data_18113 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18113 _Entry.Title ; Sequence-specific 1H, 15N and 13C resonance assigments of Gad m 1: a allergenic parvalbumin from Atlantic Cod (Gadus morhua). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-30 _Entry.Accession_date 2011-11-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Adolfo Moraes . H. . 18113 2 Daniela Ackerbauer . . . 18113 3 Merima Bublin . . . 18113 4 Fatima Ferreira . . . 18113 5 Fabio Almeida . C.L. . 18113 6 Heimo Breiteneder . . . 18113 7 'Ana Paula' Valente . . . 18113 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centro Nacional de Ressonancia Magnetica Nuclear - Laboratorio BioNMR' . 18113 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18113 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 18113 '15N chemical shifts' 105 18113 '1H chemical shifts' 679 18113 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 . . 2014-02-26 2011-11-30 update BMRB 'update entry citation' 18113 1 . . 2013-04-02 2011-11-30 original author 'original release' 18113 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MBX 'BMRB Entry Tracking System' 18113 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18113 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22585088 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments and second structure information of Gad m 1: a -parvalbumin allergen from Atlantic cod (Gadus morhua).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 133 _Citation.Page_last 136 _Citation.Year 2013 _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 A. Moraes . H. . 18113 1 2 D. Ackerbauer . . . 18113 1 3 M. Kostadinova . . . 18113 1 4 M. Bublin . . . 18113 1 5 F. Ferreira . . . 18113 1 6 F. Almeida . C.L. . 18113 1 7 H. Breiteneder . . . 18113 1 8 A. Valente . P. . 18113 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18113 _Assembly.ID 1 _Assembly.Name 'allergenic beta parvalbumin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Gad m 1' 1 $Gad_m_1 A . yes native no no . . . 18113 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gad_m_1 _Entity.Sf_category entity _Entity.Sf_framecode Gad_m_1 _Entity.Entry_ID 18113 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Gad_m_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAFAGILNDADITAALAACK AEGSFDHKAFFTKVGLAAKS PADIKKVFEIIDQDKSDFVE EDELKLFLQNFSAGARALSD AETKVFLKAGDSDGDGKIGV DEFGAMIKA ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MBX . "Structure, Dynamics And Stability Of Allergen Cod Parvalbumin Gad M 1 By Solution And High-pressure Nmr." . . . . . 100.00 109 100.00 100.00 7.23e-67 . . . . 18113 1 2 no EMBL CAM56786 . "parvalbumin beta [Gadus morhua]" . . . . . 100.00 109 99.08 99.08 1.13e-65 . . . . 18113 1 3 no EMBL CBG27552 . "parvalbumin beta-2 [Gadus morhua]" . . . . . 100.00 109 100.00 100.00 7.23e-67 . . . . 18113 1 4 no GB AAK63087 . "parvalbumin beta [Gadus morhua]" . . . . . 100.00 109 100.00 100.00 7.23e-67 . . . . 18113 1 5 no SP Q90YK9 . "RecName: Full=Parvalbumin beta; AltName: Allergen=Gad m 1" . . . . . 100.00 109 100.00 100.00 7.23e-67 . . . . 18113 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18113 1 2 . ALA . 18113 1 3 . PHE . 18113 1 4 . ALA . 18113 1 5 . GLY . 18113 1 6 . ILE . 18113 1 7 . LEU . 18113 1 8 . ASN . 18113 1 9 . ASP . 18113 1 10 . ALA . 18113 1 11 . ASP . 18113 1 12 . ILE . 18113 1 13 . THR . 18113 1 14 . ALA . 18113 1 15 . ALA . 18113 1 16 . LEU . 18113 1 17 . ALA . 18113 1 18 . ALA . 18113 1 19 . CYS . 18113 1 20 . LYS . 18113 1 21 . ALA . 18113 1 22 . GLU . 18113 1 23 . GLY . 18113 1 24 . SER . 18113 1 25 . PHE . 18113 1 26 . ASP . 18113 1 27 . HIS . 18113 1 28 . LYS . 18113 1 29 . ALA . 18113 1 30 . PHE . 18113 1 31 . PHE . 18113 1 32 . THR . 18113 1 33 . LYS . 18113 1 34 . VAL . 18113 1 35 . GLY . 18113 1 36 . LEU . 18113 1 37 . ALA . 18113 1 38 . ALA . 18113 1 39 . LYS . 18113 1 40 . SER . 18113 1 41 . PRO . 18113 1 42 . ALA . 18113 1 43 . ASP . 18113 1 44 . ILE . 18113 1 45 . LYS . 18113 1 46 . LYS . 18113 1 47 . VAL . 18113 1 48 . PHE . 18113 1 49 . GLU . 18113 1 50 . ILE . 18113 1 51 . ILE . 18113 1 52 . ASP . 18113 1 53 . GLN . 18113 1 54 . ASP . 18113 1 55 . LYS . 18113 1 56 . SER . 18113 1 57 . ASP . 18113 1 58 . PHE . 18113 1 59 . VAL . 18113 1 60 . GLU . 18113 1 61 . GLU . 18113 1 62 . ASP . 18113 1 63 . GLU . 18113 1 64 . LEU . 18113 1 65 . LYS . 18113 1 66 . LEU . 18113 1 67 . PHE . 18113 1 68 . LEU . 18113 1 69 . GLN . 18113 1 70 . ASN . 18113 1 71 . PHE . 18113 1 72 . SER . 18113 1 73 . ALA . 18113 1 74 . GLY . 18113 1 75 . ALA . 18113 1 76 . ARG . 18113 1 77 . ALA . 18113 1 78 . LEU . 18113 1 79 . SER . 18113 1 80 . ASP . 18113 1 81 . ALA . 18113 1 82 . GLU . 18113 1 83 . THR . 18113 1 84 . LYS . 18113 1 85 . VAL . 18113 1 86 . PHE . 18113 1 87 . LEU . 18113 1 88 . LYS . 18113 1 89 . ALA . 18113 1 90 . GLY . 18113 1 91 . ASP . 18113 1 92 . SER . 18113 1 93 . ASP . 18113 1 94 . GLY . 18113 1 95 . ASP . 18113 1 96 . GLY . 18113 1 97 . LYS . 18113 1 98 . ILE . 18113 1 99 . GLY . 18113 1 100 . VAL . 18113 1 101 . ASP . 18113 1 102 . GLU . 18113 1 103 . PHE . 18113 1 104 . GLY . 18113 1 105 . ALA . 18113 1 106 . MET . 18113 1 107 . ILE . 18113 1 108 . LYS . 18113 1 109 . ALA . 18113 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18113 1 . ALA 2 2 18113 1 . PHE 3 3 18113 1 . ALA 4 4 18113 1 . GLY 5 5 18113 1 . ILE 6 6 18113 1 . LEU 7 7 18113 1 . ASN 8 8 18113 1 . ASP 9 9 18113 1 . ALA 10 10 18113 1 . ASP 11 11 18113 1 . ILE 12 12 18113 1 . THR 13 13 18113 1 . ALA 14 14 18113 1 . ALA 15 15 18113 1 . LEU 16 16 18113 1 . ALA 17 17 18113 1 . ALA 18 18 18113 1 . CYS 19 19 18113 1 . LYS 20 20 18113 1 . ALA 21 21 18113 1 . GLU 22 22 18113 1 . GLY 23 23 18113 1 . SER 24 24 18113 1 . PHE 25 25 18113 1 . ASP 26 26 18113 1 . HIS 27 27 18113 1 . LYS 28 28 18113 1 . ALA 29 29 18113 1 . PHE 30 30 18113 1 . PHE 31 31 18113 1 . THR 32 32 18113 1 . LYS 33 33 18113 1 . VAL 34 34 18113 1 . GLY 35 35 18113 1 . LEU 36 36 18113 1 . ALA 37 37 18113 1 . ALA 38 38 18113 1 . LYS 39 39 18113 1 . SER 40 40 18113 1 . PRO 41 41 18113 1 . ALA 42 42 18113 1 . ASP 43 43 18113 1 . ILE 44 44 18113 1 . LYS 45 45 18113 1 . LYS 46 46 18113 1 . VAL 47 47 18113 1 . PHE 48 48 18113 1 . GLU 49 49 18113 1 . ILE 50 50 18113 1 . ILE 51 51 18113 1 . ASP 52 52 18113 1 . GLN 53 53 18113 1 . ASP 54 54 18113 1 . LYS 55 55 18113 1 . SER 56 56 18113 1 . ASP 57 57 18113 1 . PHE 58 58 18113 1 . VAL 59 59 18113 1 . GLU 60 60 18113 1 . GLU 61 61 18113 1 . ASP 62 62 18113 1 . GLU 63 63 18113 1 . LEU 64 64 18113 1 . LYS 65 65 18113 1 . LEU 66 66 18113 1 . PHE 67 67 18113 1 . LEU 68 68 18113 1 . GLN 69 69 18113 1 . ASN 70 70 18113 1 . PHE 71 71 18113 1 . SER 72 72 18113 1 . ALA 73 73 18113 1 . GLY 74 74 18113 1 . ALA 75 75 18113 1 . ARG 76 76 18113 1 . ALA 77 77 18113 1 . LEU 78 78 18113 1 . SER 79 79 18113 1 . ASP 80 80 18113 1 . ALA 81 81 18113 1 . GLU 82 82 18113 1 . THR 83 83 18113 1 . LYS 84 84 18113 1 . VAL 85 85 18113 1 . PHE 86 86 18113 1 . LEU 87 87 18113 1 . LYS 88 88 18113 1 . ALA 89 89 18113 1 . GLY 90 90 18113 1 . ASP 91 91 18113 1 . SER 92 92 18113 1 . ASP 93 93 18113 1 . GLY 94 94 18113 1 . ASP 95 95 18113 1 . GLY 96 96 18113 1 . LYS 97 97 18113 1 . ILE 98 98 18113 1 . GLY 99 99 18113 1 . VAL 100 100 18113 1 . ASP 101 101 18113 1 . GLU 102 102 18113 1 . PHE 103 103 18113 1 . GLY 104 104 18113 1 . ALA 105 105 18113 1 . MET 106 106 18113 1 . ILE 107 107 18113 1 . LYS 108 108 18113 1 . ALA 109 109 18113 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 18113 _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 $Gad_m_1 . 8049 organism . 'Gadus morhua' 'Atlantic cod' . . Eukaryota Metazoa Gadus morhua . . . . . . . . . . . . . . . . . . . . . 18113 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 18113 _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 $Gad_m_1 . 'recombinant technology' 'Gadus morhua' . . . Gadus morhua . . . . . . . . . . . . . . . . pET17b . . . . . . 18113 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18113 _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 'Gad m 1' '[U-100% 13C; U-100% 15N]' . . 1 $Gad_m_1 . . 0.6-1.0 . . uM . . . . 18113 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18113 1 3 'calcium chloride' 'natural abundance' . . . . . . 0.5 . . mM . . . . 18113 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 18113 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 18113 1 pressure 1 . atm 18113 1 temperature 298 . K 18113 1 stop_ save_ ############################ # Computer software used # ############################ save_talos _Software.Sf_category software _Software.Sf_framecode talos _Software.Entry_ID 18113 _Software.ID 1 _Software.Name TALOS _Software.Version + _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen' . . 18113 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18113 1 stop_ save_ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 18113 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 18113 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18113 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 18113 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18113 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18113 _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 . 800 . . . 18113 1 2 spectrometer_2 Bruker Avance . 600 'with cryoprobe' . . 18113 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 18113 _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 NH2 only' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18113 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 18113 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na direct 0.251449530 . . . . . . . . . 18113 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18113 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18113 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 18113 _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 NH2 only' . . . 18113 1 2 '2D 1H-13C HSQC aliphatic' . . . 18113 1 3 '2D 1H-13C HSQC aromatic' . . . 18113 1 4 '3D CBCA(CO)NH' . . . 18113 1 5 '3D HNCO' . . . 18113 1 6 '3D HNCA' . . . 18113 1 7 '3D HNCACB' . . . 18113 1 8 '3D HBHA(CO)NH' . . . 18113 1 9 '3D HN(CO)CA' . . . 18113 1 10 '3D 1H-15N NOESY' . . . 18113 1 11 '3D 1H-13C NOESY aliphatic' . . . 18113 1 12 '3D 1H-13C NOESY aromatic' . . . 18113 1 13 '3D HCCH-TOCSY' . . . 18113 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 3 3 PHE HA H 1 4.240 0.020 . 1 . . . . 3 PHE HA . 18113 1 2 . 1 1 3 3 PHE HB2 H 1 3.090 0.020 . 2 . . . . 3 PHE HB2 . 18113 1 3 . 1 1 3 3 PHE HB3 H 1 3.129 0.020 . 2 . . . . 3 PHE HB3 . 18113 1 4 . 1 1 4 4 ALA H H 1 8.444 0.020 . 1 . . . . 4 ALA H . 18113 1 5 . 1 1 4 4 ALA HA H 1 4.141 0.020 . 1 . . . . 4 ALA HA . 18113 1 6 . 1 1 4 4 ALA HB1 H 1 1.345 0.020 . 1 . . . . 4 ALA QB . 18113 1 7 . 1 1 4 4 ALA HB2 H 1 1.345 0.020 . 1 . . . . 4 ALA QB . 18113 1 8 . 1 1 4 4 ALA HB3 H 1 1.345 0.020 . 1 . . . . 4 ALA QB . 18113 1 9 . 1 1 4 4 ALA C C 13 178.071 0.3 . 1 . . . . 4 ALA C . 18113 1 10 . 1 1 4 4 ALA CA C 13 52.805 0.3 . 1 . . . . 4 ALA CA . 18113 1 11 . 1 1 4 4 ALA CB C 13 17.539 0.3 . 1 . . . . 4 ALA CB . 18113 1 12 . 1 1 4 4 ALA N N 15 122.902 0.3 . 1 . . . . 4 ALA N . 18113 1 13 . 1 1 5 5 GLY H H 1 8.485 0.020 . 1 . . . . 5 GLY H . 18113 1 14 . 1 1 5 5 GLY HA2 H 1 4.077 0.020 . 2 . . . . 5 GLY HA2 . 18113 1 15 . 1 1 5 5 GLY HA3 H 1 3.674 0.020 . 2 . . . . 5 GLY HA3 . 18113 1 16 . 1 1 5 5 GLY C C 13 174.689 0.3 . 1 . . . . 5 GLY C . 18113 1 17 . 1 1 5 5 GLY CA C 13 45.135 0.3 . 1 . . . . 5 GLY CA . 18113 1 18 . 1 1 5 5 GLY N N 15 108.121 0.3 . 1 . . . . 5 GLY N . 18113 1 19 . 1 1 6 6 ILE H H 1 8.098 0.020 . 1 . . . . 6 ILE H . 18113 1 20 . 1 1 6 6 ILE HA H 1 4.052 0.020 . 1 . . . . 6 ILE HA . 18113 1 21 . 1 1 6 6 ILE HB H 1 1.763 0.020 . 1 . . . . 6 ILE HB . 18113 1 22 . 1 1 6 6 ILE HG12 H 1 1.673 0.020 . 2 . . . . 6 ILE HG12 . 18113 1 23 . 1 1 6 6 ILE HG13 H 1 1.612 0.020 . 2 . . . . 6 ILE HG13 . 18113 1 24 . 1 1 6 6 ILE HG21 H 1 0.853 0.020 . 1 . . . . 6 ILE QG2 . 18113 1 25 . 1 1 6 6 ILE HG22 H 1 0.853 0.020 . 1 . . . . 6 ILE QG2 . 18113 1 26 . 