data_5973 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5973 _Entry.Title ; Solution Structure of Dengue Virus Capsid Protein Reveals a New Fold ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-15 _Entry.Accession_date 2003-10-15 _Entry.Last_release_date 2004-04-07 _Entry.Original_release_date 2004-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lixin Ma . . . 5973 2 Christopher Jones . T. . 5973 3 Teresa Groesch . D. . 5973 4 Richard Kuhn . J. . 5973 5 Carol Post . B. . 5973 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5973 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 618 5973 '13C chemical shifts' 394 5973 '15N chemical shifts' 104 5973 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-04-07 2003-10-15 original author . 5973 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5973 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14993605 _Citation.Full_citation . _Citation.Title 'Solution Structure of Dengue Virus Capsid Protein Reveals another Fold' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 101 _Citation.Journal_issue 10 _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 3414 _Citation.Page_last 3419 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lixin Ma . . . 5973 1 2 Christopher Jones . T. . 5973 1 3 Teresa Groesch . D. . 5973 1 4 Richard Kuhn . J. . 5973 1 5 Carol Post . B. . 5973 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR structure of flavivirus core protein' 5973 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DEN2C _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DEN2C _Assembly.Entry_ID 5973 _Assembly.ID 1 _Assembly.Name 'Dengue type 2 virus capsid protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5973 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DEN2C subunit A' 1 $DEN2C_monomer . . . native . . 1 . . 5973 1 2 'DEN2C subunit B' 1 $DEN2C_monomer . . . native . . 1 . . 5973 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Dengue type 2 virus capsid protein' system 5973 1 DEN2C abbreviation 5973 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DEN2C_monomer _Entity.Sf_category entity _Entity.Sf_framecode DEN2C_monomer _Entity.Entry_ID 5973 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'capsid protein of flavivirus' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNDQRKKARNTPFNMLKRER NRVSTVQQLTKRFSLGMLQG RGPLKLFMALVAFLRFLTIP PTAGILKRWGTIKKSKAINV LRGFRKEIGRMLNILNRRRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1R6R . "Solution Structure Of Dengue Virus Capsid Protein Reveals A New Fold" . . . . . 100.00 100 100.00 100.00 5.71e-62 . . . . 5973 1 2 no DBJ BAA00255 . "polyprotein [Dengue virus type 2]" . . . . . 100.00 779 99.00 100.00 2.34e-57 . . . . 5973 1 3 no DBJ BAD36758 . "polyprotein [Dengue virus 2]" . . . . . 100.00 3391 98.00 100.00 2.01e-55 . . . . 5973 1 4 no DBJ BAD36759 . "polyprotein [Dengue virus 2]" . . . . . 100.00 3391 98.00 100.00 2.01e-55 . . . . 5973 1 5 no DBJ BAD36760 . "polyprotein [Dengue virus 2]" . . . . . 100.00 3391 98.00 100.00 2.01e-55 . . . . 5973 1 6 no DBJ BAD42415 . "polyprotein [Dengue virus 2]" . . . . . 100.00 3391 99.00 100.00 5.06e-56 . . . . 5973 1 7 no EMBL CAA36004 . "unnamed protein product [Dengue virus 2]" . . . . . 100.00 114 99.00 100.00 1.67e-61 . . . . 5973 1 8 no EMBL CAA36005 . "unnamed protein product [Dengue virus 2]" . . . . . 100.00 114 99.00 100.00 1.67e-61 . . . . 5973 1 9 no EMBL CAD31751 . "DEN2 polyprotein [Dengue virus 2]" . . . . . 100.00 3391 98.00 100.00 1.27e-55 . . . . 