1 915 . 1 1 80 80 LYS CE C 13 42.08 0.2 . 1 . . . . 80 K CE . 16913 1 916 . 1 1 80 80 LYS CG C 13 25.44 0.2 . 1 . . . . 80 K CG . 16913 1 917 . 1 1 81 81 ALA H H 1 9.11 0.02 . 1 . . . . 81 A HN . 16913 1 918 . 1 1 81 81 ALA HA H 1 4.18 0.02 . 1 . . . . 81 A HA . 16913 1 919 . 1 1 81 81 ALA HB1 H 1 1.49 0.02 . 1 . . . . 81 A QB . 16913 1 920 . 1 1 81 81 ALA HB2 H 1 1.49 0.02 . 1 . . . . 81 A QB . 16913 1 921 . 1 1 81 81 ALA HB3 H 1 1.49 0.02 . 1 . . . . 81 A QB . 16913 1 922 . 1 1 81 81 ALA C C 13 176.31 0.2 . 1 . . . . 81 A C . 16913 1 923 . 1 1 81 81 ALA CA C 13 54.71 0.2 . 1 . . . . 81 A CA . 16913 1 924 . 1 1 81 81 ALA CB C 13 19.02 0.2 . 1 . . . . 81 A CB . 16913 1 925 . 1 1 82 82 SER H H 1 8.12 0.02 . 1 . . . . 82 S HN . 16913 1 926 . 1 1 82 82 SER HA H 1 4.09 0.02 . 1 . . . . 82 S HA . 16913 1 927 . 1 1 82 82 SER HB2 H 1 3.75 0.02 . 2 . . . . 82 S HB2 . 16913 1 928 . 1 1 82 82 SER HB3 H 1 3.82 0.02 . 2 . . . . 82 S HB3 . 16913 1 929 . 1 1 82 82 SER C C 13 176.12 0.2 . 1 . . . . 82 S C . 16913 1 930 . 1 1 82 82 SER CA C 13 60.45 0.2 . 1 . . . . 82 S CA . 16913 1 931 . 1 1 82 82 SER CB C 13 62.64 0.2 . 1 . . . . 82 S CB . 16913 1 932 . 1 1 83 83 ASP H H 1 7.19 0.02 . 1 . . . . 83 D HN . 16913 1 933 . 1 1 83 83 ASP HA H 1 4.7 0.02 . 1 . . . . 83 D HA . 16913 1 934 . 1 1 83 83 ASP HB2 H 1 2.6 0.02 . 2 . . . . 83 D HB2 . 16913 1 935 . 1 1 83 83 ASP HB3 H 1 3.03 0.02 . 2 . . . . 83 D HB3 . 16913 1 936 . 1 1 83 83 ASP C C 13 175.71 0.2 . 1 . . . . 83 D C . 16913 1 937 . 1 1 83 83 ASP CA C 13 53.01 0.2 . 1 . . . . 83 D CA . 16913 1 938 . 1 1 83 83 ASP CB C 13 40.44 0.2 . 1 . . . . 83 D CB . 16913 1 939 . 1 1 84 84 ASN H H 1 8.16 0.02 . 1 . . . . 84 N HN . 16913 1 940 . 1 1 84 84 ASN HA H 1 4.46 0.02 . 1 . . . . 84 N HA . 16913 1 941 . 1 1 84 84 ASN HB2 H 1 2.83 0.02 . 2 . . . . 84 N HB2 . 16913 1 942 . 1 1 84 84 ASN HB3 H 1 2.98 0.02 . 2 . . . . 84 N HB3 . 16913 1 943 . 1 1 84 84 ASN C C 13 174.12 0.2 . 1 . . . . 84 N C . 16913 1 944 . 1 1 84 84 ASN CA C 13 55.13 0.2 . 1 . . . . 84 N CA . 16913 1 945 . 1 1 84 84 ASN CB C 13 37.99 0.2 . 1 . . . . 