1 1 6 6 ILE HG23 H 1 0.853 0.020 . 1 . . . . 6 ILE QG2 . 18113 1 27 . 1 1 6 6 ILE HD11 H 1 0.940 0.020 . 1 . . . . 6 ILE QD1 . 18113 1 28 . 1 1 6 6 ILE HD12 H 1 0.940 0.020 . 1 . . . . 6 ILE QD1 . 18113 1 29 . 1 1 6 6 ILE HD13 H 1 0.940 0.020 . 1 . . . . 6 ILE QD1 . 18113 1 30 . 1 1 6 6 ILE C C 13 174.683 0.3 . 1 . . . . 6 ILE C . 18113 1 31 . 1 1 6 6 ILE CA C 13 63.840 0.3 . 1 . . . . 6 ILE CA . 18113 1 32 . 1 1 6 6 ILE CB C 13 40.368 0.3 . 1 . . . . 6 ILE CB . 18113 1 33 . 1 1 6 6 ILE CG1 C 13 27.861 0.3 . 1 . . . . 6 ILE CG1 . 18113 1 34 . 1 1 6 6 ILE CG2 C 13 17.084 0.3 . 1 . . . . 6 ILE CG2 . 18113 1 35 . 1 1 6 6 ILE CD1 C 13 14.222 0.3 . 1 . . . . 6 ILE CD1 . 18113 1 36 . 1 1 6 6 ILE N N 15 119.401 0.3 . 1 . . . . 6 ILE N . 18113 1 37 . 1 1 7 7 LEU H H 1 7.670 0.020 . 1 . . . . 7 LEU H . 18113 1 38 . 1 1 7 7 LEU HA H 1 4.950 0.020 . 1 . . . . 7 LEU HA . 18113 1 39 . 1 1 7 7 LEU HB2 H 1 1.734 0.020 . 2 . . . . 7 LEU HB2 . 18113 1 40 . 1 1 7 7 LEU HB3 H 1 1.576 0.020 . 2 . . . . 7 LEU HB3 . 18113 1 41 . 1 1 7 7 LEU HG H 1 1.511 0.020 . 1 . . . . 7 LEU HG . 18113 1 42 . 1 1 7 7 LEU HD11 H 1 0.897 0.020 . 2 . . . . 7 LEU QD1 . 18113 1 43 . 1 1 7 7 LEU HD12 H 1 0.897 0.020 . 2 . . . . 7 LEU QD1 . 18113 1 44 . 1 1 7 7 LEU HD13 H 1 0.897 0.020 . 2 . . . . 7 LEU QD1 . 18113 1 45 . 1 1 7 7 LEU HD21 H 1 0.906 0.020 . 2 . . . . 7 LEU QD2 . 18113 1 46 . 1 1 7 7 LEU HD22 H 1 0.906 0.020 . 2 . . . . 7 LEU QD2 . 18113 1 47 . 1 1 7 7 LEU HD23 H 1 0.906 0.020 . 2 . . . . 7 LEU QD2 . 18113 1 48 . 1 1 7 7 LEU C C 13 175.622 0.3 . 1 . . . . 7 LEU C . 18113 1 49 . 1 1 7 7 LEU CA C 13 51.841 0.3 . 1 . . . . 7 LEU CA . 18113 1 50 . 1 1 7 7 LEU CB C 13 44.840 0.3 . 1 . . . . 7 LEU CB . 18113 1 51 . 1 1 7 7 LEU CG C 13 27.034 0.3 . 1 . . . . 7 LEU CG . 18113 1 52 . 1 1 7 7 LEU CD1 C 13 24.368 0.3 . 1 . . . . 7 LEU CD1 . 18113 1 53 . 1 1 7 7 LEU CD2 C 13 23.401 0.3 . 1 . . . . 7 LEU CD2 . 18113 1 54 . 1 1 7 7 LEU N N 15 113.255 0.3 . 1 . . . . 7 LEU N . 18113 1 55 . 1 1 8 8 ASN H H 1 9.134 0.020 . 1 . . . . 8 ASN H . 18113 1 56 . 1 1 8 8 ASN HA H 1 4.771 0.020 . 1 . . . . 8 ASN HA . 18113 1 57 . 1 1 8 8 ASN HB2 H 1 2.908 0.020 . 2 . . . . 8 ASN HB2 . 18113 1 58 . 1 1 8 8 ASN HB3 H 1 2.800 0.020 . 2 . . . . 8 ASN HB3 . 18113 1 59 . 1 1 8 8 ASN C C 13 176.206 0.3 . 1 . . . . 8 ASN C . 18113 1 60 . 1 1 8 8 ASN CA C 13 52.265 0.3 . 1 . . . . 8 ASN CA . 18113 1 61 . 1 1 8 8 ASN CB C 13 39.270 0.3 . 1 . . . . 8 ASN CB . 18113 1 62 . 1 1 8 8 ASN N N 15 121.174 0.3 . 1 . . . . 8 ASN N . 18113 1 63 . 1 1 9 9 ASP H H 1 9.161 0.020 . 1 . . . . 9 ASP H . 18113 1 64 . 1 1 9 9 ASP HA H 1 4.130 0.020 . 1 . . . . 9 ASP HA . 18113 1 65 . 1 1 9 9 ASP HB2 H 1 2.654 0.020 . 2 . . . . 9 ASP HB2 . 18113 1 66 . 1 1 9 9 ASP HB3 H 1 2.417 0.020 . 2 . . . . 9 ASP HB3 . 18113 1 67 . 1 1 9 9 ASP C C 13 177.883 0.3 . 1 . . . . 9 ASP C . 18113 1 68 . 1 1 9 9 ASP CA C 13 58.207 0.3 . 1 . . . . 9 ASP CA . 18113 1 69 . 1 1 9 9 ASP CB C 13 40.115 0.3 . 1 . . . . 9 ASP CB . 18113 1 70 . 1 1 9 9 ASP N N 15 126.621 0.3 . 1 . . . . 9 ASP N . 18113 1 71 . 1 1 10 10 ALA H H 1 8.432 0.020 . 1 . . . . 10 ALA H . 18113 1 72 . 1 1 10 10 ALA HA H 1 4.151 0.020 . 1 . . . . 10 ALA HA . 18113 1 73 . 1 1 10 10 ALA HB1 H 1 1.273 0.020 . 1 . . . . 10 ALA QB . 18113 1 74 . 1 1 10 10 ALA HB2 H 1 1.273 0.020 . 1 . . . . 10 ALA QB . 18113 1 75 . 1 1 10 10 ALA HB3 H 1 1.273 0.020 . 1 . . . . 10 ALA QB . 18113 1 76 . 1 1 10 10 ALA C C 13 180.906 0.3 . 1 . . . . 10 ALA C . 18113 1 77 . 1 1 10 10 ALA CA C 13 55.215 0.3 . 1 . . . . 10 ALA CA . 18113 1 78 . 1 1 10 10 ALA CB C 13 17.804 0.3 . 1 . . . . 10 ALA CB . 18113 1 79 . 1 1 10 10 ALA N N 15 120.831 0.3 . 1 . . . . 10 ALA N . 18113 1 80 . 1 1 11 11 ASP H H 1 7.404 0.020 . 1 . . . . 11 ASP H . 18113 1 81 . 1 1 11 11 ASP HA H 1 4.380 0.020 . 1 . . . . 11 ASP HA . 18113 1 82 . 1 1 11 11 ASP HB2 H 1 2.935 0.020 . 2 . . . . 11 ASP HB2 . 18113 1 83 . 1 1 11 11 ASP HB3 H 1 2.870 0.020 . 2 . . . . 11 ASP HB3 . 18113 1 84 . 1 1 11 11 ASP C C 13 177.968 0.3 . 1 . . . . 11 ASP C . 18113 1 85 . 1 1 11 11 ASP CA C 13 56.981 0.3 . 1 . . . . 11 ASP CA . 18113 1 86 . 1 1 11 11 ASP CB C 13 39.171 0.3 . 1 . . . . 11 ASP CB . 18113 1 87 . 1 1 11 11 ASP N N 15 118.986 0.3 . 1 . . . . 11 ASP N . 18113 1 88 . 1 1 12 12 ILE H H 1 7.748 0.020 . 1 . . . . 12 ILE H . 18113 1 89 . 1 1 12 12 ILE HA H 1 3.400 0.020 . 1 . . . . 12 ILE HA . 18113 1 90 . 1 1 12 12 ILE HB H 1 2.120 0.020 . 1 . . . . 12 ILE HB . 18113 1 91 . 1 1 12 12 ILE HG12 H 1 1.874 0.020 . 2 . . . . 12 ILE HG12 . 18113 1 92 . 1 1 12 12 ILE HG13 H 1 1.834 0.020 . 2 . . . . 12 ILE HG13 . 18113 1 93 . 1 1 12 12 ILE HG21 H 1 1.051 0.020 . 1 . . . . 12 ILE QG2 . 18113 1 94 . 1 1 12 12 ILE HG22 H 1 1.051 0.020 . 1 . . . . 12 ILE QG2 . 18113 1 95 . 1 1 12 12 ILE HG23 H 1 1.051 0.020 . 1 . . . . 12 ILE QG2 . 18113 1 96 . 1 1 12 12 ILE HD11 H 1 0.870 0.020 . 1 . . . . 12 ILE QD1 . 18113 1 97 . 1 1 12 12 ILE HD12 H 1 0.870 0.020 . 1 . . . . 12 ILE QD1 . 18113 1 98 . 1 1 12 12 ILE HD13 H 1 0.870 0.020 . 1 . . . . 12 ILE QD1 . 18113 1 99 . 1 1 12 12 ILE C C 13 177.346 0.3 . 1 . . . . 12 ILE C . 18113 1 100 . 1 1 12 12 ILE CA C 13 66.026 0.3 . 1 . . . . 12 ILE CA . 18113 1 101 . 1 1 12 12 ILE CB C 13 37.573 0.3 . 1 . . . . 12 ILE CB . 18113 1 102 . 1 1 12 12 ILE CG1 C 13 30.990 0.3 . 1 . . . . 12 ILE CG1 . 18113 1 103 . 1 1 12 12 ILE CG2 C 13 17.986 0.3 . 1 . . . . 12 ILE CG2 . 18113 1 104 . 1 1 12 12 ILE CD1 C 13 14.759 0.3 . 1 . . . . 12 ILE CD1 . 18113 1 105 . 1 1 12 12 ILE N N 15 120.254 0.3 . 1 . . . . 12 ILE N . 18113 1 106 . 1 1 13 13 THR H H 1 8.501 0.020 . 1 . . . . 13 THR H . 18113 1 107 . 1 1 13 13 THR HA H 1 4.057 0.020 . 1 . . . . 13 THR HA . 18113 1 108 . 1 1 13 13 THR HB H 1 3.725 0.020 . 1 . . . . 13 THR HB . 18113 1 109 . 1 1 13 13 THR HG1 H 1 4.343 0.020 . 1 . . . . 13 THR HG1 . 18113 1 110 . 1 1 13 13 THR HG21 H 1 1.209 0.020 . 1 . . . . 13 THR QG2 . 18113 1 111 . 1 1 13 13 THR HG22 H 1 1.209 0.020 . 1 . . . . 13 THR QG2 . 18113 1 112 . 1 1 13 13 THR HG23 H 1 1.209 0.020 . 1 . . . . 13 THR QG2 . 18113 1 113 . 1 1 13 13 THR C C 13 176.929 0.3 . 1 . . . . 13 THR C . 18113 1 114 . 1 1 13 13 THR CA C 13 66.841 0.3 . 1 . . . . 13 THR CA . 18113 1 115 . 1 1 13 13 THR CB C 13 68.686 0.3 . 1 . . . . 13 THR CB . 18113 1 116 . 1 1 13 13 THR N N 15 116.207 0.3 . 1 . . . . 13 THR N . 18113 1 117 . 1 1 14 14 ALA H H 1 7.697 0.020 . 1 . . . . 14 ALA H . 18113 1 118 . 1 1 14 14 ALA HA H 1 4.159 0.020 . 1 . . . . 14 ALA HA . 18113 1 119 . 1 1 14 14 ALA HB1 H 1 1.443 0.020 . 1 . . . . 14 ALA QB . 18113 1 120 . 1 1 14 14 ALA HB2 H 1 1.443 0.020 . 1 . . . . 14 ALA QB . 18113 1 121 . 1 1 14 14 ALA HB3 H 1 1.443 0.020 . 1 . . . . 14 ALA QB . 18113 1 122 . 1 1 14 14 ALA C C 13 180.286 0.3 . 1 . . . . 14 ALA C . 18113 1 123 . 1 1 14 14 ALA CA C 13 54.603 0.3 . 1 . . . . 14 ALA CA . 18113 1 124 . 1 1 14 14 ALA CB C 13 17.555 0.3 . 1 . . . . 14 ALA CB . 18113 1 125 . 1 1 14 14 ALA N N 15 122.904 0.3 . 1 . . . . 14 ALA N . 18113 1 126 . 1 1 15 15 ALA H H 1 8.428 0.020 . 1 . . . . 15 ALA H . 18113 1 127 . 1 1 15 15 ALA HA H 1 4.100 0.020 . 1 . . . . 15 ALA HA . 18113 1 128 . 1 1 15 15 ALA HB1 H 1 1.411 0.020 . 1 . . . . 15 ALA QB . 18113 1 129 . 1 1 15 15 ALA HB2 H 1 1.411 0.020 . 1 . . . . 15 ALA QB . 18113 1 130 . 1 1 15 15 ALA HB3 H 1 1.411 0.020 . 1 . . . . 15 ALA QB . 18113 1 131 . 1 1 15 15 ALA C C 13 180.734 0.3 . 1 . . . . 15 ALA C . 18113 1 132 . 1 1 15 15 ALA CA C 13 55.000 0.3 . 1 . . . . 15 ALA CA . 18113 1 133 . 1 1 15 15 ALA CB C 13 17.938 0.3 . 1 . . . . 15 ALA CB . 18113 1 134 . 1 1 15 15 ALA N N 15 122.585 0.3 . 1 . . . . 15 ALA N . 18113 1 135 . 1 1 16 16 LEU H H 1 7.665 0.020 . 1 . . . . 16 LEU H . 18113 1 136 . 1 1 16 16 LEU HA H 1 4.199 0.020 . 1 . . . . 16 LEU HA . 18113 1 137 . 1 1 16 16 LEU HB2 H 1 1.896 0.020 . 2 . . . . 16 LEU HB2 . 18113 1 138 . 1 1 16 16 LEU HB3 H 1 1.674 0.020 . 2 . . . . 16 LEU HB3 . 18113 1 139 . 1 1 16 16 LEU HG H 1 1.331 0.020 . 1 . . . . 16 LEU HG . 18113 1 140 . 1 1 16 16 LEU HD11 H 1 0.873 0.020 . 2 . . . . 16 LEU QD1 . 18113 1 141 . 1 1 16 16 LEU HD12 H 1 0.873 0.020 . 2 . . . . 16 LEU QD1 . 18113 1 142 . 1 1 16 16 LEU HD13 H 1 0.873 0.020 . 2 . . . . 16 LEU QD1 . 18113 1 143 . 1 1 16 16 LEU HD21 H 1 0.922 0.020 . 2 . . . . 16 LEU QD2 . 18113 1 144 . 1 1 16 16 LEU HD22 H 1 0.922 0.020 . 2 . . . . 16 LEU QD2 . 18113 1 145 . 1 1 16 16 LEU HD23 H 1 0.922 0.020 . 2 . . . . 16 LEU QD2 . 18113 1 146 . 1 1 16 16 LEU C C 13 178.198 0.3 . 1 . . . . 16 LEU C . 18113 1 147 . 1 1 16 16 LEU CA C 13 57.033 0.3 . 1 . . . . 16 LEU CA . 18113 1 148 . 1 1 16 16 LEU CB C 13 41.421 0.3 . 1 . . . . 16 LEU CB . 18113 1 149 . 1 1 16 16 LEU CG C 13 25.677 0.3 . 1 . . . . 16 LEU CG . 18113 1 150 . 1 1 16 16 LEU CD1 C 13 23.521 0.3 . 1 . . . . 16 LEU CD1 . 18113 1 151 . 1 1 16 16 LEU CD2 C 13 24.098 0.3 . 1 . . . . 16 LEU CD2 . 18113 1 152 . 1 1 16 16 LEU N N 15 120.588 0.3 . 1 . . . . 16 LEU N . 18113 1 153 . 1 1 17 17 ALA H H 1 8.058 0.020 . 1 . . . . 17 ALA H . 18113 1 154 . 1 1 17 17 ALA HA H 1 4.126 0.020 . 1 . . . . 17 ALA HA . 18113 1 155 . 1 1 17 17 ALA HB1 H 1 1.461 0.020 . 1 . . . . 17 ALA QB . 18113 1 156 . 1 1 17 17 ALA HB2 H 1 1.461 0.020 . 1 . . . . 17 ALA QB . 18113 1 157 . 1 1 17 17 ALA HB3 H 1 1.461 0.020 . 1 . . . . 17 ALA QB . 18113 1 158 . 1 1 17 17 ALA C C 13 180.062 0.3 . 1 . . . . 17 ALA C . 18113 1 159 . 1 1 17 17 ALA CA C 13 54.847 0.3 . 1 . . . . 17 ALA CA . 18113 1 160 . 1 1 17 17 ALA CB C 13 18.043 0.3 . 1 . . . . 17 ALA CB . 18113 1 161 . 1 1 17 17 ALA N N 15 122.288 0.3 . 1 . . . . 17 ALA N . 18113 1 162 . 1 1 18 18 ALA H H 1 7.300 0.020 . 1 . . . . 18 ALA H . 18113 1 163 . 1 1 18 18 ALA HA H 1 4.298 0.020 . 1 . . . . 18 ALA HA . 18113 1 164 . 1 1 18 18 ALA HB1 H 1 1.502 0.020 . 1 . . . . 18 ALA QB . 18113 1 165 . 1 1 18 18 ALA HB2 H 1 1.502 0.020 . 1 . . . . 18 ALA QB . 18113 1 166 . 1 1 18 18 ALA HB3 H 1 1.502 0.020 . 1 . . . . 18 ALA QB . 18113 1 167 . 1 1 18 18 ALA C C 13 178.209 0.3 . 1 . . . . 18 ALA C . 18113 1 168 . 1 1 18 18 ALA CA C 13 53.456 0.3 . 1 . . . . 18 ALA CA . 18113 1 169 . 1 1 18 18 ALA CB C 13 18.710 0.3 . 1 . . . . 18 ALA CB . 18113 1 170 . 1 1 18 18 ALA N N 15 116.935 0.3 . 1 . . . . 18 ALA N . 18113 1 171 . 1 1 19 19 CYS H H 1 7.435 0.020 . 1 . . . . 19 CYS H . 18113 1 172 . 1 1 19 19 CYS HA H 1 5.729 0.020 . 1 . . . . 19 CYS HA . 18113 1 173 . 1 1 19 19 CYS HB2 H 1 2.904 0.020 . 2 . . . . 19 CYS HB2 . 18113 1 174 . 1 1 19 19 CYS HB3 H 1 2.783 0.020 . 2 . . . . 19 CYS HB3 . 18113 1 175 . 1 1 19 19 CYS C C 13 174.454 0.3 . 1 . . . . 19 CYS C . 18113 1 176 . 1 1 19 19 CYS CA C 13 55.170 0.3 . 1 . . . . 19 CYS CA . 18113 1 177 . 1 1 19 19 CYS CB C 13 27.769 0.3 . 1 . . . . 19 CYS CB . 18113 1 178 . 1 1 19 19 CYS N N 15 110.384 0.3 . 1 . . . . 19 CYS N . 18113 1 179 . 1 1 20 20 LYS H H 1 7.063 0.020 . 1 . . . . 20 LYS H . 18113 1 180 . 1 1 20 20 LYS HA H 1 4.060 0.020 . 1 . . . . 20 LYS HA . 18113 1 181 . 1 1 20 20 LYS HB2 H 1 1.930 0.020 . 2 . . . . 20 LYS HB2 . 18113 1 182 . 1 1 20 20 LYS HB3 H 1 1.825 0.020 . 2 . . . . 20 LYS HB3 . 18113 1 183 . 1 1 20 20 LYS HG2 H 1 1.494 0.020 . 1 . . . . 20 LYS HG2 . 18113 1 184 . 1 1 20 20 LYS HD2 H 1 1.740 0.020 . 2 . . . . 20 LYS HD2 . 18113 1 185 . 1 1 20 20 LYS HD3 H 1 1.660 0.020 . 2 . . . . 20 LYS HD3 . 18113 1 186 . 1 1 20 20 LYS HE2 H 1 2.966 0.020 . 2 . . . . 20 LYS HE2 . 18113 1 187 . 1 1 20 20 LYS HE3 H 1 2.782 0.020 . 2 . . . . 20 LYS HE3 . 18113 1 188 . 1 1 20 20 LYS C C 13 176.814 0.3 . 1 . . . . 20 LYS C . 18113 1 189 . 1 1 20 20 LYS CA C 13 58.957 0.3 . 1 . . . . 20 LYS CA . 18113 1 190 . 1 1 20 20 LYS CB C 13 31.720 0.3 . 1 . . . . 20 LYS CB . 18113 1 191 . 1 1 20 20 LYS CG C 13 24.395 0.3 . 1 . . . . 20 LYS CG . 18113 1 192 . 1 1 20 20 LYS CD C 13 28.748 0.3 . 1 . . . . 20 LYS CD . 18113 1 193 . 1 1 20 20 LYS CE C 13 41.746 0.3 . 1 . . . . 20 LYS CE . 18113 1 194 . 1 1 20 20 LYS N N 15 123.343 0.3 . 1 . . . . 20 LYS N . 18113 1 195 . 1 1 21 21 ALA H H 1 8.179 0.020 . 1 . . . . 21 ALA H . 18113 1 196 . 1 1 21 21 ALA HA H 1 4.275 0.020 . 1 . . . . 21 ALA HA . 18113 1 197 . 1 1 21 21 ALA HB1 H 1 1.276 0.020 . 1 . . . . 21 ALA QB . 