5973 1 10 no EMBL CAI92123 . "polyprotein [Dengue virus 2]" . . . . . 100.00 3391 98.00 100.00 1.49e-55 . . . . 5973 1 11 no EMBL CAR65133 . "polyprotein [Dengue virus 2]" . . . . . 100.00 3391 98.00 100.00 2.30e-55 . . . . 5973 1 12 no GB AAA42941 . "viral polyprotein [Dengue virus 2]" . . . . . 100.00 3391 99.00 100.00 5.26e-56 . . . . 5973 1 13 no GB AAA42942 . "polyprotein [Dengue virus 2]" . . . . . 100.00 3391 98.00 100.00 2.30e-55 . . . . 5973 1 14 no GB AAA42961 . "polyprotein [Dengue virus 2]" . . . . . 100.00 791 98.00 100.00 9.63e-57 . . . . 5973 1 15 no GB AAA42962 . "polyprotein [Dengue virus 2]" . . . . . 100.00 3388 100.00 100.00 6.74e-57 . . . . 5973 1 16 no GB AAA73185 . "nonstructural protein 5 [Dengue virus 2]" . . . . . 100.00 3391 98.00 100.00 3.61e-56 . . . . 5973 1 17 no REF NP_056776 . "Polyprotein [Dengue virus 2]" . . . . . 100.00 3391 98.00 100.00 1.13e-55 . . . . 5973 1 18 no REF NP_739581 . "Anchored capsid protein [Dengue virus 2]" . . . . . 100.00 114 98.00 100.00 7.58e-61 . . . . 5973 1 19 no REF NP_739591 . "Capsid protein [Dengue virus 2]" . . . . . 100.00 100 98.00 100.00 1.11e-60 . . . . 5973 1 20 no SP P07564 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 100.00 3391 98.00 100.00 2.30e-55 . . . . 5973 1 21 no SP P12823 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 100.00 3388 100.00 100.00 6.74e-57 . . . . 5973 1 22 no SP P14337 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 100.00 3391 98.00 100.00 1.12e-55 . . . . 5973 1 23 no SP P14340 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 100.00 3391 99.00 100.00 5.26e-56 . . . . 5973 1 24 no SP P29990 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 100.00 3391 98.00 100.00 3.61e-56 . . . . 5973 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'capsid protein of flavivirus' common 5973 1 'Flavi C' abbreviation 5973 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5973 1 2 . ASN . 5973 1 3 . ASP . 5973 1 4 . GLN . 5973 1 5 . ARG . 5973 1 6 . LYS . 5973 1 7 . LYS . 5973 1 8 . ALA . 5973 1 9 . ARG . 5973 1 10 . ASN . 5973 1 11 . THR . 5973 1 12 . PRO . 5973 1 13 . PHE . 5973 1 14 . ASN . 5973 1 15 . MET . 5973 1 16 . LEU . 5973 1 17 . LYS . 5973 1 18 . ARG . 5973 1 19 . GLU . 5973 1 20 . ARG . 5973 1 21 . ASN . 5973 1 22 . ARG . 5973 1 23 . VAL . 5973 1 24 . SER . 5973 1 25 . THR . 5973 1 26 . VAL . 5973 1 27 . GLN . 5973 1 28 . GLN . 5973 1 29 . LEU . 5973 1 30 . THR . 5973 1 31 . LYS . 5973 1 32 . ARG . 5973 1 33 . PHE . 5973 1 34 . SER . 5973 1 35 . LEU . 5973 1 36 . GLY . 5973 1 37 . MET . 5973 1 38 . LEU . 5973 1 39 . GLN . 5973 1 40 . GLY . 5973 1 41 . ARG . 5973 1 42 . GLY . 5973 1 43 . PRO . 5973 1 44 . LEU . 5973 1 45 . LYS . 5973 1 46 . LEU . 5973 1 47 . PHE . 5973 1 48 . MET . 5973 1 49 . ALA . 5973 1 50 . LEU . 5973 1 51 . VAL . 5973 1 52 . ALA . 5973 1 53 . PHE . 5973 1 54 . LEU . 5973 1 55 . ARG . 5973 1 56 . PHE . 5973 1 57 . LEU . 5973 1 58 . THR . 5973 1 59 . ILE . 5973 1 60 . PRO . 5973 1 61 . PRO . 5973 1 62 . THR . 5973 1 63 . ALA . 5973 1 64 . GLY . 5973 1 65 . ILE . 5973 1 66 . LEU . 5973 1 67 . LYS . 5973 1 68 . ARG . 5973 1 69 . TRP . 5973 1 70 . GLY . 5973 1 71 . THR . 5973 1 72 . ILE . 5973 1 73 . LYS . 5973 1 74 . LYS . 5973 1 75 . SER . 5973 1 76 . LYS . 5973 1 77 . ALA . 5973 1 78 . ILE . 5973 1 79 . ASN . 5973 1 80 . VAL . 5973 1 81 . LEU . 5973 1 82 . ARG . 5973 1 83 . GLY . 5973 1 84 . PHE . 5973 1 85 . ARG . 5973 1 86 . LYS . 5973 1 87 . GLU . 5973 1 88 . ILE . 5973 1 89 . GLY . 