data_19459 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19459 _Entry.Title ; CR1~1-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-27 _Entry.Accession_date 2013-08-27 _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 'Recombinant CR1 fragment, domains 1-2' _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 Hyon Park . J. . 19459 2 Mara Guariento . J. . 19459 3 Mateusz Maciejewski . . . 19459 4 Richard Hauart . . . 19459 5 Wai-Hong Tham . . . 19459 6 Alan Cowman . F. . 19459 7 Christoph Schmidt . Q. . 19459 8 Haydyn Martens . . . 19459 9 Kathryn Liszewski . M. . 19459 10 Dennis Hourcade . . . 19459 11 Paul Barlow . N. . 19459 12 John Atkinson . P. . 19459 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19459 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CCP . 19459 CR1 . 19459 malaria . 19459 PfRh4 . 19459 'Plasmodium falciparum' . 19459 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19459 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 518 19459 '15N chemical shifts' 121 19459 '1H chemical shifts' 731 19459 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 . . 2014-02-03 2013-08-30 update BMRB 'update entry citation' 19459 1 . . 2013-11-11 2013-08-30 original author 'original release' 19459 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19458 'Recombinant CR1 fragment, domains 2-3' 19459 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19459 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24214979 _Citation.Full_citation . _Citation.Title 'Using Mutagenesis and Structural Biology to Map the Binding Site for the Plasmodium falciparum Merozoite Protein PfRh4 on the Human Immune Adherence Receptor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 1 _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 450 _Citation.Page_last 463 _Citation.Year 2014 _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 'Hyon Ju' Park . . . 19459 1 2 Mara Guariento . . . 19459 1 3 Mateusz Maciejewski . . . 19459 1 4 Richard Hauhart . . . 19459 1 5 Wai-Hong Tham . . . 19459 1 6 Alan Cowman . F. . 19459 1 7 Christoph Schmidt . Q. . 19459 1 8 Haydyn Mertens . D.T. . 19459 1 9 'M. Kathryn' Liszewski . . . 19459 1 10 Dennis Hourcade . E. . 19459 1 11 Paul Barlow . N. . 19459 1 12 John Atkinson . P. . 19459 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19459 _Assembly.ID 1 _Assembly.Name 'Recombinant CR1 fragment, domains 1-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Recombinant CR1 fragment, domains 1-2' 1 $CR1_1-2 A . yes native no no . . . 19459 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CR1_1-2 _Entity.Sf_category entity _Entity.Sf_framecode CR1_1-2 _Entity.Entry_ID 19459 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CR1_1-2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EAEAAGQCNAPEWLPFARPT QLTDEFEFPIGTYLNYECRP GYSGRPFSIICLKNSVWTGA KDRCRRKSCRNPPDPVNGMV HVIKGIQFGSQIKYSCTKGY RLIGSSSATCIISGDTVIWD QETPICDR ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13771.797 _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 2MCZ . "Cr1 Sushi Domains 1 And 2" . . . . . 100.00 128 100.00 100.00 3.48e-89 . . . . 19459 1 2 no DBJ BAG60695 . "unnamed protein product [Homo sapiens]" . . . . . 75.00 134 97.92 97.92 3.49e-62 . . . . 19459 1 3 no GB AAD15289 . "complement receptor 1, partial [Homo sapiens]" . . . . . 96.88 162 97.58 97.58 6.13e-83 . . . . 19459 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 -5 GLU . 19459 1 2 -4 ALA . 19459 1 3 -3 GLU . 19459 1 4 -2 ALA . 19459 1 5 -1 ALA . 19459 1 6 0 GLY . 19459 1 7 1 GLN . 19459 1 8 2 CYS . 19459 1 9 3 ASN . 19459 1 10 4 ALA . 19459 1 11 5 PRO . 19459 1 12 6 GLU . 19459 1 13 7 TRP . 19459 1 14 8 LEU . 19459 1 15 9 PRO . 19459 1 16 10 PHE . 19459 1 17 11 ALA . 19459 1 18 12 ARG . 19459 1 19 13 PRO . 19459 1 20 14 THR . 19459 1 21 15 GLN . 19459 1 22 16 LEU . 19459 1 23 17 THR . 19459 1 24 18 ASP . 19459 1 25 19 GLU . 19459 1 26 20 PHE . 19459 1 27 21 GLU . 19459 1 28 22 PHE . 19459 1 29 23 PRO . 19459 1 30 24 ILE . 19459 1 31 25 GLY . 19459 1 32 26 THR . 19459 1 33 27 TYR . 19459 1 34 28 LEU . 19459 1 35 29 ASN . 19459 1 36 30 TYR . 19459 1 37 31 GLU . 19459 1 38 32 CYS . 19459 1 39 33 ARG . 19459 1 40 34 PRO . 19459 1 41 35 GLY . 19459 1 42 36 TYR . 19459 1 43 37 SER . 19459 1 44 38 GLY . 19459 1 45 39 ARG . 19459 1 46 40 PRO . 19459 1 47 41 PHE . 19459 1 48 42 SER . 19459 1 49 43 ILE . 19459 1 50 44 ILE . 19459 1 51 45 CYS . 19459 1 52 46 LEU . 19459 1 53 47 LYS . 19459 1 54 48 ASN . 19459 1 55 49 SER . 19459 1 56 50 VAL . 19459 1 57 51 TRP . 19459 1 58 52 THR . 19459 1 59 53 GLY . 19459 1 60 54 ALA . 19459 1 61 55 LYS . 19459 1 62 56 ASP . 19459 1 63 57 ARG . 19459 1 64 58 CYS . 19459 1 65 59 ARG . 19459 1 66 60 ARG . 19459 1 67 61 LYS . 19459 1 68 62 SER . 19459 1 69 63 CYS . 19459 1 70 64 ARG . 19459 1 71 65 ASN . 19459 1 72 66 PRO . 19459 1 73 67 PRO . 19459 1 74 68 ASP . 19459 1 75 69 PRO . 19459 1 76 70 VAL . 19459 1 77 71 ASN . 19459 1 78 72 GLY . 19459 1 79 73 MET . 19459 1 80 74 VAL . 19459 1 81 75 HIS . 19459 1 82 76 VAL . 19459 1 83 77 ILE . 19459 1 84 78 LYS . 19459 1 85 79 GLY . 19459 1 86 80 ILE . 19459 1 87 81 GLN . 19459 1 88 82 PHE . 19459 1 89 83 GLY . 19459 1 90 84 SER . 19459 1 91 85 GLN . 19459 1 92 86 ILE . 19459 1 93 87 LYS . 19459 1 94 88 TYR . 19459 1 95 89 SER . 19459 1 96 90 CYS . 19459 1 97 91 THR . 19459 1 98 92 LYS . 19459 1 99 93 GLY . 19459 1 100 94 TYR . 19459 1 101 95 ARG . 19459 1 102 96 LEU . 19459 1 103 97 ILE . 19459 1 104 98 GLY . 19459 1 105 99 SER . 19459 1 106 100 SER . 19459 1 107 101 SER . 19459 1 108 102 ALA . 19459 1 109 103 THR . 19459 1 110 104 CYS . 19459 1 111 105 ILE . 19459 1 112 106 ILE . 19459 1 113 107 SER . 19459 1 114 108 GLY . 19459 1 115 109 ASP . 19459 1 116 110 THR . 19459 1 117 111 VAL . 19459 1 118 112 ILE . 19459 1 119 113 TRP . 19459 1 120 114 ASP . 19459 1 121 115 GLN . 19459 1 122 116 GLU . 19459 1 123 117 THR . 19459 1 124 118 PRO . 19459 1 125 119 ILE . 19459 1 126 120 CYS . 19459 1 127 121 ASP . 19459 1 128 122 ARG . 19459 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 . GLU 1 1 19459 1 . ALA 2 2 19459 1 . GLU 3 3 19459 1 . ALA 4 4 19459 1 . ALA 5 5 19459 1 . GLY 6 6 19459 1 . GLN 7 7 19459 1 . CYS 8 8 19459 1 . ASN 9 9 19459 1 . ALA 10 10 19459 1 . PRO 11 11 19459 1 . GLU 12 12 19459 1 . TRP 13 13 19459 1 . LEU 14 14 19459 1 . PRO 15 15 19459 1 . PHE 16 16 19459 1 . ALA 17 17 19459 1 . ARG 18 18 19459 1 . PRO 19 19 19459 1 . THR 20 20 19459 1 . GLN 21 21 19459 1 . LEU 22 22 19459 1 . THR 23 23 19459 1 . ASP 24 24 19459 1 . GLU 25 25 19459 1 . PHE 26 26 19459 1 . GLU 27 27 19459 1 . PHE 28 28 19459 1 . PRO 29 29 19459 1 . ILE 30 30 19459 1 . GLY 31 31 19459 1 . THR 32 32 19459 1 . TYR 33 33 19459 1 . LEU 34 34 19459 1 . ASN 35 35 19459 1 . TYR 36 36 19459 1 . GLU 37 37 19459 1 . CYS 38 38 19459 1 . ARG 39 39 19459 1 . PRO 40 40 19459 1 . GLY 41 41 19459 1 . TYR 42 42 19459 1 . SER 43 43 19459 1 . GLY 44 44 19459 1 . ARG 45 45 19459 1 . PRO 46 46 19459 1 . PHE 47 47 19459 1 . SER 48 48 19459 1 . ILE 49 49 19459 1 . ILE 50 50 19459 1 . CYS 51 51 19459 1 . LEU 52 52 19459 1 . LYS 53 53 19459 1 . ASN 54 54 19459 1 . SER 55 55 19459 1 . VAL 56 56 19459 1 . TRP 57 57 19459 1 . THR 58 58 19459 1 . GLY 59 59 19459 1 . ALA 60 60 19459 1 . LYS 61 61 19459 1 . ASP 62 62 19459 1 . ARG 63 63 19459 1 . CYS 64 64 19459 1 . ARG 65 65 19459 1 . ARG 66 66 19459 1 . LYS 67 67 19459 1 . SER 68 68 19459 1 . CYS 69 69 19459 1 . ARG 70 70 19459 1 . ASN 71 71 19459 1 . PRO 72 72 19459 1 . PRO 73 73 19459 1 . ASP 74 74 19459 1 . PRO 75 75 19459 1 . VAL 76 76 19459 1 . ASN 77 77 19459 1 . GLY 78 78 19459 1 . MET 79 79 19459 1 . VAL 80 80 19459 1 . HIS 81 81 19459 1 . VAL 82 82 19459 1 . ILE 83 83 19459 1 . LYS 84 84 19459 1 . GLY 85 85 19459 1 . ILE 86 86 19459 1 . GLN 87 87 19459 1 . PHE 88 88 19459 1 . GLY 89 89 19459 1 . SER 90 90 19459 1 . GLN 91 91 19459 1 . ILE 92 92 19459 1 . LYS 93 93 19459 1 . TYR 94 94 19459 1 . SER 95 95 19459 1 . CYS 96 96 19459 1 . THR 97 97 19459 1 . LYS 98 98 19459 1 . GLY 99 99 19459 1 . TYR 100 100 19459 1 . ARG 101 101 19459 1 . LEU 102 102 19459 1 . ILE 103 103 19459 1 . GLY 104 104 19459 1 . SER 105 105 19459 1 . SER 106 106 19459 1 . SER 107 107 19459 1 . ALA 108 108 19459 1 . THR 109 109 19459 1 . CYS 110 110 19459 1 . ILE 111 111 19459 1 . ILE 112 112 19459 1 . SER 113 113 19459 1 . GLY 114 114 19459 1 . ASP 115 115 19459 1 . THR 116 116 19459 1 . VAL 117 117 19459 1 . ILE 118 118 19459 1 . TRP 119 119 19459 1 . ASP 120 120 19459 1 . GLN 121 121 19459 1 . GLU 122 122 19459 1 . THR 123 123 19459 1 . PRO 124 124 19459 1 . ILE 125 125 19459 1 . CYS 126 126 19459 1 . ASP 127 127 19459 1 . ARG 128 128 19459 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 19459 _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 $CR1_1-2 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19459 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 19459 _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 $CR1_1-2 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . . . . . . . . . . . pPICZaB . . . . . . 19459 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19459 _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 'CR1 1-2' '[U-99% 13C; U-99% 15N]' . . 1 $CR1_1-2 . . 0.56 . . mM . . . . 19459 1 2 'sodium acetate' '[U-100% 2H]' . . . . . . 20 . . mM . . . . 19459 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19459 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19459 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19459 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'CR1 1-2' '[U-99% 13C; U-99% 15N]' . . 1 $CR1_1-2 . . 0.56 . . mM . . . . 19459 2 2 'sodium acetate' '[U-100% 2H]' . . . . . . 20 . . mM . . . . 19459 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19459 2 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 19459 _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 4 . pH 19459 1 pressure 1 . atm 19459 1 temperature 310 . K 19459 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19459 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19459 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19459 1 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 19459 _Software.ID 2 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 19459 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19459 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19459 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19459 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19459 3 'structure solution' 19459 3 stop_ save_ save_CCPNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNmr_Analysis _Software.Entry_ID 19459 _Software.ID 4 _Software.Name ANALYSIS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19459 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19459 4 'peak picking' 19459 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19459 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19459 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Quality assessment' 19459 5 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 19459 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19459 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19459 _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 . 600 . . . 19459 1 2 spectrometer_2 Bruker Avance . 800 . . . 19459 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 19459 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19459 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19459 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19459 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19459 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19459 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19459 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19459 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19459 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode ref_1 _Chem_shift_reference.Entry_ID 19459 _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 indirect 0.251449530 . . . . . . . . . 19459 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19459 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19459 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 19459 _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 $ref_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 2 '3D CBCA(CO)NH' . . . 19459 1 3 '3D HNCACB' . . . 19459 1 4 '3D HBHA(CO)NH' . . . 19459 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 6 6 GLY H H 1 8.3724 . . . . . . . 0 GLY H . 19459 1 2 . 1 1 6 6 GLY HA2 H 1 3.9244 . . . . . . . 0 GLY HA2 . 19459 1 3 . 1 1 6 6 GLY C C 13 176.2039 . . . . . . . 0 GLY C . 19459 1 4 . 1 1 6 6 GLY CA C 13 45.3931 . . . . . . . 0 GLY CA . 19459 1 5 . 1 1 6 6 GLY N N 15 108.0758 . . . . . . . 0 GLY N . 19459 1 6 . 1 1 7 7 GLN H H 1 8.0102 . . . . . . A 1 GLN H . 19459 1 7 . 1 1 7 7 GLN HA H 1 4.7612 . . . . . . A 1 GLN HA . 19459 1 8 . 1 1 7 7 GLN HB2 H 1 1.7306 . . . . . . A 1 GLN HB2 . 19459 1 9 . 1 1 7 7 GLN HB3 H 1 2.1291 . . . . . . A 1 GLN HB3 . 19459 1 10 . 1 1 7 7 GLN HE21 H 1 7.2537 . . . . . . A 1 GLN HE21 . 19459 1 11 . 1 1 7 7 GLN HE22 H 1 6.4960 . . . . . . A 1 GLN HE22 . 19459 1 12 . 1 1 7 7 GLN C C 13 173.1441 . . . . . . A 1 GLN C . 19459 1 13 . 1 1 7 7 GLN CA C 13 55.1125 . . . . . . A 1 GLN CA . 19459 1 14 . 1 1 7 7 GLN CB C 13 31.5673 . . . . . . A 1 GLN CB . 19459 1 15 . 1 1 7 7 GLN CG C 13 33.1703 . . . . . . A 1 GLN CG . 19459 1 16 . 1 1 7 7 GLN N N 15 116.8195 . . . . . . A 1 GLN N . 19459 1 17 . 1 1 7 7 GLN NE2 N 15 110.0200 . . . . . . A 1 GLN NE2 . 19459 1 18 . 