18113 1 198 . 1 1 21 21 ALA HB2 H 1 1.276 0.020 . 1 . . . . 21 ALA QB . 18113 1 199 . 1 1 21 21 ALA HB3 H 1 1.276 0.020 . 1 . . . . 21 ALA QB . 18113 1 200 . 1 1 21 21 ALA C C 13 178.908 0.3 . 1 . . . . 21 ALA C . 18113 1 201 . 1 1 21 21 ALA CA C 13 51.772 0.3 . 1 . . . . 21 ALA CA . 18113 1 202 . 1 1 21 21 ALA CB C 13 18.892 0.3 . 1 . . . . 21 ALA CB . 18113 1 203 . 1 1 21 21 ALA N N 15 119.102 0.3 . 1 . . . . 21 ALA N . 18113 1 204 . 1 1 22 22 GLU H H 1 9.149 0.020 . 1 . . . . 22 GLU H . 18113 1 205 . 1 1 22 22 GLU HA H 1 3.730 0.020 . 1 . . . . 22 GLU HA . 18113 1 206 . 1 1 22 22 GLU HB2 H 1 2.032 0.020 . 2 . . . . 22 GLU HB2 . 18113 1 207 . 1 1 22 22 GLU HB3 H 1 1.891 0.020 . 2 . . . . 22 GLU HB3 . 18113 1 208 . 1 1 22 22 GLU HG2 H 1 2.337 0.020 . 2 . . . . 22 GLU HG2 . 18113 1 209 . 1 1 22 22 GLU HG3 H 1 2.190 0.020 . 2 . . . . 22 GLU HG3 . 18113 1 210 . 1 1 22 22 GLU CA C 13 59.216 0.3 . 1 . . . . 22 GLU CA . 18113 1 211 . 1 1 22 22 GLU CB C 13 28.931 0.3 . 1 . . . . 22 GLU CB . 18113 1 212 . 1 1 22 22 GLU CG C 13 36.551 0.3 . 1 . . . . 22 GLU CG . 18113 1 213 . 1 1 22 22 GLU N N 15 125.733 0.3 . 1 . . . . 22 GLU N . 18113 1 214 . 1 1 23 23 GLY H H 1 8.164 0.020 . 1 . . . . 23 GLY H . 18113 1 215 . 1 1 23 23 GLY HA2 H 1 4.399 0.020 . 2 . . . . 23 GLY HA2 . 18113 1 216 . 1 1 23 23 GLY HA3 H 1 3.660 0.020 . 2 . . . . 23 GLY HA3 . 18113 1 217 . 1 1 23 23 GLY C C 13 174.935 0.3 . 1 . . . . 23 GLY C . 18113 1 218 . 1 1 23 23 GLY CA C 13 45.783 0.3 . 1 . . . . 23 GLY CA . 18113 1 219 . 1 1 23 23 GLY N N 15 114.662 0.3 . 1 . . . . 23 GLY N . 18113 1 220 . 1 1 24 24 SER H H 1 7.782 0.020 . 1 . . . . 24 SER H . 18113 1 221 . 1 1 24 24 SER HA H 1 4.431 0.020 . 1 . . . . 24 SER HA . 18113 1 222 . 1 1 24 24 SER HB2 H 1 4.136 0.020 . 2 . . . . 24 SER HB2 . 18113 1 223 . 1 1 24 24 SER HB3 H 1 3.689 0.020 . 2 . . . . 24 SER HB3 . 18113 1 224 . 1 1 24 24 SER C C 13 175.149 0.3 . 1 . . . . 24 SER C . 18113 1 225 . 1 1 24 24 SER CA C 13 59.020 0.3 . 1 . . . . 24 SER CA . 18113 1 226 . 1 1 24 24 SER CB C 13 64.809 0.3 . 1 . . . . 24 SER CB . 18113 1 227 . 1 1 24 24 SER N N 15 112.832 0.3 . 1 . . . . 24 SER N . 18113 1 228 . 1 1 25 25 PHE H H 1 8.901 0.020 . 1 . . . . 25 PHE H . 18113 1 229 . 1 1 25 25 PHE HA H 1 4.036 0.020 . 1 . . . . 25 PHE HA . 18113 1 230 . 1 1 25 25 PHE HB2 H 1 2.900 0.020 . 2 . . . . 25 PHE HB2 . 18113 1 231 . 1 1 25 25 PHE HB3 H 1 2.744 0.020 . 2 . . . . 25 PHE HB3 . 18113 1 232 . 1 1 25 25 PHE HD1 H 1 7.238 0.020 . 1 . . . . 25 PHE HD1 . 18113 1 233 . 1 1 25 25 PHE HD2 H 1 7.238 0.020 . 1 . . . . 25 PHE HD2 . 18113 1 234 . 1 1 25 25 PHE C C 13 173.035 0.3 . 1 . . . . 25 PHE C . 18113 1 235 . 1 1 25 25 PHE CA C 13 60.592 0.3 . 1 . . . . 25 PHE CA . 18113 1 236 . 1 1 25 25 PHE CB C 13 39.488 0.3 . 1 . . . . 25 PHE CB . 18113 1 237 . 1 1 25 25 PHE CD2 C 13 127.248 0.3 . 1 . . . . 25 PHE CD2 . 18113 1 238 . 1 1 25 25 PHE N N 15 123.821 0.3 . 1 . . . . 25 PHE N . 18113 1 239 . 1 1 26 26 ASP H H 1 6.762 0.020 . 1 . . . . 26 ASP H . 18113 1 240 . 1 1 26 26 ASP HA H 1 4.348 0.020 . 1 . . . . 26 ASP HA . 18113 1 241 . 1 1 26 26 ASP HB2 H 1 2.395 0.020 . 2 . . . . 26 ASP HB2 . 18113 1 242 . 1 1 26 26 ASP HB3 H 1 2.326 0.020 . 2 . . . . 26 ASP HB3 . 18113 1 243 . 1 1 26 26 ASP C C 13 176.243 0.3 . 1 . . . . 26 ASP C . 18113 1 244 . 1 1 26 26 ASP CA C 13 51.767 0.3 . 1 . . . . 26 ASP CA . 18113 1 245 . 1 1 26 26 ASP CB C 13 42.857 0.3 . 1 . . . . 26 ASP CB . 18113 1 246 . 1 1 26 26 ASP N N 15 126.116 0.3 . 1 . . . . 26 ASP N . 18113 1 247 . 1 1 27 27 HIS H H 1 8.600 0.020 . 1 . . . . 27 HIS H . 18113 1 248 . 1 1 27 27 HIS HA H 1 4.238 0.020 . 1 . . . . 27 HIS HA . 18113 1 249 . 1 1 27 27 HIS HB2 H 1 2.007 0.020 . 2 . . . . 27 HIS HB2 . 18113 1 250 . 1 1 27 27 HIS HB3 H 1 1.737 0.020 . 2 . . . . 27 HIS HB3 . 18113 1 251 . 1 1 27 27 HIS HD2 H 1 6.466 0.020 . 1 . . . . 27 HIS HD2 . 18113 1 252 . 1 1 27 27 HIS C C 13 174.454 0.3 . 1 . . . . 27 HIS C . 18113 1 253 . 1 1 27 27 HIS CA C 13 60.043 0.3 . 1 . . . . 27 HIS CA . 18113 1 254 . 1 1 27 27 HIS CB C 13 28.499 0.3 . 1 . . . . 27 HIS CB . 18113 1 255 . 1 1 27 27 HIS CD2 C 13 128.386 0.3 . 1 . . . . 27 HIS CD2 . 18113 1 256 . 1 1 27 27 HIS N N 15 124.875 0.3 . 1 . . . . 27 HIS N . 18113 1 257 . 1 1 28 28 LYS H H 1 6.676 0.020 . 1 . . . . 28 LYS H . 18113 1 258 . 1 1 28 28 LYS HA H 1 3.892 0.020 . 1 . . . . 28 LYS HA . 18113 1 259 . 1 1 28 28 LYS HB2 H 1 2.036 0.020 . 2 . . . . 28 LYS HB2 . 18113 1 260 . 1 1 28 28 LYS HB3 H 1 1.768 0.020 . 2 . . . . 28 LYS HB3 . 18113 1 261 . 1 1 28 28 LYS HG2 H 1 1.426 0.020 . 1 . . . . 28 LYS HG2 . 18113 1 262 . 1 1 28 28 LYS HG3 H 1 1.426 0.020 . 1 . . . . 28 LYS HG3 . 18113 1 263 . 1 1 28 28 LYS HD2 H 1 1.600 0.020 . 2 . . . . 28 LYS HD2 . 18113 1 264 . 1 1 28 28 LYS HD3 H 1 1.569 0.020 . 2 . . . . 28 LYS HD3 . 18113 1 265 . 1 1 28 28 LYS HE2 H 1 2.857 0.020 . 2 . . . . 28 LYS HE2 . 18113 1 266 . 1 1 28 28 LYS HE3 H 1 2.741 0.020 . 2 . . . . 28 LYS HE3 . 18113 1 267 . 1 1 28 28 LYS C C 13 179.517 0.3 . 1 . . . . 28 LYS C . 18113 1 268 . 1 1 28 28 LYS CA C 13 59.274 0.3 . 1 . . . . 28 LYS CA . 18113 1 269 . 1 1 28 28 LYS CB C 13 30.875 0.3 . 1 . . . . 28 LYS CB . 18113 1 270 . 1 1 28 28 LYS CG C 13 25.199 0.3 . 1 . . . . 28 LYS CG . 18113 1 271 . 1 1 28 28 LYS CD C 13 28.298 0.3 . 1 . . . . 28 LYS CD . 18113 1 272 . 1 1 28 28 LYS CE C 13 38.656 0.3 . 1 . . . . 28 LYS CE . 18113 1 273 . 1 1 28 28 LYS N N 15 121.417 0.3 . 1 . . . . 28 LYS N . 18113 1 274 . 1 1 29 29 ALA H H 1 7.419 0.020 . 1 . . . . 29 ALA H . 18113 1 275 . 1 1 29 29 ALA HA H 1 3.957 0.020 . 1 . . . . 29 ALA HA . 18113 1 276 . 1 1 29 29 ALA HB1 H 1 1.226 0.020 . 1 . . . . 29 ALA QB . 18113 1 277 . 1 1 29 29 ALA HB2 H 1 1.226 0.020 . 1 . . . . 29 ALA QB . 18113 1 278 . 1 1 29 29 ALA HB3 H 1 1.226 0.020 . 1 . . . . 29 ALA QB . 18113 1 279 . 1 1 29 29 ALA C C 13 180.318 0.3 . 1 . . . . 29 ALA C . 18113 1 280 . 1 1 29 29 ALA CA C 13 54.379 0.3 . 1 . . . . 29 ALA CA . 18113 1 281 . 1 1 29 29 ALA CB C 13 17.821 0.3 . 1 . . . . 29 ALA CB . 18113 1 282 . 1 1 29 29 ALA N N 15 122.751 0.3 . 1 . . . . 29 ALA N . 18113 1 283 . 1 1 30 30 PHE H H 1 8.009 0.020 . 1 . . . . 30 PHE H . 18113 1 284 . 1 1 30 30 PHE HA H 1 3.975 0.020 . 1 . . . . 30 PHE HA . 18113 1 285 . 1 1 30 30 PHE HB2 H 1 2.713 0.020 . 2 . . . . 30 PHE HB2 . 18113 1 286 . 1 1 30 30 PHE HB3 H 1 2.642 0.020 . 2 . . . . 30 PHE HB3 . 18113 1 287 . 1 1 30 30 PHE HD1 H 1 6.967 0.020 . 1 . . . . 30 PHE HD1 . 18113 1 288 . 1 1 30 30 PHE HE1 H 1 6.552 0.020 . 1 . . . . 30 PHE HE1 . 18113 1 289 . 1 1 30 30 PHE C C 13 177.018 0.3 . 1 . . . . 30 PHE C . 18113 1 290 . 1 1 30 30 PHE CA C 13 62.001 0.3 . 1 . . . . 30 PHE CA . 18113 1 291 . 1 1 30 30 PHE CB C 13 39.181 0.3 . 1 . . . . 30 PHE CB . 18113 1 292 . 1 1 30 30 PHE CD1 C 13 130.412 0.3 . 1 . . . . 30 PHE CD1 . 18113 1 293 . 1 1 30 30 PHE CE1 C 13 128.673 0.3 . 1 . . . . 30 PHE CE1 . 18113 1 294 . 1 1 30 30 PHE CZ C 13 125.807 0.3 . 1 . . . . 30 PHE CZ . 18113 1 295 . 1 1 30 30 PHE N N 15 119.495 0.3 . 1 . . . . 30 PHE N . 18113 1 296 . 1 1 31 31 PHE H H 1 8.971 0.020 . 1 . . . . 31 PHE H . 18113 1 297 . 1 1 31 31 PHE HA H 1 4.495 0.020 . 1 . . . . 31 PHE HA . 18113 1 298 . 1 1 31 31 PHE HB2 H 1 3.126 0.020 . 2 . . . . 31 PHE HB2 . 18113 1 299 . 1 1 31 31 PHE HB3 H 1 3.056 0.020 . 2 . . . . 31 PHE HB3 . 18113 1 300 . 1 1 31 31 PHE HD1 H 1 7.329 0.020 . 1 . . . . 31 PHE HD1 . 18113 1 301 . 1 1 31 31 PHE HE1 H 1 6.047 0.020 . 1 . . . . 31 PHE HE1 . 18113 1 302 . 1 1 31 31 PHE C C 13 179.257 0.3 . 1 . . . . 31 PHE C . 18113 1 303 . 1 1 31 31 PHE CA C 13 59.298 0.3 . 1 . . . . 31 PHE CA . 18113 1 304 . 1 1 31 31 PHE CB C 13 37.667 0.3 . 1 . . . . 31 PHE CB . 18113 1 305 . 1 1 31 31 PHE CD1 C 13 128.436 0.3 . 1 . . . . 31 PHE CD1 . 18113 1 306 . 1 1 31 31 PHE CE1 C 13 128.231 0.3 . 1 . . . . 31 PHE CE1 . 18113 1 307 . 1 1 31 31 PHE CZ C 13 125.661 0.3 . 1 . . . . 31 PHE CZ . 18113 1 308 . 1 1 31 31 PHE N N 15 116.140 0.3 . 1 . . . . 31 PHE N . 18113 1 309 . 1 1 32 32 THR H H 1 8.122 0.020 . 1 . . . . 32 THR H . 18113 1 310 . 1 1 32 32 THR HA H 1 4.125 0.020 . 1 . . . . 32 THR HA . 18113 1 311 . 1 1 32 32 THR HB H 1 3.651 0.020 . 1 . . . . 32 THR HB . 18113 1 312 . 1 1 32 32 THR HG1 H 1 4.392 0.020 . 1 . . . . 32 THR HG1 . 18113 1 313 . 1 1 32 32 THR HG21 H 1 1.130 0.020 . 1 . . . . 32 THR QG2 . 18113 1 314 . 1 1 32 32 THR HG22 H 1 1.130 0.020 . 1 . . . . 32 THR QG2 . 18113 1 315 . 1 1 32 32 THR HG23 H 1 1.130 0.020 . 1 . . . . 32 THR QG2 . 18113 1 316 . 1 1 32 32 THR C C 13 176.802 0.3 . 1 . . . . 32 THR C . 18113 1 317 . 1 1 32 32 THR CA C 13 66.908 0.3 . 1 . . . . 32 THR CA . 18113 1 318 . 1 1 32 32 THR CB C 13 68.104 0.3 . 1 . . . . 32 THR CB . 18113 1 319 . 1 1 32 32 THR N N 15 114.800 0.3 . 1 . . . . 32 THR N . 18113 1 320 . 1 1 33 33 LYS H H 1 8.136 0.020 . 1 . . . . 33 LYS H . 18113 1 321 . 1 1 33 33 LYS HA H 1 3.988 0.020 . 1 . . . . 33 LYS HA . 18113 1 322 . 1 1 33 33 LYS HB2 H 1 1.823 0.020 . 2 . . . . 33 LYS HB2 . 18113 1 323 . 1 1 33 33 LYS HB3 H 1 1.771 0.020 . 2 . . . . 33 LYS HB3 . 18113 1 324 . 1 1 33 33 LYS HG2 H 1 1.307 0.020 . 2 . . . . 33 LYS HG2 . 18113 1 325 . 1 1 33 33 LYS HG3 H 1 1.269 0.020 . 2 . . . . 33 LYS HG3 . 18113 1 326 . 1 1 33 33 LYS HD2 H 1 1.622 0.020 . 2 . . . . 33 LYS HD2 . 18113 1 327 . 1 1 33 33 LYS HD3 H 1 1.592 0.020 . 2 . . . . 33 LYS HD3 . 18113 1 328 . 1 1 33 33 LYS HE2 H 1 2.970 0.020 . 2 . . . . 33 LYS HE2 . 18113 1 329 . 1 1 33 33 LYS HE3 H 1 2.857 0.020 . 2 . . . . 33 LYS HE3 . 18113 1 330 . 1 1 33 33 LYS C C 13 177.658 0.3 . 1 . . . . 33 LYS C . 18113 1 331 . 1 1 33 33 LYS CA C 13 58.319 0.3 . 1 . . . . 33 LYS CA . 18113 1 332 . 1 1 33 33 LYS CB C 13 31.766 0.3 . 1 . . . . 33 LYS CB . 18113 1 333 . 1 1 33 33 LYS CG C 13 24.111 0.3 . 1 . . . . 33 LYS CG . 18113 1 334 . 1 1 33 33 LYS CD C 13 28.407 0.3 . 1 . . . . 33 LYS CD . 18113 1 335 . 1 1 33 33 LYS CE C 13 41.602 0.3 . 1 . . . . 33 LYS CE . 18113 1 336 . 1 1 33 33 LYS N N 15 123.375 0.3 . 1 . . . . 33 LYS N . 18113 1 337 . 1 1 34 34 VAL H H 1 8.159 0.020 . 1 . . . . 34 VAL H . 18113 1 338 . 1 1 34 34 VAL HA H 1 3.853 0.020 . 1 . . . . 34 VAL HA . 18113 1 339 . 1 1 34 34 VAL HB H 1 1.600 0.020 . 1 . . . . 34 VAL HB . 18113 1 340 . 1 1 34 34 VAL HG11 H 1 0.899 0.020 . 2 . . . . 34 VAL QG1 . 18113 1 341 . 1 1 34 34 VAL HG12 H 1 0.899 0.020 . 2 . . . . 34 VAL QG1 . 18113 1 342 . 1 1 34 34 VAL HG13 H 1 0.899 0.020 . 2 . . . . 34 VAL QG1 . 18113 1 343 . 1 1 34 34 VAL HG21 H 1 0.625 0.020 . 2 . . . . 34 VAL QG2 . 18113 1 344 . 1 1 34 34 VAL HG22 H 1 0.625 0.020 . 2 . . . . 34 VAL QG2 . 18113 1 345 . 1 1 34 34 VAL HG23 H 1 0.625 0.020 . 2 . . . . 34 VAL QG2 . 18113 1 346 . 1 1 34 34 VAL C C 13 174.952 0.3 . 1 . . . . 34 VAL C . 18113 1 347 . 1 1 34 34 VAL CA C 13 62.113 0.3 . 1 . . . . 34 VAL CA . 18113 1 348 . 1 1 34 34 VAL CB C 13 31.106 0.3 . 1 . . . . 34 VAL CB . 18113 1 349 . 1 1 34 34 VAL CG1 C 13 22.558 0.3 . 1 . . . . 34 VAL CG1 . 18113 1 350 . 1 1 34 34 VAL CG2 C 13 21.458 0.3 . 1 . . . . 34 VAL CG2 . 18113 1 351 . 1 1 34 34 VAL N N 15 110.198 0.3 . 1 . . . . 34 VAL N . 18113 1 352 . 1 1 35 35 GLY H H 1 7.247 0.020 . 1 . . . . 35 GLY H . 18113 1 353 . 1 1 35 35 GLY HA2 H 1 4.206 0.020 . 2 . . . . 35 GLY HA2 . 18113 1 354 . 1 1 35 35 GLY HA3 H 1 3.892 0.020 . 2 . . . . 35 GLY HA3 . 18113 1 355 . 1 1 35 35 GLY C C 13 175.963 0.3 . 1 . . . . 35 GLY C . 18113 1 356 . 1 1 35 35 GLY CA C 13 45.389 0.3 . 1 . . . . 35 GLY CA . 18113 1 357 . 1 1 35 35 GLY N N 15 105.433 0.3 . 1 . . . . 35 GLY N . 18113 1 358 . 1 1 36 36 LEU H H 1 7.369 0.020 . 1 . . . . 36 LEU H . 18113 1 359 . 1 1 36 36 LEU HA H 1 3.997 0.020 . 1 . . . . 36 LEU HA . 18113 1 360 . 1 1 36 36 LEU HB2 H 1 1.742 0.020 . 2 . . . . 36 LEU HB2 . 18113 1 361 . 1 1 36 36 LEU HB3 H 1 1.567 0.020 . 2 . . . . 36 LEU HB3 . 18113 1 362 . 1 1 36 36 LEU HG H 1 1.230 0.020 . 1 . . . . 36 LEU HG . 18113 1 363 . 1 1 36 36 LEU HD11 H 1 0.926 0.020 . 2 . . . . 36 LEU QD1 . 18113 1 364 . 1 1 36 36 LEU HD12 H 1 0.926 0.020 . 2 . . . . 36 LEU QD1 . 18113 1 365 . 1 1 36 36 LEU HD13 H 1 0.926 0.020 . 2 . . . . 36 LEU QD1 . 18113 1 366 . 1 1 36 36 LEU HD21 H 1 0.970 0.020 . 2 . . . . 