5973 1 90 . ARG . 5973 1 91 . MET . 5973 1 92 . LEU . 5973 1 93 . ASN . 5973 1 94 . ILE . 5973 1 95 . LEU . 5973 1 96 . ASN . 5973 1 97 . ARG . 5973 1 98 . ARG . 5973 1 99 . ARG . 5973 1 100 . ARG . 5973 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5973 1 . ASN 2 2 5973 1 . ASP 3 3 5973 1 . GLN 4 4 5973 1 . ARG 5 5 5973 1 . LYS 6 6 5973 1 . LYS 7 7 5973 1 . ALA 8 8 5973 1 . ARG 9 9 5973 1 . ASN 10 10 5973 1 . THR 11 11 5973 1 . PRO 12 12 5973 1 . PHE 13 13 5973 1 . ASN 14 14 5973 1 . MET 15 15 5973 1 . LEU 16 16 5973 1 . LYS 17 17 5973 1 . ARG 18 18 5973 1 . GLU 19 19 5973 1 . ARG 20 20 5973 1 . ASN 21 21 5973 1 . ARG 22 22 5973 1 . VAL 23 23 5973 1 . SER 24 24 5973 1 . THR 25 25 5973 1 . VAL 26 26 5973 1 . GLN 27 27 5973 1 . GLN 28 28 5973 1 . LEU 29 29 5973 1 . THR 30 30 5973 1 . LYS 31 31 5973 1 . ARG 32 32 5973 1 . PHE 33 33 5973 1 . SER 34 34 5973 1 . LEU 35 35 5973 1 . GLY 36 36 5973 1 . MET 37 37 5973 1 . LEU 38 38 5973 1 . GLN 39 39 5973 1 . GLY 40 40 5973 1 . ARG 41 41 5973 1 . GLY 42 42 5973 1 . PRO 43 43 5973 1 . LEU 44 44 5973 1 . LYS 45 45 5973 1 . LEU 46 46 5973 1 . PHE 47 47 5973 1 . MET 48 48 5973 1 . ALA 49 49 5973 1 . LEU 50 50 5973 1 . VAL 51 51 5973 1 . ALA 52 52 5973 1 . PHE 53 53 5973 1 . LEU 54 54 5973 1 . ARG 55 55 5973 1 . PHE 56 56 5973 1 . LEU 57 57 5973 1 . THR 58 58 5973 1 . ILE 59 59 5973 1 . PRO 60 60 5973 1 . PRO 61 61 5973 1 . THR 62 62 5973 1 . ALA 63 63 5973 1 . GLY 64 64 5973 1 . ILE 65 65 5973 1 . LEU 66 66 5973 1 . LYS 67 67 5973 1 . ARG 68 68 5973 1 . TRP 69 69 5973 1 . GLY 70 70 5973 1 . THR 71 71 5973 1 . ILE 72 72 5973 1 . LYS 73 73 5973 1 . LYS 74 74 5973 1 . SER 75 75 5973 1 . LYS 76 76 5973 1 . ALA 77 77 5973 1 . ILE 78 78 5973 1 . ASN 79 79 5973 1 . VAL 80 80 5973 1 . LEU 81 81 5973 1 . ARG 82 82 5973 1 . GLY 83 83 5973 1 . PHE 84 84 5973 1 . ARG 85 85 5973 1 . LYS 86 86 5973 1 . GLU 87 87 5973 1 . ILE 88 88 5973 1 . GLY 89 89 5973 1 . ARG 90 90 5973 1 . MET 91 91 5973 1 . LEU 92 92 5973 1 . ASN 93 93 5973 1 . ILE 94 94 5973 1 . LEU 95 95 5973 1 . ASN 96 96 5973 1 . ARG 97 97 5973 1 . ARG 98 98 5973 1 . ARG 99 99 5973 1 . ARG 100 100 5973 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 5973 _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 $DEN2C_monomer . 12637 . . 'Flavivirus dengue virus' 'Dengue virus' . . Viruses . Flavivirus 'dengue virus' PR-159S1 . . . . . . . . . . . . . . . . . . . . 5973 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 5973 _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 $DEN2C_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5973 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C-denC _Sample.Sf_category sample _Sample.Sf_framecode 13C-denC _Sample.Entry_ID 5973 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'capsid protein of flavivirus' '[U-13C; U-15N]' . . 1 $DEN2C_monomer . . 1.6 . . mM . . . . 5973 1 stop_ save_ save_15N-denC _Sample.Sf_category sample _Sample.Sf_framecode 15N-denC _Sample.Entry_ID 5973 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'capsid protein of flavivirus' [U-15N] . . 1 $DEN2C_monomer . . . 2.0 4.0 mM . . . . 5973 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5973 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 n/a 5973 1 temperature 300 1 K 5973 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5973 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data process' 5973 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5973 _Software.ID 2 _Software.Name Sparky _Software.Version . _Software.Details ; Goddard, T.D. and Kneller, D.G., SPARKY3, University of California, San Francisco. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 5973 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5973 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5973 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 5973 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 5973 _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 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5973 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5973 1 3 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5973 1 4 HC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5973 1 5 HCCHTOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5973 1 6 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5973 1 7 hbCBcgcdHD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5973 1 8 hbCBcgcdHDHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5973 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5973 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5973 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5973 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5973 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5973 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5973 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5973 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name hbCBcgcdHD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5973 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name hbCBcgcdHDHE _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5973 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5973 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5973 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5973 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5973 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $13C-denC . 5973 1 . . 2 $15N-denC . 5973 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN CA C 13 53.764 . . . . . . . . . . . 5973 1 2 . 1 1 2 2 ASN CB C 13 39.072 . . . . . . . . . . . 5973 1 3 . 1 1 2 2 ASN HA H 1 4.870 . . . . . . . . . . . 5973 1 4 . 1 1 2 2 ASN HB2 H 1 2.915 . . . . . . . . . . . 5973 1 5 . 1 1 3 3 ASP C C 13 174.675 . . . . . . . . . . . 5973 1 6 . 1 1 3 3 ASP CA C 13 54.877 . . . . . . . . . . . 5973 1 7 . 1 1 3 3 ASP CB C 13 41.485 . . . . . . . . . . . 5973 1 8 . 1 1 3 3 ASP HA H 1 4.626 . . . . . . . . . . . 5973 1 9 . 1 1 3 3 ASP HB2 H 1 2.755 . . . . . . . . . . . 5973 1 10 . 1 1 3 3 ASP HB3 H 1 2.728 . . . . . . . . . . . 5973 1 11 . 1 1 3 3 ASP H H 1 8.524 . . . . . . . . . . . 5973 1 12 . 1 1 3 3 ASP N N 15 121.349 . . . . . . . . . . . 5973 1 13 . 1 1 4 4 GLN C C 13 176.550 . . . . . . . . . . . 5973 1 14 . 1 1 4 4 GLN CA C 13 56.731 . . . . . . . . . . . 5973 1 15 . 1 1 4 4 GLN CB C 13 29.466 . . . . . . . . . . . 5973 1 16 . 1 1 4 4 GLN CG C 13 34.256 . . . . . . . . . . . 5973 1 17 . 1 1 4 4 GLN HA H 1 4.341 . . . . . . . . . . . 5973 1 18 . 1 1 4 4 GLN HB2 H 1 2.239 . . . . . . . . . . . 5973 1 19 . 1 1 4 4 GLN HB3 H 1 2.075 . . . . . . . . . . . 5973 1 20 . 1 1 4 4 GLN HE21 H 1 7.604 . . . . . . . . . . . 5973 1 21 . 1 1 4 4 GLN HE22 H 1 6.947 . . . . . . . . . . . 5973 1 22 . 1 1 4 4 GLN HG2 H 1 2.448 . . . . . . . . . . . 5973 1 23 . 1 1 4 4 GLN H H 1 8.539 . . . . . . . . . . . 5973 1 24 . 1 1 4 4 GLN N N 15 121.097 . . . . . . . . . . . 5973 1 25 . 1 1 4 4 GLN NE2 N 15 112.565 . . . . . . . . . . . 5973 1 26 . 