1 1 8 8 CYS H H 1 9.3274 . . . . . . A 2 CYS H . 19459 1 19 . 1 1 8 8 CYS HA H 1 4.5275 . . . . . . A 2 CYS HA . 19459 1 20 . 1 1 8 8 CYS HB2 H 1 2.3753 . . . . . . A 2 CYS HB2 . 19459 1 21 . 1 1 8 8 CYS HB3 H 1 3.2723 . . . . . . A 2 CYS HB3 . 19459 1 22 . 1 1 8 8 CYS C C 13 174.0229 . . . . . . A 2 CYS C . 19459 1 23 . 1 1 8 8 CYS CA C 13 58.9719 . . . . . . A 2 CYS CA . 19459 1 24 . 1 1 8 8 CYS CB C 13 45.0591 . . . . . . A 2 CYS CB . 19459 1 25 . 1 1 8 8 CYS N N 15 117.9668 . . . . . . A 2 CYS N . 19459 1 26 . 1 1 9 9 ASN H H 1 8.6858 . . . . . . A 3 ASN H . 19459 1 27 . 1 1 9 9 ASN HA H 1 5.2486 . . . . . . A 3 ASN HA . 19459 1 28 . 1 1 9 9 ASN HB2 H 1 2.8026 . . . . . . A 3 ASN HB2 . 19459 1 29 . 1 1 9 9 ASN HB3 H 1 3.2137 . . . . . . A 3 ASN HB3 . 19459 1 30 . 1 1 9 9 ASN HD21 H 1 7.7297 . . . . . . A 3 ASN HD21 . 19459 1 31 . 1 1 9 9 ASN HD22 H 1 7.1033 . . . . . . A 3 ASN HD22 . 19459 1 32 . 1 1 9 9 ASN C C 13 175.0270 . . . . . . A 3 ASN C . 19459 1 33 . 1 1 9 9 ASN CA C 13 52.5127 . . . . . . A 3 ASN CA . 19459 1 34 . 1 1 9 9 ASN CB C 13 39.6429 . . . . . . A 3 ASN CB . 19459 1 35 . 1 1 9 9 ASN N N 15 119.7224 . . . . . . A 3 ASN N . 19459 1 36 . 1 1 9 9 ASN ND2 N 15 113.1637 . . . . . . A 3 ASN ND2 . 19459 1 37 . 1 1 10 10 ALA H H 1 8.4010 . . . . . . A 4 ALA H . 19459 1 38 . 1 1 10 10 ALA HA H 1 4.4289 . . . . . . A 4 ALA HA . 19459 1 39 . 1 1 10 10 ALA HB1 H 1 1.5387 . . . . . . A 4 ALA HB1 . 19459 1 40 . 1 1 10 10 ALA HB2 H 1 1.5387 . . . . . . A 4 ALA HB2 . 19459 1 41 . 1 1 10 10 ALA HB3 H 1 1.5387 . . . . . . A 4 ALA HB3 . 19459 1 42 . 1 1 10 10 ALA C C 13 173.5165 . . . . . . A 4 ALA C . 19459 1 43 . 1 1 10 10 ALA CA C 13 51.8135 . . . . . . A 4 ALA CA . 19459 1 44 . 1 1 10 10 ALA CB C 13 16.9868 . . . . . . A 4 ALA CB . 19459 1 45 . 1 1 10 10 ALA N N 15 122.4031 . . . . . . A 4 ALA N . 19459 1 46 . 1 1 11 11 PRO HA H 1 3.9077 . . . . . . A 5 PRO HA . 19459 1 47 . 1 1 11 11 PRO HB2 H 1 0.7550 . . . . . . A 5 PRO HB2 . 19459 1 48 . 1 1 11 11 PRO HB3 H 1 1.2616 . . . . . . A 5 PRO HB3 . 19459 1 49 . 1 1 11 11 PRO HG2 H 1 0.2060 . . . . . . A 5 PRO HG2 . 19459 1 50 . 1 1 11 11 PRO HD2 H 1 2.8938 . . . . . . A 5 PRO HD2 . 19459 1 51 . 1 1 11 11 PRO HD3 H 1 3.2527 . . . . . . A 5 PRO HD3 . 19459 1 52 . 1 1 11 11 PRO C C 13 172.8060 . . . . . . A 5 PRO C . 19459 1 53 . 1 1 11 11 PRO CA C 13 62.4511 . . . . . . A 5 PRO CA . 19459 1 54 . 1 1 11 11 PRO CB C 13 31.5519 . . . . . . A 5 PRO CB . 19459 1 55 . 1 1 11 11 PRO CG C 13 27.1661 . . . . . . A 5 PRO CG . 19459 1 56 . 1 1 11 11 PRO CD C 13 49.8261 . . . . . . A 5 PRO CD . 19459 1 57 . 1 1 12 12 GLU H H 1 8.4433 . . . . . . A 6 GLU H . 19459 1 58 . 1 1 12 12 GLU HA H 1 4.1908 . . . . . . A 6 GLU HA . 19459 1 59 . 1 1 12 12 GLU HB2 H 1 2.0569 . . . . . . A 6 GLU HB2 . 19459 1 60 . 1 1 12 12 GLU HG2 H 1 2.3910 . . . . . . A 6 GLU HG2 . 19459 1 61 . 1 1 12 12 GLU C C 13 172.8348 . . . . . . A 6 GLU C . 19459 1 62 . 1 1 12 12 GLU CA C 13 56.1746 . . . . . . A 6 GLU CA . 19459 1 63 . 1 1 12 12 GLU CB C 13 29.9639 . . . . . . A 6 GLU CB . 19459 1 64 . 1 1 12 12 GLU CG C 13 35.5908 . . . . . . A 6 GLU CG . 19459 1 65 . 1 1 12 12 GLU N N 15 121.2956 . . . . . . A 6 GLU N . 19459 1 66 . 1 1 13 13 TRP H H 1 8.6738 . . . . . . A 7 TRP H . 19459 1 67 . 1 1 13 13 TRP HA H 1 3.9320 . . . . . . A 7 TRP HA . 19459 1 68 . 1 1 13 13 TRP HB2 H 1 3.1232 . . . . . . A 7 TRP HB2 . 19459 1 69 . 1 1 13 13 TRP HB3 H 1 3.2683 . . . . . . A 7 TRP HB3 . 19459 1 70 . 1 1 13 13 TRP HD1 H 1 7.2261 . . . . . . A 7 TRP HD1 . 19459 1 71 . 1 1 13 13 TRP HE1 H 1 10.0488 . . . . . . A 7 TRP HE1 . 19459 1 72 . 1 1 13 13 TRP HE3 H 1 7.3941 . . . . . . A 7 TRP HE3 . 19459 1 73 . 1 1 13 13 TRP HZ2 H 1 7.3894 . . . . . . A 7 TRP HZ2 . 19459 1 74 . 1 1 13 13 TRP HZ3 H 1 7.0463 . . . . . . A 7 TRP HZ3 . 19459 1 75 . 1 1 13 13 TRP HH2 H 1 7.2045 . . . . . . A 7 TRP HH2 . 19459 1 76 . 1 1 13 13 TRP C C 13 174.2363 . . . . . . A 7 TRP C . 19459 1 77 . 1 1 13 13 TRP CA C 13 59.9122 . . . . . . A 7 TRP CA . 19459 1 78 . 1 1 13 13 TRP CB C 13 29.0334 . . . . . . A 7 TRP CB . 19459 1 79 . 1 1 13 13 TRP CD1 C 13 127.2073 . . . . . . A 7 TRP CD1 . 19459 1 80 . 1 1 13 13 TRP CE3 C 13 120.5571 . . . . . . A 7 TRP CE3 . 19459 1 81 . 1 1 13 13 TRP CZ2 C 13 114.4718 . . . . . . A 7 TRP CZ2 . 19459 1 82 . 1 1 13 13 TRP CZ3 C 13 121.1886 . . . . . . A 7 TRP CZ3 . 19459 1 83 . 1 1 13 13 TRP CH2 C 13 124.0969 . . . . . . A 7 TRP CH2 . 19459 1 84 . 1 1 13 13 TRP N N 15 124.7463 . . . . . . A 7 TRP N . 19459 1 85 . 1 1 13 13 TRP NE1 N 15 130.0747 . . . . . . A 7 TRP NE1 . 19459 1 86 . 1 1 14 14 LEU H H 1 7.9218 . . . . . . A 8 LEU H . 19459 1 87 . 1 1 14 14 LEU HA H 1 4.5565 . . . . . . A 8 LEU HA . 19459 1 88 . 1 1 14 14 LEU HB2 H 1 1.3205 . . . . . . A 8 LEU HB2 . 19459 1 89 . 1 1 14 14 LEU HB3 H 1 -0.2689 . . . . . . A 8 LEU HB3 . 19459 1 90 . 1 1 14 14 LEU HG H 1 1.4416 . . . . . . A 8 LEU HG . 19459 1 91 . 1 1 14 14 LEU HD11 H 1 0.2995 . . . . . . A 8 LEU HD11 . 19459 1 92 . 1 1 14 14 LEU HD12 H 1 0.2995 . . . . . . A 8 LEU HD12 . 19459 1 93 . 1 1 14 14 LEU HD13 H 1 0.2995 . . . . . . A 8 LEU HD13 . 19459 1 94 . 1 1 14 14 LEU HD21 H 1 0.5817 . . . . . . A 8 LEU HD21 . 19459 1 95 . 1 1 14 14 LEU HD22 H 1 0.5817 . . . . . . A 8 LEU HD22 . 19459 1 96 . 1 1 14 14 LEU HD23 H 1 0.5817 . . . . . . A 8 LEU HD23 . 19459 1 97 . 1 1 14 14 LEU CA C 13 49.9650 . . . . . . A 8 LEU CA . 19459 1 98 . 1 1 14 14 LEU CB C 13 42.8931 . . . . . . A 8 LEU CB . 19459 1 99 . 1 1 14 14 LEU CG C 13 25.7170 . . . . . . A 8 LEU CG . 19459 1 100 . 1 1 14 14 LEU CD1 C 13 25.3715 . . . . . . A 8 LEU CD1 . 19459 1 101 . 1 1 14 14 LEU CD2 C 13 22.5285 . . . . . . A 8 LEU CD2 . 19459 1 102 . 1 1 14 14 LEU N N 15 125.7821 . . . . . . A 8 LEU N . 19459 1 103 . 1 1 15 15 PRO HA H 1 3.5980 . . . . . . A 9 PRO HA . 19459 1 104 . 1 1 15 15 PRO HB2 H 1 1.9196 . . . . . . A 9 PRO HB2 . 19459 1 105 . 1 1 15 15 PRO HB3 H 1 2.4042 . . . . . . A 9 PRO HB3 . 19459 1 106 . 1 1 15 15 PRO HG2 H 1 2.0395 . . . . . . A 9 PRO HG2 . 19459 1 107 . 1 1 15 15 PRO HG3 H 1 2.2076 . . . . . . A 9 PRO HG3 . 19459 1 108 . 1 1 15 15 PRO HD2 H 1 3.4096 . . . . . . A 9 PRO HD2 . 19459 1 109 . 1 1 15 15 PRO HD3 H 1 3.5080 . . . . . . A 9 PRO HD3 . 19459 1 110 . 1 1 15 15 PRO C C 13 172.9610 . . . . . . A 9 PRO C . 19459 1 111 . 1 1 15 15 PRO CA C 13 63.5401 . . . . . . A 9 PRO CA . 19459 1 112 . 1 1 15 15 PRO CB C 13 31.4370 . . . . . . A 9 PRO CB . 19459 1 113 . 1 1 15 15 PRO CG C 13 27.3144 . . . . . . A 9 PRO CG . 19459 1 114 . 1 1 15 15 PRO CD C 13 50.5650 . . . . . . A 9 PRO CD . 19459 1 115 . 1 1 16 16 PHE H H 1 5.5875 . . . . . . A 10 PHE H . 19459 1 116 . 1 1 16 16 PHE HA H 1 3.6089 . . . . . . A 10 PHE HA . 19459 1 117 . 1 1 16 16 PHE HB2 H 1 2.2873 . . . . . . A 10 PHE HB2 . 19459 1 118 . 1 1 16 16 PHE HB3 H 1 2.4988 . . . . . . A 10 PHE HB3 . 19459 1 119 . 1 1 16 16 PHE HD1 H 1 6.9179 . . . . . . A 10 PHE HD1 . 19459 1 120 . 1 1 16 16 PHE HD2 H 1 6.9179 . . . . . . A 10 PHE HD2 . 19459 1 121 . 1 1 16 16 PHE HE1 H 1 7.3344 . . . . . . A 10 PHE HE1 . 19459 1 122 . 1 1 16 16 PHE HE2 H 1 7.3344 . . . . . . A 10 PHE HE2 . 19459 1 123 . 1 1 16 16 PHE C C 13 175.5353 . . . . . . A 10 PHE C . 19459 1 124 . 1 1 16 16 PHE CA C 13 53.8571 . . . . . . A 10 PHE CA . 19459 1 125 . 1 1 16 16 PHE CB C 13 40.7746 . . . . . . A 10 PHE CB . 19459 1 126 . 1 1 16 16 PHE CD1 C 13 132.5460 . . . . . . A 10 PHE CD1 . 19459 1 127 . 1 1 16 16 PHE CD2 C 13 132.5460 . . . . . . A 10 PHE CD2 . 19459 1 128 . 1 1 16 16 PHE CE1 C 13 131.8991 . . . . . . A 10 PHE CE1 . 19459 1 129 . 1 1 16 16 PHE CE2 C 13 131.8991 . . . . . . A 10 PHE CE2 . 19459 1 130 . 1 1 16 16 PHE N N 15 106.8630 . . . . . . A 10 PHE N . 19459 1 131 . 1 1 17 17 ALA H H 1 6.3486 . . . . . . A 11 ALA H . 19459 1 132 . 1 1 17 17 ALA HA H 1 5.1430 . . . . . . A 11 ALA HA . 19459 1 133 . 1 1 17 17 ALA HB1 H 1 1.4641 . . . . . . A 11 ALA HB1 . 19459 1 134 . 1 1 17 17 ALA HB2 H 1 1.4641 . . . . . . A 11 ALA HB2 . 19459 1 135 . 1 1 17 17 ALA HB3 H 1 1.4641 . . . . . . A 11 ALA HB3 . 19459 1 136 . 1 1 17 17 ALA C C 13 175.9184 . . . . . . A 11 ALA C . 19459 1 137 . 1 1 17 17 ALA CA C 13 51.8685 . . . . . . A 11 ALA CA . 19459 1 138 . 1 1 17 17 ALA CB C 13 24.7298 . . . . . . A 11 ALA CB . 19459 1 139 . 1 1 17 17 ALA N N 15 121.2144 . . . . . . A 11 ALA N . 19459 1 140 . 1 1 18 18 ARG H H 1 9.2187 . . . . . . A 12 ARG H . 19459 1 141 . 1 1 18 18 ARG HA H 1 4.6968 . . . . . . A 12 ARG HA . 19459 1 142 . 1 1 18 18 ARG C C 13 178.4991 . . . . . . A 12 ARG C . 19459 1 143 . 1 1 18 18 ARG CB C 13 30.8647 . . . . . . A 12 ARG CB . 19459 1 144 . 1 1 18 18 ARG N N 15 117.1597 . . . . . . A 12 ARG N . 19459 1 145 . 1 1 19 19 PRO HA H 1 3.6691 . . . . . . A 13 PRO HA . 19459 1 146 . 1 1 19 19 PRO HB2 H 1 1.5377 . . . . . . A 13 PRO HB2 . 19459 1 147 . 1 1 19 19 PRO HB3 H 1 1.7249 . . . . . . A 13 PRO HB3 . 19459 1 148 . 1 1 19 19 PRO HG2 H 1 1.8428 . . . . . . A 13 PRO HG2 . 19459 1 149 . 1 1 19 19 PRO HD2 H 1 3.1910 . . . . . . A 13 PRO HD2 . 19459 1 150 . 1 1 19 19 PRO HD3 H 1 3.5036 . . . . . . A 13 PRO HD3 . 19459 1 151 . 1 1 19 19 PRO C C 13 171.5546 . . . . . . A 13 PRO C . 19459 1 152 . 1 1 19 19 PRO CA C 13 61.3812 . . . . . . A 13 PRO CA . 19459 1 153 . 1 1 19 19 PRO CB C 13 31.5476 . . . . . . A 13 PRO CB . 19459 1 154 . 1 1 19 19 PRO CG C 13 27.1059 . . . . . . A 13 PRO CG . 19459 1 155 . 1 1 19 19 PRO CD C 13 50.1763 . . . . . . A 13 PRO CD . 19459 1 156 . 1 1 20 20 THR H H 1 8.0618 . . . . . . A 14 THR H . 19459 1 157 . 1 1 20 20 THR HA H 1 3.9055 . . . . . . A 14 THR HA . 19459 1 158 . 1 1 20 20 THR HB H 1 4.0854 . . . . . . A 14 THR HB . 19459 1 159 . 1 1 20 20 THR HG21 H 1 0.8925 . . . . . . A 14 THR HG21 . 19459 1 160 . 1 1 20 20 THR HG22 H 1 0.8925 . . . . . . A 14 THR HG22 . 19459 1 161 . 1 1 20 20 THR HG23 H 1 0.8925 . . . . . . A 14 THR HG23 . 19459 1 162 . 1 1 20 20 THR C C 13 174.3641 . . . . . . A 14 THR C . 19459 1 163 . 1 1 20 20 THR CA C 13 63.1801 . . . . . . A 14 THR CA . 19459 1 164 . 1 1 20 20 THR CB C 13 68.1545 . . . . . . A 14 THR CB . 19459 1 165 . 1 1 20 20 THR CG2 C 13 22.1502 . . . . . . A 14 THR CG2 . 19459 1 166 . 1 1 20 20 THR N N 15 112.8229 . . . . . . A 14 THR N . 19459 1 167 . 1 1 21 21 GLN H H 1 7.7580 . . . . . . A 15 GLN H . 19459 1 168 . 1 1 21 21 GLN HA H 1 4.5010 . . . . . . A 15 GLN HA . 19459 1 169 . 1 1 21 21 GLN HB2 H 1 1.9104 . . . . . . A 15 GLN HB2 . 19459 1 170 . 1 1 21 21 GLN HB3 H 1 2.0173 . . . . . . A 15 GLN HB3 . 19459 1 171 . 1 1 21 21 GLN HG2 H 1 2.2353 . . . . . . A 15 GLN HG2 . 19459 1 172 . 1 1 21 21 GLN HE21 H 1 7.5011 . . . . . . A 15 GLN HE21 . 19459 1 173 . 1 1 21 21 GLN HE22 H 1 6.9094 . . . . . . A 15 GLN HE22 . 19459 1 174 . 1 1 21 21 GLN C C 13 174.8153 . . . . . . A 15 GLN C . 19459 1 175 . 1 1 21 21 GLN CA C 13 54.3668 . . . . . . A 15 GLN CA . 19459 1 176 . 1 1 21 21 GLN CB C 13 31.1161 . . . . . . A 15 GLN CB . 19459 1 177 . 1 1 21 21 GLN CG C 13 33.8170 . . . . . . A 15 GLN CG . 19459 1 178 . 1 1 21 21 GLN N N 15 119.7362 . . . . . . A 15 GLN N . 19459 1 179 . 1 1 21 21 GLN NE2 N 15 112.2662 . . . . . . A 15 GLN NE2 . 19459 1 180 . 1 1 22 22 LEU H H 1 8.4584 . . . . . . A 16 LEU H . 19459 1 181 . 1 1 22 22 LEU HA H 1 4.3607 . . . . . . A 16 LEU HA . 19459 1 182 . 1 1 22 22 LEU HB2 H 1 1.5562 . . . . . . A 16 LEU HB2 . 19459 1 183 . 1 1 22 22 LEU HG H 1 1.5652 . . . . . . A 16 LEU HG . 19459 1 184 . 1 1 22 22 LEU HD11 H 1 0.8172 . . . . . . A 16 LEU HD11 . 19459 1 185 . 1 1 22 22 LEU HD12 H 1 0.8172 . . . . . . A 16 LEU HD12 . 19459 1 186 . 1 1 22 22 LEU HD13 H 1 0.8172 . . . . . . A 16 LEU HD13 . 19459 1 187 . 1 1 22 22 LEU HD21 H 1 0.8847 . . . . . . A 16 LEU HD21 . 19459 1 188 . 1 1 22 22 LEU HD22 H 1 0.8847 . . . . . . A 16 LEU HD22 . 19459 1 189 . 1 1 22 22 LEU HD23 H 1 0.8847 . . . . . . A 16 LEU HD23 . 19459 1 190 . 1 1 22 22 LEU C C 13 172.1665 . . . . . . A 16 LEU C . 19459 1 191 . 1 1 22 22 LEU CA C 13 55.2969 . . . . . . A 16 LEU CA . 19459 1 192 . 1 1 22 22 LEU CB C 13 42.0343 . . . . . . A 16 LEU CB . 19459 1 193 . 1 1 22 22 LEU CG C 13 27.1146 . . . . . . A 16 LEU CG . 19459 1 194 . 1 1 22 22 LEU CD1 C 13 23.9228 . . . . . . A 16 LEU CD1 . 19459 1 195 . 1 1 22 22 LEU CD2 C 13 24.8554 . . . . . . A 16 LEU CD2 . 19459 1 196 . 1 1 22 22 LEU N N 15 124.5833 . . . . . . A 16 LEU N . 19459 1 197 . 1 1 23 23 THR H H 1 8.3247 . . . . . . A 17 THR H . 19459 1 198 . 1 1 23 23 THR HA H 1 4.6335 . . . . . . A 17 THR HA . 19459 1 199 . 1 1 23 23 THR HB H 1 4.3179 . . . . . . A 17 THR HB . 19459 1 200 . 1 1 23 23 THR HG21 H 1 1.2581 . . . . . . A 17 THR HG21 . 19459 1 201 . 1 1 23 23 THR HG22 H 1 1.2581 . . . . . . A 17 THR HG22 . 19459 1 202 . 1 1 23 23 THR HG23 H 1 1.2581 . . . . . . A 17 THR HG23 . 19459 1 203 . 1 1 23 23 THR C C 13 175.7027 . . . . . . A 17 THR C . 19459 1 204 . 1 1 23 23 THR CA C 13 60.3583 . . . . . . A 17 THR CA . 19459 1 205 . 1 1 23 23 THR CB C 13 70.1099 . . . . . . A 17 THR CB . 19459 1 206 . 1 1 23 23 THR CG2 C 13 20.9078 . . . . . . A 17 THR CG2 . 19459 1 207 . 1 1 23 23 THR N N 15 116.7303 . . . . . . A 17 THR N . 19459 1 208 . 1 1 24 24 ASP H H 1 8.4871 . . . . . . A 18 ASP H . 19459 1 209 . 1 1 24 24 ASP HA H 1 4.7423 . . . . . . A 18 ASP HA . 19459 1 210 . 1 1 24 24 ASP HB2 H 1 2.7333 . . . . . . A 18 ASP HB2 . 19459 1 211 . 1 1 24 24 ASP C C 13 173.6416 . . . . . . A 18 ASP C . 19459 1 212 . 1 1 24 24 ASP CA C 13 53.2132 . . . . . . A 18 ASP CA . 19459 1 213 . 1 1 24 24 ASP CB C 13 39.9215 . . . . . . A 18 ASP CB . 19459 1 214 . 1 1 24 24 ASP N N 15 122.8386 . . . . . . A 18 ASP N . 19459 1 215 . 1 1 25 25 GLU H H 1 7.9310 . . . . . . A 19 GLU H . 19459 1 216 . 1 1 25 25 GLU HA H 1 4.0734 . . . . . . A 19 GLU HA . 