84 N CB . 16913 1 946 . 1 1 85 85 SER H H 1 7.92 0.02 . 1 . . . . 85 S HN . 16913 1 947 . 1 1 85 85 SER HA H 1 4.27 0.02 . 1 . . . . 85 S HA . 16913 1 948 . 1 1 85 85 SER HB2 H 1 3.76 0.02 . 2 . . . . 85 S QB . 16913 1 949 . 1 1 85 85 SER HB3 H 1 3.76 0.02 . 2 . . . . 85 S QB . 16913 1 950 . 1 1 85 85 SER C C 13 173.66 0.2 . 1 . . . . 85 S C . 16913 1 951 . 1 1 85 85 SER CA C 13 64.74 0.2 . 1 . . . . 85 S CA . 16913 1 952 . 1 1 85 85 SER CB C 13 58.81 0.2 . 1 . . . . 85 S CB . 16913 1 953 . 1 1 86 86 LEU H H 1 7.75 0.02 . 1 . . . . 86 L HN . 16913 1 954 . 1 1 86 86 LEU HA H 1 5.22 0.02 . 1 . . . . 86 L HA . 16913 1 955 . 1 1 86 86 LEU HB2 H 1 0.04 0.02 . 2 . . . . 86 L HB2 . 16913 1 956 . 1 1 86 86 LEU HB3 H 1 0.46 0.02 . 2 . . . . 86 L HB3 . 16913 1 957 . 1 1 86 86 LEU HD11 H 1 0.42 0.02 . 1 . . . . 86 L QD1 . 16913 1 958 . 1 1 86 86 LEU HD12 H 1 0.42 0.02 . 1 . . . . 86 L QD1 . 16913 1 959 . 1 1 86 86 LEU HD13 H 1 0.42 0.02 . 1 . . . . 86 L QD1 . 16913 1 960 . 1 1 86 86 LEU HD21 H 1 1.32 0.02 . 1 . . . . 86 L QD2 . 16913 1 961 . 1 1 86 86 LEU HD22 H 1 1.32 0.02 . 1 . . . . 86 L QD2 . 16913 1 962 . 1 1 86 86 LEU HD23 H 1 1.32 0.02 . 1 . . . . 86 L QD2 . 16913 1 963 . 1 1 86 86 LEU HG H 1 0.25 0.02 . 1 . . . . 86 L HG . 16913 1 964 . 1 1 86 86 LEU C C 13 177.17 0.2 . 1 . . . . 86 L C . 16913 1 965 . 1 1 86 86 LEU CA C 13 53.41 0.2 . 1 . . . . 86 L CA . 16913 1 966 . 1 1 86 86 LEU CB C 13 44.2 0.2 . 1 . . . . 86 L CB . 16913 1 967 . 1 1 86 86 LEU CD1 C 13 23.33 0.2 . 2 . . . . 86 L CD1 . 16913 1 968 . 1 1 86 86 LEU CD2 C 13 26.17 0.2 . 2 . . . . 86 L CD2 . 16913 1 969 . 1 1 86 86 LEU CG C 13 26.27 0.2 . 1 . . . . 86 L CG . 16913 1 970 . 1 1 87 87 LYS H H 1 8.68 0.02 . 1 . . . . 87 K HN . 16913 1 971 . 1 1 87 87 LYS HA H 1 4.73 0.02 . 1 . . . . 87 K HA . 16913 1 972 . 1 1 87 87 LYS HB2 H 1 1.76 0.02 . 2 . . . . 87 K QB . 16913 1 973 . 1 1 87 87 LYS HB3 H 1 1.76 0.02 . 2 . . . . 87 K QB . 16913 1 974 . 1 1 87 87 LYS HD2 H 1 1.5 0.02 . 2 . . . . 87 K QD . 16913 1 975 . 1 1 87 87 LYS HD3 H 1 1.5 0.02 . 2 . . . . 87 K QD . 16913 1 976 . 