1 1 5 5 ARG C C 13 176.702 . . . . . . . . . . . 5973 1 27 . 1 1 5 5 ARG CA C 13 57.026 . . . . . . . . . . . 5973 1 28 . 1 1 5 5 ARG CB C 13 30.952 . . . . . . . . . . . 5973 1 29 . 1 1 5 5 ARG CD C 13 43.780 . . . . . . . . . . . 5973 1 30 . 1 1 5 5 ARG CG C 13 27.539 . . . . . . . . . . . 5973 1 31 . 1 1 5 5 ARG HA H 1 4.338 . . . . . . . . . . . 5973 1 32 . 1 1 5 5 ARG HB2 H 1 1.906 . . . . . . . . . . . 5973 1 33 . 1 1 5 5 ARG HB3 H 1 1.711 . . . . . . . . . . . 5973 1 34 . 1 1 5 5 ARG HD2 H 1 3.291 . . . . . . . . . . . 5973 1 35 . 1 1 5 5 ARG HG2 H 1 1.433 . . . . . . . . . . . 5973 1 36 . 1 1 5 5 ARG H H 1 8.349 . . . . . . . . . . . 5973 1 37 . 1 1 5 5 ARG N N 15 121.303 . . . . . . . . . . . 5973 1 38 . 1 1 6 6 LYS C C 13 176.705 . . . . . . . . . . . 5973 1 39 . 1 1 6 6 LYS CA C 13 56.940 . . . . . . . . . . . 5973 1 40 . 1 1 6 6 LYS CB C 13 33.381 . . . . . . . . . . . 5973 1 41 . 1 1 6 6 LYS CD C 13 25.279 . . . . . . . . . . . 5973 1 42 . 1 1 6 6 LYS CE C 13 40.707 . . . . . . . . . . . 5973 1 43 . 1 1 6 6 LYS CG C 13 29.485 . . . . . . . . . . . 5973 1 44 . 1 1 6 6 LYS HA H 1 4.345 . . . . . . . . . . . 5973 1 45 . 1 1 6 6 LYS HB2 H 1 1.877 . . . . . . . . . . . 5973 1 46 . 1 1 6 6 LYS HB3 H 1 1.757 . . . . . . . . . . . 5973 1 47 . 1 1 6 6 LYS HE2 H 1 3.094 . . . . . . . . . . . 5973 1 48 . 1 1 6 6 LYS HG2 H 1 1.500 . . . . . . . . . . . 5973 1 49 . 1 1 6 6 LYS H H 1 8.267 . . . . . . . . . . . 5973 1 50 . 1 1 6 6 LYS N N 15 121.963 . . . . . . . . . . . 5973 1 51 . 1 1 7 7 LYS C C 13 176.460 . . . . . . . . . . . 5973 1 52 . 1 1 7 7 LYS CA C 13 56.744 . . . . . . . . . . . 5973 1 53 . 1 1 7 7 LYS CB C 13 33.529 . . . . . . . . . . . 5973 1 54 . 1 1 7 7 LYS CD C 13 29.479 . . . . . . . . . . . 5973 1 55 . 1 1 7 7 LYS CE C 13 40.806 . . . . . . . . . . . 5973 1 56 . 1 1 7 7 LYS CG C 13 25.116 . . . . . . . . . . . 5973 1 57 . 1 1 7 7 LYS HA H 1 4.347 . . . . . . . . . . . 5973 1 58 . 1 1 7 7 LYS HB2 H 1 1.875 . . . . . . . . . . . 5973 1 59 . 1 1 7 7 LYS HD2 H 1 1.770 . . . . . . . . . . . 5973 1 60 . 1 1 7 7 LYS HE2 H 1 3.068 . . . . . . . . . . . 5973 1 61 . 1 1 7 7 LYS HG2 H 1 1.530 . . . . . . . . . . . 5973 1 62 . 1 1 7 7 LYS H H 1 8.283 . . . . . . . . . . . 5973 1 63 . 1 1 7 7 LYS N N 15 122.618 . . . . . . . . . . . 5973 1 64 . 1 1 8 8 ALA C C 13 177.732 . . . . . . . . . . . 5973 1 65 . 1 1 8 8 ALA CA C 13 52.787 . . . . . . . . . . . 5973 1 66 . 1 1 8 8 ALA CB C 13 19.602 . . . . . . . . . . . 5973 1 67 . 1 1 8 8 ALA HA H 1 4.366 . . . . . . . . . . . 5973 1 68 . 1 1 8 8 ALA HB1 H 1 1.470 . . . . . . . . . . . 5973 1 69 . 1 1 8 8 ALA HB2 H 1 1.470 . . . . . . . . . . . 5973 1 70 . 1 1 8 8 ALA HB3 H 1 1.470 . . . . . . . . . . . 5973 1 71 . 1 1 8 8 ALA H H 1 8.341 . . . . . . . . . . . 5973 1 72 . 1 1 8 8 ALA N N 15 125.621 . . . . . . . . . . . 5973 1 73 . 1 1 9 9 ARG C C 13 176.169 . . . . . . . . . . . 5973 1 74 . 1 1 9 9 ARG CA C 13 56.535 . . . . . . . . . . . 5973 1 75 . 1 1 9 9 ARG CB C 13 31.362 . . . . . . . . . . . 5973 1 76 . 1 1 9 9 ARG CD C 13 43.735 . . . . . . . . . . . 5973 1 77 . 1 1 9 9 ARG CG C 13 27.453 . . . . . . . . . . . 5973 1 78 . 1 1 9 9 ARG HA H 1 4.397 . . . . . . . . . . . 5973 1 79 . 1 1 9 9 ARG HB2 H 1 1.885 . . . . . . . . . . . 5973 1 80 . 1 1 9 9 ARG HB3 H 1 1.716 . . . . . . . . . . . 5973 1 81 . 1 1 9 9 ARG HD2 H 1 3.260 . . . . . . . . . . . 5973 1 82 . 1 1 9 9 ARG H H 1 8.378 . . . . . . . . . . . 5973 1 83 . 1 1 9 9 ARG N N 15 120.463 . . . . . . . . . . . 5973 1 84 . 1 1 10 10 ASN C C 13 174.869 . . . . . . . . . . . 