36 LEU QD2 . 18113 1 367 . 1 1 36 36 LEU HD22 H 1 0.970 0.020 . 2 . . . . 36 LEU QD2 . 18113 1 368 . 1 1 36 36 LEU HD23 H 1 0.970 0.020 . 2 . . . . 36 LEU QD2 . 18113 1 369 . 1 1 36 36 LEU C C 13 176.355 0.3 . 1 . . . . 36 LEU C . 18113 1 370 . 1 1 36 36 LEU CA C 13 56.984 0.3 . 1 . . . . 36 LEU CA . 18113 1 371 . 1 1 36 36 LEU CB C 13 43.182 0.3 . 1 . . . . 36 LEU CB . 18113 1 372 . 1 1 36 36 LEU CG C 13 24.484 0.3 . 1 . . . . 36 LEU CG . 18113 1 373 . 1 1 36 36 LEU CD1 C 13 25.281 0.3 . 1 . . . . 36 LEU CD1 . 18113 1 374 . 1 1 36 36 LEU CD2 C 13 25.280 0.3 . 1 . . . . 36 LEU CD2 . 18113 1 375 . 1 1 36 36 LEU N N 15 118.829 0.3 . 1 . . . . 36 LEU N . 18113 1 376 . 1 1 37 37 ALA H H 1 7.867 0.020 . 1 . . . . 37 ALA H . 18113 1 377 . 1 1 37 37 ALA HA H 1 3.841 0.020 . 1 . . . . 37 ALA HA . 18113 1 378 . 1 1 37 37 ALA HB1 H 1 1.338 0.020 . 1 . . . . 37 ALA QB . 18113 1 379 . 1 1 37 37 ALA HB2 H 1 1.338 0.020 . 1 . . . . 37 ALA QB . 18113 1 380 . 1 1 37 37 ALA HB3 H 1 1.338 0.020 . 1 . . . . 37 ALA QB . 18113 1 381 . 1 1 37 37 ALA C C 13 177.152 0.3 . 1 . . . . 37 ALA C . 18113 1 382 . 1 1 37 37 ALA CA C 13 54.186 0.3 . 1 . . . . 37 ALA CA . 18113 1 383 . 1 1 37 37 ALA CB C 13 17.385 0.3 . 1 . . . . 37 ALA CB . 18113 1 384 . 1 1 37 37 ALA N N 15 117.065 0.3 . 1 . . . . 37 ALA N . 18113 1 385 . 1 1 38 38 ALA H H 1 7.100 0.020 . 1 . . . . 38 ALA H . 18113 1 386 . 1 1 38 38 ALA HA H 1 4.453 0.020 . 1 . . . . 38 ALA HA . 18113 1 387 . 1 1 38 38 ALA HB1 H 1 1.408 0.020 . 1 . . . . 38 ALA QB . 18113 1 388 . 1 1 38 38 ALA HB2 H 1 1.408 0.020 . 1 . . . . 38 ALA QB . 18113 1 389 . 1 1 38 38 ALA HB3 H 1 1.408 0.020 . 1 . . . . 38 ALA QB . 18113 1 390 . 1 1 38 38 ALA C C 13 177.818 0.3 . 1 . . . . 38 ALA C . 18113 1 391 . 1 1 38 38 ALA CA C 13 51.426 0.3 . 1 . . . . 38 ALA CA . 18113 1 392 . 1 1 38 38 ALA CB C 13 19.417 0.3 . 1 . . . . 38 ALA CB . 18113 1 393 . 1 1 38 38 ALA N N 15 117.272 0.3 . 1 . . . . 38 ALA N . 18113 1 394 . 1 1 39 39 LYS H H 1 7.292 0.020 . 1 . . . . 39 LYS H . 18113 1 395 . 1 1 39 39 LYS HA H 1 4.571 0.020 . 1 . . . . 39 LYS HA . 18113 1 396 . 1 1 39 39 LYS HB2 H 1 2.221 0.020 . 2 . . . . 39 LYS HB2 . 18113 1 397 . 1 1 39 39 LYS HB3 H 1 2.111 0.020 . 2 . . . . 39 LYS HB3 . 18113 1 398 . 1 1 39 39 LYS HG2 H 1 1.358 0.020 . 2 . . . . 39 LYS HG2 . 18113 1 399 . 1 1 39 39 LYS HG3 H 1 1.220 0.020 . 2 . . . . 39 LYS HG3 . 18113 1 400 . 1 1 39 39 LYS HD2 H 1 1.754 0.020 . 2 . . . . 39 LYS HD2 . 18113 1 401 . 1 1 39 39 LYS HD3 H 1 1.700 0.020 . 2 . . . . 39 LYS HD3 . 18113 1 402 . 1 1 39 39 LYS HE2 H 1 2.674 0.020 . 2 . . . . 39 LYS HE2 . 18113 1 403 . 1 1 39 39 LYS HE3 H 1 2.561 0.020 . 2 . . . . 39 LYS HE3 . 18113 1 404 . 1 1 39 39 LYS C C 13 175.768 0.3 . 1 . . . . 39 LYS C . 18113 1 405 . 1 1 39 39 LYS CA C 13 53.547 0.3 . 1 . . . . 39 LYS CA . 18113 1 406 . 1 1 39 39 LYS CB C 13 32.449 0.3 . 1 . . . . 39 LYS CB . 18113 1 407 . 1 1 39 39 LYS CG C 13 24.877 0.3 . 1 . . . . 39 LYS CG . 18113 1 408 . 1 1 39 39 LYS CD C 13 27.219 0.3 . 1 . . . . 39 LYS CD . 18113 1 409 . 1 1 39 39 LYS CE C 13 40.990 0.3 . 1 . . . . 39 LYS CE . 18113 1 410 . 1 1 39 39 LYS N N 15 117.177 0.3 . 1 . . . . 39 LYS N . 18113 1 411 . 1 1 40 40 SER H H 1 9.065 0.020 . 1 . . . . 40 SER H . 18113 1 412 . 1 1 40 40 SER HA H 1 4.445 0.020 . 1 . . . . 40 SER HA . 18113 1 413 . 1 1 40 40 SER HB2 H 1 4.340 0.020 . 2 . . . . 40 SER HB2 . 18113 1 414 . 1 1 40 40 SER HB3 H 1 4.273 0.020 . 2 . . . . 40 SER HB3 . 18113 1 415 . 1 1 40 40 SER C C 13 174.847 0.3 . 1 . . . . 40 SER C . 18113 1 416 . 1 1 40 40 SER CA C 13 57.042 0.3 . 1 . . . . 40 SER CA . 18113 1 417 . 1 1 40 40 SER CB C 13 65.370 0.3 . 1 . . . . 40 SER CB . 18113 1 418 . 1 1 40 40 SER N N 15 115.750 0.3 . 1 . . . . 40 SER N . 18113 1 419 . 1 1 41 41 PRO HA H 1 4.750 0.020 . 1 . . . . 41 PRO HA . 18113 1 420 . 1 1 41 41 PRO HB2 H 1 2.020 0.020 . 2 . . . . 41 PRO HB2 . 18113 1 421 . 1 1 41 41 PRO HB3 H 1 1.970 0.020 . 2 . . . . 41 PRO HB3 . 18113 1 422 . 1 1 41 41 PRO CA C 13 65.950 0.3 . 1 . . . . 41 PRO CA . 18113 1 423 . 1 1 41 41 PRO CB C 13 30.380 0.3 . 1 . . . . 41 PRO CB . 18113 1 424 . 1 1 42 42 ALA H H 1 8.440 0.020 . 1 . . . . 42 ALA H . 18113 1 425 . 1 1 42 42 ALA HA H 1 3.824 0.020 . 1 . . . . 42 ALA HA . 18113 1 426 . 1 1 42 42 ALA HB1 H 1 0.999 0.020 . 1 . . . . 42 ALA QB . 18113 1 427 . 1 1 42 42 ALA HB2 H 1 0.999 0.020 . 1 . . . . 42 ALA QB . 18113 1 428 . 1 1 42 42 ALA HB3 H 1 0.999 0.020 . 1 . . . . 42 ALA QB . 18113 1 429 . 1 1 42 42 ALA C C 13 180.776 0.3 . 1 . . . . 42 ALA C . 18113 1 430 . 1 1 42 42 ALA CA C 13 55.006 0.3 . 1 . . . . 42 ALA CA . 18113 1 431 . 1 1 42 42 ALA CB C 13 18.458 0.3 . 1 . . . . 42 ALA CB . 18113 1 432 . 1 1 42 42 ALA N N 15 120.862 0.3 . 1 . . . . 42 ALA N . 18113 1 433 . 1 1 43 43 ASP H H 1 8.599 0.020 . 1 . . . . 43 ASP H . 18113 1 434 . 1 1 43 43 ASP HA H 1 4.174 0.020 . 1 . . . . 43 ASP HA . 18113 1 435 . 1 1 43 43 ASP HB2 H 1 2.606 0.020 . 2 . . . . 43 ASP HB2 . 18113 1 436 . 1 1 43 43 ASP HB3 H 1 2.523 0.020 . 2 . . . . 43 ASP HB3 . 18113 1 437 . 1 1 43 43 ASP C C 13 180.232 0.3 . 1 . . . . 43 ASP C . 18113 1 438 . 1 1 43 43 ASP CA C 13 57.757 0.3 . 1 . . . . 43 ASP CA . 18113 1 439 . 1 1 43 43 ASP CB C 13 40.814 0.3 . 1 . . . . 43 ASP CB . 18113 1 440 . 1 1 43 43 ASP N N 15 117.844 0.3 . 1 . . . . 43 ASP N . 18113 1 441 . 1 1 44 44 ILE H H 1 8.278 0.020 . 1 . . . . 44 ILE H . 18113 1 442 . 1 1 44 44 ILE HA H 1 3.481 0.020 . 1 . . . . 44 ILE HA . 18113 1 443 . 1 1 44 44 ILE HB H 1 1.920 0.020 . 1 . . . . 44 ILE HB . 18113 1 444 . 1 1 44 44 ILE HG12 H 1 1.579 0.020 . 2 . . . . 44 ILE HG12 . 18113 1 445 . 1 1 44 44 ILE HG13 H 1 1.678 0.020 . 2 . . . . 44 ILE HG13 . 18113 1 446 . 1 1 44 44 ILE HG21 H 1 0.900 0.020 . 1 . . . . 44 ILE QG2 . 18113 1 447 . 1 1 44 44 ILE HG22 H 1 0.900 0.020 . 1 . . . . 44 ILE QG2 . 18113 1 448 . 1 1 44 44 ILE HG23 H 1 0.900 0.020 . 1 . . . . 44 ILE QG2 . 18113 1 449 . 1 1 44 44 ILE HD11 H 1 0.711 0.020 . 1 . . . . 44 ILE QD1 . 18113 1 450 . 1 1 44 44 ILE HD12 H 1 0.711 0.020 . 1 . . . . 44 ILE QD1 . 18113 1 451 . 1 1 44 44 ILE HD13 H 1 0.711 0.020 . 1 . . . . 44 ILE QD1 . 18113 1 452 . 1 1 44 44 ILE C C 13 178.000 0.3 . 1 . . . . 44 ILE C . 18113 1 453 . 1 1 44 44 ILE CA C 13 65.798 0.3 . 1 . . . . 44 ILE CA . 18113 1 454 . 1 1 44 44 ILE CB C 13 37.369 0.3 . 1 . . . . 44 ILE CB . 18113 1 455 . 1 1 44 44 ILE CG1 C 13 26.980 0.3 . 1 . . . . 44 ILE CG1 . 18113 1 456 . 1 1 44 44 ILE CG2 C 13 18.072 0.3 . 1 . . . . 44 ILE CG2 . 18113 1 457 . 1 1 44 44 ILE CD1 C 13 12.932 0.3 . 1 . . . . 44 ILE CD1 . 18113 1 458 . 1 1 44 44 ILE N N 15 120.346 0.3 . 1 . . . . 44 ILE N . 18113 1 459 . 1 1 45 45 LYS H H 1 8.037 0.020 . 1 . . . . 45 LYS H . 18113 1 460 . 1 1 45 45 LYS HA H 1 3.941 0.020 . 1 . . . . 45 LYS HA . 18113 1 461 . 1 1 45 45 LYS HB2 H 1 1.960 0.020 . 2 . . . . 45 LYS HB2 . 18113 1 462 . 1 1 45 45 LYS HB3 H 1 1.864 0.020 . 2 . . . . 45 LYS HB3 . 18113 1 463 . 1 1 45 45 LYS HG2 H 1 0.899 0.020 . 1 . . . . 45 LYS HG2 . 18113 1 464 . 1 1 45 45 LYS HG3 H 1 0.899 0.020 . 1 . . . . 45 LYS HG3 . 18113 1 465 . 1 1 45 45 LYS HD2 H 1 1.613 0.020 . 2 . . . . 45 LYS HD2 . 18113 1 466 . 1 1 45 45 LYS HD3 H 1 1.391 0.020 . 2 . . . . 45 LYS HD3 . 18113 1 467 . 1 1 45 45 LYS HE2 H 1 3.150 0.020 . 2 . . . . 45 LYS HE2 . 18113 1 468 . 1 1 45 45 LYS HE3 H 1 3.104 0.020 . 2 . . . . 45 LYS HE3 . 18113 1 469 . 1 1 45 45 LYS CA C 13 59.365 0.3 . 1 . . . . 45 LYS CA . 18113 1 470 . 1 1 45 45 LYS CB C 13 31.701 0.3 . 1 . . . . 45 LYS CB . 18113 1 471 . 1 1 45 45 LYS CG C 13 24.400 0.3 . 1 . . . . 45 LYS CG . 18113 1 472 . 1 1 45 45 LYS CD C 13 28.750 0.3 . 1 . . . . 45 LYS CD . 18113 1 473 . 1 1 45 45 LYS CE C 13 43.113 0.3 . 1 . . . . 45 LYS CE . 18113 1 474 . 1 1 45 45 LYS N N 15 120.082 0.3 . 1 . . . . 45 LYS N . 18113 1 475 . 1 1 46 46 LYS H H 1 7.393 0.020 . 1 . . . . 46 LYS H . 18113 1 476 . 1 1 46 46 LYS HA H 1 4.103 0.020 . 1 . . . . 46 LYS HA . 18113 1 477 . 1 1 46 46 LYS HB2 H 1 1.937 0.020 . 2 . . . . 46 LYS HB2 . 18113 1 478 . 1 1 46 46 LYS HB3 H 1 1.864 0.020 . 2 . . . . 46 LYS HB3 . 18113 1 479 . 1 1 46 46 LYS HG2 H 1 1.557 0.020 . 2 . . . . 46 LYS HG2 . 18113 1 480 . 1 1 46 46 LYS HG3 H 1 1.413 0.020 . 2 . . . . 46 LYS HG3 . 18113 1 481 . 1 1 46 46 LYS HD2 H 1 1.687 0.020 . 2 . . . . 46 LYS HD2 . 18113 1 482 . 1 1 46 46 LYS HD3 H 1 1.626 0.020 . 2 . . . . 46 LYS HD3 . 18113 1 483 . 1 1 46 46 LYS HE2 H 1 2.971 0.020 . 2 . . . . 46 LYS HE2 . 18113 1 484 . 1 1 46 46 LYS HE3 H 1 2.858 0.020 . 2 . . . . 46 LYS HE3 . 18113 1 485 . 1 1 46 46 LYS C C 13 179.367 0.3 . 1 . . . . 46 LYS C . 18113 1 486 . 1 1 46 46 LYS CA C 13 59.169 0.3 . 1 . . . . 46 LYS CA . 18113 1 487 . 1 1 46 46 LYS CB C 13 31.735 0.3 . 1 . . . . 46 LYS CB . 18113 1 488 . 1 1 46 46 LYS CG C 13 24.821 0.3 . 1 . . . . 46 LYS CG . 18113 1 489 . 1 1 46 46 LYS CD C 13 28.324 0.3 . 1 . . . . 46 LYS CD . 18113 1 490 . 1 1 46 46 LYS CE C 13 41.781 0.3 . 1 . . . . 46 LYS CE . 18113 1 491 . 1 1 46 46 LYS N N 15 118.025 0.3 . 1 . . . . 46 LYS N . 18113 1 492 . 1 1 47 47 VAL H H 1 7.739 0.020 . 1 . . . . 47 VAL H . 18113 1 493 . 1 1 47 47 VAL HA H 1 3.659 0.020 . 1 . . . . 47 VAL HA . 18113 1 494 . 1 1 47 47 VAL HB H 1 2.464 0.020 . 1 . . . . 47 VAL HB . 18113 1 495 . 1 1 47 47 VAL HG11 H 1 0.949 0.020 . 2 . . . . 47 VAL QG1 . 18113 1 496 . 1 1 47 47 VAL HG12 H 1 0.949 0.020 . 2 . . . . 47 VAL QG1 . 18113 1 497 . 1 1 47 47 VAL HG13 H 1 0.949 0.020 . 2 . . . . 47 VAL QG1 . 18113 1 498 . 1 1 47 47 VAL HG21 H 1 0.766 0.020 . 2 . . . . 47 VAL QG2 . 18113 1 499 . 1 1 47 47 VAL HG22 H 1 0.766 0.020 . 2 . . . . 47 VAL QG2 . 18113 1 500 . 1 1 47 47 VAL HG23 H 1 0.766 0.020 . 2 . . . . 47 VAL QG2 . 18113 1 501 . 1 1 47 47 VAL C C 13 177.210 0.3 . 1 . . . . 47 VAL C . 18113 1 502 . 1 1 47 47 VAL CA C 13 66.219 0.3 . 1 . . . . 47 VAL CA . 18113 1 503 . 1 1 47 47 VAL CB C 13 31.469 0.3 . 1 . . . . 47 VAL CB . 18113 1 504 . 1 1 47 47 VAL CG1 C 13 20.597 0.3 . 1 . . . . 47 VAL CG1 . 18113 1 505 . 1 1 47 47 VAL CG2 C 13 20.611 0.3 . 1 . . . . 47 VAL CG2 . 18113 1 506 . 1 1 47 47 VAL N N 15 118.361 0.3 . 1 . . . . 47 VAL N . 18113 1 507 . 1 1 48 48 PHE H H 1 8.685 0.020 . 1 . . . . 48 PHE H . 18113 1 508 . 1 1 48 48 PHE HA H 1 4.116 0.020 . 1 . . . . 48 PHE HA . 18113 1 509 . 1 1 48 48 PHE HB2 H 1 3.137 0.020 . 2 . . . . 48 PHE HB2 . 18113 1 510 . 1 1 48 48 PHE HB3 H 1 3.343 0.020 . 2 . . . . 48 PHE HB3 . 18113 1 511 . 1 1 48 48 PHE HD1 H 1 7.115 0.020 . 1 . . . . 48 PHE HD1 . 18113 1 512 . 1 1 48 48 PHE HE1 H 1 6.864 0.020 . 1 . . . . 48 PHE HE1 . 18113 1 513 . 1 1 48 48 PHE CA C 13 63.021 0.3 . 1 . . . . 48 PHE CA . 18113 1 514 . 1 1 48 48 PHE CB C 13 38.798 0.3 . 1 . . . . 48 PHE CB . 18113 1 515 . 1 1 48 48 PHE CD1 C 13 129.712 0.3 . 1 . . . . 48 PHE CD1 . 18113 1 516 . 1 1 48 48 PHE CE1 C 13 128.159 0.3 . 1 . . . . 48 PHE CE1 . 18113 1 517 . 1 1 48 48 PHE N N 15 121.241 0.3 . 1 . . . . 48 PHE N . 18113 1 518 . 1 1 49 49 GLU H H 1 8.067 0.020 . 1 . . . . 49 GLU H . 18113 1 519 . 1 1 49 49 GLU HA H 1 3.910 0.020 . 1 . . . . 49 GLU HA . 18113 1 520 . 1 1 49 49 GLU HB2 H 1 2.159 0.020 . 2 . . . . 49 GLU HB2 . 18113 1 521 . 1 1 49 49 GLU HB3 H 1 1.944 0.020 . 2 . . . . 49 GLU HB3 . 18113 1 522 . 1 1 49 49 GLU HG2 H 1 2.676 0.020 . 2 . . . . 49 GLU HG2 . 18113 1 523 . 1 1 49 49 GLU HG3 H 1 2.368 0.020 . 2 . . . . 49 GLU HG3 . 18113 1 524 . 1 1 49 49 GLU C C 13 177.568 0.3 . 1 . . . . 49 GLU C . 18113 1 525 . 1 1 49 49 GLU CA C 13 58.670 0.3 . 1 . . . . 49 GLU CA . 18113 1 526 . 1 1 49 49 GLU CB C 13 29.857 0.3 . 1 . . . . 49 GLU CB . 18113 1 527 . 1 1 49 49 GLU CG C 13 36.496 0.3 . 1 . . . . 49 GLU CG . 18113 1 528 . 1 1 49 49 GLU N N 15 113.952 0.3 . 1 . . . . 49 GLU N . 18113 1 529 . 1 1 50 50 ILE H H 1 7.119 0.020 . 1 . . . . 50 ILE H . 18113 1 530 . 1 1 50 50 ILE HA H 1 3.568 0.020 . 1 . . . . 50 ILE HA . 18113 1 531 . 1 1 50 50 ILE HB H 1 1.938 0.020 . 1 . . . . 50 ILE HB . 18113 1 532 . 1 1 50 50 ILE HG21 H 1 0.596 0.020 . 1 . . . . 50 ILE QG2 . 18113 1 533 . 1 1 50 50 ILE HG22 H 1 0.596 0.020 . 1 . . . . 50 ILE QG2 . 18113 1 534 . 1 1 50 50 ILE HG23 H 1 0.596 0.020 . 1 . . . . 50 ILE QG2 . 18113 1 535 . 1 1 50 50 ILE HD11 H 1 0.568 0.020 . 