1 1 87 87 LYS HE2 H 1 3.01 0.02 . 2 . . . . 87 K QE . 16913 1 977 . 1 1 87 87 LYS HE3 H 1 3.01 0.02 . 2 . . . . 87 K QE . 16913 1 978 . 1 1 87 87 LYS HG2 H 1 1.29 0.02 . 2 . . . . 87 K QG . 16913 1 979 . 1 1 87 87 LYS HG3 H 1 1.29 0.02 . 2 . . . . 87 K QG . 16913 1 980 . 1 1 87 87 LYS C C 13 175.55 0.2 . 1 . . . . 87 K C . 16913 1 981 . 1 1 87 87 LYS CA C 13 55.36 0.2 . 1 . . . . 87 K CA . 16913 1 982 . 1 1 87 87 LYS CB C 13 37.11 0.2 . 1 . . . . 87 K CB . 16913 1 983 . 1 1 87 87 LYS CD C 13 25.32 0.2 . 1 . . . . 87 K CD . 16913 1 984 . 1 1 87 87 LYS CE C 13 42.66 0.2 . 1 . . . . 87 K CE . 16913 1 985 . 1 1 87 87 LYS CG C 13 25.25 0.2 . 1 . . . . 87 K CG . 16913 1 986 . 1 1 88 88 LEU H H 1 9.66 0.02 . 1 . . . . 88 L HN . 16913 1 987 . 1 1 88 88 LEU HA H 1 4.69 0.02 . 1 . . . . 88 L HA . 16913 1 988 . 1 1 88 88 LEU HB2 H 1 1.25 0.02 . 2 . . . . 88 L HB2 . 16913 1 989 . 1 1 88 88 LEU HB3 H 1 2.2 0.02 . 2 . . . . 88 L HB3 . 16913 1 990 . 1 1 88 88 LEU HD11 H 1 1.03 0.02 . 1 . . . . 88 L QD1 . 16913 1 991 . 1 1 88 88 LEU HD12 H 1 1.03 0.02 . 1 . . . . 88 L QD1 . 16913 1 992 . 1 1 88 88 LEU HD13 H 1 1.03 0.02 . 1 . . . . 88 L QD1 . 16913 1 993 . 1 1 88 88 LEU HD21 H 1 1.2 0.02 . 1 . . . . 88 L QD2 . 16913 1 994 . 1 1 88 88 LEU HD22 H 1 1.2 0.02 . 1 . . . . 88 L QD2 . 16913 1 995 . 1 1 88 88 LEU HD23 H 1 1.2 0.02 . 1 . . . . 88 L QD2 . 16913 1 996 . 1 1 88 88 LEU HG H 1 1.6 0.02 . 1 . . . . 88 L HG . 16913 1 997 . 1 1 88 88 LEU C C 13 175.26 0.2 . 1 . . . . 88 L C . 16913 1 998 . 1 1 88 88 LEU CA C 13 56.03 0.2 . 1 . . . . 88 L CA . 16913 1 999 . 1 1 88 88 LEU CB C 13 42.91 0.2 . 1 . . . . 88 L CB . 16913 1 1000 . 1 1 88 88 LEU CD1 C 13 27 0.2 . 2 . . . . 88 L CD1 . 16913 1 1001 . 1 1 88 88 LEU CD2 C 13 24.91 0.2 . 2 . . . . 88 L CD2 . 16913 1 1002 . 1 1 88 88 LEU CG C 13 27.25 0.2 . 1 . . . . 88 L CG . 16913 1 1003 . 1 1 89 89 VAL H H 1 8.93 0.02 . 1 . . . . 89 V HN . 16913 1 1004 . 1 1 89 89 VAL HA H 1 4.23 0.02 . 1 . . . . 89 V HA . 16913 1 1005 . 1 1 89 89 VAL HB H 1 1.9 0.02 . 1 . . . . 89 V HB . 16913 1 1006 . 1 1 89 89 VAL HG11 H 1 1 0.02 . 