5973 1 85 . 1 1 10 10 ASN H H 1 8.614 . . . . . . . . . . . 5973 1 86 . 1 1 10 10 ASN N N 15 120.092 . . . . . . . . . . . 5973 1 87 . 1 1 12 12 PRO C C 13 175.717 . . . . . . . . . . . 5973 1 88 . 1 1 12 12 PRO CA C 13 63.919 . . . . . . . . . . . 5973 1 89 . 1 1 12 12 PRO CB C 13 32.176 . . . . . . . . . . . 5973 1 90 . 1 1 12 12 PRO CD C 13 51.232 . . . . . . . . . . . 5973 1 91 . 1 1 12 12 PRO CG C 13 27.399 . . . . . . . . . . . 5973 1 92 . 1 1 12 12 PRO HA H 1 4.450 . . . . . . . . . . . 5973 1 93 . 1 1 12 12 PRO HB2 H 1 1.923 . . . . . . . . . . . 5973 1 94 . 1 1 12 12 PRO HD2 H 1 3.861 . . . . . . . . . . . 5973 1 95 . 1 1 12 12 PRO HD3 H 1 3.722 . . . . . . . . . . . 5973 1 96 . 1 1 12 12 PRO HG2 H 1 2.244 . . . . . . . . . . . 5973 1 97 . 1 1 12 12 PRO HG3 H 1 2.006 . . . . . . . . . . . 5973 1 98 . 1 1 13 13 PHE C C 13 180.272 . . . . . . . . . . . 5973 1 99 . 1 1 13 13 PHE CA C 13 59.128 . . . . . . . . . . . 5973 1 100 . 1 1 13 13 PHE CB C 13 39.895 . . . . . . . . . . . 5973 1 101 . 1 1 13 13 PHE CD1 C 13 128.690 . . . . . . . . . . . 5973 1 102 . 1 1 13 13 PHE CE1 C 13 128.160 . . . . . . . . . . . 5973 1 103 . 1 1 13 13 PHE HA H 1 4.478 . . . . . . . . . . . 5973 1 104 . 1 1 13 13 PHE HB2 H 1 3.133 . . . . . . . . . . . 5973 1 105 . 1 1 13 13 PHE HD1 H 1 6.958 . . . . . . . . . . . 5973 1 106 . 1 1 13 13 PHE HE1 H 1 6.320 . . . . . . . . . . . 5973 1 107 . 1 1 13 13 PHE H H 1 7.573 . . . . . . . . . . . 5973 1 108 . 1 1 13 13 PHE HZ H 1 6.501 . . . . . . . . . . . 5973 1 109 . 1 1 13 13 PHE N N 15 124.006 . . . . . . . . . . . 5973 1 110 . 1 1 14 14 ASN C C 13 175.150 . . . . . . . . . . . 5973 1 111 . 1 1 14 14 ASN CA C 13 53.732 . . . . . . . . . . . 5973 1 112 . 1 1 14 14 ASN CB C 13 39.125 . . . . . . . . . . . 5973 1 113 . 1 1 14 14 ASN HA H 1 4.754 . . . . . . . . . . . 5973 1 114 . 1 1 14 14 ASN HB2 H 1 2.891 . . . . . . . . . . . 5973 1 115 . 1 1 14 14 ASN HD21 H 1 7.710 . . . . . . . . . . . 5973 1 116 . 1 1 14 14 ASN HD22 H 1 7.024 . . . . . . . . . . . 5973 1 117 . 1 1 14 14 ASN H H 1 8.303 . . . . . . . . . . . 5973 1 118 . 1 1 14 14 ASN N N 15 119.775 . . . . . . . . . . . 5973 1 119 . 1 1 14 14 ASN ND2 N 15 112.925 . . . . . . . . . . . 5973 1 120 . 1 1 15 15 MET C C 13 176.200 . . . . . . . . . . . 5973 1 121 . 1 1 15 15 MET CA C 13 56.381 . . . . . . . . . . . 5973 1 122 . 1 1 15 15 MET CB C 13 32.997 . . . . . . . . . . . 5973 1 123 . 1 1 15 15 MET HA H 1 4.455 . . . . . . . . . . . 5973 1 124 . 1 1 15 15 MET HB2 H 1 2.162 . . . . . . . . . . . 5973 1 125 . 1 1 15 15 MET HB3 H 1 2.048 . . . . . . . . . . . 5973 1 126 . 1 1 15 15 MET HG2 H 1 2.654 . . . . . . . . . . . 5973 1 127 . 1 1 15 15 MET HG3 H 1 2.599 . . . . . . . . . . . 5973 1 128 . 1 1 15 15 MET H H 1 8.233 . . . . . . . . . . . 5973 1 129 . 1 1 15 15 MET N N 15 120.641 . . . . . . . . . . . 5973 1 130 . 1 1 16 16 LEU C C 13 177.306 . . . . . . . . . . . 5973 1 131 . 1 1 16 16 LEU CA C 13 56.018 . . . . . . . . . . . 5973 1 132 . 1 1 16 16 LEU CB C 13 42.578 . . . . . . . . . . . 5973 1 133 . 1 1 16 16 LEU CD2 C 13 23.975 . . . . . . . . . . . 5973 1 134 . 1 1 16 16 LEU CG C 13 30.773 . . . . . . . . . . . 5973 1 135 . 1 1 16 16 LEU HA H 1 4.363 . . . . . . . . . . . 5973 1 136 . 1 1 16 16 LEU HB2 H 1 1.663 . . . . . . . . . . . 5973 1 137 . 1 1 16 16 LEU HD11 H 1 0.964 . . . . . . . . . . . 5973 1 138 . 1 1 16 16 LEU HD12 H 1 0.964 . . . . . . . . . . . 5973 1 139 . 1 1 16 16 LEU HD13 H 1 0.964 . . . . . . . . . . . 5973 1 140 . 