1 . . . . 50 ILE QD1 . 18113 1 536 . 1 1 50 50 ILE HD12 H 1 0.568 0.020 . 1 . . . . 50 ILE QD1 . 18113 1 537 . 1 1 50 50 ILE HD13 H 1 0.568 0.020 . 1 . . . . 50 ILE QD1 . 18113 1 538 . 1 1 50 50 ILE C C 13 176.409 0.3 . 1 . . . . 50 ILE C . 18113 1 539 . 1 1 50 50 ILE CA C 13 62.959 0.3 . 1 . . . . 50 ILE CA . 18113 1 540 . 1 1 50 50 ILE CB C 13 37.416 0.3 . 1 . . . . 50 ILE CB . 18113 1 541 . 1 1 50 50 ILE CG1 C 13 30.683 0.3 . 1 . . . . 50 ILE CG1 . 18113 1 542 . 1 1 50 50 ILE CG2 C 13 17.205 0.3 . 1 . . . . 50 ILE CG2 . 18113 1 543 . 1 1 50 50 ILE CD1 C 13 12.263 0.3 . 1 . . . . 50 ILE CD1 . 18113 1 544 . 1 1 50 50 ILE N N 15 117.143 0.3 . 1 . . . . 50 ILE N . 18113 1 545 . 1 1 51 51 ILE H H 1 7.266 0.020 . 1 . . . . 51 ILE H . 18113 1 546 . 1 1 51 51 ILE HA H 1 3.619 0.020 . 1 . . . . 51 ILE HA . 18113 1 547 . 1 1 51 51 ILE HB H 1 1.579 0.020 . 1 . . . . 51 ILE HB . 18113 1 548 . 1 1 51 51 ILE HG13 H 1 1.330 0.020 . 1 . . . . 51 ILE HG13 . 18113 1 549 . 1 1 51 51 ILE HD11 H 1 0.673 0.020 . 1 . . . . 51 ILE QD1 . 18113 1 550 . 1 1 51 51 ILE HD12 H 1 0.673 0.020 . 1 . . . . 51 ILE QD1 . 18113 1 551 . 1 1 51 51 ILE HD13 H 1 0.673 0.020 . 1 . . . . 51 ILE QD1 . 18113 1 552 . 1 1 51 51 ILE C C 13 177.533 0.3 . 1 . . . . 51 ILE C . 18113 1 553 . 1 1 51 51 ILE CA C 13 62.488 0.3 . 1 . . . . 51 ILE CA . 18113 1 554 . 1 1 51 51 ILE CB C 13 36.297 0.3 . 1 . . . . 51 ILE CB . 18113 1 555 . 1 1 51 51 ILE CD1 C 13 13.452 0.3 . 1 . . . . 51 ILE CD1 . 18113 1 556 . 1 1 51 51 ILE N N 15 115.973 0.3 . 1 . . . . 51 ILE N . 18113 1 557 . 1 1 52 52 ASP H H 1 7.499 0.020 . 1 . . . . 52 ASP H . 18113 1 558 . 1 1 52 52 ASP HA H 1 4.487 0.020 . 1 . . . . 52 ASP HA . 18113 1 559 . 1 1 52 52 ASP HB2 H 1 2.408 0.020 . 1 . . . . 52 ASP HB2 . 18113 1 560 . 1 1 52 52 ASP C C 13 176.581 0.3 . 1 . . . . 52 ASP C . 18113 1 561 . 1 1 52 52 ASP CA C 13 51.199 0.3 . 1 . . . . 52 ASP CA . 18113 1 562 . 1 1 52 52 ASP CB C 13 37.573 0.3 . 1 . . . . 52 ASP CB . 18113 1 563 . 1 1 52 52 ASP N N 15 118.112 0.3 . 1 . . . . 52 ASP N . 18113 1 564 . 1 1 53 53 GLN H H 1 7.458 0.020 . 1 . . . . 53 GLN H . 18113 1 565 . 1 1 53 53 GLN HA H 1 3.812 0.020 . 1 . . . . 53 GLN HA . 18113 1 566 . 1 1 53 53 GLN HB2 H 1 2.139 0.020 . 2 . . . . 53 GLN HB2 . 18113 1 567 . 1 1 53 53 GLN HB3 H 1 1.874 0.020 . 2 . . . . 53 GLN HB3 . 18113 1 568 . 1 1 53 53 GLN HG2 H 1 2.313 0.020 . 2 . . . . 53 GLN HG2 . 18113 1 569 . 1 1 53 53 GLN HG3 H 1 2.252 0.020 . 2 . . . . 53 GLN HG3 . 18113 1 570 . 1 1 53 53 GLN C C 13 177.526 0.3 . 1 . . . . 53 GLN C . 18113 1 571 . 1 1 53 53 GLN CA C 13 59.305 0.3 . 1 . . . . 53 GLN CA . 18113 1 572 . 1 1 53 53 GLN CB C 13 29.229 0.3 . 1 . . . . 53 GLN CB . 18113 1 573 . 1 1 53 53 GLN CG C 13 36.129 0.3 . 1 . . . . 53 GLN CG . 18113 1 574 . 1 1 53 53 GLN N N 15 125.703 0.3 . 1 . . . . 53 GLN N . 18113 1 575 . 1 1 54 54 ASP H H 1 8.288 0.020 . 1 . . . . 54 ASP H . 18113 1 576 . 1 1 54 54 ASP HA H 1 4.545 0.020 . 1 . . . . 54 ASP HA . 18113 1 577 . 1 1 54 54 ASP HB2 H 1 3.020 0.020 . 2 . . . . 54 ASP HB2 . 18113 1 578 . 1 1 54 54 ASP HB3 H 1 2.662 0.020 . 2 . . . . 54 ASP HB3 . 18113 1 579 . 1 1 54 54 ASP C C 13 175.960 0.3 . 1 . . . . 54 ASP C . 18113 1 580 . 1 1 54 54 ASP CA C 13 52.556 0.3 . 1 . . . . 54 ASP CA . 18113 1 581 . 1 1 54 54 ASP CB C 13 39.467 0.3 . 1 . . . . 54 ASP CB . 18113 1 582 . 1 1 54 54 ASP N N 15 114.543 0.3 . 1 . . . . 54 ASP N . 18113 1 583 . 1 1 55 55 LYS H H 1 7.847 0.020 . 1 . . . . 55 LYS H . 18113 1 584 . 1 1 55 55 LYS HA H 1 3.995 0.020 . 1 . . . . 55 LYS HA . 18113 1 585 . 1 1 55 55 LYS HB2 H 1 1.989 0.020 . 2 . . . . 55 LYS HB2 . 18113 1 586 . 1 1 55 55 LYS HB3 H 1 1.827 0.020 . 2 . . . . 55 LYS HB3 . 18113 1 587 . 1 1 55 55 LYS HG2 H 1 1.393 0.020 . 2 . . . . 55 LYS HG2 . 18113 1 588 . 1 1 55 55 LYS HG3 H 1 1.619 0.020 . 2 . . . . 55 LYS HG3 . 18113 1 589 . 1 1 55 55 LYS HD2 H 1 1.793 0.020 . 2 . . . . 55 LYS HD2 . 18113 1 590 . 1 1 55 55 LYS HD3 H 1 1.750 0.020 . 2 . . . . 55 LYS HD3 . 18113 1 591 . 1 1 55 55 LYS HE2 H 1 2.982 0.020 . 2 . . . . 55 LYS HE2 . 18113 1 592 . 1 1 55 55 LYS HE3 H 1 2.909 0.020 . 2 . . . . 55 LYS HE3 . 18113 1 593 . 1 1 55 55 LYS C C 13 176.134 0.3 . 1 . . . . 55 LYS C . 18113 1 594 . 1 1 55 55 LYS CA C 13 56.397 0.3 . 1 . . . . 55 LYS CA . 18113 1 595 . 1 1 55 55 LYS CB C 13 28.025 0.3 . 1 . . . . 55 LYS CB . 18113 1 596 . 1 1 55 55 LYS CG C 13 24.917 0.3 . 1 . . . . 55 LYS CG . 18113 1 597 . 1 1 55 55 LYS CD C 13 25.951 0.3 . 1 . . . . 55 LYS CD . 18113 1 598 . 1 1 55 55 LYS CE C 13 41.910 0.3 . 1 . . . . 55 LYS CE . 18113 1 599 . 1 1 55 55 LYS N N 15 116.545 0.3 . 1 . . . . 55 LYS N . 18113 1 600 . 1 1 56 56 SER H H 1 8.950 0.020 . 1 . . . . 56 SER H . 18113 1 601 . 1 1 56 56 SER HA H 1 4.358 0.020 . 1 . . . . 56 SER HA . 18113 1 602 . 1 1 56 56 SER HB2 H 1 4.282 0.020 . 2 . . . . 56 SER HB2 . 18113 1 603 . 1 1 56 56 SER HB3 H 1 4.097 0.020 . 2 . . . . 56 SER HB3 . 18113 1 604 . 1 1 56 56 SER CA C 13 58.919 0.3 . 1 . . . . 56 SER CA . 18113 1 605 . 1 1 56 56 SER CB C 13 65.076 0.3 . 1 . . . . 56 SER CB . 18113 1 606 . 1 1 56 56 SER N N 15 117.073 0.3 . 1 . . . . 56 SER N . 18113 1 607 . 1 1 57 57 ASP H H 1 10.006 0.020 . 1 . . . . 57 ASP H . 18113 1 608 . 1 1 57 57 ASP HA H 1 4.052 0.020 . 1 . . . . 57 ASP HA . 18113 1 609 . 1 1 57 57 ASP HB2 H 1 3.071 0.020 . 2 . . . . 57 ASP HB2 . 18113 1 610 . 1 1 57 57 ASP HB3 H 1 2.545 0.020 . 2 . . . . 57 ASP HB3 . 18113 1 611 . 1 1 57 57 ASP C C 13 179.954 0.3 . 1 . . . . 57 ASP C . 18113 1 612 . 1 1 57 57 ASP CA C 13 57.215 0.3 . 1 . . . . 57 ASP CA . 18113 1 613 . 1 1 57 57 ASP CB C 13 39.071 0.3 . 1 . . . . 57 ASP CB . 18113 1 614 . 1 1 57 57 ASP N N 15 118.186 0.3 . 1 . . . . 57 ASP N . 18113 1 615 . 1 1 58 58 PHE H H 1 7.903 0.020 . 1 . . . . 58 PHE H . 18113 1 616 . 1 1 58 58 PHE HA H 1 5.086 0.020 . 1 . . . . 58 PHE HA . 18113 1 617 . 1 1 58 58 PHE HB2 H 1 2.834 0.020 . 2 . . . . 58 PHE HB2 . 18113 1 618 . 1 1 58 58 PHE HB3 H 1 2.415 0.020 . 2 . . . . 58 PHE HB3 . 18113 1 619 . 1 1 58 58 PHE HD1 H 1 6.950 0.020 . 1 . . . . 58 PHE HD1 . 18113 1 620 . 1 1 58 58 PHE HE1 H 1 6.753 0.020 . 1 . . . . 58 PHE HE1 . 18113 1 621 . 1 1 58 58 PHE C C 13 173.878 0.3 . 1 . . . . 58 PHE C . 18113 1 622 . 1 1 58 58 PHE CA C 13 56.485 0.3 . 1 . . . . 58 PHE CA . 18113 1 623 . 1 1 58 58 PHE CB C 13 44.232 0.3 . 1 . . . . 58 PHE CB . 18113 1 624 . 1 1 58 58 PHE CD1 C 13 130.077 0.3 . 1 . . . . 58 PHE CD1 . 18113 1 625 . 1 1 58 58 PHE CE1 C 13 127.297 0.3 . 1 . . . . 58 PHE CE1 . 18113 1 626 . 1 1 58 58 PHE N N 15 111.965 0.3 . 1 . . . . 58 PHE N . 18113 1 627 . 1 1 59 59 VAL H H 1 9.950 0.020 . 1 . . . . 59 VAL H . 18113 1 628 . 1 1 59 59 VAL HA H 1 4.785 0.020 . 1 . . . . 59 VAL HA . 18113 1 629 . 1 1 59 59 VAL HB H 1 1.859 0.020 . 1 . . . . 59 VAL HB . 18113 1 630 . 1 1 59 59 VAL HG11 H 1 0.129 0.020 . 2 . . . . 59 VAL QG1 . 18113 1 631 . 1 1 59 59 VAL HG12 H 1 0.129 0.020 . 2 . . . . 59 VAL QG1 . 18113 1 632 . 1 1 59 59 VAL HG13 H 1 0.129 0.020 . 2 . . . . 59 VAL QG1 . 18113 1 633 . 1 1 59 59 VAL HG21 H 1 0.678 0.020 . 2 . . . . 59 VAL QG2 . 18113 1 634 . 1 1 59 59 VAL HG22 H 1 0.678 0.020 . 2 . . . . 59 VAL QG2 . 18113 1 635 . 1 1 59 59 VAL HG23 H 1 0.678 0.020 . 2 . . . . 59 VAL QG2 . 18113 1 636 . 1 1 59 59 VAL C C 13 176.193 0.3 . 1 . . . . 59 VAL C . 18113 1 637 . 1 1 59 59 VAL CA C 13 61.091 0.3 . 1 . . . . 59 VAL CA . 18113 1 638 . 1 1 59 59 VAL CB C 13 31.157 0.3 . 1 . . . . 59 VAL CB . 18113 1 639 . 1 1 59 59 VAL CG1 C 13 22.175 0.3 . 1 . . . . 59 VAL CG1 . 18113 1 640 . 1 1 59 59 VAL CG2 C 13 21.970 0.3 . 1 . . . . 59 VAL CG2 . 18113 1 641 . 1 1 59 59 VAL N N 15 126.597 0.3 . 1 . . . . 59 VAL N . 18113 1 642 . 1 1 60 60 GLU H H 1 7.579 0.020 . 1 . . . . 60 GLU H . 18113 1 643 . 1 1 60 60 GLU HA H 1 4.439 0.020 . 1 . . . . 60 GLU HA . 18113 1 644 . 1 1 60 60 GLU HB2 H 1 2.569 0.020 . 2 . . . . 60 GLU HB2 . 18113 1 645 . 1 1 60 60 GLU HB3 H 1 2.525 0.020 . 2 . . . . 60 GLU HB3 . 18113 1 646 . 1 1 60 60 GLU HG2 H 1 2.084 0.020 . 2 . . . . 60 GLU HG2 . 18113 1 647 . 1 1 60 60 GLU HG3 H 1 2.017 0.020 . 2 . . . . 60 GLU HG3 . 18113 1 648 . 1 1 60 60 GLU C C 13 177.177 0.3 . 1 . . . . 60 GLU C . 18113 1 649 . 1 1 60 60 GLU CA C 13 57.092 0.3 . 1 . . . . 60 GLU CA . 18113 1 650 . 1 1 60 60 GLU CB C 13 29.044 0.3 . 1 . . . . 60 GLU CB . 18113 1 651 . 1 1 60 60 GLU CG C 13 36.486 0.3 . 1 . . . . 60 GLU CG . 18113 1 652 . 1 1 60 60 GLU N N 15 125.827 0.3 . 1 . . . . 60 GLU N . 18113 1 653 . 1 1 61 61 GLU H H 1 9.430 0.020 . 1 . . . . 61 GLU H . 18113 1 654 . 1 1 61 61 GLU HA H 1 3.528 0.020 . 1 . . . . 61 GLU HA . 18113 1 655 . 1 1 61 61 GLU HB2 H 1 2.033 0.020 . 2 . . . . 61 GLU HB2 . 18113 1 656 . 1 1 61 61 GLU HB3 H 1 1.988 0.020 . 2 . . . . 61 GLU HB3 . 18113 1 657 . 1 1 61 61 GLU HG2 H 1 2.239 0.020 . 2 . . . . 61 GLU HG2 . 18113 1 658 . 1 1 61 61 GLU HG3 H 1 2.192 0.020 . 2 . . . . 61 GLU HG3 . 18113 1 659 . 1 1 61 61 GLU CA C 13 61.313 0.3 . 1 . . . . 61 GLU CA . 18113 1 660 . 1 1 61 61 GLU CB C 13 28.996 0.3 . 1 . . . . 61 GLU CB . 18113 1 661 . 1 1 61 61 GLU CG C 13 36.149 0.3 . 1 . . . . 61 GLU CG . 18113 1 662 . 1 1 61 61 GLU N N 15 122.421 0.3 . 1 . . . . 61 GLU N . 18113 1 663 . 1 1 62 62 ASP H H 1 8.733 0.020 . 1 . . . . 62 ASP H . 18113 1 664 . 1 1 62 62 ASP HA H 1 4.270 0.020 . 1 . . . . 62 ASP HA . 18113 1 665 . 1 1 62 62 ASP HB2 H 1 2.677 0.020 . 2 . . . . 62 ASP HB2 . 18113 1 666 . 1 1 62 62 ASP HB3 H 1 2.572 0.020 . 2 . . . . 62 ASP HB3 . 18113 1 667 . 1 1 62 62 ASP C C 13 178.385 0.3 . 1 . . . . 62 ASP C . 18113 1 668 . 1 1 62 62 ASP CA C 13 57.037 0.3 . 1 . . . . 62 ASP CA . 18113 1 669 . 1 1 62 62 ASP CB C 13 40.009 0.3 . 1 . . . . 62 ASP CB . 18113 1 670 . 1 1 62 62 ASP N N 15 114.991 0.3 . 1 . . . . 62 ASP N . 18113 1 671 . 1 1 63 63 GLU H H 1 7.104 0.020 . 1 . . . . 63 GLU H . 18113 1 672 . 1 1 63 63 GLU HA H 1 3.709 0.020 . 1 . . . . 63 GLU HA . 18113 1 673 . 1 1 63 63 GLU HB2 H 1 2.016 0.020 . 2 . . . . 63 GLU HB2 . 18113 1 674 . 1 1 63 63 GLU HB3 H 1 1.863 0.020 . 2 . . . . 63 GLU HB3 . 18113 1 675 . 1 1 63 63 GLU HG2 H 1 2.316 0.020 . 2 . . . . 63 GLU HG2 . 18113 1 676 . 1 1 63 63 GLU HG3 H 1 2.090 0.020 . 2 . . . . 63 GLU HG3 . 18113 1 677 . 1 1 63 63 GLU C C 13 179.901 0.3 . 1 . . . . 63 GLU C . 18113 1 678 . 1 1 63 63 GLU CA C 13 57.305 0.3 . 1 . . . . 63 GLU CA . 18113 1 679 . 1 1 63 63 GLU CB C 13 30.119 0.3 . 1 . . . . 63 GLU CB . 18113 1 680 . 1 1 63 63 GLU CG C 13 36.734 0.3 . 1 . . . . 63 GLU CG . 18113 1 681 . 1 1 63 63 GLU N N 15 117.773 0.3 . 1 . . . . 63 GLU N . 18113 1 682 . 1 1 64 64 LEU H H 1 8.091 0.020 . 1 . . . . 64 LEU H . 18113 1 683 . 1 1 64 64 LEU HA H 1 3.834 0.020 . 1 . . . . 64 LEU HA . 18113 1 684 . 1 1 64 64 LEU HB2 H 1 1.543 0.020 . 2 . . . . 64 LEU HB2 . 18113 1 685 . 1 1 64 64 LEU HB3 H 1 1.455 0.020 . 2 . . . . 64 LEU HB3 . 18113 1 686 . 1 1 64 64 LEU HG H 1 1.935 0.020 . 1 . . . . 64 LEU HG . 18113 1 687 . 1 1 64 64 LEU HD11 H 1 0.720 0.020 . 2 . . . . 64 LEU QD1 . 18113 1 688 . 1 1 64 64 LEU HD12 H 1 0.720 0.020 . 2 . . . . 64 LEU QD1 . 18113 1 689 . 1 1 64 64 LEU HD13 H 1 0.720 0.020 . 2 . . . . 64 LEU QD1 . 18113 1 690 . 1 1 64 64 LEU HD21 H 1 0.995 0.020 . 2 . . . . 64 LEU QD2 . 18113 1 691 . 1 1 64 64 LEU HD22 H 1 0.995 0.020 . 2 . . . . 64 LEU QD2 . 18113 1 692 . 1 1 64 64 LEU HD23 H 1 0.995 0.020 . 2 . . . . 64 LEU QD2 . 18113 1 693 . 1 1 64 64 LEU C C 13 178.748 0.3 . 1 . . . . 64 LEU C . 18113 1 694 . 1 1 64 64 LEU CA C 13 55.981 0.3 . 1 . . . . 64 LEU CA . 18113 1 695 . 1 1 64 64 LEU CB C 13 41.173 0.3 . 1 . . . . 64 LEU CB . 18113 1 696 . 1 1 64 64 LEU CG C 13 25.846 0.3 . 1 . . . . 64 LEU CG . 18113 1 697 . 1 1 64 64 LEU CD1 C 13 23.028 0.3 . 1 . . . . 64 LEU CD1 . 18113 1 698 . 1 1 64 64 LEU CD2 C 13 24.573 0.3 . 1 . . . . 64 LEU CD2 . 18113 1 699 . 1 1 64 64 LEU N N 15 121.928 0.3 . 1 . . . . 64 LEU N . 18113 1 700 . 1 1 65 65 LYS H H 1 7.918 0.020 . 1 . . . . 65 LYS H . 18113 1 701 . 1 1 65 65 LYS HA H 1 4.106 0.020 . 1 . . . . 65 LYS HA . 18113 1 702 . 1 1 65 65 LYS HB2 H 1 1.935 0.020 . 2 . . . . 65 LYS HB2 . 18113 1 703 . 1 1 65 65 LYS HB3 H 1 1.873 0.020 . 2 . . . . 65 LYS HB3 . 18113 1 704 . 