19459 1 217 . 1 1 25 25 GLU HB2 H 1 1.6616 . . . . . . A 19 GLU HB2 . 19459 1 218 . 1 1 25 25 GLU HG2 H 1 1.9613 . . . . . . A 19 GLU HG2 . 19459 1 219 . 1 1 25 25 GLU HG3 H 1 2.1578 . . . . . . A 19 GLU HG3 . 19459 1 220 . 1 1 25 25 GLU C C 13 174.2491 . . . . . . A 19 GLU C . 19459 1 221 . 1 1 25 25 GLU CA C 13 56.1502 . . . . . . A 19 GLU CA . 19459 1 222 . 1 1 25 25 GLU CB C 13 29.3434 . . . . . . A 19 GLU CB . 19459 1 223 . 1 1 25 25 GLU CG C 13 33.8611 . . . . . . A 19 GLU CG . 19459 1 224 . 1 1 25 25 GLU N N 15 120.5234 . . . . . . A 19 GLU N . 19459 1 225 . 1 1 26 26 PHE H H 1 8.2786 . . . . . . A 20 PHE H . 19459 1 226 . 1 1 26 26 PHE HA H 1 4.7463 . . . . . . A 20 PHE HA . 19459 1 227 . 1 1 26 26 PHE HB2 H 1 3.0930 . . . . . . A 20 PHE HB2 . 19459 1 228 . 1 1 26 26 PHE HB3 H 1 2.9838 . . . . . . A 20 PHE HB3 . 19459 1 229 . 1 1 26 26 PHE HD1 H 1 7.2237 . . . . . . A 20 PHE HD1 . 19459 1 230 . 1 1 26 26 PHE HD2 H 1 7.2237 . . . . . . A 20 PHE HD2 . 19459 1 231 . 1 1 26 26 PHE HE1 H 1 7.2290 . . . . . . A 20 PHE HE1 . 19459 1 232 . 1 1 26 26 PHE HE2 H 1 7.2290 . . . . . . A 20 PHE HE2 . 19459 1 233 . 1 1 26 26 PHE C C 13 174.8850 . . . . . . A 20 PHE C . 19459 1 234 . 1 1 26 26 PHE CA C 13 57.5137 . . . . . . A 20 PHE CA . 19459 1 235 . 1 1 26 26 PHE CB C 13 40.4826 . . . . . . A 20 PHE CB . 19459 1 236 . 1 1 26 26 PHE CD1 C 13 132.1931 . . . . . . A 20 PHE CD1 . 19459 1 237 . 1 1 26 26 PHE CD2 C 13 132.1931 . . . . . . A 20 PHE CD2 . 19459 1 238 . 1 1 26 26 PHE CE1 C 13 131.4236 . . . . . . A 20 PHE CE1 . 19459 1 239 . 1 1 26 26 PHE CE2 C 13 131.4236 . . . . . . A 20 PHE CE2 . 19459 1 240 . 1 1 26 26 PHE N N 15 118.5002 . . . . . . A 20 PHE N . 19459 1 241 . 1 1 27 27 GLU H H 1 7.0217 . . . . . . A 21 GLU H . 19459 1 242 . 1 1 27 27 GLU HA H 1 5.0098 . . . . . . A 21 GLU HA . 19459 1 243 . 1 1 27 27 GLU HB2 H 1 1.6279 . . . . . . A 21 GLU HB2 . 19459 1 244 . 1 1 27 27 GLU HB3 H 1 1.8216 . . . . . . A 21 GLU HB3 . 19459 1 245 . 1 1 27 27 GLU HG2 H 1 2.1249 . . . . . . A 21 GLU HG2 . 19459 1 246 . 1 1 27 27 GLU C C 13 174.9005 . . . . . . A 21 GLU C . 19459 1 247 . 1 1 27 27 GLU CA C 13 54.2729 . . . . . . A 21 GLU CA . 19459 1 248 . 1 1 27 27 GLU CB C 13 31.3730 . . . . . . A 21 GLU CB . 19459 1 249 . 1 1 27 27 GLU CG C 13 33.1586 . . . . . . A 21 GLU CG . 19459 1 250 . 1 1 27 27 GLU N N 15 117.0801 . . . . . . A 21 GLU N . 19459 1 251 . 1 1 28 28 PHE H H 1 8.9744 . . . . . . A 22 PHE H . 19459 1 252 . 1 1 28 28 PHE HA H 1 4.9686 . . . . . . A 22 PHE HA . 19459 1 253 . 1 1 28 28 PHE HB2 H 1 2.7957 . . . . . . A 22 PHE HB2 . 19459 1 254 . 1 1 28 28 PHE HB3 H 1 3.1394 . . . . . . A 22 PHE HB3 . 19459 1 255 . 1 1 28 28 PHE HD1 H 1 7.2982 . . . . . . A 22 PHE HD1 . 19459 1 256 . 1 1 28 28 PHE HD2 H 1 7.2982 . . . . . . A 22 PHE HD2 . 19459 1 257 . 1 1 28 28 PHE HE1 H 1 7.2807 . . . . . . A 22 PHE HE1 . 19459 1 258 . 1 1 28 28 PHE HE2 H 1 7.2807 . . . . . . A 22 PHE HE2 . 19459 1 259 . 1 1 28 28 PHE C C 13 176.7085 . . . . . . A 22 PHE C . 19459 1 260 . 1 1 28 28 PHE CA C 13 54.7760 . . . . . . A 22 PHE CA . 19459 1 261 . 1 1 28 28 PHE CB C 13 41.7460 . . . . . . A 22 PHE CB . 19459 1 262 . 1 1 28 28 PHE CD1 C 13 132.4076 . . . . . . A 22 PHE CD1 . 19459 1 263 . 1 1 28 28 PHE CD2 C 13 132.4076 . . . . . . A 22 PHE CD2 . 19459 1 264 . 1 1 28 28 PHE CE1 C 13 131.4945 . . . . . . A 22 PHE CE1 . 19459 1 265 . 1 1 28 28 PHE CE2 C 13 131.4945 . . . . . . A 22 PHE CE2 . 19459 1 266 . 1 1 28 28 PHE N N 15 119.6554 . . . . . . A 22 PHE N . 19459 1 267 . 1 1 29 29 PRO HA H 1 4.5879 . . . . . . A 23 PRO HA . 19459 1 268 . 1 1 29 29 PRO HB2 H 1 1.8099 . . . . . . A 23 PRO HB2 . 19459 1 269 . 1 1 29 29 PRO HB3 H 1 2.3819 . . . . . . A 23 PRO HB3 . 19459 1 270 . 1 1 29 29 PRO HG2 H 1 2.0081 . . . . . . A 23 PRO HG2 . 19459 1 271 . 1 1 29 29 PRO HD2 H 1 3.8095 . . . . . . A 23 PRO HD2 . 19459 1 272 . 1 1 29 29 PRO C C 13 171.1626 . . . . . . A 23 PRO C . 19459 1 273 . 1 1 29 29 PRO CA C 13 62.4173 . . . . . . A 23 PRO CA . 19459 1 274 . 1 1 29 29 PRO CB C 13 32.6553 . . . . . . A 23 PRO CB . 19459 1 275 . 1 1 29 29 PRO CG C 13 27.4350 . . . . . . A 23 PRO CG . 19459 1 276 . 1 1 29 29 PRO CD C 13 50.7294 . . . . . . A 23 PRO CD . 19459 1 277 . 1 1 30 30 ILE H H 1 8.1988 . . . . . . A 24 ILE H . 19459 1 278 . 1 1 30 30 ILE HA H 1 3.4102 . . . . . . A 24 ILE HA . 19459 1 279 . 1 1 30 30 ILE HB H 1 1.5724 . . . . . . A 24 ILE HB . 19459 1 280 . 1 1 30 30 ILE HG12 H 1 1.0453 . . . . . . A 24 ILE HG12 . 19459 1 281 . 1 1 30 30 ILE HG13 H 1 1.3513 . . . . . . A 24 ILE HG13 . 19459 1 282 . 1 1 30 30 ILE HG21 H 1 0.7698 . . . . . . A 24 ILE HG21 . 19459 1 283 . 1 1 30 30 ILE HG22 H 1 0.7698 . . . . . . A 24 ILE HG22 . 19459 1 284 . 1 1 30 30 ILE HG23 H 1 0.7698 . . . . . . A 24 ILE HG23 . 19459 1 285 . 1 1 30 30 ILE HD11 H 1 0.7432 . . . . . . A 24 ILE HD11 . 19459 1 286 . 1 1 30 30 ILE HD12 H 1 0.7432 . . . . . . A 24 ILE HD12 . 19459 1 287 . 1 1 30 30 ILE HD13 H 1 0.7432 . . . . . . A 24 ILE HD13 . 19459 1 288 . 1 1 30 30 ILE C C 13 172.2829 . . . . . . A 24 ILE C . 19459 1 289 . 1 1 30 30 ILE CA C 13 64.0461 . . . . . . A 24 ILE CA . 19459 1 290 . 1 1 30 30 ILE CB C 13 37.4486 . . . . . . A 24 ILE CB . 19459 1 291 . 1 1 30 30 ILE CG1 C 13 28.3124 . . . . . . A 24 ILE CG1 . 19459 1 292 . 1 1 30 30 ILE CG2 C 13 17.4356 . . . . . . A 24 ILE CG2 . 19459 1 293 . 1 1 30 30 ILE CD1 C 13 13.3481 . . . . . . A 24 ILE CD1 . 19459 1 294 . 1 1 30 30 ILE N N 15 123.2383 . . . . . . A 24 ILE N . 19459 1 295 . 1 1 31 31 GLY H H 1 9.0609 . . . . . . A 25 GLY H . 19459 1 296 . 1 1 31 31 GLY HA2 H 1 4.3899 . . . . . . A 25 GLY HA2 . 19459 1 297 . 1 1 31 31 GLY HA3 H 1 3.4697 . . . . . . A 25 GLY HA3 . 19459 1 298 . 1 1 31 31 GLY C C 13 174.9269 . . . . . . A 25 GLY C . 19459 1 299 . 1 1 31 31 GLY CA C 13 44.4227 . . . . . . A 25 GLY CA . 19459 1 300 . 1 1 31 31 GLY N N 15 115.9622 . . . . . . A 25 GLY N . 19459 1 301 . 1 1 32 32 THR H H 1 7.7041 . . . . . . A 26 THR H . 19459 1 302 . 1 1 32 32 THR HA H 1 4.0809 . . . . . . A 26 THR HA . 19459 1 303 . 1 1 32 32 THR HB H 1 3.9588 . . . . . . A 26 THR HB . 19459 1 304 . 1 1 32 32 THR HG21 H 1 1.4741 . . . . . . A 26 THR HG21 . 19459 1 305 . 1 1 32 32 THR HG22 H 1 1.4741 . . . . . . A 26 THR HG22 . 19459 1 306 . 1 1 32 32 THR HG23 H 1 1.4741 . . . . . . A 26 THR HG23 . 19459 1 307 . 1 1 32 32 THR C C 13 176.7230 . . . . . . A 26 THR C . 19459 1 308 . 1 1 32 32 THR CA C 13 65.7108 . . . . . . A 26 THR CA . 19459 1 309 . 1 1 32 32 THR CB C 13 70.0840 . . . . . . A 26 THR CB . 19459 1 310 . 1 1 32 32 THR CG2 C 13 24.6202 . . . . . . A 26 THR CG2 . 19459 1 311 . 1 1 32 32 THR N N 15 117.1516 . . . . . . A 26 THR N . 19459 1 312 . 1 1 33 33 TYR H H 1 8.5421 . . . . . . A 27 TYR H . 19459 1 313 . 1 1 33 33 TYR HA H 1 5.7917 . . . . . . A 27 TYR HA . 19459 1 314 . 1 1 33 33 TYR HB2 H 1 2.7102 . . . . . . A 27 TYR HB2 . 19459 1 315 . 1 1 33 33 TYR HB3 H 1 3.0714 . . . . . . A 27 TYR HB3 . 19459 1 316 . 1 1 33 33 TYR HD1 H 1 7.2040 . . . . . . A 27 TYR HD1 . 19459 1 317 . 1 1 33 33 TYR HD2 H 1 7.2040 . . . . . . A 27 TYR HD2 . 19459 1 318 . 1 1 33 33 TYR HE1 H 1 6.8101 . . . . . . A 27 TYR HE1 . 19459 1 319 . 1 1 33 33 TYR HE2 H 1 6.8101 . . . . . . A 27 TYR HE2 . 19459 1 320 . 1 1 33 33 TYR C C 13 173.8354 . . . . . . A 27 TYR C . 19459 1 321 . 1 1 33 33 TYR CA C 13 55.8630 . . . . . . A 27 TYR CA . 19459 1 322 . 1 1 33 33 TYR CB C 13 40.8759 . . . . . . A 27 TYR CB . 19459 1 323 . 1 1 33 33 TYR CD1 C 13 133.1657 . . . . . . A 27 TYR CD1 . 19459 1 324 . 1 1 33 33 TYR CD2 C 13 133.1657 . . . . . . A 27 TYR CD2 . 19459 1 325 . 1 1 33 33 TYR CE1 C 13 118.1535 . . . . . . A 27 TYR CE1 . 19459 1 326 . 1 1 33 33 TYR CE2 C 13 118.1535 . . . . . . A 27 TYR CE2 . 19459 1 327 . 1 1 33 33 TYR N N 15 125.0936 . . . . . . A 27 TYR N . 19459 1 328 . 1 1 34 34 LEU H H 1 9.0000 . . . . . . A 28 LEU H . 19459 1 329 . 1 1 34 34 LEU HA H 1 4.7839 . . . . . . A 28 LEU HA . 19459 1 330 . 1 1 34 34 LEU HB2 H 1 1.1148 . . . . . . A 28 LEU HB2 . 19459 1 331 . 1 1 34 34 LEU HB3 H 1 1.3805 . . . . . . A 28 LEU HB3 . 19459 1 332 . 1 1 34 34 LEU HG H 1 1.2844 . . . . . . A 28 LEU HG . 19459 1 333 . 1 1 34 34 LEU HD11 H 1 0.7187 . . . . . . A 28 LEU HD11 . 19459 1 334 . 1 1 34 34 LEU HD12 H 1 0.7187 . . . . . . A 28 LEU HD12 . 19459 1 335 . 1 1 34 34 LEU HD13 H 1 0.7187 . . . . . . A 28 LEU HD13 . 19459 1 336 . 1 1 34 34 LEU HD21 H 1 -0.0848 . . . . . . A 28 LEU HD21 . 19459 1 337 . 1 1 34 34 LEU HD22 H 1 -0.0848 . . . . . . A 28 LEU HD22 . 19459 1 338 . 1 1 34 34 LEU HD23 H 1 -0.0848 . . . . . . A 28 LEU HD23 . 19459 1 339 . 1 1 34 34 LEU C C 13 172.8077 . . . . . . A 28 LEU C . 19459 1 340 . 1 1 34 34 LEU CA C 13 53.1830 . . . . . . A 28 LEU CA . 19459 1 341 . 1 1 34 34 LEU CB C 13 45.9383 . . . . . . A 28 LEU CB . 19459 1 342 . 1 1 34 34 LEU CG C 13 26.5507 . . . . . . A 28 LEU CG . 19459 1 343 . 1 1 34 34 LEU CD1 C 13 22.6631 . . . . . . A 28 LEU CD1 . 19459 1 344 . 1 1 34 34 LEU CD2 C 13 26.3450 . . . . . . A 28 LEU CD2 . 19459 1 345 . 1 1 34 34 LEU N N 15 120.7136 . . . . . . A 28 LEU N . 19459 1 346 . 1 1 35 35 ASN H H 1 8.5438 . . . . . . A 29 ASN H . 19459 1 347 . 1 1 35 35 ASN HA H 1 4.8996 . . . . . . A 29 ASN HA . 19459 1 348 . 1 1 35 35 ASN HB2 H 1 2.5973 . . . . . . A 29 ASN HB2 . 19459 1 349 . 1 1 35 35 ASN HB3 H 1 2.9004 . . . . . . A 29 ASN HB3 . 19459 1 350 . 1 1 35 35 ASN C C 13 174.7830 . . . . . . A 29 ASN C . 19459 1 351 . 1 1 35 35 ASN CA C 13 54.2316 . . . . . . A 29 ASN CA . 19459 1 352 . 1 1 35 35 ASN CB C 13 39.1914 . . . . . . A 29 ASN CB . 19459 1 353 . 1 1 35 35 ASN N N 15 121.6173 . . . . . . A 29 ASN N . 19459 1 354 . 1 1 36 36 TYR H H 1 9.3240 . . . . . . A 30 TYR H . 19459 1 355 . 1 1 36 36 TYR HA H 1 4.6860 . . . . . . A 30 TYR HA . 19459 1 356 . 1 1 36 36 TYR HD1 H 1 6.3973 . . . . . . A 30 TYR HD1 . 19459 1 357 . 1 1 36 36 TYR HD2 H 1 6.3973 . . . . . . A 30 TYR HD2 . 19459 1 358 . 1 1 36 36 TYR HE1 H 1 6.0826 . . . . . . A 30 TYR HE1 . 19459 1 359 . 1 1 36 36 TYR HE2 H 1 6.0826 . . . . . . A 30 TYR HE2 . 19459 1 360 . 1 1 36 36 TYR C C 13 174.9110 . . . . . . A 30 TYR C . 19459 1 361 . 1 1 36 36 TYR CA C 13 56.9008 . . . . . . A 30 TYR CA . 19459 1 362 . 1 1 36 36 TYR CB C 13 44.8420 . . . . . . A 30 TYR CB . 19459 1 363 . 1 1 36 36 TYR CD1 C 13 131.4188 . . . . . . A 30 TYR CD1 . 19459 1 364 . 1 1 36 36 TYR CD2 C 13 131.4188 . . . . . . A 30 TYR CD2 . 19459 1 365 . 1 1 36 36 TYR CE1 C 13 117.1692 . . . . . . A 30 TYR CE1 . 19459 1 366 . 1 1 36 36 TYR CE2 C 13 117.1692 . . . . . . A 30 TYR CE2 . 19459 1 367 . 1 1 36 36 TYR N N 15 126.7384 . . . . . . A 30 TYR N . 19459 1 368 . 1 1 37 37 GLU H H 1 8.5530 . . . . . . A 31 GLU H . 19459 1 369 . 1 1 37 37 GLU HA H 1 4.7096 . . . . . . A 31 GLU HA . 19459 1 370 . 1 1 37 37 GLU HB2 H 1 1.7589 . . . . . . A 31 GLU HB2 . 19459 1 371 . 1 1 37 37 GLU HB3 H 1 1.8934 . . . . . . A 31 GLU HB3 . 19459 1 372 . 1 1 37 37 GLU C C 13 173.6941 . . . . . . A 31 GLU C . 19459 1 373 . 1 1 37 37 GLU CA C 13 53.1190 . . . . . . A 31 GLU CA . 19459 1 374 . 1 1 37 37 GLU CB C 13 32.6260 . . . . . . A 31 GLU CB . 19459 1 375 . 1 1 37 37 GLU N N 15 114.1164 . . . . . . A 31 GLU N . 19459 1 376 . 1 1 38 38 CYS H H 1 9.7835 . . . . . . A 32 CYS H . 19459 1 377 . 1 1 38 38 CYS HA H 1 5.0514 . . . . . . A 32 CYS HA . 19459 1 378 . 1 1 38 38 CYS HB2 H 1 2.6933 . . . . . . A 32 CYS HB2 . 19459 1 379 . 1 1 38 38 CYS HB3 H 1 2.9915 . . . . . . A 32 CYS HB3 . 19459 1 380 . 1 1 38 38 CYS C C 13 173.5532 . . . . . . A 32 CYS C . 19459 1 381 . 1 1 38 38 CYS CA C 13 54.4797 . . . . . . A 32 CYS CA . 19459 1 382 . 1 1 38 38 CYS CB C 13 37.4872 . . . . . . A 32 CYS CB . 19459 1 383 . 1 1 38 38 CYS N N 15 121.0861 . . . . . . A 32 CYS N . 19459 1 384 . 1 1 39 39 ARG H H 1 7.8978 . . . . . . A 33 ARG H . 19459 1 385 . 1 1 39 39 ARG C C 13 176.8220 . . . . . . A 33 ARG C . 19459 1 386 . 1 1 39 39 ARG CA C 13 56.3108 . . . . . . A 33 ARG CA . 19459 1 387 . 1 1 39 39 ARG CB C 13 29.3435 . . . . . . A 33 ARG CB . 19459 1 388 . 1 1 39 39 ARG N N 15 123.4184 . . . . . . A 33 ARG N . 19459 1 389 . 1 1 40 40 PRO HA H 1 4.3802 . . . . . . A 34 PRO HA . 19459 1 390 . 1 1 40 40 PRO HB2 H 1 2.9886 . . . . . . A 34 PRO HB2 . 19459 1 391 . 1 1 40 40 PRO HB3 H 1 3.1278 . . . . . . A 34 PRO HB3 . 19459 1 392 . 1 1 40 40 PRO CA C 13 64.0555 . . . . . . A 34 PRO CA . 19459 1 393 . 1 1 40 40 PRO CB C 13 31.3353 . . . . . . A 34 PRO CB . 19459 1 394 . 1 1 41 41 GLY H H 1 8.3776 . . . . . . A 35 GLY H . 19459 1 395 . 1 1 41 41 GLY HA2 H 1 2.2101 . . . . . . A 35 GLY HA2 . 19459 1 396 . 1 1 41 41 GLY HA3 H 1 3.0739 . . . . . . A 35 GLY HA3 . 19459 1 397 . 1 1 41 41 GLY C C 13 177.5464 . . . . . . A 35 GLY C . 19459 1 398 . 1 1 41 41 GLY CA C 13 43.8988 . . . . . . A 35 GLY CA . 19459 1 399 . 1 1 41 41 GLY N N 15 111.0386 . . . . . . A 35 GLY N . 19459 1 400 . 1 1 42 42 TYR H H 1 8.1746 . . . . . . A 36 TYR H . 19459 1 401 . 1 1 42 42 TYR HA H 1 5.0209 . . . . . . A 36 TYR HA . 19459 1 402 . 1 1 42 42 TYR HB2 H 1 2.5491 . . . . . . A 36 TYR HB2 . 19459 1 403 . 1 1 42 42 TYR HB3 H 1 3.5063 . . . . . . A 36 TYR HB3 . 19459 1 404 . 1 1 42 42 TYR HD1 H 1 7.1994 . . . . . . A 36 TYR HD1 . 19459 1 405 . 1 1 42 42 TYR HD2 H 1 7.1994 . . . . . . A 36 TYR HD2 . 19459 1 406 . 1 1 42 42 TYR HE1 H 1 6.8259 . . . . . . A 36 TYR HE1 . 19459 1 407 . 1 1 42 42 TYR HE2 H 1 6.8259 . . . . . . A 36 TYR HE2 . 19459 1 408 . 1 1 42 42 TYR C C 13 174.0054 . . . . . . A 36 TYR C . 19459 1 409 . 1 1 42 42 TYR CA C 13 56.4950 . . . . . . A 36 TYR CA . 19459 1 410 . 1 1 42 42 TYR CB C 13 40.9807 . . . . . . A 36 TYR CB . 19459 1 411 . 1 1 42 42 TYR CD1 C 13 130.6681 . . . . . . A 36 TYR CD1 . 