1 . . . . 89 V QG1 . 16913 1 1007 . 1 1 89 89 VAL HG12 H 1 1 0.02 . 1 . . . . 89 V QG1 . 16913 1 1008 . 1 1 89 89 VAL HG13 H 1 1 0.02 . 1 . . . . 89 V QG1 . 16913 1 1009 . 1 1 89 89 VAL HG21 H 1 1.08 0.02 . 1 . . . . 89 V QG2 . 16913 1 1010 . 1 1 89 89 VAL HG22 H 1 1.08 0.02 . 1 . . . . 89 V QG2 . 16913 1 1011 . 1 1 89 89 VAL HG23 H 1 1.08 0.02 . 1 . . . . 89 V QG2 . 16913 1 1012 . 1 1 89 89 VAL C C 13 175.84 0.2 . 1 . . . . 89 V C . 16913 1 1013 . 1 1 89 89 VAL CA C 13 63.91 0.2 . 1 . . . . 89 V CA . 16913 1 1014 . 1 1 89 89 VAL CB C 13 33.52 0.2 . 1 . . . . 89 V CB . 16913 1 1015 . 1 1 89 89 VAL CG1 C 13 21.48 0.2 . 2 . . . . 89 V CG1 . 16913 1 1016 . 1 1 89 89 VAL CG2 C 13 22.68 0.2 . 2 . . . . 89 V CG2 . 16913 1 1017 . 1 1 90 90 ALA H H 1 8.04 0.02 . 1 . . . . 90 A HN . 16913 1 1018 . 1 1 90 90 ALA HA H 1 4.75 0.02 . 1 . . . . 90 A HA . 16913 1 1019 . 1 1 90 90 ALA HB1 H 1 1.34 0.02 . 1 . . . . 90 A QB . 16913 1 1020 . 1 1 90 90 ALA HB2 H 1 1.34 0.02 . 1 . . . . 90 A QB . 16913 1 1021 . 1 1 90 90 ALA HB3 H 1 1.34 0.02 . 1 . . . . 90 A QB . 16913 1 1022 . 1 1 90 90 ALA C C 13 174.94 0.2 . 1 . . . . 90 A C . 16913 1 1023 . 1 1 90 90 ALA CA C 13 52.53 0.2 . 1 . . . . 90 A CA . 16913 1 1024 . 1 1 90 90 ALA CB C 13 23.43 0.2 . 1 . . . . 90 A CB . 16913 1 1025 . 1 1 91 91 PHE H H 1 8.8 0.02 . 1 . . . . 91 F HN . 16913 1 1026 . 1 1 91 91 PHE HA H 1 4.77 0.02 . 1 . . . . 91 F HA . 16913 1 1027 . 1 1 91 91 PHE HB2 H 1 2.64 0.02 . 2 . . . . 91 F HB2 . 16913 1 1028 . 1 1 91 91 PHE HB3 H 1 3.31 0.02 . 2 . . . . 91 F HB3 . 16913 1 1029 . 1 1 91 91 PHE HD1 H 1 6.86 0.02 . 3 . . . . 91 F QD . 16913 1 1030 . 1 1 91 91 PHE HD2 H 1 6.86 0.02 . 3 . . . . 91 F QD . 16913 1 1031 . 1 1 91 91 PHE HE1 H 1 6.68 0.02 . 3 . . . . 91 F QE . 16913 1 1032 . 1 1 91 91 PHE HE2 H 1 6.68 0.02 . 3 . . . . 91 F QE . 16913 1 1033 . 1 1 91 91 PHE C C 13 173.69 0.2 . 1 . . . . 91 F C . 16913 1 1034 . 1 1 91 91 PHE CA C 13 58.75 0.2 . 1 . . . . 91 F CA . 16913 1 1035 . 1 1 91 91 PHE CB C 13 42.29 0.2 . 1 . . . . 91 F CB . 16913 1 1036 . 1 1 91 91 PHE CD1 C 13 130.97 0.2 . 