1 1 65 65 LYS HG2 H 1 1.426 0.020 . 2 . . . . 65 LYS HG2 . 18113 1 705 . 1 1 65 65 LYS HG3 H 1 1.349 0.020 . 2 . . . . 65 LYS HG3 . 18113 1 706 . 1 1 65 65 LYS HD2 H 1 1.776 0.020 . 2 . . . . 65 LYS HD2 . 18113 1 707 . 1 1 65 65 LYS HD3 H 1 1.723 0.020 . 2 . . . . 65 LYS HD3 . 18113 1 708 . 1 1 65 65 LYS HE2 H 1 2.984 0.020 . 2 . . . . 65 LYS HE2 . 18113 1 709 . 1 1 65 65 LYS HE3 H 1 2.953 0.020 . 2 . . . . 65 LYS HE3 . 18113 1 710 . 1 1 65 65 LYS C C 13 178.748 0.3 . 1 . . . . 65 LYS C . 18113 1 711 . 1 1 65 65 LYS CA C 13 59.251 0.3 . 1 . . . . 65 LYS CA . 18113 1 712 . 1 1 65 65 LYS CB C 13 32.168 0.3 . 1 . . . . 65 LYS CB . 18113 1 713 . 1 1 65 65 LYS CG C 13 24.289 0.3 . 1 . . . . 65 LYS CG . 18113 1 714 . 1 1 65 65 LYS CD C 13 28.617 0.3 . 1 . . . . 65 LYS CD . 18113 1 715 . 1 1 65 65 LYS CE C 13 42.679 0.3 . 1 . . . . 65 LYS CE . 18113 1 716 . 1 1 65 65 LYS N N 15 118.022 0.3 . 1 . . . . 65 LYS N . 18113 1 717 . 1 1 66 66 LEU H H 1 6.929 0.020 . 1 . . . . 66 LEU H . 18113 1 718 . 1 1 66 66 LEU HA H 1 4.427 0.020 . 1 . . . . 66 LEU HA . 18113 1 719 . 1 1 66 66 LEU HB2 H 1 1.767 0.020 . 2 . . . . 66 LEU HB2 . 18113 1 720 . 1 1 66 66 LEU HB3 H 1 1.606 0.020 . 2 . . . . 66 LEU HB3 . 18113 1 721 . 1 1 66 66 LEU HG H 1 1.917 0.020 . 1 . . . . 66 LEU HG . 18113 1 722 . 1 1 66 66 LEU HD11 H 1 0.727 0.020 . 2 . . . . 66 LEU QD1 . 18113 1 723 . 1 1 66 66 LEU HD12 H 1 0.727 0.020 . 2 . . . . 66 LEU QD1 . 18113 1 724 . 1 1 66 66 LEU HD13 H 1 0.727 0.020 . 2 . . . . 66 LEU QD1 . 18113 1 725 . 1 1 66 66 LEU HD21 H 1 0.894 0.020 . 2 . . . . 66 LEU QD2 . 18113 1 726 . 1 1 66 66 LEU HD22 H 1 0.894 0.020 . 2 . . . . 66 LEU QD2 . 18113 1 727 . 1 1 66 66 LEU HD23 H 1 0.894 0.020 . 2 . . . . 66 LEU QD2 . 18113 1 728 . 1 1 66 66 LEU C C 13 176.889 0.3 . 1 . . . . 66 LEU C . 18113 1 729 . 1 1 66 66 LEU CA C 13 53.945 0.3 . 1 . . . . 66 LEU CA . 18113 1 730 . 1 1 66 66 LEU CB C 13 42.323 0.3 . 1 . . . . 66 LEU CB . 18113 1 731 . 1 1 66 66 LEU CG C 13 26.615 0.3 . 1 . . . . 66 LEU CG . 18113 1 732 . 1 1 66 66 LEU CD1 C 13 25.751 0.3 . 1 . . . . 66 LEU CD1 . 18113 1 733 . 1 1 66 66 LEU CD2 C 13 25.160 0.3 . 1 . . . . 66 LEU CD2 . 18113 1 734 . 1 1 66 66 LEU N N 15 115.892 0.3 . 1 . . . . 66 LEU N . 18113 1 735 . 1 1 67 67 PHE H H 1 7.706 0.020 . 1 . . . . 67 PHE H . 18113 1 736 . 1 1 67 67 PHE HA H 1 3.834 0.020 . 1 . . . . 67 PHE HA . 18113 1 737 . 1 1 67 67 PHE HB2 H 1 2.598 0.020 . 2 . . . . 67 PHE HB2 . 18113 1 738 . 1 1 67 67 PHE HB3 H 1 2.579 0.020 . 2 . . . . 67 PHE HB3 . 18113 1 739 . 1 1 67 67 PHE HD1 H 1 7.284 0.020 . 1 . . . . 67 PHE HD1 . 18113 1 740 . 1 1 67 67 PHE HE1 H 1 6.960 0.020 . 1 . . . . 67 PHE HE1 . 18113 1 741 . 1 1 67 67 PHE C C 13 178.011 0.3 . 1 . . . . 67 PHE C . 18113 1 742 . 1 1 67 67 PHE CA C 13 62.659 0.3 . 1 . . . . 67 PHE CA . 18113 1 743 . 1 1 67 67 PHE CB C 13 42.211 0.3 . 1 . . . . 67 PHE CB . 18113 1 744 . 1 1 67 67 PHE CD1 C 13 127.592 0.3 . 1 . . . . 67 PHE CD1 . 18113 1 745 . 1 1 67 67 PHE CE1 C 13 129.750 0.3 . 1 . . . . 67 PHE CE1 . 18113 1 746 . 1 1 67 67 PHE N N 15 118.855 0.3 . 1 . . . . 67 PHE N . 18113 1 747 . 1 1 68 68 LEU H H 1 9.335 0.020 . 1 . . . . 68 LEU H . 18113 1 748 . 1 1 68 68 LEU HA H 1 3.815 0.020 . 1 . . . . 68 LEU HA . 18113 1 749 . 1 1 68 68 LEU HB2 H 1 1.512 0.020 . 2 . . . . 68 LEU HB2 . 18113 1 750 . 1 1 68 68 LEU HB3 H 1 1.466 0.020 . 2 . . . . 68 LEU HB3 . 18113 1 751 . 1 1 68 68 LEU HG H 1 1.217 0.020 . 1 . . . . 68 LEU HG . 18113 1 752 . 1 1 68 68 LEU HD11 H 1 0.731 0.020 . 2 . . . . 68 LEU QD1 . 18113 1 753 . 1 1 68 68 LEU HD12 H 1 0.731 0.020 . 2 . . . . 68 LEU QD1 . 18113 1 754 . 1 1 68 68 LEU HD13 H 1 0.731 0.020 . 2 . . . . 68 LEU QD1 . 18113 1 755 . 1 1 68 68 LEU HD21 H 1 0.999 0.020 . 2 . . . . 68 LEU QD2 . 18113 1 756 . 1 1 68 68 LEU HD22 H 1 0.999 0.020 . 2 . . . . 68 LEU QD2 . 18113 1 757 . 1 1 68 68 LEU HD23 H 1 0.999 0.020 . 2 . . . . 68 LEU QD2 . 18113 1 758 . 1 1 68 68 LEU C C 13 179.922 0.3 . 1 . . . . 68 LEU C . 18113 1 759 . 1 1 68 68 LEU CA C 13 57.280 0.3 . 1 . . . . 68 LEU CA . 18113 1 760 . 1 1 68 68 LEU CB C 13 41.393 0.3 . 1 . . . . 68 LEU CB . 18113 1 761 . 1 1 68 68 LEU CG C 13 29.482 0.3 . 1 . . . . 68 LEU CG . 18113 1 762 . 1 1 68 68 LEU CD1 C 13 26.007 0.3 . 1 . . . . 68 LEU CD1 . 18113 1 763 . 1 1 68 68 LEU CD2 C 13 22.189 0.3 . 1 . . . . 68 LEU CD2 . 18113 1 764 . 1 1 68 68 LEU N N 15 113.779 0.3 . 1 . . . . 68 LEU N . 18113 1 765 . 1 1 69 69 GLN H H 1 7.650 0.020 . 1 . . . . 69 GLN H . 18113 1 766 . 1 1 69 69 GLN HA H 1 4.541 0.020 . 1 . . . . 69 GLN HA . 18113 1 767 . 1 1 69 69 GLN HB2 H 1 2.062 0.020 . 2 . . . . 69 GLN HB2 . 18113 1 768 . 1 1 69 69 GLN HB3 H 1 2.095 0.020 . 2 . . . . 69 GLN HB3 . 18113 1 769 . 1 1 69 69 GLN HG2 H 1 2.574 0.020 . 2 . . . . 69 GLN HG2 . 18113 1 770 . 1 1 69 69 GLN HG3 H 1 2.421 0.020 . 2 . . . . 69 GLN HG3 . 18113 1 771 . 1 1 69 69 GLN C C 13 177.000 0.3 . 1 . . . . 69 GLN C . 18113 1 772 . 1 1 69 69 GLN CA C 13 56.831 0.3 . 1 . . . . 69 GLN CA . 18113 1 773 . 1 1 69 69 GLN CB C 13 26.230 0.3 . 1 . . . . 69 GLN CB . 18113 1 774 . 1 1 69 69 GLN CG C 13 34.021 0.3 . 1 . . . . 69 GLN CG . 18113 1 775 . 1 1 69 69 GLN N N 15 116.070 0.3 . 1 . . . . 69 GLN N . 18113 1 776 . 1 1 70 70 ASN H H 1 7.110 0.020 . 1 . . . . 70 ASN H . 18113 1 777 . 1 1 70 70 ASN HA H 1 4.129 0.020 . 1 . . . . 70 ASN HA . 18113 1 778 . 1 1 70 70 ASN HB2 H 1 2.036 0.020 . 2 . . . . 70 ASN HB2 . 18113 1 779 . 1 1 70 70 ASN HB3 H 1 2.002 0.020 . 2 . . . . 70 ASN HB3 . 18113 1 780 . 1 1 70 70 ASN C C 13 174.076 0.3 . 1 . . . . 70 ASN C . 18113 1 781 . 1 1 70 70 ASN CA C 13 54.997 0.3 . 1 . . . . 70 ASN CA . 18113 1 782 . 1 1 70 70 ASN CB C 13 39.592 0.3 . 1 . . . . 70 ASN CB . 18113 1 783 . 1 1 70 70 ASN N N 15 112.647 0.3 . 1 . . . . 70 ASN N . 18113 1 784 . 1 1 71 71 PHE H H 1 7.702 0.020 . 1 . . . . 71 PHE H . 18113 1 785 . 1 1 71 71 PHE HA H 1 4.164 0.020 . 1 . . . . 71 PHE HA . 18113 1 786 . 1 1 71 71 PHE HB2 H 1 3.207 0.020 . 2 . . . . 71 PHE HB2 . 18113 1 787 . 1 1 71 71 PHE HB3 H 1 3.077 0.020 . 2 . . . . 71 PHE HB3 . 18113 1 788 . 1 1 71 71 PHE HD1 H 1 7.191 0.020 . 1 . . . . 71 PHE HD1 . 18113 1 789 . 1 1 71 71 PHE HE1 H 1 6.554 0.020 . 1 . . . . 71 PHE HE1 . 18113 1 790 . 1 1 71 71 PHE C C 13 175.448 0.3 . 1 . . . . 71 PHE C . 18113 1 791 . 1 1 71 71 PHE CA C 13 59.198 0.3 . 1 . . . . 71 PHE CA . 18113 1 792 . 1 1 71 71 PHE CB C 13 38.658 0.3 . 1 . . . . 71 PHE CB . 18113 1 793 . 1 1 71 71 PHE CD1 C 13 128.898 0.3 . 1 . . . . 71 PHE CD1 . 18113 1 794 . 1 1 71 71 PHE CE1 C 13 128.390 0.3 . 1 . . . . 71 PHE CE1 . 18113 1 795 . 1 1 71 71 PHE N N 15 114.838 0.3 . 1 . . . . 71 PHE N . 18113 1 796 . 1 1 72 72 SER H H 1 7.269 0.020 . 1 . . . . 72 SER H . 18113 1 797 . 1 1 72 72 SER HA H 1 4.376 0.020 . 1 . . . . 72 SER HA . 18113 1 798 . 1 1 72 72 SER HB2 H 1 3.742 0.020 . 2 . . . . 72 SER HB2 . 18113 1 799 . 1 1 72 72 SER HB3 H 1 3.688 0.020 . 2 . . . . 72 SER HB3 . 18113 1 800 . 1 1 72 72 SER C C 13 175.633 0.3 . 1 . . . . 72 SER C . 18113 1 801 . 1 1 72 72 SER CA C 13 59.651 0.3 . 1 . . . . 72 SER CA . 18113 1 802 . 1 1 72 72 SER CB C 13 64.747 0.3 . 1 . . . . 72 SER CB . 18113 1 803 . 1 1 72 72 SER N N 15 111.157 0.3 . 1 . . . . 72 SER N . 18113 1 804 . 1 1 73 73 ALA H H 1 8.884 0.020 . 1 . . . . 73 ALA H . 18113 1 805 . 1 1 73 73 ALA HA H 1 4.365 0.020 . 1 . . . . 73 ALA HA . 18113 1 806 . 1 1 73 73 ALA HB1 H 1 1.400 0.020 . 1 . . . . 73 ALA QB . 18113 1 807 . 1 1 73 73 ALA HB2 H 1 1.400 0.020 . 1 . . . . 73 ALA QB . 18113 1 808 . 1 1 73 73 ALA HB3 H 1 1.400 0.020 . 1 . . . . 73 ALA QB . 18113 1 809 . 1 1 73 73 ALA C C 13 178.486 0.3 . 1 . . . . 73 ALA C . 18113 1 810 . 1 1 73 73 ALA CA C 13 54.539 0.3 . 1 . . . . 73 ALA CA . 18113 1 811 . 1 1 73 73 ALA CB C 13 17.797 0.3 . 1 . . . . 73 ALA CB . 18113 1 812 . 1 1 73 73 ALA N N 15 131.403 0.3 . 1 . . . . 73 ALA N . 18113 1 813 . 1 1 74 74 GLY H H 1 8.240 0.020 . 1 . . . . 74 GLY H . 18113 1 814 . 1 1 74 74 GLY HA2 H 1 4.024 0.020 . 2 . . . . 74 GLY HA2 . 18113 1 815 . 1 1 74 74 GLY HA3 H 1 3.713 0.020 . 2 . . . . 74 GLY HA3 . 18113 1 816 . 1 1 74 74 GLY C C 13 174.194 0.3 . 1 . . . . 74 GLY C . 18113 1 817 . 1 1 74 74 GLY CA C 13 44.790 0.3 . 1 . . . . 74 GLY CA . 18113 1 818 . 1 1 74 74 GLY N N 15 104.316 0.3 . 1 . . . . 74 GLY N . 18113 1 819 . 1 1 75 75 ALA H H 1 7.587 0.020 . 1 . . . . 75 ALA H . 18113 1 820 . 1 1 75 75 ALA HA H 1 4.244 0.020 . 1 . . . . 75 ALA HA . 18113 1 821 . 1 1 75 75 ALA HB1 H 1 1.306 0.020 . 1 . . . . 75 ALA QB . 18113 1 822 . 1 1 75 75 ALA HB2 H 1 1.306 0.020 . 1 . . . . 75 ALA QB . 18113 1 823 . 1 1 75 75 ALA HB3 H 1 1.306 0.020 . 1 . . . . 75 ALA QB . 18113 1 824 . 1 1 75 75 ALA C C 13 176.287 0.3 . 1 . . . . 75 ALA C . 18113 1 825 . 1 1 75 75 ALA CA C 13 51.366 0.3 . 1 . . . . 75 ALA CA . 18113 1 826 . 1 1 75 75 ALA CB C 13 20.753 0.3 . 1 . . . . 75 ALA CB . 18113 1 827 . 1 1 75 75 ALA N N 15 122.060 0.3 . 1 . . . . 75 ALA N . 18113 1 828 . 1 1 76 76 ARG H H 1 8.304 0.020 . 1 . . . . 76 ARG H . 18113 1 829 . 1 1 76 76 ARG HA H 1 4.273 0.020 . 1 . . . . 76 ARG HA . 18113 1 830 . 1 1 76 76 ARG HB2 H 1 1.793 0.020 . 2 . . . . 76 ARG HB2 . 18113 1 831 . 1 1 76 76 ARG HB3 H 1 1.747 0.020 . 2 . . . . 76 ARG HB3 . 18113 1 832 . 1 1 76 76 ARG HG2 H 1 1.679 0.020 . 2 . . . . 76 ARG HG2 . 18113 1 833 . 1 1 76 76 ARG HG3 H 1 1.445 0.020 . 2 . . . . 76 ARG HG3 . 18113 1 834 . 1 1 76 76 ARG HD2 H 1 3.258 0.020 . 2 . . . . 76 ARG HD2 . 18113 1 835 . 1 1 76 76 ARG HD3 H 1 3.022 0.020 . 2 . . . . 76 ARG HD3 . 18113 1 836 . 1 1 76 76 ARG C C 13 175.608 0.3 . 1 . . . . 76 ARG C . 18113 1 837 . 1 1 76 76 ARG CA C 13 54.996 0.3 . 1 . . . . 76 ARG CA . 18113 1 838 . 1 1 76 76 ARG CB C 13 29.701 0.3 . 1 . . . . 76 ARG CB . 18113 1 839 . 1 1 76 76 ARG CG C 13 25.233 0.3 . 1 . . . . 76 ARG CG . 18113 1 840 . 1 1 76 76 ARG CD C 13 42.807 0.3 . 1 . . . . 76 ARG CD . 18113 1 841 . 1 1 76 76 ARG N N 15 117.894 0.3 . 1 . . . . 76 ARG N . 18113 1 842 . 1 1 77 77 ALA H H 1 8.305 0.020 . 1 . . . . 77 ALA H . 18113 1 843 . 1 1 77 77 ALA HA H 1 4.318 0.020 . 1 . . . . 77 ALA HA . 18113 1 844 . 1 1 77 77 ALA HB1 H 1 1.252 0.020 . 1 . . . . 77 ALA QB . 18113 1 845 . 1 1 77 77 ALA HB2 H 1 1.252 0.020 . 1 . . . . 77 ALA QB . 18113 1 846 . 1 1 77 77 ALA HB3 H 1 1.252 0.020 . 1 . . . . 77 ALA QB . 18113 1 847 . 1 1 77 77 ALA C C 13 178.716 0.3 . 1 . . . . 77 ALA C . 18113 1 848 . 1 1 77 77 ALA CA C 13 51.573 0.3 . 1 . . . . 77 ALA CA . 18113 1 849 . 1 1 77 77 ALA CB C 13 18.749 0.3 . 1 . . . . 77 ALA CB . 18113 1 850 . 1 1 77 77 ALA N N 15 120.445 0.3 . 1 . . . . 77 ALA N . 18113 1 851 . 1 1 78 78 LEU H H 1 8.739 0.020 . 1 . . . . 78 LEU H . 18113 1 852 . 1 1 78 78 LEU HA H 1 4.357 0.020 . 1 . . . . 78 LEU HA . 18113 1 853 . 1 1 78 78 LEU HB2 H 1 1.929 0.020 . 2 . . . . 78 LEU HB2 . 18113 1 854 . 1 1 78 78 LEU HB3 H 1 1.710 0.020 . 2 . . . . 78 LEU HB3 . 18113 1 855 . 1 1 78 78 LEU HG H 1 1.441 0.020 . 1 . . . . 78 LEU HG . 18113 1 856 . 1 1 78 78 LEU HD11 H 1 0.171 0.020 . 2 . . . . 78 LEU QD1 . 18113 1 857 . 1 1 78 78 LEU HD12 H 1 0.171 0.020 . 2 . . . . 78 LEU QD1 . 18113 1 858 . 1 1 78 78 LEU HD13 H 1 0.171 0.020 . 2 . . . . 78 LEU QD1 . 18113 1 859 . 1 1 78 78 LEU HD21 H 1 0.486 0.020 . 2 . . . . 78 LEU QD2 . 18113 1 860 . 1 1 78 78 LEU HD22 H 1 0.486 0.020 . 2 . . . . 78 LEU QD2 . 18113 1 861 . 1 1 78 78 LEU HD23 H 1 0.486 0.020 . 2 . . . . 78 LEU QD2 . 18113 1 862 . 1 1 78 78 LEU C C 13 177.417 0.3 . 1 . . . . 78 LEU C . 18113 1 863 . 1 1 78 78 LEU CA C 13 54.531 0.3 . 1 . . . . 78 LEU CA . 18113 1 864 . 1 1 78 78 LEU CB C 13 41.407 0.3 . 1 . . . . 78 LEU CB . 18113 1 865 . 1 1 78 78 LEU CD1 C 13 22.279 0.3 . 1 . . . . 78 LEU CD1 . 18113 1 866 . 1 1 78 78 LEU CD2 C 13 25.722 0.3 . 1 . . . . 78 LEU CD2 . 18113 1 867 . 1 1 78 78 LEU N N 15 122.031 0.3 . 1 . . . . 78 LEU N . 18113 1 868 . 1 1 79 79 SER H H 1 9.768 0.020 . 1 . . . . 79 SER H . 18113 1 869 . 1 1 79 79 SER HA H 1 4.504 0.020 . 1 . . . . 79 SER HA . 18113 1 870 . 1 1 79 79 SER HB2 H 1 4.064 0.020 . 2 . . . . 79 SER HB2 . 18113 1 871 . 1 1 79 79 SER HB3 H 1 4.010 0.020 . 2 . . . . 79 SER HB3 . 18113 1 872 . 1 1 79 79 SER CA C 13 57.060 0.3 . 1 . . . . 79 SER CA . 18113 1 873 . 