19459 1 412 . 1 1 42 42 TYR CD2 C 13 130.6681 . . . . . . A 36 TYR CD2 . 19459 1 413 . 1 1 42 42 TYR CE1 C 13 118.0311 . . . . . . A 36 TYR CE1 . 19459 1 414 . 1 1 42 42 TYR CE2 C 13 118.0311 . . . . . . A 36 TYR CE2 . 19459 1 415 . 1 1 42 42 TYR N N 15 116.6822 . . . . . . A 36 TYR N . 19459 1 416 . 1 1 43 43 SER H H 1 9.7107 . . . . . . A 37 SER H . 19459 1 417 . 1 1 43 43 SER HA H 1 4.8192 . . . . . . A 37 SER HA . 19459 1 418 . 1 1 43 43 SER HB2 H 1 3.7093 . . . . . . A 37 SER HB2 . 19459 1 419 . 1 1 43 43 SER C C 13 175.4418 . . . . . . A 37 SER C . 19459 1 420 . 1 1 43 43 SER CA C 13 56.5338 . . . . . . A 37 SER CA . 19459 1 421 . 1 1 43 43 SER CB C 13 65.6421 . . . . . . A 37 SER CB . 19459 1 422 . 1 1 43 43 SER N N 15 115.8545 . . . . . . A 37 SER N . 19459 1 423 . 1 1 44 44 GLY H H 1 8.2885 . . . . . . A 38 GLY H . 19459 1 424 . 1 1 44 44 GLY HA2 H 1 3.9091 . . . . . . A 38 GLY HA2 . 19459 1 425 . 1 1 44 44 GLY HA3 H 1 5.0994 . . . . . . A 38 GLY HA3 . 19459 1 426 . 1 1 44 44 GLY C C 13 175.8758 . . . . . . A 38 GLY C . 19459 1 427 . 1 1 44 44 GLY CA C 13 45.2679 . . . . . . A 38 GLY CA . 19459 1 428 . 1 1 44 44 GLY N N 15 113.4350 . . . . . . A 38 GLY N . 19459 1 429 . 1 1 45 45 ARG H H 1 8.3499 . . . . . . A 39 ARG H . 19459 1 430 . 1 1 45 45 ARG HA H 1 4.7390 . . . . . . A 39 ARG HA . 19459 1 431 . 1 1 45 45 ARG HB2 H 1 1.8466 . . . . . . A 39 ARG HB2 . 19459 1 432 . 1 1 45 45 ARG HB3 H 1 2.0251 . . . . . . A 39 ARG HB3 . 19459 1 433 . 1 1 45 45 ARG HD2 H 1 3.3091 . . . . . . A 39 ARG HD2 . 19459 1 434 . 1 1 45 45 ARG C C 13 175.4126 . . . . . . A 39 ARG C . 19459 1 435 . 1 1 45 45 ARG CA C 13 54.7404 . . . . . . A 39 ARG CA . 19459 1 436 . 1 1 45 45 ARG CB C 13 29.6341 . . . . . . A 39 ARG CB . 19459 1 437 . 1 1 45 45 ARG CD C 13 43.4588 . . . . . . A 39 ARG CD . 19459 1 438 . 1 1 45 45 ARG N N 15 124.1988 . . . . . . A 39 ARG N . 19459 1 439 . 1 1 46 46 PRO HA H 1 4.6582 . . . . . . A 40 PRO HA . 19459 1 440 . 1 1 46 46 PRO HB2 H 1 2.5352 . . . . . . A 40 PRO HB2 . 19459 1 441 . 1 1 46 46 PRO HG2 H 1 2.1132 . . . . . . A 40 PRO HG2 . 19459 1 442 . 1 1 46 46 PRO HD2 H 1 3.6176 . . . . . . A 40 PRO HD2 . 19459 1 443 . 1 1 46 46 PRO C C 13 173.7023 . . . . . . A 40 PRO C . 19459 1 444 . 1 1 46 46 PRO CA C 13 64.4699 . . . . . . A 40 PRO CA . 19459 1 445 . 1 1 46 46 PRO CB C 13 32.1880 . . . . . . A 40 PRO CB . 19459 1 446 . 1 1 46 46 PRO CG C 13 27.8155 . . . . . . A 40 PRO CG . 19459 1 447 . 1 1 46 46 PRO CD C 13 50.4187 . . . . . . A 40 PRO CD . 19459 1 448 . 1 1 47 47 PHE H H 1 8.0174 . . . . . . A 41 PHE H . 19459 1 449 . 1 1 47 47 PHE HA H 1 5.1630 . . . . . . A 41 PHE HA . 19459 1 450 . 1 1 47 47 PHE HB2 H 1 3.0173 . . . . . . A 41 PHE HB2 . 19459 1 451 . 1 1 47 47 PHE HD1 H 1 7.1904 . . . . . . A 41 PHE HD1 . 19459 1 452 . 1 1 47 47 PHE HD2 H 1 7.1904 . . . . . . A 41 PHE HD2 . 19459 1 453 . 1 1 47 47 PHE HE1 H 1 7.3507 . . . . . . A 41 PHE HE1 . 19459 1 454 . 1 1 47 47 PHE HE2 H 1 7.3507 . . . . . . A 41 PHE HE2 . 19459 1 455 . 1 1 47 47 PHE C C 13 176.8862 . . . . . . A 41 PHE C . 19459 1 456 . 1 1 47 47 PHE CA C 13 55.5664 . . . . . . A 41 PHE CA . 19459 1 457 . 1 1 47 47 PHE CB C 13 41.2642 . . . . . . A 41 PHE CB . 19459 1 458 . 1 1 47 47 PHE CD1 C 13 130.9855 . . . . . . A 41 PHE CD1 . 19459 1 459 . 1 1 47 47 PHE CD2 C 13 130.9855 . . . . . . A 41 PHE CD2 . 19459 1 460 . 1 1 47 47 PHE CE1 C 13 130.3747 . . . . . . A 41 PHE CE1 . 19459 1 461 . 1 1 47 47 PHE CE2 C 13 130.3747 . . . . . . A 41 PHE CE2 . 19459 1 462 . 1 1 47 47 PHE N N 15 118.3879 . . . . . . A 41 PHE N . 19459 1 463 . 1 1 48 48 SER H H 1 8.5405 . . . . . . A 42 SER H . 19459 1 464 . 1 1 48 48 SER HA H 1 5.7709 . . . . . . A 42 SER HA . 19459 1 465 . 1 1 48 48 SER HB2 H 1 3.6247 . . . . . . A 42 SER HB2 . 19459 1 466 . 1 1 48 48 SER HB3 H 1 3.9117 . . . . . . A 42 SER HB3 . 19459 1 467 . 1 1 48 48 SER C C 13 174.9776 . . . . . . A 42 SER C . 19459 1 468 . 1 1 48 48 SER CA C 13 56.6681 . . . . . . A 42 SER CA . 19459 1 469 . 1 1 48 48 SER CB C 13 66.1518 . . . . . . A 42 SER CB . 19459 1 470 . 1 1 48 48 SER N N 15 114.0563 . . . . . . A 42 SER N . 19459 1 471 . 1 1 49 49 ILE H H 1 8.6374 . . . . . . A 43 ILE H . 19459 1 472 . 1 1 49 49 ILE HA H 1 5.0650 . . . . . . A 43 ILE HA . 19459 1 473 . 1 1 49 49 ILE HB H 1 1.8626 . . . . . . A 43 ILE HB . 19459 1 474 . 1 1 49 49 ILE HG21 H 1 0.4851 . . . . . . A 43 ILE HG21 . 19459 1 475 . 1 1 49 49 ILE HG22 H 1 0.4851 . . . . . . A 43 ILE HG22 . 19459 1 476 . 1 1 49 49 ILE HG23 H 1 0.4851 . . . . . . A 43 ILE HG23 . 19459 1 477 . 1 1 49 49 ILE HD11 H 1 -0.1707 . . . . . . A 43 ILE HD11 . 19459 1 478 . 1 1 49 49 ILE HD12 H 1 -0.1707 . . . . . . A 43 ILE HD12 . 19459 1 479 . 1 1 49 49 ILE HD13 H 1 -0.1707 . . . . . . A 43 ILE HD13 . 19459 1 480 . 1 1 49 49 ILE C C 13 174.5350 . . . . . . A 43 ILE C . 19459 1 481 . 1 1 49 49 ILE CA C 13 60.0445 . . . . . . A 43 ILE CA . 19459 1 482 . 1 1 49 49 ILE CB C 13 40.3545 . . . . . . A 43 ILE CB . 19459 1 483 . 1 1 49 49 ILE CG2 C 13 17.7154 . . . . . . A 43 ILE CG2 . 19459 1 484 . 1 1 49 49 ILE CD1 C 13 13.4710 . . . . . . A 43 ILE CD1 . 19459 1 485 . 1 1 49 49 ILE N N 15 115.6691 . . . . . . A 43 ILE N . 19459 1 486 . 1 1 50 50 ILE H H 1 8.6866 . . . . . . A 44 ILE H . 19459 1 487 . 1 1 50 50 ILE HA H 1 5.2859 . . . . . . A 44 ILE HA . 19459 1 488 . 1 1 50 50 ILE HB H 1 1.3410 . . . . . . A 44 ILE HB . 19459 1 489 . 1 1 50 50 ILE HG12 H 1 1.0137 . . . . . . A 44 ILE HG12 . 19459 1 490 . 1 1 50 50 ILE HG13 H 1 0.2046 . . . . . . A 44 ILE HG13 . 19459 1 491 . 1 1 50 50 ILE HG21 H 1 0.5643 . . . . . . A 44 ILE HG21 . 19459 1 492 . 1 1 50 50 ILE HG22 H 1 0.5643 . . . . . . A 44 ILE HG22 . 19459 1 493 . 1 1 50 50 ILE HG23 H 1 0.5643 . . . . . . A 44 ILE HG23 . 19459 1 494 . 1 1 50 50 ILE HD11 H 1 0.5949 . . . . . . A 44 ILE HD11 . 19459 1 495 . 1 1 50 50 ILE HD12 H 1 0.5949 . . . . . . A 44 ILE HD12 . 19459 1 496 . 1 1 50 50 ILE HD13 H 1 0.5949 . . . . . . A 44 ILE HD13 . 19459 1 497 . 1 1 50 50 ILE C C 13 174.0334 . . . . . . A 44 ILE C . 19459 1 498 . 1 1 50 50 ILE CA C 13 59.6555 . . . . . . A 44 ILE CA . 19459 1 499 . 1 1 50 50 ILE CB C 13 42.3303 . . . . . . A 44 ILE CB . 19459 1 500 . 1 1 50 50 ILE CG1 C 13 27.3211 . . . . . . A 44 ILE CG1 . 19459 1 501 . 1 1 50 50 ILE CG2 C 13 16.9106 . . . . . . A 44 ILE CG2 . 19459 1 502 . 1 1 50 50 ILE CD1 C 13 14.3785 . . . . . . A 44 ILE CD1 . 19459 1 503 . 1 1 50 50 ILE N N 15 120.2150 . . . . . . A 44 ILE N . 19459 1 504 . 1 1 51 51 CYS H H 1 7.9931 . . . . . . A 45 CYS H . 19459 1 505 . 1 1 51 51 CYS HA H 1 3.7516 . . . . . . A 45 CYS HA . 19459 1 506 . 1 1 51 51 CYS HB2 H 1 1.1755 . . . . . . A 45 CYS HB2 . 19459 1 507 . 1 1 51 51 CYS HB3 H 1 2.2444 . . . . . . A 45 CYS HB3 . 19459 1 508 . 1 1 51 51 CYS C C 13 174.9459 . . . . . . A 45 CYS C . 19459 1 509 . 1 1 51 51 CYS CA C 13 55.0658 . . . . . . A 45 CYS CA . 19459 1 510 . 1 1 51 51 CYS CB C 13 38.6115 . . . . . . A 45 CYS CB . 19459 1 511 . 1 1 51 51 CYS N N 15 126.2568 . . . . . . A 45 CYS N . 19459 1 512 . 1 1 52 52 LEU H H 1 8.8262 . . . . . . A 46 LEU H . 19459 1 513 . 1 1 52 52 LEU HA H 1 4.4164 . . . . . . A 46 LEU HA . 19459 1 514 . 1 1 52 52 LEU HB2 H 1 1.4874 . . . . . . A 46 LEU HB2 . 19459 1 515 . 1 1 52 52 LEU HG H 1 1.6684 . . . . . . A 46 LEU HG . 19459 1 516 . 1 1 52 52 LEU HD11 H 1 0.8039 . . . . . . A 46 LEU HD11 . 19459 1 517 . 1 1 52 52 LEU HD12 H 1 0.8039 . . . . . . A 46 LEU HD12 . 19459 1 518 . 1 1 52 52 LEU HD13 H 1 0.8039 . . . . . . A 46 LEU HD13 . 19459 1 519 . 1 1 52 52 LEU HD21 H 1 0.7296 . . . . . . A 46 LEU HD21 . 19459 1 520 . 1 1 52 52 LEU HD22 H 1 0.7296 . . . . . . A 46 LEU HD22 . 19459 1 521 . 1 1 52 52 LEU HD23 H 1 0.7296 . . . . . . A 46 LEU HD23 . 19459 1 522 . 1 1 52 52 LEU C C 13 172.1951 . . . . . . A 46 LEU C . 19459 1 523 . 1 1 52 52 LEU CA C 13 54.3438 . . . . . . A 46 LEU CA . 19459 1 524 . 1 1 52 52 LEU CB C 13 44.2044 . . . . . . A 46 LEU CB . 19459 1 525 . 1 1 52 52 LEU CG C 13 26.3420 . . . . . . A 46 LEU CG . 19459 1 526 . 1 1 52 52 LEU CD1 C 13 25.2930 . . . . . . A 46 LEU CD1 . 19459 1 527 . 1 1 52 52 LEU CD2 C 13 22.2973 . . . . . . A 46 LEU CD2 . 19459 1 528 . 1 1 52 52 LEU N N 15 132.5139 . . . . . . A 46 LEU N . 19459 1 529 . 1 1 53 53 LYS H H 1 7.9491 . . . . . . A 47 LYS H . 19459 1 530 . 1 1 53 53 LYS HA H 1 3.9884 . . . . . . A 47 LYS HA . 19459 1 531 . 1 1 53 53 LYS HB2 H 1 1.4659 . . . . . . A 47 LYS HB2 . 19459 1 532 . 1 1 53 53 LYS HB3 H 1 1.5439 . . . . . . A 47 LYS HB3 . 19459 1 533 . 1 1 53 53 LYS HG2 H 1 1.3526 . . . . . . A 47 LYS HG2 . 19459 1 534 . 1 1 53 53 LYS HG3 H 1 1.3783 . . . . . . A 47 LYS HG3 . 19459 1 535 . 1 1 53 53 LYS HD2 H 1 1.4546 . . . . . . A 47 LYS HD2 . 19459 1 536 . 1 1 53 53 LYS HE2 H 1 2.6379 . . . . . . A 47 LYS HE2 . 19459 1 537 . 1 1 53 53 LYS HE3 H 1 2.7480 . . . . . . A 47 LYS HE3 . 19459 1 538 . 1 1 53 53 LYS C C 13 173.7808 . . . . . . A 47 LYS C . 19459 1 539 . 1 1 53 53 LYS CA C 13 57.9828 . . . . . . A 47 LYS CA . 19459 1 540 . 1 1 53 53 LYS CB C 13 31.2077 . . . . . . A 47 LYS CB . 19459 1 541 . 1 1 53 53 LYS CG C 13 26.9431 . . . . . . A 47 LYS CG . 19459 1 542 . 1 1 53 53 LYS CD C 13 26.9734 . . . . . . A 47 LYS CD . 19459 1 543 . 1 1 53 53 LYS CE C 13 43.2872 . . . . . . A 47 LYS CE . 19459 1 544 . 1 1 53 53 LYS N N 15 115.2544 . . . . . . A 47 LYS N . 19459 1 545 . 1 1 54 54 ASN H H 1 8.4318 . . . . . . A 48 ASN H . 19459 1 546 . 1 1 54 54 ASN HA H 1 4.5359 . . . . . . A 48 ASN HA . 19459 1 547 . 1 1 54 54 ASN HB2 H 1 2.7830 . . . . . . A 48 ASN HB2 . 19459 1 548 . 1 1 54 54 ASN HB3 H 1 3.0296 . . . . . . A 48 ASN HB3 . 19459 1 549 . 1 1 54 54 ASN CA C 13 53.5397 . . . . . . A 48 ASN CA . 19459 1 550 . 1 1 54 54 ASN CB C 13 36.3724 . . . . . . A 48 ASN CB . 19459 1 551 . 1 1 54 54 ASN N N 15 115.2826 . . . . . . A 48 ASN N . 19459 1 552 . 1 1 55 55 SER H H 1 8.4575 . . . . . . A 49 SER H . 19459 1 553 . 1 1 55 55 SER HA H 1 3.9691 . . . . . . A 49 SER HA . 19459 1 554 . 1 1 55 55 SER HB2 H 1 4.0704 . . . . . . A 49 SER HB2 . 19459 1 555 . 1 1 55 55 SER HB3 H 1 4.1229 . . . . . . A 49 SER HB3 . 19459 1 556 . 1 1 55 55 SER CA C 13 59.7904 . . . . . . A 49 SER CA . 19459 1 557 . 1 1 55 55 SER CB C 13 60.8695 . . . . . . A 49 SER CB . 19459 1 558 . 1 1 55 55 SER N N 15 110.5947 . . . . . . A 49 SER N . 19459 1 559 . 1 1 56 56 VAL H H 1 6.8403 . . . . . . A 50 VAL H . 19459 1 560 . 1 1 56 56 VAL HA H 1 4.3328 . . . . . . A 50 VAL HA . 19459 1 561 . 1 1 56 56 VAL HB H 1 1.9666 . . . . . . A 50 VAL HB . 19459 1 562 . 1 1 56 56 VAL HG11 H 1 0.8770 . . . . . . A 50 VAL HG11 . 19459 1 563 . 1 1 56 56 VAL HG12 H 1 0.8770 . . . . . . A 50 VAL HG12 . 19459 1 564 . 1 1 56 56 VAL HG13 H 1 0.8770 . . . . . . A 50 VAL HG13 . 19459 1 565 . 1 1 56 56 VAL HG21 H 1 0.7927 . . . . . . A 50 VAL HG21 . 19459 1 566 . 1 1 56 56 VAL HG22 H 1 0.7927 . . . . . . A 50 VAL HG22 . 19459 1 567 . 1 1 56 56 VAL HG23 H 1 0.7927 . . . . . . A 50 VAL HG23 . 19459 1 568 . 1 1 56 56 VAL C C 13 175.3466 . . . . . . A 50 VAL C . 19459 1 569 . 1 1 56 56 VAL CA C 13 59.8837 . . . . . . A 50 VAL CA . 19459 1 570 . 1 1 56 56 VAL CB C 13 34.8367 . . . . . . A 50 VAL CB . 19459 1 571 . 1 1 56 56 VAL CG1 C 13 19.9130 . . . . . . A 50 VAL CG1 . 19459 1 572 . 1 1 56 56 VAL CG2 C 13 20.3860 . . . . . . A 50 VAL CG2 . 19459 1 573 . 1 1 56 56 VAL N N 15 117.6800 . . . . . . A 50 VAL N . 19459 1 574 . 1 1 57 57 TRP H H 1 8.3103 . . . . . . A 51 TRP H . 19459 1 575 . 1 1 57 57 TRP HA H 1 5.3224 . . . . . . A 51 TRP HA . 19459 1 576 . 1 1 57 57 TRP HB2 H 1 2.9731 . . . . . . A 51 TRP HB2 . 19459 1 577 . 1 1 57 57 TRP HB3 H 1 3.0552 . . . . . . A 51 TRP HB3 . 19459 1 578 . 1 1 57 57 TRP HD1 H 1 7.3312 . . . . . . A 51 TRP HD1 . 19459 1 579 . 1 1 57 57 TRP HE1 H 1 10.2378 . . . . . . A 51 TRP HE1 . 19459 1 580 . 1 1 57 57 TRP HE3 H 1 7.0416 . . . . . . A 51 TRP HE3 . 19459 1 581 . 1 1 57 57 TRP HZ2 H 1 6.9144 . . . . . . A 51 TRP HZ2 . 19459 1 582 . 1 1 57 57 TRP HZ3 H 1 6.7581 . . . . . . A 51 TRP HZ3 . 19459 1 583 . 1 1 57 57 TRP HH2 H 1 6.2353 . . . . . . A 51 TRP HH2 . 19459 1 584 . 1 1 57 57 TRP C C 13 170.7363 . . . . . . A 51 TRP C . 19459 1 585 . 1 1 57 57 TRP CA C 13 55.9374 . . . . . . A 51 TRP CA . 19459 1 586 . 1 1 57 57 TRP CB C 13 30.7911 . . . . . . A 51 TRP CB . 19459 1 587 . 1 1 57 57 TRP CD1 C 13 126.9455 . . . . . . A 51 TRP CD1 . 19459 1 588 . 1 1 57 57 TRP CE3 C 13 120.9222 . . . . . . A 51 TRP CE3 . 19459 1 589 . 1 1 57 57 TRP CZ2 C 13 113.1909 . . . . . . A 51 TRP CZ2 . 19459 1 590 . 1 1 57 57 TRP CZ3 C 13 121.8935 . . . . . . A 51 TRP CZ3 . 19459 1 591 . 1 1 57 57 TRP CH2 C 13 122.9303 . . . . . . A 51 TRP CH2 . 19459 1 592 . 1 1 57 57 TRP N N 15 123.5102 . . . . . . A 51 TRP N . 19459 1 593 . 1 1 57 57 TRP NE1 N 15 128.7202 . . . . . . A 51 TRP NE1 . 19459 1 594 . 1 1 58 58 THR H H 1 9.0257 . . . . . . A 52 THR H . 19459 1 595 . 1 1 58 58 THR HA H 1 4.6560 . . . . . . A 52 THR HA . 19459 1 596 . 1 1 58 58 THR HB H 1 4.1594 . . . . . . A 52 THR HB . 19459 1 597 . 1 1 58 58 THR HG21 H 1 1.3172 . . . . . . A 52 THR HG21 . 19459 1 598 . 1 1 58 58 THR HG22 H 1 1.3172 . . . . . . A 52 THR HG22 . 19459 1 599 . 1 1 58 58 THR HG23 H 1 1.3172 . . . . . . A 52 THR HG23 . 19459 1 600 . 1 1 58 58 THR C C 13 175.7803 . . . . . . A 52 THR C . 19459 1 601 . 1 1 58 58 THR CA C 13 61.3758 . . . . . . A 52 THR CA . 19459 1 602 . 1 1 58 58 THR CB C 13 70.7229 . . . . . . A 52 THR CB . 19459 1 603 . 1 1 58 58 THR CG2 C 13 21.8382 . . . . . . A 52 THR CG2 . 19459 1 604 . 1 1 58 58 THR N N 15 115.9619 . . . . . . A 52 THR N . 19459 1 605 . 1 1 59 59 GLY H H 1 8.2924 . . . . . . A 53 GLY H . 19459 1 606 . 1 1 59 59 GLY HA2 H 1 3.9280 . . . . . . A 53 GLY HA2 . 