1 1 16 16 LEU HG H 1 1.476 . . . . . . . . . . . 5973 1 141 . 1 1 16 16 LEU H H 1 8.108 . . . . . . . . . . . 5973 1 142 . 1 1 16 16 LEU N N 15 122.380 . . . . . . . . . . . 5973 1 143 . 1 1 17 17 LYS C C 13 176.289 . . . . . . . . . . . 5973 1 144 . 1 1 17 17 LYS CA C 13 57.073 . . . . . . . . . . . 5973 1 145 . 1 1 17 17 LYS CB C 13 31.521 . . . . . . . . . . . 5973 1 146 . 1 1 17 17 LYS HA H 1 4.341 . . . . . . . . . . . 5973 1 147 . 1 1 17 17 LYS HB2 H 1 1.826 . . . . . . . . . . . 5973 1 148 . 1 1 17 17 LYS HD2 H 1 1.718 . . . . . . . . . . . 5973 1 149 . 1 1 17 17 LYS H H 1 8.200 . . . . . . . . . . . 5973 1 150 . 1 1 17 17 LYS N N 15 121.939 . . . . . . . . . . . 5973 1 151 . 1 1 18 18 ARG CA C 13 56.727 . . . . . . . . . . . 5973 1 152 . 1 1 18 18 ARG CB C 13 31.228 . . . . . . . . . . . 5973 1 153 . 1 1 18 18 ARG CD C 13 43.742 . . . . . . . . . . . 5973 1 154 . 1 1 18 18 ARG CG C 13 27.515 . . . . . . . . . . . 5973 1 155 . 1 1 18 18 ARG HA H 1 4.396 . . . . . . . . . . . 5973 1 156 . 1 1 18 18 ARG HB2 H 1 1.877 . . . . . . . . . . . 5973 1 157 . 1 1 18 18 ARG HB3 H 1 1.707 . . . . . . . . . . . 5973 1 158 . 1 1 18 18 ARG HD2 H 1 3.262 . . . . . . . . . . . 5973 1 159 . 1 1 18 18 ARG H H 1 8.400 . . . . . . . . . . . 5973 1 160 . 1 1 18 18 ARG N N 15 121.700 . . . . . . . . . . . 5973 1 161 . 1 1 19 19 GLU CA C 13 56.767 . . . . . . . . . . . 5973 1 162 . 1 1 19 19 GLU CB C 13 30.965 . . . . . . . . . . . 5973 1 163 . 1 1 19 19 GLU CG C 13 27.532 . . . . . . . . . . . 5973 1 164 . 1 1 19 19 GLU HA H 1 4.822 . . . . . . . . . . . 5973 1 165 . 1 1 19 19 GLU HB2 H 1 2.343 . . . . . . . . . . . 5973 1 166 . 1 1 19 19 GLU HB3 H 1 2.129 . . . . . . . . . . . 5973 1 167 . 1 1 19 19 GLU HG2 H 1 3.510 . . . . . . . . . . . 5973 1 168 . 1 1 19 19 GLU H H 1 8.532 . . . . . . . . . . . 5973 1 169 . 1 1 19 19 GLU N N 15 122.557 . . . . . . . . . . . 5973 1 170 . 1 1 20 20 ARG C C 13 176.209 . . . . . . . . . . . 5973 1 171 . 1 1 20 20 ARG CA C 13 56.866 . . . . . . . . . . . 5973 1 172 . 1 1 20 20 ARG CB C 13 31.106 . . . . . . . . . . . 5973 1 173 . 1 1 20 20 ARG HA H 1 4.365 . . . . . . . . . . . 5973 1 174 . 1 1 20 20 ARG HB2 H 1 1.901 . . . . . . . . . . . 5973 1 175 . 1 1 20 20 ARG HB3 H 1 1.710 . . . . . . . . . . . 5973 1 176 . 1 1 20 20 ARG HD2 H 1 3.284 . . . . . . . . . . . 5973 1 177 . 1 1 20 20 ARG H H 1 8.472 . . . . . . . . . . . 5973 1 178 . 1 1 20 20 ARG N N 15 122.046 . . . . . . . . . . . 5973 1 179 . 1 1 21 21 ASN C C 13 174.870 . . . . . . . . . . . 5973 1 180 . 1 1 21 21 ASN CA C 13 53.748 . . . . . . . . . . . 5973 1 181 . 1 1 21 21 ASN CB C 13 39.250 . . . . . . . . . . . 5973 1 182 . 1 1 21 21 ASN HA H 1 4.736 . . . . . . . . . . . 5973 1 183 . 1 1 21 21 ASN HB2 H 1 2.818 . . . . . . . . . . . 5973 1 184 . 1 1 21 21 ASN HD21 H 1 7.666 . . . . . . . . . . . 5973 1 185 . 1 1 21 21 ASN HD22 H 1 6.959 . . . . . . . . . . . 5973 1 186 . 1 1 21 21 ASN H H 1 8.492 . . . . . . . . . . . 5973 1 187 . 1 1 21 21 ASN N N 15 119.285 . . . . . . . . . . . 5973 1 188 . 1 1 21 21 ASN ND2 N 15 112.306 . . . . . . . . . . . 5973 1 189 . 1 1 22 22 ARG C C 13 176.864 . . . . . . . . . . . 5973 1 190 . 1 1 22 22 ARG CA C 13 56.878 . . . . . . . . . . . 5973 1 191 . 1 1 22 22 ARG CB C 13 31.436 . . . . . . . . . . . 5973 1 192 . 1 1 22 22 ARG CD C 13 43.616 . . . . . . . . . . . 5973 1 193 . 1 1 22 22 ARG CG C 13 27.677 . . . . . . . . . . . 5973 1 194 . 1 1 22 22 ARG HA H 1 4.419 . . . . . . . . . . . 5973 1 195 . 1 1 22 22 ARG HB2 H 1 1.846 . . . . . . . . . . . 