3 . . . . 91 F CD1 . 16913 1 1037 . 1 1 91 91 PHE CD2 C 13 130.97 0.2 . 3 . . . . 91 F CD2 . 16913 1 1038 . 1 1 91 91 PHE CE1 C 13 131.21 0.2 . 3 . . . . 91 F CE1 . 16913 1 1039 . 1 1 91 91 PHE CE2 C 13 131.21 0.2 . 3 . . . . 91 F CE2 . 16913 1 1040 . 1 1 92 92 VAL H H 1 9.22 0.02 . 1 . . . . 92 V HN . 16913 1 1041 . 1 1 92 92 VAL HA H 1 4.7 0.02 . 1 . . . . 92 V HA . 16913 1 1042 . 1 1 92 92 VAL HB H 1 2.14 0.02 . 1 . . . . 92 V HB . 16913 1 1043 . 1 1 92 92 VAL HG11 H 1 0.83 0.02 . 1 . . . . 92 V QQG . 16913 1 1044 . 1 1 92 92 VAL HG12 H 1 0.83 0.02 . 1 . . . . 92 V QQG . 16913 1 1045 . 1 1 92 92 VAL HG13 H 1 0.83 0.02 . 1 . . . . 92 V QQG . 16913 1 1046 . 1 1 92 92 VAL HG21 H 1 0.83 0.02 . 1 . . . . 92 V QQG . 16913 1 1047 . 1 1 92 92 VAL HG22 H 1 0.83 0.02 . 1 . . . . 92 V QQG . 16913 1 1048 . 1 1 92 92 VAL HG23 H 1 0.83 0.02 . 1 . . . . 92 V QQG . 16913 1 1049 . 1 1 92 92 VAL CA C 13 59.4 0.2 . 1 . . . . 92 V CA . 16913 1 1050 . 1 1 92 92 VAL CB C 13 35.71 0.2 . 1 . . . . 92 V CB . 16913 1 1051 . 1 1 92 92 VAL CG1 C 13 19.86 0.2 . 2 . . . . 92 V CG1 . 16913 1 1052 . 1 1 92 92 VAL CG2 C 13 21.07 0.2 . 2 . . . . 92 V CG2 . 16913 1 1053 . 1 1 93 93 PRO HA H 1 3.85 0.02 . 1 . . . . 93 P HA . 16913 1 1054 . 1 1 93 93 PRO HB2 H 1 0.88 0.02 . 2 . . . . 93 P HB2 . 16913 1 1055 . 1 1 93 93 PRO HB3 H 1 1.48 0.02 . 2 . . . . 93 P HB3 . 16913 1 1056 . 1 1 93 93 PRO HD2 H 1 3.64 0.02 . 2 . . . . 93 P HD2 . 16913 1 1057 . 1 1 93 93 PRO HD3 H 1 3.63 0.02 . 2 . . . . 93 P HD3 . 16913 1 1058 . 1 1 93 93 PRO HG2 H 1 1.87 0.02 . 2 . . . . 93 P HG2 . 16913 1 1059 . 1 1 93 93 PRO HG3 H 1 2.13 0.02 . 2 . . . . 93 P HG3 . 16913 1 1060 . 1 1 93 93 PRO C C 13 175.87 0.2 . 1 . . . . 93 P C . 16913 1 1061 . 1 1 93 93 PRO CA C 13 62.98 0.2 . 1 . . . . 93 P CA . 16913 1 1062 . 1 1 93 93 PRO CB C 13 32 0.2 . 1 . . . . 93 P CB . 16913 1 1063 . 1 1 93 93 PRO CD C 13 51.53 0.2 . 1 . . . . 93 P CD . 16913 1 1064 . 1 1 93 93 PRO CG C 13 27.72 0.2 . 1 . . . . 93 P CG . 16913 1 1065 . 1 1 94 94 LEU H H 1 7.97 0.02 . 1 . . . . 94 L HN . 16913 1 1066 . 1 1 94 94 LEU HA H 1 3.88 0.02 . 