19459 1 607 . 1 1 59 59 GLY HA3 H 1 4.5262 . . . . . . A 53 GLY HA3 . 19459 1 608 . 1 1 59 59 GLY C C 13 174.8807 . . . . . . A 53 GLY C . 19459 1 609 . 1 1 59 59 GLY CA C 13 45.3441 . . . . . . A 53 GLY CA . 19459 1 610 . 1 1 59 59 GLY N N 15 108.5211 . . . . . . A 53 GLY N . 19459 1 611 . 1 1 60 60 ALA H H 1 8.4431 . . . . . . A 54 ALA H . 19459 1 612 . 1 1 60 60 ALA HA H 1 4.1534 . . . . . . A 54 ALA HA . 19459 1 613 . 1 1 60 60 ALA HB1 H 1 1.2122 . . . . . . A 54 ALA HB1 . 19459 1 614 . 1 1 60 60 ALA HB2 H 1 1.2122 . . . . . . A 54 ALA HB2 . 19459 1 615 . 1 1 60 60 ALA HB3 H 1 1.2122 . . . . . . A 54 ALA HB3 . 19459 1 616 . 1 1 60 60 ALA C C 13 172.7857 . . . . . . A 54 ALA C . 19459 1 617 . 1 1 60 60 ALA CA C 13 51.6968 . . . . . . A 54 ALA CA . 19459 1 618 . 1 1 60 60 ALA CB C 13 19.7136 . . . . . . A 54 ALA CB . 19459 1 619 . 1 1 60 60 ALA N N 15 121.8568 . . . . . . A 54 ALA N . 19459 1 620 . 1 1 61 61 LYS H H 1 7.6120 . . . . . . A 55 LYS H . 19459 1 621 . 1 1 61 61 LYS HA H 1 3.7440 . . . . . . A 55 LYS HA . 19459 1 622 . 1 1 61 61 LYS HB2 H 1 1.6137 . . . . . . A 55 LYS HB2 . 19459 1 623 . 1 1 61 61 LYS HB3 H 1 1.6654 . . . . . . A 55 LYS HB3 . 19459 1 624 . 1 1 61 61 LYS HG2 H 1 1.2514 . . . . . . A 55 LYS HG2 . 19459 1 625 . 1 1 61 61 LYS HG3 H 1 1.3423 . . . . . . A 55 LYS HG3 . 19459 1 626 . 1 1 61 61 LYS HD2 H 1 1.5916 . . . . . . A 55 LYS HD2 . 19459 1 627 . 1 1 61 61 LYS HE2 H 1 2.9665 . . . . . . A 55 LYS HE2 . 19459 1 628 . 1 1 61 61 LYS C C 13 172.5188 . . . . . . A 55 LYS C . 19459 1 629 . 1 1 61 61 LYS CA C 13 57.9445 . . . . . . A 55 LYS CA . 19459 1 630 . 1 1 61 61 LYS CB C 13 32.6318 . . . . . . A 55 LYS CB . 19459 1 631 . 1 1 61 61 LYS CG C 13 24.9712 . . . . . . A 55 LYS CG . 19459 1 632 . 1 1 61 61 LYS CD C 13 29.4076 . . . . . . A 55 LYS CD . 19459 1 633 . 1 1 61 61 LYS CE C 13 41.8946 . . . . . . A 55 LYS CE . 19459 1 634 . 1 1 61 61 LYS N N 15 118.3178 . . . . . . A 55 LYS N . 19459 1 635 . 1 1 62 62 ASP H H 1 8.5549 . . . . . . A 56 ASP H . 19459 1 636 . 1 1 62 62 ASP HA H 1 4.1166 . . . . . . A 56 ASP HA . 19459 1 637 . 1 1 62 62 ASP HB2 H 1 2.5283 . . . . . . A 56 ASP HB2 . 19459 1 638 . 1 1 62 62 ASP HB3 H 1 2.7483 . . . . . . A 56 ASP HB3 . 19459 1 639 . 1 1 62 62 ASP C C 13 173.6997 . . . . . . A 56 ASP C . 19459 1 640 . 1 1 62 62 ASP CA C 13 55.3839 . . . . . . A 56 ASP CA . 19459 1 641 . 1 1 62 62 ASP CB C 13 39.1701 . . . . . . A 56 ASP CB . 19459 1 642 . 1 1 62 62 ASP N N 15 119.2136 . . . . . . A 56 ASP N . 19459 1 643 . 1 1 63 63 ARG H H 1 7.3518 . . . . . . A 57 ARG H . 19459 1 644 . 1 1 63 63 ARG HA H 1 3.8803 . . . . . . A 57 ARG HA . 19459 1 645 . 1 1 63 63 ARG HB2 H 1 0.9467 . . . . . . A 57 ARG HB2 . 19459 1 646 . 1 1 63 63 ARG HB3 H 1 1.1415 . . . . . . A 57 ARG HB3 . 19459 1 647 . 1 1 63 63 ARG HG2 H 1 0.0475 . . . . . . A 57 ARG HG2 . 19459 1 648 . 1 1 63 63 ARG HG3 H 1 0.8292 . . . . . . A 57 ARG HG3 . 19459 1 649 . 1 1 63 63 ARG HD2 H 1 2.4957 . . . . . . A 57 ARG HD2 . 19459 1 650 . 1 1 63 63 ARG HD3 H 1 2.7334 . . . . . . A 57 ARG HD3 . 19459 1 651 . 1 1 63 63 ARG C C 13 171.6383 . . . . . . A 57 ARG C . 19459 1 652 . 1 1 63 63 ARG CA C 13 55.9271 . . . . . . A 57 ARG CA . 19459 1 653 . 1 1 63 63 ARG CB C 13 32.1572 . . . . . . A 57 ARG CB . 19459 1 654 . 1 1 63 63 ARG CG C 13 25.4990 . . . . . . A 57 ARG CG . 19459 1 655 . 1 1 63 63 ARG CD C 13 42.6495 . . . . . . A 57 ARG CD . 19459 1 656 . 1 1 63 63 ARG N N 15 116.0064 . . . . . . A 57 ARG N . 19459 1 657 . 1 1 64 64 CYS H H 1 7.5867 . . . . . . A 58 CYS H . 19459 1 658 . 1 1 64 64 CYS HA H 1 5.5742 . . . . . . A 58 CYS HA . 19459 1 659 . 1 1 64 64 CYS HB2 H 1 2.4226 . . . . . . A 58 CYS HB2 . 19459 1 660 . 1 1 64 64 CYS HB3 H 1 2.9435 . . . . . . A 58 CYS HB3 . 19459 1 661 . 1 1 64 64 CYS C C 13 175.5755 . . . . . . A 58 CYS C . 19459 1 662 . 1 1 64 64 CYS CA C 13 52.8516 . . . . . . A 58 CYS CA . 19459 1 663 . 1 1 64 64 CYS CB C 13 43.5759 . . . . . . A 58 CYS CB . 19459 1 664 . 1 1 64 64 CYS N N 15 115.0001 . . . . . . A 58 CYS N . 19459 1 665 . 1 1 65 65 ARG H H 1 8.9837 . . . . . . A 59 ARG H . 19459 1 666 . 1 1 65 65 ARG HA H 1 4.7601 . . . . . . A 59 ARG HA . 19459 1 667 . 1 1 65 65 ARG HB2 H 1 1.6895 . . . . . . A 59 ARG HB2 . 19459 1 668 . 1 1 65 65 ARG HB3 H 1 1.8016 . . . . . . A 59 ARG HB3 . 19459 1 669 . 1 1 65 65 ARG HG2 H 1 1.5548 . . . . . . A 59 ARG HG2 . 19459 1 670 . 1 1 65 65 ARG HD2 H 1 3.1199 . . . . . . A 59 ARG HD2 . 19459 1 671 . 1 1 65 65 ARG HD3 H 1 3.2853 . . . . . . A 59 ARG HD3 . 19459 1 672 . 1 1 65 65 ARG C C 13 173.5660 . . . . . . A 59 ARG C . 19459 1 673 . 1 1 65 65 ARG CA C 13 54.2386 . . . . . . A 59 ARG CA . 19459 1 674 . 1 1 65 65 ARG CB C 13 32.8020 . . . . . . A 59 ARG CB . 19459 1 675 . 1 1 65 65 ARG CG C 13 26.9711 . . . . . . A 59 ARG CG . 19459 1 676 . 1 1 65 65 ARG CD C 13 43.3601 . . . . . . A 59 ARG CD . 19459 1 677 . 1 1 65 65 ARG N N 15 123.4398 . . . . . . A 59 ARG N . 19459 1 678 . 1 1 66 66 ARG H H 1 9.1626 . . . . . . A 60 ARG H . 19459 1 679 . 1 1 66 66 ARG HA H 1 3.6514 . . . . . . A 60 ARG HA . 19459 1 680 . 1 1 66 66 ARG HB2 H 1 1.6952 . . . . . . A 60 ARG HB2 . 19459 1 681 . 1 1 66 66 ARG HB3 H 1 1.7360 . . . . . . A 60 ARG HB3 . 19459 1 682 . 1 1 66 66 ARG HG2 H 1 1.3545 . . . . . . A 60 ARG HG2 . 19459 1 683 . 1 1 66 66 ARG HD2 H 1 3.1243 . . . . . . A 60 ARG HD2 . 19459 1 684 . 1 1 66 66 ARG HD3 H 1 3.2779 . . . . . . A 60 ARG HD3 . 19459 1 685 . 1 1 66 66 ARG C C 13 172.1190 . . . . . . A 60 ARG C . 19459 1 686 . 1 1 66 66 ARG CA C 13 58.2976 . . . . . . A 60 ARG CA . 19459 1 687 . 1 1 66 66 ARG CB C 13 31.2683 . . . . . . A 60 ARG CB . 19459 1 688 . 1 1 66 66 ARG CG C 13 29.7462 . . . . . . A 60 ARG CG . 19459 1 689 . 1 1 66 66 ARG CD C 13 43.3848 . . . . . . A 60 ARG CD . 19459 1 690 . 1 1 66 66 ARG N N 15 125.6440 . . . . . . A 60 ARG N . 19459 1 691 . 1 1 67 67 LYS H H 1 8.6011 . . . . . . A 61 LYS H . 19459 1 692 . 1 1 67 67 LYS HA H 1 4.1166 . . . . . . A 61 LYS HA . 19459 1 693 . 1 1 67 67 LYS HB2 H 1 1.7303 . . . . . . A 61 LYS HB2 . 19459 1 694 . 1 1 67 67 LYS HB3 H 1 1.2508 . . . . . . A 61 LYS HB3 . 19459 1 695 . 1 1 67 67 LYS HG2 H 1 1.0790 . . . . . . A 61 LYS HG2 . 19459 1 696 . 1 1 67 67 LYS HD2 H 1 1.0807 . . . . . . A 61 LYS HD2 . 19459 1 697 . 1 1 67 67 LYS HE2 H 1 2.6681 . . . . . . A 61 LYS HE2 . 19459 1 698 . 1 1 67 67 LYS HE3 H 1 2.8236 . . . . . . A 61 LYS HE3 . 19459 1 699 . 1 1 67 67 LYS C C 13 173.7911 . . . . . . A 61 LYS C . 19459 1 700 . 1 1 67 67 LYS CA C 13 57.1984 . . . . . . A 61 LYS CA . 19459 1 701 . 1 1 67 67 LYS CB C 13 35.2140 . . . . . . A 61 LYS CB . 19459 1 702 . 1 1 67 67 LYS CG C 13 27.3603 . . . . . . A 61 LYS CG . 19459 1 703 . 1 1 67 67 LYS CD C 13 30.0860 . . . . . . A 61 LYS CD . 19459 1 704 . 1 1 67 67 LYS CE C 13 42.0092 . . . . . . A 61 LYS CE . 19459 1 705 . 1 1 67 67 LYS N N 15 124.2169 . . . . . . A 61 LYS N . 19459 1 706 . 1 1 68 68 SER H H 1 8.4942 . . . . . . A 62 SER H . 19459 1 707 . 1 1 68 68 SER HA H 1 4.7648 . . . . . . A 62 SER HA . 19459 1 708 . 1 1 68 68 SER HB2 H 1 3.5409 . . . . . . A 62 SER HB2 . 19459 1 709 . 1 1 68 68 SER HB3 H 1 3.7326 . . . . . . A 62 SER HB3 . 19459 1 710 . 1 1 68 68 SER C C 13 175.0186 . . . . . . A 62 SER C . 19459 1 711 . 1 1 68 68 SER CA C 13 58.2274 . . . . . . A 62 SER CA . 19459 1 712 . 1 1 68 68 SER CB C 13 65.3868 . . . . . . A 62 SER CB . 19459 1 713 . 1 1 68 68 SER N N 15 114.1201 . . . . . . A 62 SER N . 19459 1 714 . 1 1 69 69 CYS H H 1 8.3594 . . . . . . A 63 CYS H . 19459 1 715 . 1 1 69 69 CYS HA H 1 4.0684 . . . . . . A 63 CYS HA . 19459 1 716 . 1 1 69 69 CYS HB2 H 1 2.1448 . . . . . . A 63 CYS HB2 . 19459 1 717 . 1 1 69 69 CYS HB3 H 1 2.2136 . . . . . . A 63 CYS HB3 . 19459 1 718 . 1 1 69 69 CYS C C 13 176.0762 . . . . . . A 63 CYS C . 19459 1 719 . 1 1 69 69 CYS CA C 13 61.2671 . . . . . . A 63 CYS CA . 19459 1 720 . 1 1 69 69 CYS CB C 13 40.7677 . . . . . . A 63 CYS CB . 19459 1 721 . 1 1 69 69 CYS N N 15 122.8576 . . . . . . A 63 CYS N . 19459 1 722 . 1 1 70 70 ARG H H 1 8.4958 . . . . . . A 64 ARG H . 19459 1 723 . 1 1 70 70 ARG HA H 1 4.1660 . . . . . . A 64 ARG HA . 19459 1 724 . 1 1 70 70 ARG HB2 H 1 1.8175 . . . . . . A 64 ARG HB2 . 19459 1 725 . 1 1 70 70 ARG HB3 H 1 1.9055 . . . . . . A 64 ARG HB3 . 19459 1 726 . 1 1 70 70 ARG HG2 H 1 1.6886 . . . . . . A 64 ARG HG2 . 19459 1 727 . 1 1 70 70 ARG HD2 H 1 3.2926 . . . . . . A 64 ARG HD2 . 19459 1 728 . 1 1 70 70 ARG C C 13 173.0767 . . . . . . A 64 ARG C . 19459 1 729 . 1 1 70 70 ARG CA C 13 55.9803 . . . . . . A 64 ARG CA . 19459 1 730 . 1 1 70 70 ARG CB C 13 30.4594 . . . . . . A 64 ARG CB . 19459 1 731 . 1 1 70 70 ARG CG C 13 27.1273 . . . . . . A 64 ARG CG . 19459 1 732 . 1 1 70 70 ARG CD C 13 43.7124 . . . . . . A 64 ARG CD . 19459 1 733 . 1 1 70 70 ARG N N 15 118.1454 . . . . . . A 64 ARG N . 19459 1 734 . 1 1 71 71 ASN H H 1 8.6915 . . . . . . A 65 ASN H . 19459 1 735 . 1 1 71 71 ASN HA H 1 4.7336 . . . . . . A 65 ASN HA . 19459 1 736 . 1 1 71 71 ASN HB2 H 1 2.6918 . . . . . . A 65 ASN HB2 . 19459 1 737 . 1 1 71 71 ASN HB3 H 1 2.7198 . . . . . . A 65 ASN HB3 . 19459 1 738 . 1 1 71 71 ASN HD21 H 1 7.5864 . . . . . . A 65 ASN HD21 . 19459 1 739 . 1 1 71 71 ASN HD22 H 1 6.8882 . . . . . . A 65 ASN HD22 . 19459 1 740 . 1 1 71 71 ASN C C 13 175.1167 . . . . . . A 65 ASN C . 19459 1 741 . 1 1 71 71 ASN CA C 13 52.1119 . . . . . . A 65 ASN CA . 19459 1 742 . 1 1 71 71 ASN CB C 13 38.3672 . . . . . . A 65 ASN CB . 19459 1 743 . 1 1 71 71 ASN N N 15 122.3025 . . . . . . A 65 ASN N . 19459 1 744 . 1 1 71 71 ASN ND2 N 15 113.3127 . . . . . . A 65 ASN ND2 . 19459 1 745 . 1 1 73 73 PRO HA H 1 4.4834 . . . . . . A 67 PRO HA . 19459 1 746 . 1 1 73 73 PRO HB2 H 1 1.7735 . . . . . . A 67 PRO HB2 . 19459 1 747 . 1 1 73 73 PRO HB3 H 1 2.1893 . . . . . . A 67 PRO HB3 . 19459 1 748 . 1 1 73 73 PRO HG2 H 1 1.8715 . . . . . . A 67 PRO HG2 . 19459 1 749 . 1 1 73 73 PRO HG3 H 1 1.9560 . . . . . . A 67 PRO HG3 . 19459 1 750 . 1 1 73 73 PRO HD2 H 1 3.6749 . . . . . . A 67 PRO HD2 . 19459 1 751 . 1 1 73 73 PRO HD3 H 1 3.8157 . . . . . . A 67 PRO HD3 . 19459 1 752 . 1 1 73 73 PRO C C 13 172.2280 . . . . . . A 67 PRO C . 19459 1 753 . 1 1 73 73 PRO CA C 13 61.6662 . . . . . . A 67 PRO CA . 19459 1 754 . 1 1 73 73 PRO CB C 13 32.4872 . . . . . . A 67 PRO CB . 19459 1 755 . 1 1 73 73 PRO CG C 13 27.2241 . . . . . . A 67 PRO CG . 19459 1 756 . 1 1 73 73 PRO CD C 13 50.5927 . . . . . . A 67 PRO CD . 19459 1 757 . 1 1 74 74 ASP H H 1 8.2007 . . . . . . A 68 ASP H . 19459 1 758 . 1 1 74 74 ASP HA H 1 4.6422 . . . . . . A 68 ASP HA . 19459 1 759 . 1 1 74 74 ASP HB2 H 1 2.2544 . . . . . . A 68 ASP HB2 . 19459 1 760 . 1 1 74 74 ASP HB3 H 1 2.7641 . . . . . . A 68 ASP HB3 . 19459 1 761 . 1 1 74 74 ASP C C 13 173.9512 . . . . . . A 68 ASP C . 19459 1 762 . 1 1 74 74 ASP CA C 13 53.1793 . . . . . . A 68 ASP CA . 19459 1 763 . 1 1 74 74 ASP CB C 13 40.4995 . . . . . . A 68 ASP CB . 19459 1 764 . 1 1 74 74 ASP N N 15 118.1843 . . . . . . A 68 ASP N . 19459 1 765 . 1 1 75 75 PRO HA H 1 4.2359 . . . . . . A 69 PRO HA . 19459 1 766 . 1 1 75 75 PRO HB2 H 1 1.2710 . . . . . . A 69 PRO HB2 . 19459 1 767 . 1 1 75 75 PRO HB3 H 1 2.1204 . . . . . . A 69 PRO HB3 . 19459 1 768 . 1 1 75 75 PRO HG2 H 1 1.7010 . . . . . . A 69 PRO HG2 . 19459 1 769 . 1 1 75 75 PRO HD2 H 1 3.3047 . . . . . . A 69 PRO HD2 . 19459 1 770 . 1 1 75 75 PRO C C 13 172.3495 . . . . . . A 69 PRO C . 19459 1 771 . 1 1 75 75 PRO CA C 13 61.9112 . . . . . . A 69 PRO CA . 19459 1 772 . 1 1 75 75 PRO CB C 13 31.2346 . . . . . . A 69 PRO CB . 19459 1 773 . 1 1 75 75 PRO CG C 13 27.6435 . . . . . . A 69 PRO CG . 19459 1 774 . 1 1 75 75 PRO CD C 13 50.3165 . . . . . . A 69 PRO CD . 19459 1 775 . 1 1 76 76 VAL H H 1 8.2509 . . . . . . A 70 VAL H . 19459 1 776 . 1 1 76 76 VAL HA H 1 3.6592 . . . . . . A 70 VAL HA . 19459 1 777 . 1 1 76 76 VAL HB H 1 1.8713 . . . . . . A 70 VAL HB . 19459 1 778 . 1 1 76 76 VAL HG11 H 1 1.0048 . . . . . . A 70 VAL HG11 . 19459 1 779 . 1 1 76 76 VAL HG12 H 1 1.0048 . . . . . . A 70 VAL HG12 . 19459 1 780 . 1 1 76 76 VAL HG13 H 1 1.0048 . . . . . . A 70 VAL HG13 . 19459 1 781 . 1 1 76 76 VAL HG21 H 1 0.9191 . . . . . . A 70 VAL HG21 . 19459 1 782 . 1 1 76 76 VAL HG22 H 1 0.9191 . . . . . . A 70 VAL HG22 . 19459 1 783 . 1 1 76 76 VAL HG23 H 1 0.9191 . . . . . . A 70 VAL HG23 . 19459 1 784 . 1 1 76 76 VAL C C 13 171.2310 . . . . . . A 70 VAL C . 19459 1 785 . 1 1 76 76 VAL CA C 13 64.6643 . . . . . . A 70 VAL CA . 19459 1 786 . 1 1 76 76 VAL CB C 13 30.8507 . . . . . . A 70 VAL CB . 19459 1 787 . 1 1 76 76 VAL CG1 C 13 21.9508 . . . . . . A 70 VAL CG1 . 19459 1 788 . 1 1 76 76 VAL CG2 C 13 21.0369 . . . . . . A 70 VAL CG2 . 19459 1 789 . 1 1 76 76 VAL N N 15 125.7448 . . . . . . A 70 VAL N . 19459 1 790 . 1 1 77 77 ASN H H 1 8.9942 . . . . . . A 71 ASN H . 19459 1 791 . 1 1 77 77 ASN HA H 1 4.0008 . . . . . . A 71 ASN HA . 19459 1 792 . 1 1 77 77 ASN HB2 H 1 1.5066 . . . . . . A 71 ASN HB2 . 19459 1 793 . 1 1 77 77 ASN HB3 H 1 2.5831 . . . . . . A 71 ASN HB3 . 19459 1 794 . 1 1 77 77 ASN C C 13 176.1674 . . . . . . A 71 ASN C . 19459 1 795 . 1 1 77 77 ASN CA C 13 55.5199 . . . . . . A 71 ASN CA . 19459 1 796 . 1 1 77 77 ASN CB C 13 36.2418 . . . . . . A 71 ASN CB . 19459 1 797 . 1 1 77 77 ASN N N 15 119.7024 . . . . . . A 71 ASN N . 19459 1 798 . 1 1 78 78 GLY H H 1 7.6371 . . . . . . A 72 GLY H . 19459 1 799 . 1 1 78 78 GLY HA2 H 1 4.2871 . . . . . . A 72 GLY HA2 . 19459 1 800 . 1 1 78 78 GLY HA3 H 1 4.4114 . . . . . . A 72 GLY HA3 . 19459 1 801 . 1 1 78 78 GLY C C 13 177.7319 . . . . . . A 72 GLY C . 19459 1 802 . 1 1 78 78 GLY CA C 13 47.0976 . . . . . . A 72 GLY CA . 19459 1 803 . 