1 1 79 79 SER CB C 13 65.419 0.3 . 1 . . . . 79 SER CB . 18113 1 874 . 1 1 79 79 SER N N 15 117.149 0.3 . 1 . . . . 79 SER N . 18113 1 875 . 1 1 80 80 ASP H H 1 7.048 0.020 . 1 . . . . 80 ASP H . 18113 1 876 . 1 1 80 80 ASP HA H 1 4.765 0.020 . 1 . . . . 80 ASP HA . 18113 1 877 . 1 1 80 80 ASP HB2 H 1 2.468 0.020 . 1 . . . . 80 ASP HB2 . 18113 1 878 . 1 1 80 80 ASP CA C 13 54.458 0.3 . 1 . . . . 80 ASP CA . 18113 1 879 . 1 1 80 80 ASP N N 15 113.933 0.3 . 1 . . . . 80 ASP N . 18113 1 880 . 1 1 81 81 ALA H H 1 8.259 0.020 . 1 . . . . 81 ALA H . 18113 1 881 . 1 1 81 81 ALA HA H 1 4.764 0.020 . 1 . . . . 81 ALA HA . 18113 1 882 . 1 1 81 81 ALA HB1 H 1 1.383 0.020 . 1 . . . . 81 ALA QB . 18113 1 883 . 1 1 81 81 ALA HB2 H 1 1.383 0.020 . 1 . . . . 81 ALA QB . 18113 1 884 . 1 1 81 81 ALA HB3 H 1 1.383 0.020 . 1 . . . . 81 ALA QB . 18113 1 885 . 1 1 81 81 ALA C C 13 180.199 0.3 . 1 . . . . 81 ALA C . 18113 1 886 . 1 1 81 81 ALA CA C 13 55.165 0.3 . 1 . . . . 81 ALA CA . 18113 1 887 . 1 1 81 81 ALA CB C 13 17.591 0.3 . 1 . . . . 81 ALA CB . 18113 1 888 . 1 1 81 81 ALA N N 15 123.571 0.3 . 1 . . . . 81 ALA N . 18113 1 889 . 1 1 82 82 GLU H H 1 8.111 0.020 . 1 . . . . 82 GLU H . 18113 1 890 . 1 1 82 82 GLU HA H 1 4.061 0.020 . 1 . . . . 82 GLU HA . 18113 1 891 . 1 1 82 82 GLU HB2 H 1 1.991 0.020 . 2 . . . . 82 GLU HB2 . 18113 1 892 . 1 1 82 82 GLU HB3 H 1 1.950 0.020 . 2 . . . . 82 GLU HB3 . 18113 1 893 . 1 1 82 82 GLU HG2 H 1 2.582 0.020 . 2 . . . . 82 GLU HG2 . 18113 1 894 . 1 1 82 82 GLU HG3 H 1 2.524 0.020 . 2 . . . . 82 GLU HG3 . 18113 1 895 . 1 1 82 82 GLU C C 13 180.445 0.3 . 1 . . . . 82 GLU C . 18113 1 896 . 1 1 82 82 GLU CA C 13 58.616 0.3 . 1 . . . . 82 GLU CA . 18113 1 897 . 1 1 82 82 GLU CB C 13 32.064 0.3 . 1 . . . . 82 GLU CB . 18113 1 898 . 1 1 82 82 GLU CG C 13 36.725 0.3 . 1 . . . . 82 GLU CG . 18113 1 899 . 1 1 82 82 GLU N N 15 117.065 0.3 . 1 . . . . 82 GLU N . 18113 1 900 . 1 1 83 83 THR H H 1 8.706 0.020 . 1 . . . . 83 THR H . 18113 1 901 . 1 1 83 83 THR HA H 1 3.893 0.020 . 1 . . . . 83 THR HA . 18113 1 902 . 1 1 83 83 THR HB H 1 3.844 0.020 . 1 . . . . 83 THR HB . 18113 1 903 . 1 1 83 83 THR HG21 H 1 1.096 0.020 . 1 . . . . 83 THR QG2 . 18113 1 904 . 1 1 83 83 THR HG22 H 1 1.096 0.020 . 1 . . . . 83 THR QG2 . 18113 1 905 . 1 1 83 83 THR HG23 H 1 1.096 0.020 . 1 . . . . 83 THR QG2 . 18113 1 906 . 1 1 83 83 THR CA C 13 68.863 0.3 . 1 . . . . 83 THR CA . 18113 1 907 . 1 1 83 83 THR CB C 13 68.982 0.3 . 1 . . . . 83 THR CB . 18113 1 908 . 1 1 83 83 THR CG2 C 13 22.181 0.3 . 1 . . . . 83 THR CG2 . 18113 1 909 . 1 1 83 83 THR N N 15 117.384 0.3 . 1 . . . . 83 THR N . 18113 1 910 . 1 1 84 84 LYS H H 1 8.216 0.020 . 1 . . . . 84 LYS H . 18113 1 911 . 1 1 84 84 LYS HA H 1 3.933 0.020 . 1 . . . . 84 LYS HA . 18113 1 912 . 1 1 84 84 LYS HB2 H 1 1.973 0.020 . 2 . . . . 84 LYS HB2 . 18113 1 913 . 1 1 84 84 LYS HB3 H 1 1.825 0.020 . 2 . . . . 84 LYS HB3 . 18113 1 914 . 1 1 84 84 LYS HG2 H 1 1.138 0.020 . 2 . . . . 84 LYS HG2 . 18113 1 915 . 1 1 84 84 LYS HG3 H 1 1.114 0.020 . 2 . . . . 84 LYS HG3 . 18113 1 916 . 1 1 84 84 LYS HD2 H 1 1.610 0.020 . 2 . . . . 84 LYS HD2 . 18113 1 917 . 1 1 84 84 LYS HD3 H 1 1.466 0.020 . 2 . . . . 84 LYS HD3 . 18113 1 918 . 1 1 84 84 LYS HE2 H 1 3.239 0.020 . 2 . . . . 84 LYS HE2 . 18113 1 919 . 1 1 84 84 LYS HE3 H 1 3.083 0.020 . 2 . . . . 84 LYS HE3 . 18113 1 920 . 1 1 84 84 LYS C C 13 179.421 0.3 . 1 . . . . 84 LYS C . 18113 1 921 . 1 1 84 84 LYS CA C 13 59.307 0.3 . 1 . . . . 84 LYS CA . 18113 1 922 . 1 1 84 84 LYS CB C 13 32.026 0.3 . 1 . . . . 84 LYS CB . 18113 1 923 . 1 1 84 84 LYS CG C 13 24.067 0.3 . 1 . . . . 84 LYS CG . 18113 1 924 . 1 1 84 84 LYS CE C 13 38.975 0.3 . 1 . . . . 84 LYS CE . 18113 1 925 . 1 1 84 84 LYS N N 15 120.204 0.3 . 1 . . . . 84 LYS N . 18113 1 926 . 1 1 85 85 VAL H H 1 7.579 0.020 . 1 . . . . 85 VAL H . 18113 1 927 . 1 1 85 85 VAL HA H 1 3.611 0.020 . 1 . . . . 85 VAL HA . 18113 1 928 . 1 1 85 85 VAL HB H 1 2.151 0.020 . 1 . . . . 85 VAL HB . 18113 1 929 . 1 1 85 85 VAL HG11 H 1 1.069 0.020 . 2 . . . . 85 VAL QG1 . 18113 1 930 . 1 1 85 85 VAL HG12 H 1 1.069 0.020 . 2 . . . . 85 VAL QG1 . 18113 1 931 . 1 1 85 85 VAL HG13 H 1 1.069 0.020 . 2 . . . . 85 VAL QG1 . 18113 1 932 . 1 1 85 85 VAL HG21 H 1 1.154 0.020 . 2 . . . . 85 VAL QG2 . 18113 1 933 . 1 1 85 85 VAL HG22 H 1 1.154 0.020 . 2 . . . . 85 VAL QG2 . 18113 1 934 . 1 1 85 85 VAL HG23 H 1 1.154 0.020 . 2 . . . . 85 VAL QG2 . 18113 1 935 . 1 1 85 85 VAL C C 13 177.992 0.3 . 1 . . . . 85 VAL C . 18113 1 936 . 1 1 85 85 VAL CA C 13 66.492 0.3 . 1 . . . . 85 VAL CA . 18113 1 937 . 1 1 85 85 VAL CB C 13 32.084 0.3 . 1 . . . . 85 VAL CB . 18113 1 938 . 1 1 85 85 VAL CG1 C 13 21.270 0.3 . 1 . . . . 85 VAL CG1 . 18113 1 939 . 1 1 85 85 VAL CG2 C 13 22.349 0.3 . 1 . . . . 85 VAL CG2 . 18113 1 940 . 1 1 85 85 VAL N N 15 119.175 0.3 . 1 . . . . 85 VAL N . 18113 1 941 . 1 1 86 86 PHE H H 1 7.695 0.020 . 1 . . . . 86 PHE H . 18113 1 942 . 1 1 86 86 PHE HA H 1 4.325 0.020 . 1 . . . . 86 PHE HA . 18113 1 943 . 1 1 86 86 PHE HB2 H 1 3.533 0.020 . 2 . . . . 86 PHE HB2 . 18113 1 944 . 1 1 86 86 PHE HB3 H 1 3.315 0.020 . 2 . . . . 86 PHE HB3 . 18113 1 945 . 1 1 86 86 PHE HD1 H 1 6.861 0.020 . 1 . . . . 86 PHE HD1 . 18113 1 946 . 1 1 86 86 PHE HE1 H 1 6.190 0.020 . 1 . . . . 86 PHE HE1 . 18113 1 947 . 1 1 86 86 PHE C C 13 176.601 0.3 . 1 . . . . 86 PHE C . 18113 1 948 . 1 1 86 86 PHE CA C 13 57.070 0.3 . 1 . . . . 86 PHE CA . 18113 1 949 . 1 1 86 86 PHE CB C 13 38.899 0.3 . 1 . . . . 86 PHE CB . 18113 1 950 . 1 1 86 86 PHE CD1 C 13 128.921 0.3 . 1 . . . . 86 PHE CD1 . 18113 1 951 . 1 1 86 86 PHE CE1 C 13 128.810 0.3 . 1 . . . . 86 PHE CE1 . 18113 1 952 . 1 1 86 86 PHE N N 15 122.274 0.3 . 1 . . . . 86 PHE N . 18113 1 953 . 1 1 87 87 LEU H H 1 8.673 0.020 . 1 . . . . 87 LEU H . 18113 1 954 . 1 1 87 87 LEU HA H 1 3.651 0.020 . 1 . . . . 87 LEU HA . 18113 1 955 . 1 1 87 87 LEU HB2 H 1 1.488 0.020 . 2 . . . . 87 LEU HB2 . 18113 1 956 . 1 1 87 87 LEU HB3 H 1 1.353 0.020 . 2 . . . . 87 LEU HB3 . 18113 1 957 . 1 1 87 87 LEU HG H 1 1.126 0.020 . 1 . . . . 87 LEU HG . 18113 1 958 . 1 1 87 87 LEU HD11 H 1 0.573 0.020 . 2 . . . . 87 LEU QD1 . 18113 1 959 . 1 1 87 87 LEU HD12 H 1 0.573 0.020 . 2 . . . . 87 LEU QD1 . 18113 1 960 . 1 1 87 87 LEU HD13 H 1 0.573 0.020 . 2 . . . . 87 LEU QD1 . 18113 1 961 . 1 1 87 87 LEU HD21 H 1 0.759 0.020 . 2 . . . . 87 LEU QD2 . 18113 1 962 . 1 1 87 87 LEU HD22 H 1 0.759 0.020 . 2 . . . . 87 LEU QD2 . 18113 1 963 . 1 1 87 87 LEU HD23 H 1 0.759 0.020 . 2 . . . . 87 LEU QD2 . 18113 1 964 . 1 1 87 87 LEU CA C 13 58.100 0.3 . 1 . . . . 87 LEU CA . 18113 1 965 . 1 1 87 87 LEU CB C 13 42.110 0.3 . 1 . . . . 87 LEU CB . 18113 1 966 . 1 1 87 87 LEU CG C 13 25.976 0.3 . 1 . . . . 87 LEU CG . 18113 1 967 . 1 1 87 87 LEU CD1 C 13 22.464 0.3 . 1 . . . . 87 LEU CD1 . 18113 1 968 . 1 1 87 87 LEU CD2 C 13 22.464 0.3 . 1 . . . . 87 LEU CD2 . 18113 1 969 . 1 1 87 87 LEU N N 15 117.740 0.3 . 1 . . . . 87 LEU N . 18113 1 970 . 1 1 88 88 LYS H H 1 8.144 0.020 . 1 . . . . 88 LYS H . 18113 1 971 . 1 1 88 88 LYS HA H 1 3.946 0.020 . 1 . . . . 88 LYS HA . 18113 1 972 . 1 1 88 88 LYS HB2 H 1 1.988 0.020 . 2 . . . . 88 LYS HB2 . 18113 1 973 . 1 1 88 88 LYS HB3 H 1 1.849 0.020 . 2 . . . . 88 LYS HB3 . 18113 1 974 . 1 1 88 88 LYS HG2 H 1 1.049 0.020 . 2 . . . . 88 LYS HG2 . 18113 1 975 . 1 1 88 88 LYS HG3 H 1 0.747 0.020 . 2 . . . . 88 LYS HG3 . 18113 1 976 . 1 1 88 88 LYS HD2 H 1 1.480 0.020 . 2 . . . . 88 LYS HD2 . 18113 1 977 . 1 1 88 88 LYS HD3 H 1 1.554 0.020 . 2 . . . . 88 LYS HD3 . 18113 1 978 . 1 1 88 88 LYS HE2 H 1 2.571 0.020 . 2 . . . . 88 LYS HE2 . 18113 1 979 . 1 1 88 88 LYS HE3 H 1 2.531 0.020 . 2 . . . . 88 LYS HE3 . 18113 1 980 . 1 1 88 88 LYS C C 13 178.588 0.3 . 1 . . . . 88 LYS C . 18113 1 981 . 1 1 88 88 LYS CA C 13 58.106 0.3 . 1 . . . . 88 LYS CA . 18113 1 982 . 1 1 88 88 LYS CB C 13 32.007 0.3 . 1 . . . . 88 LYS CB . 18113 1 983 . 1 1 88 88 LYS CG C 13 22.704 0.3 . 1 . . . . 88 LYS CG . 18113 1 984 . 1 1 88 88 LYS CD C 13 27.944 0.3 . 1 . . . . 88 LYS CD . 18113 1 985 . 1 1 88 88 LYS CE C 13 41.597 0.3 . 1 . . . . 88 LYS CE . 18113 1 986 . 1 1 88 88 LYS N N 15 116.346 0.3 . 1 . . . . 88 LYS N . 18113 1 987 . 1 1 89 89 ALA H H 1 7.701 0.020 . 1 . . . . 89 ALA H . 18113 1 988 . 1 1 89 89 ALA HA H 1 4.022 0.020 . 1 . . . . 89 ALA HA . 18113 1 989 . 1 1 89 89 ALA HB1 H 1 1.469 0.020 . 1 . . . . 89 ALA QB . 18113 1 990 . 1 1 89 89 ALA HB2 H 1 1.469 0.020 . 1 . . . . 89 ALA QB . 18113 1 991 . 1 1 89 89 ALA HB3 H 1 1.469 0.020 . 1 . . . . 89 ALA QB . 18113 1 992 . 1 1 89 89 ALA C C 13 179.264 0.3 . 1 . . . . 89 ALA C . 18113 1 993 . 1 1 89 89 ALA CA C 13 54.009 0.3 . 1 . . . . 89 ALA CA . 18113 1 994 . 1 1 89 89 ALA CB C 13 18.361 0.3 . 1 . . . . 89 ALA CB . 18113 1 995 . 1 1 89 89 ALA N N 15 118.289 0.3 . 1 . . . . 89 ALA N . 18113 1 996 . 1 1 90 90 GLY H H 1 7.559 0.020 . 1 . . . . 90 GLY H . 18113 1 997 . 1 1 90 90 GLY HA2 H 1 4.420 0.020 . 2 . . . . 90 GLY HA2 . 18113 1 998 . 1 1 90 90 GLY HA3 H 1 3.636 0.020 . 2 . . . . 90 GLY HA3 . 18113 1 999 . 1 1 90 90 GLY C C 13 174.590 0.3 . 1 . . . . 90 GLY C . 18113 1 1000 . 1 1 90 90 GLY CA C 13 46.218 0.3 . 1 . . . . 90 GLY CA . 18113 1 1001 . 1 1 90 90 GLY N N 15 102.042 0.3 . 1 . . . . 90 GLY N . 18113 1 1002 . 1 1 91 91 ASP H H 1 8.331 0.020 . 1 . . . . 91 ASP H . 18113 1 1003 . 1 1 91 91 ASP HA H 1 4.764 0.020 . 1 . . . . 91 ASP HA . 18113 1 1004 . 1 1 91 91 ASP HB2 H 1 2.798 0.020 . 2 . . . . 91 ASP HB2 . 18113 1 1005 . 1 1 91 91 ASP HB3 H 1 2.690 0.020 . 2 . . . . 91 ASP HB3 . 18113 1 1006 . 1 1 91 91 ASP C C 13 176.223 0.3 . 1 . . . . 91 ASP C . 18113 1 1007 . 1 1 91 91 ASP CA C 13 53.484 0.3 . 1 . . . . 91 ASP CA . 18113 1 1008 . 1 1 91 91 ASP CB C 13 39.412 0.3 . 1 . . . . 91 ASP CB . 18113 1 1009 . 1 1 91 91 ASP N N 15 119.916 0.3 . 1 . . . . 91 ASP N . 18113 1 1010 . 1 1 92 92 SER H H 1 8.566 0.020 . 1 . . . . 92 SER H . 18113 1 1011 . 1 1 92 92 SER HA H 1 4.276 0.020 . 1 . . . . 92 SER HA . 18113 1 1012 . 1 1 92 92 SER HB2 H 1 3.983 0.020 . 2 . . . . 92 SER HB2 . 18113 1 1013 . 1 1 92 92 SER HB3 H 1 3.918 0.020 . 2 . . . . 92 SER HB3 . 18113 1 1014 . 1 1 92 92 SER C C 13 176.038 0.3 . 1 . . . . 92 SER C . 18113 1 1015 . 1 1 92 92 SER CA C 13 59.931 0.3 . 1 . . . . 92 SER CA . 18113 1 1016 . 1 1 92 92 SER CB C 13 63.192 0.3 . 1 . . . . 92 SER CB . 18113 1 1017 . 1 1 92 92 SER N N 15 123.337 0.3 . 1 . . . . 92 SER N . 18113 1 1018 . 1 1 93 93 ASP H H 1 8.590 0.020 . 1 . . . . 93 ASP H . 18113 1 1019 . 1 1 93 93 ASP HA H 1 4.663 0.020 . 1 . . . . 93 ASP HA . 18113 1 1020 . 1 1 93 93 ASP HB2 H 1 3.024 0.020 . 2 . . . . 93 ASP HB2 . 18113 1 1021 . 1 1 93 93 ASP HB3 H 1 2.566 0.020 . 2 . . . . 93 ASP HB3 . 18113 1 1022 . 1 1 93 93 ASP C C 13 178.107 0.3 . 1 . . . . 93 ASP C . 18113 1 1023 . 1 1 93 93 ASP CA C 13 53.327 0.3 . 1 . . . . 93 ASP CA . 18113 1 1024 . 1 1 93 93 ASP CB C 13 39.673 0.3 . 1 . . . . 93 ASP CB . 18113 1 1025 . 1 1 93 93 ASP N N 15 118.429 0.3 . 1 . . . . 93 ASP N . 18113 1 1026 . 1 1 94 94 GLY H H 1 7.540 0.020 . 1 . . . . 94 GLY H . 18113 1 1027 . 1 1 94 94 GLY HA2 H 1 3.915 0.020 . 2 . . . . 94 GLY HA2 . 18113 1 1028 . 1 1 94 94 GLY HA3 H 1 3.802 0.020 . 2 . . . . 94 GLY HA3 . 18113 1 1029 . 1 1 94 94 GLY C C 13 175.008 0.3 . 1 . . . . 94 GLY C . 18113 1 1030 . 1 1 94 94 GLY CA C 13 47.470 0.3 . 1 . . . . 94 GLY CA . 18113 1 1031 . 1 1 94 94 GLY N N 15 108.400 0.3 . 1 . . . . 94 GLY N . 18113 1 1032 . 1 1 95 95 ASP H H 1 8.439 0.020 . 1 . . . . 95 ASP H . 18113 1 1033 . 1 1 95 95 ASP HA H 1 4.433 0.020 . 1 . . . . 95 ASP HA . 18113 1 1034 . 1 1 95 95 ASP HB2 H 1 2.856 0.020 . 2 . . . . 95 ASP HB2 . 18113 1 1035 . 1 1 95 95 ASP HB3 H 1 2.410 0.020 . 2 . . . . 95 ASP HB3 . 18113 1 1036 . 1 1 95 95 ASP C C 13 177.434 0.3 . 1 . . . . 95 ASP C . 18113 1 1037 . 1 1 95 95 ASP CA C 13 53.447 0.3 . 1 . . . . 95 ASP CA . 18113 1 1038 . 1 1 95 95 ASP CB C 13 39.850 0.3 . 1 . . . . 95 ASP CB . 18113 1 1039 . 1 1 95 95 ASP N N 15 120.825 0.3 . 1 . . . . 95 ASP N . 18113 1 1040 . 1 1 96 96 GLY H H 1 10.279 0.020 . 1 . . . . 96 GLY H . 18113 1 1041 . 1 1 96 96 GLY HA2 H 1 3.997 0.020 . 2 . . . . 