1 . . . . 94 L HA . 16913 1 1067 . 1 1 94 94 LEU HB2 H 1 0.18 0.02 . 2 . . . . 94 L HB2 . 16913 1 1068 . 1 1 94 94 LEU HB3 H 1 1.34 0.02 . 2 . . . . 94 L HB3 . 16913 1 1069 . 1 1 94 94 LEU HD11 H 1 0.24 0.02 . 1 . . . . 94 L QD1 . 16913 1 1070 . 1 1 94 94 LEU HD12 H 1 0.24 0.02 . 1 . . . . 94 L QD1 . 16913 1 1071 . 1 1 94 94 LEU HD13 H 1 0.24 0.02 . 1 . . . . 94 L QD1 . 16913 1 1072 . 1 1 94 94 LEU HD21 H 1 0.35 0.02 . 1 . . . . 94 L QD2 . 16913 1 1073 . 1 1 94 94 LEU HD22 H 1 0.35 0.02 . 1 . . . . 94 L QD2 . 16913 1 1074 . 1 1 94 94 LEU HD23 H 1 0.35 0.02 . 1 . . . . 94 L QD2 . 16913 1 1075 . 1 1 94 94 LEU HG H 1 0.55 0.02 . 1 . . . . 94 L HG . 16913 1 1076 . 1 1 94 94 LEU C C 13 174.19 0.2 . 1 . . . . 94 L C . 16913 1 1077 . 1 1 94 94 LEU CA C 13 51.44 0.2 . 1 . . . . 94 L CA . 16913 1 1078 . 1 1 94 94 LEU CB C 13 38.17 0.2 . 1 . . . . 94 L CB . 16913 1 1079 . 1 1 94 94 LEU CD1 C 13 23.89 0.2 . 2 . . . . 94 L CD1 . 16913 1 1080 . 1 1 94 94 LEU CD2 C 13 23.83 0.2 . 2 . . . . 94 L CD2 . 16913 1 1081 . 1 1 94 94 LEU CG C 13 27.42 0.2 . 1 . . . . 94 L CG . 16913 1 1082 . 1 1 95 95 PHE H H 1 6.51 0.02 . 1 . . . . 95 F HN . 16913 1 1083 . 1 1 95 95 PHE HA H 1 4.49 0.02 . 1 . . . . 95 F HA . 16913 1 1084 . 1 1 95 95 PHE HB2 H 1 3.09 0.02 . 2 . . . . 95 F HB2 . 16913 1 1085 . 1 1 95 95 PHE HB3 H 1 3.44 0.02 . 2 . . . . 95 F HB3 . 16913 1 1086 . 1 1 95 95 PHE HD1 H 1 7.01 0.02 . 3 . . . . 95 F QD . 16913 1 1087 . 1 1 95 95 PHE HD2 H 1 7.01 0.02 . 3 . . . . 95 F QD . 16913 1 1088 . 1 1 95 95 PHE HE1 H 1 6.83 0.02 . 3 . . . . 95 F QE . 16913 1 1089 . 1 1 95 95 PHE HE2 H 1 6.83 0.02 . 3 . . . . 95 F QE . 16913 1 1090 . 1 1 95 95 PHE CA C 13 57.86 0.2 . 1 . . . . 95 F CA . 16913 1 1091 . 1 1 95 95 PHE CB C 13 38.09 0.2 . 1 . . . . 95 F CB . 16913 1 1092 . 1 1 95 95 PHE CD1 C 13 132.09 0.2 . 3 . . . . 95 F CD1 . 16913 1 1093 . 1 1 95 95 PHE CD2 C 13 132.09 0.2 . 3 . . . . 95 F CD2 . 16913 1 1094 . 1 1 95 95 PHE CE1 C 13 132.98 0.2 . 3 . . . . 95 F CE1 . 16913 1 1095 . 1 1 95 95 PHE CE2 C 13 132.98 0.2 . 3 . . . . 95 F CE2 . 16913 1 stop_ save_