1 1 78 78 GLY N N 15 104.2545 . . . . . . A 72 GLY N . 19459 1 804 . 1 1 79 79 MET H H 1 8.8192 . . . . . . A 73 MET H . 19459 1 805 . 1 1 79 79 MET HA H 1 4.8867 . . . . . . A 73 MET HA . 19459 1 806 . 1 1 79 79 MET HB2 H 1 1.6394 . . . . . . A 73 MET HB2 . 19459 1 807 . 1 1 79 79 MET HG2 H 1 2.1204 . . . . . . A 73 MET HG2 . 19459 1 808 . 1 1 79 79 MET HE1 H 1 1.8438 . . . . . . A 73 MET HE1 . 19459 1 809 . 1 1 79 79 MET HE2 H 1 1.8438 . . . . . . A 73 MET HE2 . 19459 1 810 . 1 1 79 79 MET HE3 H 1 1.8438 . . . . . . A 73 MET HE3 . 19459 1 811 . 1 1 79 79 MET C C 13 175.1283 . . . . . . A 73 MET C . 19459 1 812 . 1 1 79 79 MET CA C 13 54.8899 . . . . . . A 73 MET CA . 19459 1 813 . 1 1 79 79 MET CB C 13 36.8367 . . . . . . A 73 MET CB . 19459 1 814 . 1 1 79 79 MET CG C 13 31.6172 . . . . . . A 73 MET CG . 19459 1 815 . 1 1 79 79 MET CE C 13 16.9345 . . . . . . A 73 MET CE . 19459 1 816 . 1 1 79 79 MET N N 15 116.5288 . . . . . . A 73 MET N . 19459 1 817 . 1 1 80 80 VAL H H 1 8.7963 . . . . . . A 74 VAL H . 19459 1 818 . 1 1 80 80 VAL HA H 1 4.6034 . . . . . . A 74 VAL HA . 19459 1 819 . 1 1 80 80 VAL HB H 1 1.8087 . . . . . . A 74 VAL HB . 19459 1 820 . 1 1 80 80 VAL HG11 H 1 0.2232 . . . . . . A 74 VAL HG11 . 19459 1 821 . 1 1 80 80 VAL HG12 H 1 0.2232 . . . . . . A 74 VAL HG12 . 19459 1 822 . 1 1 80 80 VAL HG13 H 1 0.2232 . . . . . . A 74 VAL HG13 . 19459 1 823 . 1 1 80 80 VAL HG21 H 1 0.6996 . . . . . . A 74 VAL HG21 . 19459 1 824 . 1 1 80 80 VAL HG22 H 1 0.6996 . . . . . . A 74 VAL HG22 . 19459 1 825 . 1 1 80 80 VAL HG23 H 1 0.6996 . . . . . . A 74 VAL HG23 . 19459 1 826 . 1 1 80 80 VAL C C 13 176.5726 . . . . . . A 74 VAL C . 19459 1 827 . 1 1 80 80 VAL CA C 13 59.0094 . . . . . . A 74 VAL CA . 19459 1 828 . 1 1 80 80 VAL CB C 13 34.5020 . . . . . . A 74 VAL CB . 19459 1 829 . 1 1 80 80 VAL CG1 C 13 23.8894 . . . . . . A 74 VAL CG1 . 19459 1 830 . 1 1 80 80 VAL CG2 C 13 18.3033 . . . . . . A 74 VAL CG2 . 19459 1 831 . 1 1 80 80 VAL N N 15 122.5110 . . . . . . A 74 VAL N . 19459 1 832 . 1 1 81 81 HIS H H 1 8.9766 . . . . . . A 75 HIS H . 19459 1 833 . 1 1 81 81 HIS HA H 1 4.7141 . . . . . . A 75 HIS HA . 19459 1 834 . 1 1 81 81 HIS HB2 H 1 2.8988 . . . . . . A 75 HIS HB2 . 19459 1 835 . 1 1 81 81 HIS HB3 H 1 2.9701 . . . . . . A 75 HIS HB3 . 19459 1 836 . 1 1 81 81 HIS HD2 H 1 6.6887 . . . . . . A 75 HIS HD2 . 19459 1 837 . 1 1 81 81 HIS HE1 H 1 8.5061 . . . . . . A 75 HIS HE1 . 19459 1 838 . 1 1 81 81 HIS C C 13 175.5004 . . . . . . A 75 HIS C . 19459 1 839 . 1 1 81 81 HIS CA C 13 53.6853 . . . . . . A 75 HIS CA . 19459 1 840 . 1 1 81 81 HIS CB C 13 29.0078 . . . . . . A 75 HIS CB . 19459 1 841 . 1 1 81 81 HIS CD2 C 13 120.1981 . . . . . . A 75 HIS CD2 . 19459 1 842 . 1 1 81 81 HIS CE1 C 13 137.0563 . . . . . . A 75 HIS CE1 . 19459 1 843 . 1 1 81 81 HIS N N 15 125.1998 . . . . . . A 75 HIS N . 19459 1 844 . 1 1 82 82 VAL H H 1 8.9264 . . . . . . A 76 VAL H . 19459 1 845 . 1 1 82 82 VAL HA H 1 4.1722 . . . . . . A 76 VAL HA . 19459 1 846 . 1 1 82 82 VAL HB H 1 2.0760 . . . . . . A 76 VAL HB . 19459 1 847 . 1 1 82 82 VAL HG11 H 1 0.8444 . . . . . . A 76 VAL HG11 . 19459 1 848 . 1 1 82 82 VAL HG12 H 1 0.8444 . . . . . . A 76 VAL HG12 . 19459 1 849 . 1 1 82 82 VAL HG13 H 1 0.8444 . . . . . . A 76 VAL HG13 . 19459 1 850 . 1 1 82 82 VAL HG21 H 1 0.7691 . . . . . . A 76 VAL HG21 . 19459 1 851 . 1 1 82 82 VAL HG22 H 1 0.7691 . . . . . . A 76 VAL HG22 . 19459 1 852 . 1 1 82 82 VAL HG23 H 1 0.7691 . . . . . . A 76 VAL HG23 . 19459 1 853 . 1 1 82 82 VAL C C 13 173.2570 . . . . . . A 76 VAL C . 19459 1 854 . 1 1 82 82 VAL CA C 13 62.1984 . . . . . . A 76 VAL CA . 19459 1 855 . 1 1 82 82 VAL CB C 13 31.3405 . . . . . . A 76 VAL CB . 19459 1 856 . 1 1 82 82 VAL CG1 C 13 21.7626 . . . . . . A 76 VAL CG1 . 19459 1 857 . 1 1 82 82 VAL CG2 C 13 20.6082 . . . . . . A 76 VAL CG2 . 19459 1 858 . 1 1 82 82 VAL N N 15 127.4563 . . . . . . A 76 VAL N . 19459 1 859 . 1 1 83 83 ILE H H 1 7.9784 . . . . . . A 77 ILE H . 19459 1 860 . 1 1 83 83 ILE HA H 1 4.1510 . . . . . . A 77 ILE HA . 19459 1 861 . 1 1 83 83 ILE HB H 1 1.9440 . . . . . . A 77 ILE HB . 19459 1 862 . 1 1 83 83 ILE HG12 H 1 1.2141 . . . . . . A 77 ILE HG12 . 19459 1 863 . 1 1 83 83 ILE HG13 H 1 1.4556 . . . . . . A 77 ILE HG13 . 19459 1 864 . 1 1 83 83 ILE HG21 H 1 0.9473 . . . . . . A 77 ILE HG21 . 19459 1 865 . 1 1 83 83 ILE HG22 H 1 0.9473 . . . . . . A 77 ILE HG22 . 19459 1 866 . 1 1 83 83 ILE HG23 H 1 0.9473 . . . . . . A 77 ILE HG23 . 19459 1 867 . 1 1 83 83 ILE HD11 H 1 0.8049 . . . . . . A 77 ILE HD11 . 19459 1 868 . 1 1 83 83 ILE HD12 H 1 0.8049 . . . . . . A 77 ILE HD12 . 19459 1 869 . 1 1 83 83 ILE HD13 H 1 0.8049 . . . . . . A 77 ILE HD13 . 19459 1 870 . 1 1 83 83 ILE C C 13 172.7443 . . . . . . A 77 ILE C . 19459 1 871 . 1 1 83 83 ILE CA C 13 62.9343 . . . . . . A 77 ILE CA . 19459 1 872 . 1 1 83 83 ILE CB C 13 39.1725 . . . . . . A 77 ILE CB . 19459 1 873 . 1 1 83 83 ILE CG1 C 13 27.4402 . . . . . . A 77 ILE CG1 . 19459 1 874 . 1 1 83 83 ILE CG2 C 13 17.8947 . . . . . . A 77 ILE CG2 . 19459 1 875 . 1 1 83 83 ILE CD1 C 13 12.9348 . . . . . . A 77 ILE CD1 . 19459 1 876 . 1 1 83 83 ILE N N 15 126.7559 . . . . . . A 77 ILE N . 19459 1 877 . 1 1 84 84 LYS H H 1 9.4151 . . . . . . A 78 LYS H . 19459 1 878 . 1 1 84 84 LYS HA H 1 4.5771 . . . . . . A 78 LYS HA . 19459 1 879 . 1 1 84 84 LYS HB2 H 1 1.7779 . . . . . . A 78 LYS HB2 . 19459 1 880 . 1 1 84 84 LYS HB3 H 1 2.0812 . . . . . . A 78 LYS HB3 . 19459 1 881 . 1 1 84 84 LYS HG2 H 1 1.4419 . . . . . . A 78 LYS HG2 . 19459 1 882 . 1 1 84 84 LYS HG3 H 1 1.4685 . . . . . . A 78 LYS HG3 . 19459 1 883 . 1 1 84 84 LYS HD2 H 1 1.7163 . . . . . . A 78 LYS HD2 . 19459 1 884 . 1 1 84 84 LYS HE2 H 1 2.9928 . . . . . . A 78 LYS HE2 . 19459 1 885 . 1 1 84 84 LYS C C 13 172.8002 . . . . . . A 78 LYS C . 19459 1 886 . 1 1 84 84 LYS CA C 13 55.3829 . . . . . . A 78 LYS CA . 19459 1 887 . 1 1 84 84 LYS CB C 13 32.8524 . . . . . . A 78 LYS CB . 19459 1 888 . 1 1 84 84 LYS CG C 13 25.0570 . . . . . . A 78 LYS CG . 19459 1 889 . 1 1 84 84 LYS CD C 13 29.0467 . . . . . . A 78 LYS CD . 19459 1 890 . 1 1 84 84 LYS CE C 13 42.0528 . . . . . . A 78 LYS CE . 19459 1 891 . 1 1 84 84 LYS N N 15 123.4271 . . . . . . A 78 LYS N . 19459 1 892 . 1 1 85 85 GLY H H 1 7.8567 . . . . . . A 79 GLY H . 19459 1 893 . 1 1 85 85 GLY HA2 H 1 3.8540 . . . . . . A 79 GLY HA2 . 19459 1 894 . 1 1 85 85 GLY HA3 H 1 4.3736 . . . . . . A 79 GLY HA3 . 19459 1 895 . 1 1 85 85 GLY C C 13 176.2210 . . . . . . A 79 GLY C . 19459 1 896 . 1 1 85 85 GLY CA C 13 44.8821 . . . . . . A 79 GLY CA . 19459 1 897 . 1 1 85 85 GLY N N 15 108.7766 . . . . . . A 79 GLY N . 19459 1 898 . 1 1 86 86 ILE H H 1 8.0761 . . . . . . A 80 ILE H . 19459 1 899 . 1 1 86 86 ILE HA H 1 4.9578 . . . . . . A 80 ILE HA . 19459 1 900 . 1 1 86 86 ILE HB H 1 2.4889 . . . . . . A 80 ILE HB . 19459 1 901 . 1 1 86 86 ILE HG21 H 1 1.0083 . . . . . . A 80 ILE HG21 . 19459 1 902 . 1 1 86 86 ILE HG22 H 1 1.0083 . . . . . . A 80 ILE HG22 . 19459 1 903 . 1 1 86 86 ILE HG23 H 1 1.0083 . . . . . . A 80 ILE HG23 . 19459 1 904 . 1 1 86 86 ILE HD11 H 1 0.9291 . . . . . . A 80 ILE HD11 . 19459 1 905 . 1 1 86 86 ILE HD12 H 1 0.9291 . . . . . . A 80 ILE HD12 . 19459 1 906 . 1 1 86 86 ILE HD13 H 1 0.9291 . . . . . . A 80 ILE HD13 . 19459 1 907 . 1 1 86 86 ILE C C 13 174.8831 . . . . . . A 80 ILE C . 19459 1 908 . 1 1 86 86 ILE CA C 13 60.6574 . . . . . . A 80 ILE CA . 19459 1 909 . 1 1 86 86 ILE CB C 13 38.7110 . . . . . . A 80 ILE CB . 19459 1 910 . 1 1 86 86 ILE CG2 C 13 18.5538 . . . . . . A 80 ILE CG2 . 19459 1 911 . 1 1 86 86 ILE CD1 C 13 13.7929 . . . . . . A 80 ILE CD1 . 19459 1 912 . 1 1 86 86 ILE N N 15 109.1306 . . . . . . A 80 ILE N . 19459 1 913 . 1 1 87 87 GLN H H 1 7.6824 . . . . . . A 81 GLN H . 19459 1 914 . 1 1 87 87 GLN HA H 1 4.6662 . . . . . . A 81 GLN HA . 19459 1 915 . 1 1 87 87 GLN HB2 H 1 1.8342 . . . . . . A 81 GLN HB2 . 19459 1 916 . 1 1 87 87 GLN HB3 H 1 1.9727 . . . . . . A 81 GLN HB3 . 19459 1 917 . 1 1 87 87 GLN HE21 H 1 7.4172 . . . . . . A 81 GLN HE21 . 19459 1 918 . 1 1 87 87 GLN HE22 H 1 6.8607 . . . . . . A 81 GLN HE22 . 19459 1 919 . 1 1 87 87 GLN C C 13 172.9886 . . . . . . A 81 GLN C . 19459 1 920 . 1 1 87 87 GLN CA C 13 55.5012 . . . . . . A 81 GLN CA . 19459 1 921 . 1 1 87 87 GLN CB C 13 30.6739 . . . . . . A 81 GLN CB . 19459 1 922 . 1 1 87 87 GLN CG C 13 34.3532 . . . . . . A 81 GLN CG . 19459 1 923 . 1 1 87 87 GLN N N 15 116.7321 . . . . . . A 81 GLN N . 19459 1 924 . 1 1 87 87 GLN NE2 N 15 112.0347 . . . . . . A 81 GLN NE2 . 19459 1 925 . 1 1 88 88 PHE H H 1 8.6150 . . . . . . A 82 PHE H . 19459 1 926 . 1 1 88 88 PHE HA H 1 3.8800 . . . . . . A 82 PHE HA . 19459 1 927 . 1 1 88 88 PHE HB2 H 1 2.3988 . . . . . . A 82 PHE HB2 . 19459 1 928 . 1 1 88 88 PHE HB3 H 1 3.0715 . . . . . . A 82 PHE HB3 . 19459 1 929 . 1 1 88 88 PHE HD1 H 1 6.7426 . . . . . . A 82 PHE HD1 . 19459 1 930 . 1 1 88 88 PHE HD2 H 1 6.7426 . . . . . . A 82 PHE HD2 . 19459 1 931 . 1 1 88 88 PHE HE1 H 1 7.3951 . . . . . . A 82 PHE HE1 . 19459 1 932 . 1 1 88 88 PHE HE2 H 1 7.3951 . . . . . . A 82 PHE HE2 . 19459 1 933 . 1 1 88 88 PHE C C 13 173.6805 . . . . . . A 82 PHE C . 19459 1 934 . 1 1 88 88 PHE CA C 13 58.6852 . . . . . . A 82 PHE CA . 19459 1 935 . 1 1 88 88 PHE CB C 13 40.1191 . . . . . . A 82 PHE CB . 19459 1 936 . 1 1 88 88 PHE CD1 C 13 130.9733 . . . . . . A 82 PHE CD1 . 19459 1 937 . 1 1 88 88 PHE CD2 C 13 130.9733 . . . . . . A 82 PHE CD2 . 19459 1 938 . 1 1 88 88 PHE CE1 C 13 131.8809 . . . . . . A 82 PHE CE1 . 19459 1 939 . 1 1 88 88 PHE CE2 C 13 131.8809 . . . . . . A 82 PHE CE2 . 19459 1 940 . 1 1 88 88 PHE N N 15 119.7730 . . . . . . A 82 PHE N . 19459 1 941 . 1 1 89 89 GLY H H 1 9.0856 . . . . . . A 83 GLY H . 19459 1 942 . 1 1 89 89 GLY HA2 H 1 3.2943 . . . . . . A 83 GLY HA2 . 19459 1 943 . 1 1 89 89 GLY HA3 H 1 3.9614 . . . . . . A 83 GLY HA3 . 19459 1 944 . 1 1 89 89 GLY C C 13 174.6621 . . . . . . A 83 GLY C . 19459 1 945 . 1 1 89 89 GLY CA C 13 44.4910 . . . . . . A 83 GLY CA . 19459 1 946 . 1 1 89 89 GLY N N 15 119.5073 . . . . . . A 83 GLY N . 19459 1 947 . 1 1 90 90 SER H H 1 8.5729 . . . . . . A 84 SER H . 19459 1 948 . 1 1 90 90 SER HA H 1 4.4154 . . . . . . A 84 SER HA . 19459 1 949 . 1 1 90 90 SER HB2 H 1 3.9011 . . . . . . A 84 SER HB2 . 19459 1 950 . 1 1 90 90 SER C C 13 177.2474 . . . . . . A 84 SER C . 19459 1 951 . 1 1 90 90 SER CA C 13 60.1113 . . . . . . A 84 SER CA . 19459 1 952 . 1 1 90 90 SER CB C 13 64.2805 . . . . . . A 84 SER CB . 19459 1 953 . 1 1 90 90 SER N N 15 118.1276 . . . . . . A 84 SER N . 19459 1 954 . 1 1 91 91 GLN H H 1 8.2112 . . . . . . A 85 GLN H . 19459 1 955 . 1 1 91 91 GLN HA H 1 5.8188 . . . . . . A 85 GLN HA . 19459 1 956 . 1 1 91 91 GLN HB2 H 1 1.9737 . . . . . . A 85 GLN HB2 . 19459 1 957 . 1 1 91 91 GLN HB3 H 1 2.0576 . . . . . . A 85 GLN HB3 . 19459 1 958 . 1 1 91 91 GLN HG2 H 1 2.3467 . . . . . . A 85 GLN HG2 . 19459 1 959 . 1 1 91 91 GLN HG3 H 1 2.4206 . . . . . . A 85 GLN HG3 . 19459 1 960 . 1 1 91 91 GLN C C 13 172.7954 . . . . . . A 85 GLN C . 19459 1 961 . 1 1 91 91 GLN CA C 13 54.1647 . . . . . . A 85 GLN CA . 19459 1 962 . 1 1 91 91 GLN CB C 13 32.7439 . . . . . . A 85 GLN CB . 19459 1 963 . 1 1 91 91 GLN CG C 13 34.6718 . . . . . . A 85 GLN CG . 19459 1 964 . 1 1 91 91 GLN N N 15 119.9135 . . . . . . A 85 GLN N . 19459 1 965 . 1 1 92 92 ILE H H 1 9.2148 . . . . . . A 86 ILE H . 19459 1 966 . 1 1 92 92 ILE HA H 1 4.7566 . . . . . . A 86 ILE HA . 19459 1 967 . 1 1 92 92 ILE HB H 1 1.2573 . . . . . . A 86 ILE HB . 19459 1 968 . 1 1 92 92 ILE HG21 H 1 0.7096 . . . . . . A 86 ILE HG21 . 19459 1 969 . 1 1 92 92 ILE HG22 H 1 0.7096 . . . . . . A 86 ILE HG22 . 19459 1 970 . 1 1 92 92 ILE HG23 H 1 0.7096 . . . . . . A 86 ILE HG23 . 19459 1 971 . 1 1 92 92 ILE HD11 H 1 -0.6638 . . . . . . A 86 ILE HD11 . 19459 1 972 . 1 1 92 92 ILE HD12 H 1 -0.6638 . . . . . . A 86 ILE HD12 . 19459 1 973 . 1 1 92 92 ILE HD13 H 1 -0.6638 . . . . . . A 86 ILE HD13 . 19459 1 974 . 1 1 92 92 ILE C C 13 174.9689 . . . . . . A 86 ILE C . 19459 1 975 . 1 1 92 92 ILE CA C 13 59.8268 . . . . . . A 86 ILE CA . 19459 1 976 . 1 1 92 92 ILE CB C 13 40.7944 . . . . . . A 86 ILE CB . 19459 1 977 . 1 1 92 92 ILE CG2 C 13 19.7444 . . . . . . A 86 ILE CG2 . 19459 1 978 . 1 1 92 92 ILE CD1 C 13 12.5080 . . . . . . A 86 ILE CD1 . 19459 1 979 . 1 1 92 92 ILE N N 15 119.7239 . . . . . . A 86 ILE N . 19459 1 980 . 1 1 93 93 LYS H H 1 7.5997 . . . . . . A 87 LYS H . 19459 1 981 . 1 1 93 93 LYS HA H 1 5.2352 . . . . . . A 87 LYS HA . 19459 1 982 . 1 1 93 93 LYS HB2 H 1 1.5224 . . . . . . A 87 LYS HB2 . 19459 1 983 . 1 1 93 93 LYS HB3 H 1 1.9403 . . . . . . A 87 LYS HB3 . 19459 1 984 . 1 1 93 93 LYS HG2 H 1 1.3347 . . . . . . A 87 LYS HG2 . 19459 1 985 . 1 1 93 93 LYS HG3 H 1 1.3702 . . . . . . A 87 LYS HG3 . 19459 1 986 . 1 1 93 93 LYS HD2 H 1 1.6138 . . . . . . A 87 LYS HD2 . 19459 1 987 . 1 1 93 93 LYS HE2 H 1 2.8438 . . . . . . A 87 LYS HE2 . 19459 1 988 . 1 1 93 93 LYS C C 13 174.5989 . . . . . . A 87 LYS C . 19459 1 989 . 1 1 93 93 LYS CA C 13 53.7132 . . . . . . A 87 LYS CA . 19459 1 990 . 1 1 93 93 LYS CB C 13 36.8274 . . . . . . A 87 LYS CB . 19459 1 991 . 1 1 93 93 LYS CG C 13 25.3251 . . . . . . A 87 LYS CG . 19459 1 992 . 1 1 93 93 LYS CD C 13 28.8306 . . . . . . A 87 LYS CD . 19459 1 993 . 1 1 93 93 LYS CE C 13 42.1037 . . . . . . A 87 LYS CE . 19459 1 994 . 1 1 93 93 LYS N N 15 117.1351 . . . . . . A 87 LYS N . 19459 1 995 . 1 1 94 94 TYR H H 1 8.6013 . . . . . . A 88 TYR H . 19459 1 996 . 1 1 94 94 TYR HA H 1 5.4219 . . . . . . A 88 TYR HA . 19459 1 997 . 1 1 94 94 TYR HB2 H 1 2.4769 . . . . . . A 88 TYR HB2 . 19459 1 998 . 