96 GLY HA2 . 18113 1 1042 . 1 1 96 96 GLY HA3 H 1 3.398 0.020 . 2 . . . . 96 GLY HA3 . 18113 1 1043 . 1 1 96 96 GLY C C 13 172.596 0.3 . 1 . . . . 96 GLY C . 18113 1 1044 . 1 1 96 96 GLY CA C 13 45.757 0.3 . 1 . . . . 96 GLY CA . 18113 1 1045 . 1 1 96 96 GLY N N 15 111.919 0.3 . 1 . . . . 96 GLY N . 18113 1 1046 . 1 1 97 97 LYS H H 1 7.911 0.020 . 1 . . . . 97 LYS H . 18113 1 1047 . 1 1 97 97 LYS HA H 1 4.661 0.020 . 1 . . . . 97 LYS HA . 18113 1 1048 . 1 1 97 97 LYS HB2 H 1 1.647 0.020 . 2 . . . . 97 LYS HB2 . 18113 1 1049 . 1 1 97 97 LYS HB3 H 1 1.515 0.020 . 2 . . . . 97 LYS HB3 . 18113 1 1050 . 1 1 97 97 LYS HG2 H 1 0.787 0.020 . 2 . . . . 97 LYS HG2 . 18113 1 1051 . 1 1 97 97 LYS HG3 H 1 0.603 0.020 . 2 . . . . 97 LYS HG3 . 18113 1 1052 . 1 1 97 97 LYS HD2 H 1 1.007 0.020 . 2 . . . . 97 LYS HD2 . 18113 1 1053 . 1 1 97 97 LYS HD3 H 1 0.947 0.020 . 2 . . . . 97 LYS HD3 . 18113 1 1054 . 1 1 97 97 LYS HE2 H 1 2.944 0.020 . 2 . . . . 97 LYS HE2 . 18113 1 1055 . 1 1 97 97 LYS HE3 H 1 2.891 0.020 . 2 . . . . 97 LYS HE3 . 18113 1 1056 . 1 1 97 97 LYS C C 13 174.413 0.3 . 1 . . . . 97 LYS C . 18113 1 1057 . 1 1 97 97 LYS CA C 13 53.867 0.3 . 1 . . . . 97 LYS CA . 18113 1 1058 . 1 1 97 97 LYS CB C 13 36.319 0.3 . 1 . . . . 97 LYS CB . 18113 1 1059 . 1 1 97 97 LYS CG C 13 22.770 0.3 . 1 . . . . 97 LYS CG . 18113 1 1060 . 1 1 97 97 LYS CD C 13 24.288 0.3 . 1 . . . . 97 LYS CD . 18113 1 1061 . 1 1 97 97 LYS CE C 13 41.455 0.3 . 1 . . . . 97 LYS CE . 18113 1 1062 . 1 1 97 97 LYS N N 15 116.027 0.3 . 1 . . . . 97 LYS N . 18113 1 1063 . 1 1 98 98 ILE H H 1 8.831 0.020 . 1 . . . . 98 ILE H . 18113 1 1064 . 1 1 98 98 ILE HA H 1 5.121 0.020 . 1 . . . . 98 ILE HA . 18113 1 1065 . 1 1 98 98 ILE HB H 1 1.958 0.020 . 1 . . . . 98 ILE HB . 18113 1 1066 . 1 1 98 98 ILE HG12 H 1 0.944 0.020 . 2 . . . . 98 ILE HG12 . 18113 1 1067 . 1 1 98 98 ILE HG13 H 1 0.912 0.020 . 2 . . . . 98 ILE HG13 . 18113 1 1068 . 1 1 98 98 ILE HG21 H 1 1.135 0.020 . 1 . . . . 98 ILE QG2 . 18113 1 1069 . 1 1 98 98 ILE HG22 H 1 1.135 0.020 . 1 . . . . 98 ILE QG2 . 18113 1 1070 . 1 1 98 98 ILE HG23 H 1 1.135 0.020 . 1 . . . . 98 ILE QG2 . 18113 1 1071 . 1 1 98 98 ILE HD11 H 1 0.740 0.020 . 1 . . . . 98 ILE QD1 . 18113 1 1072 . 1 1 98 98 ILE HD12 H 1 0.740 0.020 . 1 . . . . 98 ILE QD1 . 18113 1 1073 . 1 1 98 98 ILE HD13 H 1 0.740 0.020 . 1 . . . . 98 ILE QD1 . 18113 1 1074 . 1 1 98 98 ILE C C 13 176.291 0.3 . 1 . . . . 98 ILE C . 18113 1 1075 . 1 1 98 98 ILE CA C 13 59.329 0.3 . 1 . . . . 98 ILE CA . 18113 1 1076 . 1 1 98 98 ILE CB C 13 39.292 0.3 . 1 . . . . 98 ILE CB . 18113 1 1077 . 1 1 98 98 ILE CG1 C 13 27.535 0.3 . 1 . . . . 98 ILE CG1 . 18113 1 1078 . 1 1 98 98 ILE CG2 C 13 17.597 0.3 . 1 . . . . 98 ILE CG2 . 18113 1 1079 . 1 1 98 98 ILE CD1 C 13 12.446 0.3 . 1 . . . . 98 ILE CD1 . 18113 1 1080 . 1 1 98 98 ILE N N 15 122.898 0.3 . 1 . . . . 98 ILE N . 18113 1 1081 . 1 1 99 99 GLY H H 1 9.685 0.020 . 1 . . . . 99 GLY H . 18113 1 1082 . 1 1 99 99 GLY HA2 H 1 4.038 0.020 . 2 . . . . 99 GLY HA2 . 18113 1 1083 . 1 1 99 99 GLY HA3 H 1 4.012 0.020 . 2 . . . . 99 GLY HA3 . 18113 1 1084 . 1 1 99 99 GLY C C 13 174.398 0.3 . 1 . . . . 99 GLY C . 18113 1 1085 . 1 1 99 99 GLY CA C 13 44.154 0.3 . 1 . . . . 99 GLY CA . 18113 1 1086 . 1 1 99 99 GLY N N 15 116.514 0.3 . 1 . . . . 99 GLY N . 18113 1 1087 . 1 1 100 100 VAL H H 1 8.441 0.020 . 1 . . . . 100 VAL H . 18113 1 1088 . 1 1 100 100 VAL HA H 1 4.112 0.020 . 1 . . . . 100 VAL HA . 18113 1 1089 . 1 1 100 100 VAL HB H 1 2.537 0.020 . 1 . . . . 100 VAL HB . 18113 1 1090 . 1 1 100 100 VAL HG11 H 1 0.407 0.020 . 2 . . . . 100 VAL QG1 . 18113 1 1091 . 1 1 100 100 VAL HG12 H 1 0.407 0.020 . 2 . . . . 100 VAL QG1 . 18113 1 1092 . 1 1 100 100 VAL HG13 H 1 0.407 0.020 . 2 . . . . 100 VAL QG1 . 18113 1 1093 . 1 1 100 100 VAL HG21 H 1 0.586 0.020 . 2 . . . . 100 VAL QG2 . 18113 1 1094 . 1 1 100 100 VAL HG22 H 1 0.586 0.020 . 2 . . . . 100 VAL QG2 . 18113 1 1095 . 1 1 100 100 VAL HG23 H 1 0.586 0.020 . 2 . . . . 100 VAL QG2 . 18113 1 1096 . 1 1 100 100 VAL C C 13 177.434 0.3 . 1 . . . . 100 VAL C . 18113 1 1097 . 1 1 100 100 VAL CA C 13 57.801 0.3 . 1 . . . . 100 VAL CA . 18113 1 1098 . 1 1 100 100 VAL CB C 13 30.505 0.3 . 1 . . . . 100 VAL CB . 18113 1 1099 . 1 1 100 100 VAL CG1 C 13 21.864 0.3 . 1 . . . . 100 VAL CG1 . 18113 1 1100 . 1 1 100 100 VAL CG2 C 13 18.632 0.3 . 1 . . . . 100 VAL CG2 . 18113 1 1101 . 1 1 100 100 VAL N N 15 121.099 0.3 . 1 . . . . 100 VAL N . 18113 1 1102 . 1 1 101 101 ASP H H 1 8.070 0.020 . 1 . . . . 101 ASP H . 18113 1 1103 . 1 1 101 101 ASP HA H 1 4.342 0.020 . 1 . . . . 101 ASP HA . 18113 1 1104 . 1 1 101 101 ASP HB2 H 1 2.601 0.020 . 2 . . . . 101 ASP HB2 . 18113 1 1105 . 1 1 101 101 ASP HB3 H 1 2.529 0.020 . 2 . . . . 101 ASP HB3 . 18113 1 1106 . 1 1 101 101 ASP C C 13 179.320 0.3 . 1 . . . . 101 ASP C . 18113 1 1107 . 1 1 101 101 ASP CA C 13 56.948 0.3 . 1 . . . . 101 ASP CA . 18113 1 1108 . 1 1 101 101 ASP CB C 13 39.354 0.3 . 1 . . . . 101 ASP CB . 18113 1 1109 . 1 1 101 101 ASP N N 15 121.959 0.3 . 1 . . . . 101 ASP N . 18113 1 1110 . 1 1 102 102 GLU H H 1 7.836 0.020 . 1 . . . . 102 GLU H . 18113 1 1111 . 1 1 102 102 GLU HA H 1 4.062 0.020 . 1 . . . . 102 GLU HA . 18113 1 1112 . 1 1 102 102 GLU HB2 H 1 2.536 0.020 . 2 . . . . 102 GLU HB2 . 18113 1 1113 . 1 1 102 102 GLU HB3 H 1 2.464 0.020 . 2 . . . . 102 GLU HB3 . 18113 1 1114 . 1 1 102 102 GLU HG2 H 1 2.584 0.020 . 2 . . . . 102 GLU HG2 . 18113 1 1115 . 1 1 102 102 GLU HG3 H 1 2.540 0.020 . 2 . . . . 102 GLU HG3 . 18113 1 1116 . 1 1 102 102 GLU C C 13 179.818 0.3 . 1 . . . . 102 GLU C . 18113 1 1117 . 1 1 102 102 GLU CA C 13 58.318 0.3 . 1 . . . . 102 GLU CA . 18113 1 1118 . 1 1 102 102 GLU CB C 13 30.257 0.3 . 1 . . . . 102 GLU CB . 18113 1 1119 . 1 1 102 102 GLU CG C 13 35.615 0.3 . 1 . . . . 102 GLU CG . 18113 1 1120 . 1 1 102 102 GLU N N 15 122.520 0.3 . 1 . . . . 102 GLU N . 18113 1 1121 . 1 1 103 103 PHE H H 1 8.908 0.020 . 1 . . . . 103 PHE H . 18113 1 1122 . 1 1 103 103 PHE HA H 1 4.113 0.020 . 1 . . . . 103 PHE HA . 18113 1 1123 . 1 1 103 103 PHE HB2 H 1 3.217 0.020 . 2 . . . . 103 PHE HB2 . 18113 1 1124 . 1 1 103 103 PHE HB3 H 1 3.157 0.020 . 2 . . . . 103 PHE HB3 . 18113 1 1125 . 1 1 103 103 PHE HD1 H 1 7.178 0.020 . 1 . . . . 103 PHE HD1 . 18113 1 1126 . 1 1 103 103 PHE HE1 H 1 6.241 0.020 . 1 . . . . 103 PHE HE1 . 18113 1 1127 . 1 1 103 103 PHE C C 13 176.409 0.3 . 1 . . . . 103 PHE C . 18113 1 1128 . 1 1 103 103 PHE CA C 13 61.124 0.3 . 1 . . . . 103 PHE CA . 18113 1 1129 . 1 1 103 103 PHE CB C 13 39.950 0.3 . 1 . . . . 103 PHE CB . 18113 1 1130 . 1 1 103 103 PHE CD1 C 13 129.228 0.3 . 1 . . . . 103 PHE CD1 . 18113 1 1131 . 1 1 103 103 PHE CE1 C 13 128.812 0.3 . 1 . . . . 103 PHE CE1 . 18113 1 1132 . 1 1 103 103 PHE N N 15 121.894 0.3 . 1 . . . . 103 PHE N . 18113 1 1133 . 1 1 104 104 GLY H H 1 8.071 0.020 . 1 . . . . 104 GLY H . 18113 1 1134 . 1 1 104 104 GLY HA2 H 1 3.985 0.020 . 2 . . . . 104 GLY HA2 . 18113 1 1135 . 1 1 104 104 GLY HA3 H 1 3.495 0.020 . 2 . . . . 104 GLY HA3 . 18113 1 1136 . 1 1 104 104 GLY C C 13 175.563 0.3 . 1 . . . . 104 GLY C . 18113 1 1137 . 1 1 104 104 GLY CA C 13 47.614 0.3 . 1 . . . . 104 GLY CA . 18113 1 1138 . 1 1 104 104 GLY N N 15 102.586 0.3 . 1 . . . . 104 GLY N . 18113 1 1139 . 1 1 105 105 ALA H H 1 7.898 0.020 . 1 . . . . 105 ALA H . 18113 1 1140 . 1 1 105 105 ALA HA H 1 4.055 0.020 . 1 . . . . 105 ALA HA . 18113 1 1141 . 1 1 105 105 ALA HB1 H 1 1.445 0.020 . 1 . . . . 105 ALA QB . 18113 1 1142 . 1 1 105 105 ALA HB2 H 1 1.445 0.020 . 1 . . . . 105 ALA QB . 18113 1 1143 . 1 1 105 105 ALA HB3 H 1 1.445 0.020 . 1 . . . . 105 ALA QB . 18113 1 1144 . 1 1 105 105 ALA C C 13 180.116 0.3 . 1 . . . . 105 ALA C . 18113 1 1145 . 1 1 105 105 ALA CA C 13 54.559 0.3 . 1 . . . . 105 ALA CA . 18113 1 1146 . 1 1 105 105 ALA CB C 13 18.020 0.3 . 1 . . . . 105 ALA CB . 18113 1 1147 . 1 1 105 105 ALA N N 15 121.429 0.3 . 1 . . . . 105 ALA N . 18113 1 1148 . 1 1 106 106 MET H H 1 7.853 0.020 . 1 . . . . 106 MET H . 18113 1 1149 . 1 1 106 106 MET HA H 1 4.380 0.020 . 1 . . . . 106 MET HA . 18113 1 1150 . 1 1 106 106 MET HB2 H 1 2.522 0.020 . 2 . . . . 106 MET HB2 . 18113 1 1151 . 1 1 106 106 MET HB3 H 1 2.397 0.020 . 2 . . . . 106 MET HB3 . 18113 1 1152 . 1 1 106 106 MET HG2 H 1 2.876 0.020 . 2 . . . . 106 MET HG2 . 18113 1 1153 . 1 1 106 106 MET HG3 H 1 2.484 0.020 . 2 . . . . 106 MET HG3 . 18113 1 1154 . 1 1 106 106 MET C C 13 177.210 0.3 . 1 . . . . 106 MET C . 18113 1 1155 . 1 1 106 106 MET CA C 13 57.844 0.3 . 1 . . . . 106 MET CA . 18113 1 1156 . 1 1 106 106 MET CB C 13 33.134 0.3 . 1 . . . . 106 MET CB . 18113 1 1157 . 1 1 106 106 MET CG C 13 30.495 0.3 . 1 . . . . 106 MET CG . 18113 1 1158 . 1 1 106 106 MET N N 15 116.031 0.3 . 1 . . . . 106 MET N . 18113 1 1159 . 1 1 107 107 ILE H H 1 7.110 0.020 . 1 . . . . 107 ILE H . 18113 1 1160 . 1 1 107 107 ILE HA H 1 3.292 0.020 . 1 . . . . 107 ILE HA . 18113 1 1161 . 1 1 107 107 ILE HB H 1 1.441 0.020 . 1 . . . . 107 ILE HB . 18113 1 1162 . 1 1 107 107 ILE HG12 H 1 0.675 0.020 . 1 . . . . 107 ILE HG12 . 18113 1 1163 . 1 1 107 107 ILE HG13 H 1 0.675 0.020 . 1 . . . . 107 ILE HG13 . 18113 1 1164 . 1 1 107 107 ILE HG21 H 1 0.293 0.020 . 1 . . . . 107 ILE QG2 . 18113 1 1165 . 1 1 107 107 ILE HG22 H 1 0.293 0.020 . 1 . . . . 107 ILE QG2 . 18113 1 1166 . 1 1 107 107 ILE HG23 H 1 0.293 0.020 . 1 . . . . 107 ILE QG2 . 18113 1 1167 . 1 1 107 107 ILE HD11 H 1 -0.253 0.020 . 1 . . . . 107 ILE QD1 . 18113 1 1168 . 1 1 107 107 ILE HD12 H 1 -0.253 0.020 . 1 . . . . 107 ILE QD1 . 18113 1 1169 . 1 1 107 107 ILE HD13 H 1 -0.253 0.020 . 1 . . . . 107 ILE QD1 . 18113 1 1170 . 1 1 107 107 ILE C C 13 175.963 0.3 . 1 . . . . 107 ILE C . 18113 1 1171 . 1 1 107 107 ILE CA C 13 63.564 0.3 . 1 . . . . 107 ILE CA . 18113 1 1172 . 1 1 107 107 ILE CB C 13 37.863 0.3 . 1 . . . . 107 ILE CB . 18113 1 1173 . 1 1 107 107 ILE CG1 C 13 28.163 0.3 . 1 . . . . 107 ILE CG1 . 18113 1 1174 . 1 1 107 107 ILE CG2 C 13 17.789 0.3 . 1 . . . . 107 ILE CG2 . 18113 1 1175 . 1 1 107 107 ILE CD1 C 13 14.049 0.3 . 1 . . . . 107 ILE CD1 . 18113 1 1176 . 1 1 107 107 ILE N N 15 119.487 0.3 . 1 . . . . 107 ILE N . 18113 1 1177 . 1 1 108 108 LYS H H 1 7.166 0.020 . 1 . . . . 108 LYS H . 18113 1 1178 . 1 1 108 108 LYS HA H 1 4.228 0.020 . 1 . . . . 108 LYS HA . 18113 1 1179 . 1 1 108 108 LYS HB2 H 1 1.681 0.020 . 2 . . . . 108 LYS HB2 . 18113 1 1180 . 1 1 108 108 LYS HB3 H 1 1.613 0.020 . 2 . . . . 108 LYS HB3 . 18113 1 1181 . 1 1 108 108 LYS HG2 H 1 1.415 0.020 . 2 . . . . 108 LYS HG2 . 18113 1 1182 . 1 1 108 108 LYS HG3 H 1 1.390 0.020 . 2 . . . . 108 LYS HG3 . 18113 1 1183 . 1 1 108 108 LYS HD2 H 1 1.657 0.020 . 2 . . . . 108 LYS HD2 . 18113 1 1184 . 1 1 108 108 LYS HD3 H 1 1.609 0.020 . 2 . . . . 108 LYS HD3 . 18113 1 1185 . 1 1 108 108 LYS HE2 H 1 3.005 0.020 . 2 . . . . 108 LYS HE2 . 18113 1 1186 . 1 1 108 108 LYS HE3 H 1 2.940 0.020 . 2 . . . . 108 LYS HE3 . 18113 1 1187 . 1 1 108 108 LYS C C 13 175.337 0.3 . 1 . . . . 108 LYS C . 18113 1 1188 . 1 1 108 108 LYS CA C 13 55.631 0.3 . 1 . . . . 108 LYS CA . 18113 1 1189 . 1 1 108 108 LYS CB C 13 32.555 0.3 . 1 . . . . 108 LYS CB . 18113 1 1190 . 1 1 108 108 LYS CG C 13 24.402 0.3 . 1 . . . . 108 LYS CG . 18113 1 1191 . 1 1 108 108 LYS CD C 13 29.044 0.3 . 1 . . . . 108 LYS CD . 18113 1 1192 . 1 1 108 108 LYS CE C 13 42.080 0.3 . 1 . . . . 108 LYS CE . 18113 1 1193 . 1 1 108 108 LYS N N 15 116.534 0.3 . 1 . . . . 108 LYS N . 18113 1 1194 . 1 1 109 109 ALA H H 1 7.296 0.020 . 1 . . . . 109 ALA H . 18113 1 1195 . 1 1 109 109 ALA HA H 1 4.001 0.020 . 1 . . . . 109 ALA HA . 18113 1 1196 . 1 1 109 109 ALA HB1 H 1 1.392 0.020 . 1 . . . . 109 ALA QB . 18113 1 1197 . 1 1 109 109 ALA HB2 H 1 1.392 0.020 . 1 . . . . 109 ALA QB . 18113 1 1198 . 1 1 109 109 ALA HB3 H 1 1.392 0.020 . 1 . . . . 109 ALA QB . 18113 1 1199 . 1 1 109 109 ALA C C 13 182.721 0.3 . 1 . . . . 109 ALA C . 18113 1 1200 . 1 1 109 109 ALA CA C 13 54.562 0.3 . 1 . . . . 109 ALA CA . 18113 1 1201 . 1 1 109 109 ALA CB C 13 19.175 0.3 . 1 . . . . 109 ALA CB . 18113 1 1202 . 1 1 109 109 ALA N N 15 128.433 0.3 . 1 . . . . 109 ALA N . 18113 1 stop_ save_