1 1 94 94 TYR HB3 H 1 2.6864 . . . . . . A 88 TYR HB3 . 19459 1 999 . 1 1 94 94 TYR HD1 H 1 6.6722 . . . . . . A 88 TYR HD1 . 19459 1 1000 . 1 1 94 94 TYR HD2 H 1 6.6722 . . . . . . A 88 TYR HD2 . 19459 1 1001 . 1 1 94 94 TYR C C 13 174.4071 . . . . . . A 88 TYR C . 19459 1 1002 . 1 1 94 94 TYR CA C 13 56.9352 . . . . . . A 88 TYR CA . 19459 1 1003 . 1 1 94 94 TYR CB C 13 43.9586 . . . . . . A 88 TYR CB . 19459 1 1004 . 1 1 94 94 TYR CD1 C 13 130.5401 . . . . . . A 88 TYR CD1 . 19459 1 1005 . 1 1 94 94 TYR CD2 C 13 130.5401 . . . . . . A 88 TYR CD2 . 19459 1 1006 . 1 1 94 94 TYR N N 15 119.0043 . . . . . . A 88 TYR N . 19459 1 1007 . 1 1 95 95 SER H H 1 9.0069 . . . . . . A 89 SER H . 19459 1 1008 . 1 1 95 95 SER HA H 1 4.6677 . . . . . . A 89 SER HA . 19459 1 1009 . 1 1 95 95 SER HB2 H 1 3.8896 . . . . . . A 89 SER HB2 . 19459 1 1010 . 1 1 95 95 SER HB3 H 1 4.1235 . . . . . . A 89 SER HB3 . 19459 1 1011 . 1 1 95 95 SER C C 13 177.1362 . . . . . . A 89 SER C . 19459 1 1012 . 1 1 95 95 SER CA C 13 57.2907 . . . . . . A 89 SER CA . 19459 1 1013 . 1 1 95 95 SER CB C 13 66.5336 . . . . . . A 89 SER CB . 19459 1 1014 . 1 1 95 95 SER N N 15 113.2284 . . . . . . A 89 SER N . 19459 1 1015 . 1 1 96 96 CYS H H 1 8.8059 . . . . . . A 90 CYS H . 19459 1 1016 . 1 1 96 96 CYS HA H 1 5.4210 . . . . . . A 90 CYS HA . 19459 1 1017 . 1 1 96 96 CYS HB2 H 1 2.5046 . . . . . . A 90 CYS HB2 . 19459 1 1018 . 1 1 96 96 CYS HB3 H 1 3.0416 . . . . . . A 90 CYS HB3 . 19459 1 1019 . 1 1 96 96 CYS C C 13 173.8116 . . . . . . A 90 CYS C . 19459 1 1020 . 1 1 96 96 CYS CA C 13 53.0842 . . . . . . A 90 CYS CA . 19459 1 1021 . 1 1 96 96 CYS CB C 13 41.4042 . . . . . . A 90 CYS CB . 19459 1 1022 . 1 1 96 96 CYS N N 15 116.0086 . . . . . . A 90 CYS N . 19459 1 1023 . 1 1 97 97 THR H H 1 8.7370 . . . . . . A 91 THR H . 19459 1 1024 . 1 1 97 97 THR HA H 1 3.9938 . . . . . . A 91 THR HA . 19459 1 1025 . 1 1 97 97 THR HB H 1 3.8609 . . . . . . A 91 THR HB . 19459 1 1026 . 1 1 97 97 THR HG21 H 1 1.3008 . . . . . . A 91 THR HG21 . 19459 1 1027 . 1 1 97 97 THR HG22 H 1 1.3008 . . . . . . A 91 THR HG22 . 19459 1 1028 . 1 1 97 97 THR HG23 H 1 1.3008 . . . . . . A 91 THR HG23 . 19459 1 1029 . 1 1 97 97 THR C C 13 176.4450 . . . . . . A 91 THR C . 19459 1 1030 . 1 1 97 97 THR CA C 13 63.4395 . . . . . . A 91 THR CA . 19459 1 1031 . 1 1 97 97 THR CB C 13 69.6075 . . . . . . A 91 THR CB . 19459 1 1032 . 1 1 97 97 THR CG2 C 13 22.0561 . . . . . . A 91 THR CG2 . 19459 1 1033 . 1 1 97 97 THR N N 15 120.8126 . . . . . . A 91 THR N . 19459 1 1034 . 1 1 98 98 LYS H H 1 8.3252 . . . . . . A 92 LYS H . 19459 1 1035 . 1 1 98 98 LYS HA H 1 4.1041 . . . . . . A 92 LYS HA . 19459 1 1036 . 1 1 98 98 LYS HB2 H 1 1.7896 . . . . . . A 92 LYS HB2 . 19459 1 1037 . 1 1 98 98 LYS HB3 H 1 1.8842 . . . . . . A 92 LYS HB3 . 19459 1 1038 . 1 1 98 98 LYS HG2 H 1 1.4011 . . . . . . A 92 LYS HG2 . 19459 1 1039 . 1 1 98 98 LYS HG3 H 1 1.5025 . . . . . . A 92 LYS HG3 . 19459 1 1040 . 1 1 98 98 LYS HD2 H 1 1.7035 . . . . . . A 92 LYS HD2 . 19459 1 1041 . 1 1 98 98 LYS HE2 H 1 2.9868 . . . . . . A 92 LYS HE2 . 19459 1 1042 . 1 1 98 98 LYS C C 13 172.3104 . . . . . . A 92 LYS C . 19459 1 1043 . 1 1 98 98 LYS CA C 13 58.8873 . . . . . . A 92 LYS CA . 19459 1 1044 . 1 1 98 98 LYS CB C 13 32.1395 . . . . . . A 92 LYS CB . 19459 1 1045 . 1 1 98 98 LYS CG C 13 24.5431 . . . . . . A 92 LYS CG . 19459 1 1046 . 1 1 98 98 LYS CD C 13 29.4137 . . . . . . A 92 LYS CD . 19459 1 1047 . 1 1 98 98 LYS CE C 13 42.1022 . . . . . . A 92 LYS CE . 19459 1 1048 . 1 1 98 98 LYS N N 15 124.9632 . . . . . . A 92 LYS N . 19459 1 1049 . 1 1 99 99 GLY H H 1 8.8271 . . . . . . A 93 GLY H . 19459 1 1050 . 1 1 99 99 GLY HA2 H 1 3.5216 . . . . . . A 93 GLY HA2 . 19459 1 1051 . 1 1 99 99 GLY HA3 H 1 4.2197 . . . . . . A 93 GLY HA3 . 19459 1 1052 . 1 1 99 99 GLY C C 13 175.1269 . . . . . . A 93 GLY C . 19459 1 1053 . 1 1 99 99 GLY CA C 13 44.7105 . . . . . . A 93 GLY CA . 19459 1 1054 . 1 1 99 99 GLY N N 15 113.6080 . . . . . . A 93 GLY N . 19459 1 1055 . 1 1 100 100 TYR H H 1 8.2812 . . . . . . A 94 TYR H . 19459 1 1056 . 1 1 100 100 TYR HA H 1 4.6417 . . . . . . A 94 TYR HA . 19459 1 1057 . 1 1 100 100 TYR HB2 H 1 2.5141 . . . . . . A 94 TYR HB2 . 19459 1 1058 . 1 1 100 100 TYR HB3 H 1 3.2490 . . . . . . A 94 TYR HB3 . 19459 1 1059 . 1 1 100 100 TYR HD1 H 1 6.7166 . . . . . . A 94 TYR HD1 . 19459 1 1060 . 1 1 100 100 TYR HD2 H 1 6.7166 . . . . . . A 94 TYR HD2 . 19459 1 1061 . 1 1 100 100 TYR HE1 H 1 6.6579 . . . . . . A 94 TYR HE1 . 19459 1 1062 . 1 1 100 100 TYR HE2 H 1 6.6579 . . . . . . A 94 TYR HE2 . 19459 1 1063 . 1 1 100 100 TYR C C 13 174.5477 . . . . . . A 94 TYR C . 19459 1 1064 . 1 1 100 100 TYR CA C 13 57.1578 . . . . . . A 94 TYR CA . 19459 1 1065 . 1 1 100 100 TYR CB C 13 40.1938 . . . . . . A 94 TYR CB . 19459 1 1066 . 1 1 100 100 TYR CD1 C 13 133.1372 . . . . . . A 94 TYR CD1 . 19459 1 1067 . 1 1 100 100 TYR CD2 C 13 133.1372 . . . . . . A 94 TYR CD2 . 19459 1 1068 . 1 1 100 100 TYR CE1 C 13 117.6587 . . . . . . A 94 TYR CE1 . 19459 1 1069 . 1 1 100 100 TYR CE2 C 13 117.6587 . . . . . . A 94 TYR CE2 . 19459 1 1070 . 1 1 100 100 TYR N N 15 119.8999 . . . . . . A 94 TYR N . 19459 1 1071 . 1 1 101 101 ARG H H 1 9.6085 . . . . . . A 95 ARG H . 19459 1 1072 . 1 1 101 101 ARG HA H 1 4.5277 . . . . . . A 95 ARG HA . 19459 1 1073 . 1 1 101 101 ARG HB2 H 1 1.6845 . . . . . . A 95 ARG HB2 . 19459 1 1074 . 1 1 101 101 ARG HB3 H 1 1.7680 . . . . . . A 95 ARG HB3 . 19459 1 1075 . 1 1 101 101 ARG HG2 H 1 1.5510 . . . . . . A 95 ARG HG2 . 19459 1 1076 . 1 1 101 101 ARG HD2 H 1 3.1472 . . . . . . A 95 ARG HD2 . 19459 1 1077 . 1 1 101 101 ARG C C 13 175.1785 . . . . . . A 95 ARG C . 19459 1 1078 . 1 1 101 101 ARG CA C 13 54.5535 . . . . . . A 95 ARG CA . 19459 1 1079 . 1 1 101 101 ARG CB C 13 32.2014 . . . . . . A 95 ARG CB . 19459 1 1080 . 1 1 101 101 ARG CG C 13 27.3699 . . . . . . A 95 ARG CG . 19459 1 1081 . 1 1 101 101 ARG CD C 13 43.4734 . . . . . . A 95 ARG CD . 19459 1 1082 . 1 1 101 101 ARG N N 15 122.4306 . . . . . . A 95 ARG N . 19459 1 1083 . 1 1 102 102 LEU H H 1 8.2306 . . . . . . A 96 LEU H . 19459 1 1084 . 1 1 102 102 LEU HA H 1 4.6623 . . . . . . A 96 LEU HA . 19459 1 1085 . 1 1 102 102 LEU HB2 H 1 1.4636 . . . . . . A 96 LEU HB2 . 19459 1 1086 . 1 1 102 102 LEU HB3 H 1 1.6528 . . . . . . A 96 LEU HB3 . 19459 1 1087 . 1 1 102 102 LEU HG H 1 1.1739 . . . . . . A 96 LEU HG . 19459 1 1088 . 1 1 102 102 LEU HD11 H 1 0.6279 . . . . . . A 96 LEU HD11 . 19459 1 1089 . 1 1 102 102 LEU HD12 H 1 0.6279 . . . . . . A 96 LEU HD12 . 19459 1 1090 . 1 1 102 102 LEU HD13 H 1 0.6279 . . . . . . A 96 LEU HD13 . 19459 1 1091 . 1 1 102 102 LEU HD21 H 1 0.4882 . . . . . . A 96 LEU HD21 . 19459 1 1092 . 1 1 102 102 LEU HD22 H 1 0.4882 . . . . . . A 96 LEU HD22 . 19459 1 1093 . 1 1 102 102 LEU HD23 H 1 0.4882 . . . . . . A 96 LEU HD23 . 19459 1 1094 . 1 1 102 102 LEU C C 13 172.4204 . . . . . . A 96 LEU C . 19459 1 1095 . 1 1 102 102 LEU CA C 13 56.5027 . . . . . . A 96 LEU CA . 19459 1 1096 . 1 1 102 102 LEU CB C 13 42.8057 . . . . . . A 96 LEU CB . 19459 1 1097 . 1 1 102 102 LEU CG C 13 28.1562 . . . . . . A 96 LEU CG . 19459 1 1098 . 1 1 102 102 LEU CD1 C 13 26.0821 . . . . . . A 96 LEU CD1 . 19459 1 1099 . 1 1 102 102 LEU CD2 C 13 25.4652 . . . . . . A 96 LEU CD2 . 19459 1 1100 . 1 1 102 102 LEU N N 15 125.6524 . . . . . . A 96 LEU N . 19459 1 1101 . 1 1 103 103 ILE H H 1 9.6605 . . . . . . A 97 ILE H . 19459 1 1102 . 1 1 103 103 ILE HA H 1 4.2399 . . . . . . A 97 ILE HA . 19459 1 1103 . 1 1 103 103 ILE HB H 1 1.8732 . . . . . . A 97 ILE HB . 19459 1 1104 . 1 1 103 103 ILE HG12 H 1 1.1103 . . . . . . A 97 ILE HG12 . 19459 1 1105 . 1 1 103 103 ILE HG13 H 1 1.4248 . . . . . . A 97 ILE HG13 . 19459 1 1106 . 1 1 103 103 ILE HG21 H 1 0.8139 . . . . . . A 97 ILE HG21 . 19459 1 1107 . 1 1 103 103 ILE HG22 H 1 0.8139 . . . . . . A 97 ILE HG22 . 19459 1 1108 . 1 1 103 103 ILE HG23 H 1 0.8139 . . . . . . A 97 ILE HG23 . 19459 1 1109 . 1 1 103 103 ILE HD11 H 1 0.7788 . . . . . . A 97 ILE HD11 . 19459 1 1110 . 1 1 103 103 ILE HD12 H 1 0.7788 . . . . . . A 97 ILE HD12 . 19459 1 1111 . 1 1 103 103 ILE HD13 H 1 0.7788 . . . . . . A 97 ILE HD13 . 19459 1 1112 . 1 1 103 103 ILE C C 13 174.1576 . . . . . . A 97 ILE C . 19459 1 1113 . 1 1 103 103 ILE CA C 13 61.1692 . . . . . . A 97 ILE CA . 19459 1 1114 . 1 1 103 103 ILE CB C 13 37.8026 . . . . . . A 97 ILE CB . 19459 1 1115 . 1 1 103 103 ILE CG1 C 13 26.6386 . . . . . . A 97 ILE CG1 . 19459 1 1116 . 1 1 103 103 ILE CG2 C 13 17.2861 . . . . . . A 97 ILE CG2 . 19459 1 1117 . 1 1 103 103 ILE CD1 C 13 13.1022 . . . . . . A 97 ILE CD1 . 19459 1 1118 . 1 1 103 103 ILE N N 15 131.5967 . . . . . . A 97 ILE N . 19459 1 1119 . 1 1 104 104 GLY H H 1 8.4648 . . . . . . A 98 GLY H . 19459 1 1120 . 1 1 104 104 GLY HA2 H 1 3.6171 . . . . . . A 98 GLY HA2 . 19459 1 1121 . 1 1 104 104 GLY HA3 H 1 4.5428 . . . . . . A 98 GLY HA3 . 19459 1 1122 . 1 1 104 104 GLY C C 13 176.9235 . . . . . . A 98 GLY C . 19459 1 1123 . 1 1 104 104 GLY CA C 13 43.0640 . . . . . . A 98 GLY CA . 19459 1 1124 . 1 1 104 104 GLY N N 15 116.7305 . . . . . . A 98 GLY N . 19459 1 1125 . 1 1 105 105 SER H H 1 8.7594 . . . . . . A 99 SER H . 19459 1 1126 . 1 1 105 105 SER HA H 1 4.5092 . . . . . . A 99 SER HA . 19459 1 1127 . 1 1 105 105 SER HB2 H 1 3.7771 . . . . . . A 99 SER HB2 . 19459 1 1128 . 1 1 105 105 SER HB3 H 1 4.0186 . . . . . . A 99 SER HB3 . 19459 1 1129 . 1 1 105 105 SER C C 13 175.0127 . . . . . . A 99 SER C . 19459 1 1130 . 1 1 105 105 SER CA C 13 58.3282 . . . . . . A 99 SER CA . 19459 1 1131 . 1 1 105 105 SER CB C 13 63.9962 . . . . . . A 99 SER CB . 19459 1 1132 . 1 1 105 105 SER N N 15 116.6316 . . . . . . A 99 SER N . 19459 1 1133 . 1 1 106 106 SER H H 1 8.6175 . . . . . . A 100 SER H . 19459 1 1134 . 1 1 106 106 SER HA H 1 4.4466 . . . . . . A 100 SER HA . 19459 1 1135 . 1 1 106 106 SER HB2 H 1 3.9350 . . . . . . A 100 SER HB2 . 19459 1 1136 . 1 1 106 106 SER HB3 H 1 4.3367 . . . . . . A 100 SER HB3 . 19459 1 1137 . 1 1 106 106 SER C C 13 175.4033 . . . . . . A 100 SER C . 19459 1 1138 . 1 1 106 106 SER CA C 13 59.2089 . . . . . . A 100 SER CA . 19459 1 1139 . 1 1 106 106 SER CB C 13 64.0346 . . . . . . A 100 SER CB . 19459 1 1140 . 1 1 106 106 SER N N 15 116.6962 . . . . . . A 100 SER N . 19459 1 1141 . 1 1 107 107 SER H H 1 7.9517 . . . . . . A 101 SER H . 19459 1 1142 . 1 1 107 107 SER HA H 1 5.3456 . . . . . . A 101 SER HA . 19459 1 1143 . 1 1 107 107 SER HB2 H 1 3.8435 . . . . . . A 101 SER HB2 . 19459 1 1144 . 1 1 107 107 SER HB3 H 1 3.8889 . . . . . . A 101 SER HB3 . 19459 1 1145 . 1 1 107 107 SER C C 13 176.8882 . . . . . . A 101 SER C . 19459 1 1146 . 1 1 107 107 SER CA C 13 57.0214 . . . . . . A 101 SER CA . 19459 1 1147 . 1 1 107 107 SER CB C 13 66.3907 . . . . . . A 101 SER CB . 19459 1 1148 . 1 1 107 107 SER N N 15 115.2473 . . . . . . A 101 SER N . 19459 1 1149 . 1 1 108 108 ALA H H 1 8.2858 . . . . . . A 102 ALA H . 19459 1 1150 . 1 1 108 108 ALA HA H 1 5.0874 . . . . . . A 102 ALA HA . 19459 1 1151 . 1 1 108 108 ALA HB1 H 1 1.5890 . . . . . . A 102 ALA HB1 . 19459 1 1152 . 1 1 108 108 ALA HB2 H 1 1.5890 . . . . . . A 102 ALA HB2 . 19459 1 1153 . 1 1 108 108 ALA HB3 H 1 1.5890 . . . . . . A 102 ALA HB3 . 19459 1 1154 . 1 1 108 108 ALA C C 13 173.8074 . . . . . . A 102 ALA C . 19459 1 1155 . 1 1 108 108 ALA CA C 13 51.8229 . . . . . . A 102 ALA CA . 19459 1 1156 . 1 1 108 108 ALA CB C 13 24.0707 . . . . . . A 102 ALA CB . 19459 1 1157 . 1 1 108 108 ALA N N 15 121.4376 . . . . . . A 102 ALA N . 19459 1 1158 . 1 1 109 109 THR H H 1 9.6356 . . . . . . A 103 THR H . 19459 1 1159 . 1 1 109 109 THR HA H 1 5.5600 . . . . . . A 103 THR HA . 19459 1 1160 . 1 1 109 109 THR HB H 1 3.8003 . . . . . . A 103 THR HB . 19459 1 1161 . 1 1 109 109 THR HG21 H 1 1.0448 . . . . . . A 103 THR HG21 . 19459 1 1162 . 1 1 109 109 THR HG22 H 1 1.0448 . . . . . . A 103 THR HG22 . 19459 1 1163 . 1 1 109 109 THR HG23 H 1 1.0448 . . . . . . A 103 THR HG23 . 19459 1 1164 . 1 1 109 109 THR C C 13 176.1587 . . . . . . A 103 THR C . 19459 1 1165 . 1 1 109 109 THR CA C 13 61.3416 . . . . . . A 103 THR CA . 19459 1 1166 . 1 1 109 109 THR CB C 13 71.1706 . . . . . . A 103 THR CB . 19459 1 1167 . 1 1 109 109 THR CG2 C 13 21.2915 . . . . . . A 103 THR CG2 . 19459 1 1168 . 1 1 109 109 THR N N 15 118.0074 . . . . . . A 103 THR N . 19459 1 1169 . 1 1 110 110 CYS H H 1 8.3380 . . . . . . A 104 CYS H . 19459 1 1170 . 1 1 110 110 CYS HA H 1 4.3663 . . . . . . A 104 CYS HA . 19459 1 1171 . 1 1 110 110 CYS HB2 H 1 1.5931 . . . . . . A 104 CYS HB2 . 19459 1 1172 . 1 1 110 110 CYS C C 13 174.8916 . . . . . . A 104 CYS C . 19459 1 1173 . 1 1 110 110 CYS CA C 13 55.4791 . . . . . . A 104 CYS CA . 19459 1 1174 . 1 1 110 110 CYS CB C 13 39.1854 . . . . . . A 104 CYS CB . 19459 1 1175 . 1 1 110 110 CYS N N 15 127.6024 . . . . . . A 104 CYS N . 19459 1 1176 . 1 1 111 111 ILE H H 1 9.3752 . . . . . . A 105 ILE H . 19459 1 1177 . 1 1 111 111 ILE HA H 1 4.9087 . . . . . . A 105 ILE HA . 19459 1 1178 . 1 1 111 111 ILE HB H 1 2.0546 . . . . . . A 105 ILE HB . 19459 1 1179 . 1 1 111 111 ILE HG21 H 1 1.0120 . . . . . . A 105 ILE HG21 . 19459 1 1180 . 1 1 111 111 ILE HG22 H 1 1.0120 . . . . . . A 105 ILE HG22 . 19459 1 1181 . 1 1 111 111 ILE HG23 H 1 1.0120 . . . . . . A 105 ILE HG23 . 19459 1 1182 . 1 1 111 111 ILE HD11 H 1 0.9293 . . . . . . A 105 ILE HD11 . 19459 1 1183 . 1 1 111 111 ILE HD12 H 1 0.9293 . . . . . . A 105 ILE HD12 . 19459 1 1184 . 1 1 111 111 ILE HD13 H 1 0.9293 . . . . . . A 105 ILE HD13 . 19459 1 1185 . 1 1 111 111 ILE C C 13 174.3899 . . . . . . A 105 ILE C . 19459 1 1186 . 1 1 111 111 ILE CA C 13 60.2213 . . . . . . A 105 ILE CA . 19459 1 1187 . 1 1 111 111 ILE CB C 13 42.5220 . . . . . . A 105 ILE CB . 19459 1 1188 . 1 1 111 111 ILE CG2 C 13 17.9680 . . . . . . A 105 ILE CG2 . 19459 1 1189 . 1 1 111 111 ILE CD1 C 13 14.3450 . . . . . . A 105 ILE CD1 . 19459 1 1190 . 1 1 111 111 ILE N N 15 126.7745 . . . . . . A 105 ILE N . 19459 1 1191 . 1 1 112 112 ILE H H 1 8.0411 . . . . . . A 106 ILE H . 19459 1 1192 . 1 1 112 112 ILE HA H 1 4.0700 . . . . . . A 106 ILE HA . 19459 1 1193 . 1 1 112 112 ILE HB H 1 1.5296 . . . . . . A 106 ILE HB . 19459 1 1194 . 1 1 112 112 ILE HG12 H 1 0.5791 . . . . . . A 106 ILE HG12 . 19459 1 1195 . 1 1 112 112 ILE HG13 H 1 1.2683 . . . . . . A 106 ILE HG13 . 19459 1 1196 . 1 1 112 112 ILE HG21 H 1 0.7921 . . . . . . A 106 ILE HG21 . 19459 1 1197 . 1 1 112 112 ILE HG22 H 1 0.7921 . . . . . . A 106 ILE HG22 . 19459 1 1198 . 1 1 112 112 ILE HG23 H 1 0.7921 . . . . . . A 106 ILE HG23 . 19459 1 1199 . 1 1 112 112 ILE HD11 H 1 0.4877 . . . . . . A 106 ILE HD11 . 19459 1 1200 . 1 1 112 112 ILE HD12 H 1 0.4877 . . . . . . A 106 ILE HD12 . 19459 1 1201 . 1 1 112 112 ILE HD13 H 1 0.4877 . . . . . . A 106 ILE HD13 . 19459 1 1202 . 1 1 112 112 ILE C C 13 172.5597 . . . . . . A 106 ILE C . 19459 1 1203 . 1 1 112 112 ILE CA C 13 61.8885 . . . . . . A 106 ILE CA . 19459 1 1204 . 1 1 112 112 ILE CB C 13 39.6848 . . . . . . A 106 ILE CB . 19459 1 1205 . 1 1 112 112 ILE CG1 C 13 28.4298 . . . . . . A 106 ILE CG1 . 19459 1 1206 . 1 1 112 112 ILE CG2 C 13 17.9729 . . . . . . A 106 ILE CG2 . 19459 1 1207 . 1 1 112 112 ILE CD1 C 13 14.3843 . . . . . . A 106 ILE CD1 . 19459 1 1208 . 1 1 112 112 ILE N N 15 118.2564 . . . . . . A 106 ILE N . 19459 1 1209 . 1 1 113 113 SER H H 1 8.0134 . . . . . . A 107 SER H . 19459 1 1210 . 1 1 113 113 SER HA H 1 4.3763 . . . . . . A 107 SER HA . 19459 1 1211 . 1 1 113 113 SER HB2 H 1 3.4140 . . . . . . A 107 SER HB2 . 19459 1 1212 . 1 1 113 113 SER C C 13 174.5937 . . . . . . A 107 SER C . 19459 1 1213 . 1 1 113 113 SER CA C 13 57.1108 . . . . . . A 107 SER CA . 19459 1 1214 . 1 1 113 113 SER CB C 13 63.8347 . . . . . . A 107 SER CB . 19459 1 1215 . 1 1 113 113 SER N N 15 120.1668 . . . . . . A 107 SER N . 19459 1 1216 . 1 1 114 114 GLY H H 1 9.1161 . . . . . . A 108 GLY H . 19459 1 1217 . 1 1 114 114 GLY HA2 H 1 3.6103 . . . . . . A 108 GLY HA2 . 19459 1 1218 . 1 1 114 114 GLY HA3 H 1 3.9205 . . . . . . A 108 GLY HA3 . 19459 1 1219 . 1 1 114 114 GLY C C 13 174.6646 . . . . . . A 108 GLY C . 19459 1 1220 . 1 1 114 114 GLY CA C 13 47.4878 . . . . . . A 108 GLY CA . 19459 1 1221 . 1 1 114 114 GLY N N 15 119.0887 . . . . . . A 108 GLY N . 19459 1 1222 . 1 1 115 115 ASP H H 1 8.8446 . . . . . . A 109 ASP H . 19459 1 1223 . 1 1 115 115 ASP HA H 1 4.7607 . . . . . . A 109 ASP HA . 19459 1 1224 . 1 1 115 115 ASP HB2 H 1 2.6371 . . . . . . A 109 ASP HB2 . 19459 1 1225 . 1 1 115 115 ASP HB3 H 1 2.7091 . . . . . . A 109 ASP HB3 . 19459 1 1226 . 1 1 115 115 ASP C C 13 173.7243 . . . . . . A 109 ASP C . 19459 1 1227 . 1 1 115 115 ASP CA C 13 53.7228 . . . . . . A 109 ASP CA . 19459 1 1228 . 1 1 115 115 ASP CB C 13 41.2316 . . . . . . A 109 ASP CB . 19459 1 1229 . 1 1 115 115 ASP N N 15 127.1427 . . . . . . A 109 ASP N . 19459 1 1230 . 1 1 116 116 THR H H 1 8.1344 . . . . . . A 110 THR H . 19459 1 1231 . 1 1 116 116 THR HA H 1 4.6628 . . . . . . A 110 THR HA . 19459 1 1232 . 1 1 116 116 THR HB H 1 4.0666 . . . . . . A 110 THR HB . 19459 1 1233 . 1 1 116 116 THR HG21 H 1 1.2049 . . . . . . A 110 THR HG21 . 19459 1 1234 . 1 1 116 116 THR HG22 H 1 1.2049 . . . . . . A 110 THR HG22 . 19459 1 1235 . 1 1 116 116 THR HG23 H 1 1.2049 . . . . . . A 110 THR HG23 . 19459 1 1236 . 1 1 116 116 THR C C 13 175.6361 . . . . . . A 110 THR C . 19459 1 1237 . 1 1 116 116 THR CA C 13 58.6120 . . . . . . A 110 THR CA . 19459 1 1238 . 1 1 116 116 THR CB C 13 71.1461 . . . . . . A 110 THR CB . 19459 1 1239 . 1 1 116 116 THR CG2 C 13 19.4705 . . . . . . A 110 THR CG2 . 19459 1 1240 . 1 1 116 116 THR N N 15 115.0438 . . . . . . A 110 THR N . 19459 1 1241 . 1 1 117 117 VAL H H 1 8.3100 . . . . . . A 111 VAL H . 19459 1 1242 . 1 1 117 117 VAL HA H 1 5.3149 . . . . . . A 111 VAL HA . 19459 1 1243 . 1 1 117 117 VAL HB H 1 1.9441 . . . . . . A 111 VAL HB . 19459 1 1244 . 1 1 117 117 VAL HG11 H 1 0.4339 . . . . . . A 111 VAL HG11 . 19459 1 1245 . 1 1 117 117 VAL HG12 H 1 0.4339 . . . . . . A 111 VAL HG12 . 19459 1 1246 . 1 1 117 117 VAL HG13 H 1 0.4339 . . . . . . A 111 VAL HG13 . 19459 1 1247 . 1 1 117 117 VAL HG21 H 1 0.3982 . . . . . . A 111 VAL HG21 . 19459 1 1248 . 1 1 117 117 VAL HG22 H 1 0.3982 . . . . . . A 111 VAL HG22 . 19459 1 1249 . 1 1 117 117 VAL HG23 H 1 0.3982 . . . . . . A 111 VAL HG23 . 19459 1 1250 . 1 1 117 117 VAL C C 13 174.7523 . . . . . . A 111 VAL C . 19459 1 1251 . 1 1 117 117 VAL CA C 13 58.6408 . . . . . . A 111 VAL CA . 19459 1 1252 . 1 1 117 117 VAL CB C 13 33.8243 . . . . . . A 111 VAL CB . 19459 1 1253 . 1 1 117 117 VAL CG1 C 13 22.8951 . . . . . . A 111 VAL CG1 . 19459 1 1254 . 1 1 117 117 VAL CG2 C 13 19.6553 . . . . . . A 111 VAL CG2 . 19459 1 1255 . 1 1 117 117 VAL N N 15 115.7276 . . . . . . A 111 VAL N . 19459 1 1256 . 1 1 118 118 ILE H H 1 8.9453 . . . . . . A 112 ILE H . 19459 1 1257 . 1 1 118 118 ILE HA H 1 4.5059 . . . . . . A 112 ILE HA . 19459 1 1258 . 1 1 118 118 ILE HB H 1 1.8812 . . . . . . A 112 ILE HB . 19459 1 1259 . 1 1 118 118 ILE HG21 H 1 0.8068 . . . . . . A 112 ILE HG21 . 19459 1 1260 . 1 1 118 118 ILE HG22 H 1 0.8068 . . . . . . A 112 ILE HG22 . 19459 1 1261 . 1 1 118 118 ILE HG23 H 1 0.8068 . . . . . . A 112 ILE HG23 . 19459 1 1262 . 1 1 118 118 ILE C C 13 174.6366 . . . . . . A 112 ILE C . 19459 1 1263 . 1 1 118 118 ILE CA C 13 59.4949 . . . . . . A 112 ILE CA . 19459 1 1264 . 1 1 118 118 ILE CB C 13 43.1915 . . . . . . A 112 ILE CB . 19459 1 1265 . 1 1 118 118 ILE CG2 C 13 18.0444 . . . . . . A 112 ILE CG2 . 19459 1 1266 . 1 1 118 118 ILE N N 15 117.1157 . . . . . . A 112 ILE N . 19459 1 1267 . 1 1 119 119 TRP H H 1 7.5673 . . . . . . A 113 TRP H . 19459 1 1268 . 1 1 119 119 TRP HA H 1 5.1068 . . . . . . A 113 TRP HA . 19459 1 1269 . 1 1 119 119 TRP HB2 H 1 3.1002 . . . . . . A 113 TRP HB2 . 19459 1 1270 . 1 1 119 119 TRP HB3 H 1 3.3758 . . . . . . A 113 TRP HB3 . 19459 1 1271 . 1 1 119 119 TRP HD1 H 1 7.2672 . . . . . . A 113 TRP HD1 . 19459 1 1272 . 1 1 119 119 TRP HE1 H 1 10.6543 . . . . . . A 113 TRP HE1 . 19459 1 1273 . 1 1 119 119 TRP HE3 H 1 7.1630 . . . . . . A 113 TRP HE3 . 19459 1 1274 . 1 1 119 119 TRP HZ2 H 1 7.2186 . . . . . . A 113 TRP HZ2 . 19459 1 1275 . 1 1 119 119 TRP HZ3 H 1 7.0074 . . . . . . A 113 TRP HZ3 . 19459 1 1276 . 1 1 119 119 TRP HH2 H 1 6.9353 . . . . . . A 113 TRP HH2 . 19459 1 1277 . 1 1 119 119 TRP C C 13 170.4133 . . . . . . A 113 TRP C . 19459 1 1278 . 1 1 119 119 TRP CA C 13 56.3766 . . . . . . A 113 TRP CA . 19459 1 1279 . 1 1 119 119 TRP CB C 13 30.2962 . . . . . . A 113 TRP CB . 19459 1 1280 . 1 1 119 119 TRP CD1 C 13 126.7320 . . . . . . A 113 TRP CD1 . 19459 1 1281 . 1 1 119 119 TRP CE3 C 13 120.6065 . . . . . . A 113 TRP CE3 . 19459 1 1282 . 1 1 119 119 TRP CZ2 C 13 113.3908 . . . . . . A 113 TRP CZ2 . 19459 1 1283 . 1 1 119 119 TRP CZ3 C 13 123.2667 . . . . . . A 113 TRP CZ3 . 19459 1 1284 . 1 1 119 119 TRP CH2 C 13 124.2543 . . . . . . A 113 TRP CH2 . 19459 1 1285 . 1 1 119 119 TRP N N 15 121.7546 . . . . . . A 113 TRP N . 19459 1 1286 . 1 1 119 119 TRP NE1 N 15 128.0620 . . . . . . A 113 TRP NE1 . 19459 1 1287 . 1 1 120 120 ASP H H 1 9.4507 . . . . . . A 114 ASP H . 19459 1 1288 . 1 1 120 120 ASP HA H 1 4.2067 . . . . . . A 114 ASP HA . 19459 1 1289 . 1 1 120 120 ASP HB2 H 1 2.8414 . . . . . . A 114 ASP HB2 . 19459 1 1290 . 1 1 120 120 ASP HB3 H 1 3.1317 . . . . . . A 114 ASP HB3 . 19459 1 1291 . 1 1 120 120 ASP C C 13 174.0833 . . . . . . A 114 ASP C . 19459 1 1292 . 1 1 120 120 ASP CA C 13 55.4007 . . . . . . A 114 ASP CA . 19459 1 1293 . 1 1 120 120 ASP CB C 13 40.1491 . . . . . . A 114 ASP CB . 19459 1 1294 . 1 1 120 120 ASP N N 15 123.2862 . . . . . . A 114 ASP N . 19459 1 1295 . 1 1 121 121 GLN H H 1 7.3054 . . . . . . A 115 GLN H . 19459 1 1296 . 1 1 121 121 GLN HA H 1 4.7455 . . . . . . A 115 GLN HA . 19459 1 1297 . 1 1 121 121 GLN HB2 H 1 2.7522 . . . . . . A 115 GLN HB2 . 19459 1 1298 . 1 1 121 121 GLN HG2 H 1 2.3766 . . . . . . A 115 GLN HG2 . 19459 1 1299 . 1 1 121 121 GLN C C 13 173.6391 . . . . . . A 115 GLN C . 19459 1 1300 . 1 1 121 121 GLN CA C 13 53.1827 . . . . . . A 115 GLN CA . 19459 1 1301 . 1 1 121 121 GLN CB C 13 32.3229 . . . . . . A 115 GLN CB . 19459 1 1302 . 1 1 121 121 GLN CG C 13 32.0933 . . . . . . A 115 GLN CG . 19459 1 1303 . 1 1 121 121 GLN N N 15 116.1386 . . . . . . A 115 GLN N . 19459 1 1304 . 1 1 122 122 GLU H H 1 8.6149 . . . . . . A 116 GLU H . 19459 1 1305 . 1 1 122 122 GLU HA H 1 4.3304 . . . . . . A 116 GLU HA . 19459 1 1306 . 1 1 122 122 GLU HB2 H 1 1.8486 . . . . . . A 116 GLU HB2 . 19459 1 1307 . 1 1 122 122 GLU HB3 H 1 2.0565 . . . . . . A 116 GLU HB3 . 19459 1 1308 . 1 1 122 122 GLU HG2 H 1 2.3794 . . . . . . A 116 GLU HG2 . 19459 1 1309 . 1 1 122 122 GLU HG3 H 1 2.4036 . . . . . . A 116 GLU HG3 . 19459 1 1310 . 1 1 122 122 GLU C C 13 173.5785 . . . . . . A 116 GLU C . 19459 1 1311 . 1 1 122 122 GLU CA C 13 55.1569 . . . . . . A 116 GLU CA . 19459 1 1312 . 1 1 122 122 GLU CB C 13 30.2152 . . . . . . A 116 GLU CB . 19459 1 1313 . 1 1 122 122 GLU CG C 13 35.4422 . . . . . . A 116 GLU CG . 19459 1 1314 . 1 1 122 122 GLU N N 15 120.8806 . . . . . . A 116 GLU N . 19459 1 1315 . 1 1 123 123 THR H H 1 8.0746 . . . . . . A 117 THR H . 19459 1 1316 . 1 1 123 123 THR HA H 1 3.6088 . . . . . . A 117 THR HA . 19459 1 1317 . 1 1 123 123 THR HB H 1 3.7465 . . . . . . A 117 THR HB . 19459 1 1318 . 1 1 123 123 THR HG21 H 1 1.1106 . . . . . . A 117 THR HG21 . 19459 1 1319 . 1 1 123 123 THR HG22 H 1 1.1106 . . . . . . A 117 THR HG22 . 19459 1 1320 . 1 1 123 123 THR HG23 H 1 1.1106 . . . . . . A 117 THR HG23 . 19459 1 1321 . 1 1 123 123 THR C C 13 176.6990 . . . . . . A 117 THR C . 19459 1 1322 . 1 1 123 123 THR CA C 13 61.7574 . . . . . . A 117 THR CA . 19459 1 1323 . 1 1 123 123 THR CB C 13 69.7991 . . . . . . A 117 THR CB . 19459 1 1324 . 1 1 123 123 THR CG2 C 13 21.0710 . . . . . . A 117 THR CG2 . 19459 1 1325 . 1 1 123 123 THR N N 15 119.8894 . . . . . . A 117 THR N . 19459 1 1326 . 1 1 124 124 PRO HA H 1 4.5316 . . . . . . A 118 PRO HA . 19459 1 1327 . 1 1 124 124 PRO C C 13 175.2998 . . . . . . A 118 PRO C . 19459 1 1328 . 1 1 124 124 PRO CA C 13 62.3599 . . . . . . A 118 PRO CA . 19459 1 1329 . 1 1 124 124 PRO CB C 13 32.8884 . . . . . . A 118 PRO CB . 19459 1 1330 . 1 1 125 125 ILE H H 1 7.8740 . . . . . . A 119 ILE H . 19459 1 1331 . 1 1 125 125 ILE HA H 1 4.2873 . . . . . . A 119 ILE HA . 19459 1 1332 . 1 1 125 125 ILE HB H 1 1.7198 . . . . . . A 119 ILE HB . 19459 1 1333 . 1 1 125 125 ILE HG12 H 1 1.1411 . . . . . . A 119 ILE HG12 . 19459 1 1334 . 1 1 125 125 ILE HG13 H 1 1.4284 . . . . . . A 119 ILE HG13 . 19459 1 1335 . 1 1 125 125 ILE HG21 H 1 0.8309 . . . . . . A 119 ILE HG21 . 19459 1 1336 . 1 1 125 125 ILE HG22 H 1 0.8309 . . . . . . A 119 ILE HG22 . 19459 1 1337 . 1 1 125 125 ILE HG23 H 1 0.8309 . . . . . . A 119 ILE HG23 . 19459 1 1338 . 1 1 125 125 ILE HD11 H 1 0.8069 . . . . . . A 119 ILE HD11 . 19459 1 1339 . 1 1 125 125 ILE HD12 H 1 0.8069 . . . . . . A 119 ILE HD12 . 19459 1 1340 . 1 1 125 125 ILE HD13 H 1 0.8069 . . . . . . A 119 ILE HD13 . 19459 1 1341 . 1 1 125 125 ILE C C 13 174.7483 . . . . . . A 119 ILE C . 19459 1 1342 . 1 1 125 125 ILE CA C 13 59.2417 . . . . . . A 119 ILE CA . 19459 1 1343 . 1 1 125 125 ILE CB C 13 41.1841 . . . . . . A 119 ILE CB . 19459 1 1344 . 1 1 125 125 ILE CG1 C 13 27.7560 . . . . . . A 119 ILE CG1 . 19459 1 1345 . 1 1 125 125 ILE CG2 C 13 17.8322 . . . . . . A 119 ILE CG2 . 19459 1 1346 . 1 1 125 125 ILE CD1 C 13 13.0458 . . . . . . A 119 ILE CD1 . 19459 1 1347 . 1 1 125 125 ILE N N 15 114.7294 . . . . . . A 119 ILE N . 19459 1 1348 . 1 1 126 126 CYS H H 1 8.5832 . . . . . . A 120 CYS H . 19459 1 1349 . 1 1 126 126 CYS HA H 1 5.5495 . . . . . . A 120 CYS HA . 19459 1 1350 . 1 1 126 126 CYS HB2 H 1 2.4359 . . . . . . A 120 CYS HB2 . 19459 1 1351 . 1 1 126 126 CYS HB3 H 1 3.2357 . . . . . . A 120 CYS HB3 . 19459 1 1352 . 1 1 126 126 CYS C C 13 175.5826 . . . . . . A 120 CYS C . 19459 1 1353 . 1 1 126 126 CYS CA C 13 53.6941 . . . . . . A 120 CYS CA . 19459 1 1354 . 1 1 126 126 CYS CB C 13 41.4498 . . . . . . A 120 CYS CB . 19459 1 1355 . 1 1 126 126 CYS N N 15 123.4438 . . . . . . A 120 CYS N . 19459 1 1356 . 1 1 127 127 ASP H H 1 9.3086 . . . . . . A 121 ASP H . 19459 1 1357 . 1 1 127 127 ASP HA H 1 5.3074 . . . . . . A 121 ASP HA . 19459 1 1358 . 1 1 127 127 ASP HB2 H 1 2.4665 . . . . . . A 121 ASP HB2 . 19459 1 1359 . 1 1 127 127 ASP HB3 H 1 2.7509 . . . . . . A 121 ASP HB3 . 19459 1 1360 . 1 1 127 127 ASP C C 13 174.4948 . . . . . . A 121 ASP C . 19459 1 1361 . 1 1 127 127 ASP CA C 13 52.2168 . . . . . . A 121 ASP CA . 19459 1 1362 . 1 1 127 127 ASP CB C 13 44.4032 . . . . . . A 121 ASP CB . 19459 1 1363 . 1 1 127 127 ASP N N 15 124.4592 . . . . . . A 121 ASP N . 19459 1 1364 . 1 1 128 128 ARG H H 1 8.4637 . . . . . . A 122 ARG H . 19459 1 1365 . 1 1 128 128 ARG HA H 1 3.9952 . . . . . . A 122 ARG HA . 19459 1 1366 . 1 1 128 128 ARG HB2 H 1 1.4852 . . . . . . A 122 ARG HB2 . 19459 1 1367 . 1 1 128 128 ARG HB3 H 1 1.5501 . . . . . . A 122 ARG HB3 . 19459 1 1368 . 1 1 128 128 ARG CA C 13 58.2313 . . . . . . A 122 ARG CA . 19459 1 1369 . 1 1 128 128 ARG CB C 13 31.0145 . . . . . . A 122 ARG CB . 19459 1 1370 . 1 1 128 128 ARG N N 15 126.8203 . . . . . . A 122 ARG N . 19459 1 stop_ save_