5973 1 196 . 1 1 22 22 ARG HB3 H 1 1.655 . . . . . . . . . . . 5973 1 197 . 1 1 22 22 ARG HD2 H 1 3.257 . . . . . . . . . . . 5973 1 198 . 1 1 22 22 ARG H H 1 8.241 . . . . . . . . . . . 5973 1 199 . 1 1 22 22 ARG N N 15 121.817 . . . . . . . . . . . 5973 1 200 . 1 1 23 23 VAL C C 13 175.368 . . . . . . . . . . . 5973 1 201 . 1 1 23 23 VAL CA C 13 60.411 . . . . . . . . . . . 5973 1 202 . 1 1 23 23 VAL CB C 13 35.609 . . . . . . . . . . . 5973 1 203 . 1 1 23 23 VAL CG1 C 13 22.149 . . . . . . . . . . . 5973 1 204 . 1 1 23 23 VAL CG2 C 13 19.477 . . . . . . . . . . . 5973 1 205 . 1 1 23 23 VAL HA H 1 4.850 . . . . . . . . . . . 5973 1 206 . 1 1 23 23 VAL HB H 1 2.288 . . . . . . . . . . . 5973 1 207 . 1 1 23 23 VAL HG11 H 1 0.921 . . . . . . . . . . . 5973 1 208 . 1 1 23 23 VAL HG12 H 1 0.921 . . . . . . . . . . . 5973 1 209 . 1 1 23 23 VAL HG13 H 1 0.921 . . . . . . . . . . . 5973 1 210 . 1 1 23 23 VAL HG21 H 1 0.904 . . . . . . . . . . . 5973 1 211 . 1 1 23 23 VAL HG22 H 1 0.904 . . . . . . . . . . . 5973 1 212 . 1 1 23 23 VAL HG23 H 1 0.904 . . . . . . . . . . . 5973 1 213 . 1 1 23 23 VAL H H 1 7.929 . . . . . . . . . . . 5973 1 214 . 1 1 23 23 VAL N N 15 116.054 . . . . . . . . . . . 5973 1 215 . 1 1 24 24 SER C C 13 174.968 . . . . . . . . . . . 5973 1 216 . 1 1 24 24 SER CA C 13 58.330 . . . . . . . . . . . 5973 1 217 . 1 1 24 24 SER CB C 13 65.670 . . . . . . . . . . . 5973 1 218 . 1 1 24 24 SER HA H 1 4.942 . . . . . . . . . . . 5973 1 219 . 1 1 24 24 SER HB2 H 1 3.901 . . . . . . . . . . . 5973 1 220 . 1 1 24 24 SER HB3 H 1 3.487 . . . . . . . . . . . 5973 1 221 . 1 1 24 24 SER H H 1 8.078 . . . . . . . . . . . 5973 1 222 . 1 1 24 24 SER N N 15 119.778 . . . . . . . . . . . 5973 1 223 . 1 1 25 25 THR CA C 13 62.176 . . . . . . . . . . . 5973 1 224 . 1 1 25 25 THR CB C 13 69.577 . . . . . . . . . . . 5973 1 225 . 1 1 25 25 THR CG2 C 13 21.981 . . . . . . . . . . . 5973 1 226 . 1 1 25 25 THR HA H 1 4.380 . . . . . . . . . . . 5973 1 227 . 1 1 25 25 THR HB H 1 4.232 . . . . . . . . . . . 5973 1 228 . 1 1 25 25 THR HG21 H 1 1.386 . . . . . . . . . . . 5973 1 229 . 1 1 25 25 THR HG22 H 1 1.386 . . . . . . . . . . . 5973 1 230 . 1 1 25 25 THR HG23 H 1 1.386 . . . . . . . . . . . 5973 1 231 . 1 1 25 25 THR H H 1 9.082 . . . . . . . . . . . 5973 1 232 . 1 1 25 25 THR N N 15 121.693 . . . . . . . . . . . 5973 1 233 . 1 1 26 26 VAL CA C 13 67.279 . . . . . . . . . . . 5973 1 234 . 1 1 26 26 VAL CB C 13 31.894 . . . . . . . . . . . 5973 1 235 . 1 1 26 26 VAL CG1 C 13 21.861 . . . . . . . . . . . 5973 1 236 . 1 1 26 26 VAL CG2 C 13 23.565 . . . . . . . . . . . 5973 1 237 . 1 1 26 26 VAL HA H 1 3.641 . . . . . . . . . . . 5973 1 238 . 1 1 26 26 VAL HB H 1 2.185 . . . . . . . . . . . 5973 1 239 . 1 1 26 26 VAL HG11 H 1 1.075 . . . . . . . . . . . 5973 1 240 . 1 1 26 26 VAL HG12 H 1 1.075 . . . . . . . . . . . 5973 1 241 . 1 1 26 26 VAL HG13 H 1 1.075 . . . . . . . . . . . 5973 1 242 . 1 1 26 26 VAL HG21 H 1 1.212 . . . . . . . . . . . 5973 1 243 . 1 1 26 26 VAL HG22 H 1 1.212 . . . . . . . . . . . 5973 1 244 . 1 1 26 26 VAL HG23 H 1 1.212 . . . . . . . . . . . 5973 1 245 . 1 1 26 26 VAL H H 1 8.470 . . . . . . . . . . . 5973 1 246 . 1 1 26 26 VAL N N 15 123.140 . . . . . . . . . . . 5973 1 247 . 1 1 27 27 GLN CA C 13 59.928 . . . . . . . . . . . 5973 1 248 . 1 1 27 27 GLN CB C 13 28.390 . . . . . . . . . . . 5973 1 249 . 1 1 27 27 GLN CG C 13 34.703 . . . . . . . . . . . 5973 1 250 . 1 1 27 27 GLN HA H 1 4.130 . . . . . . . . . . . 5973 1 251 . 1 1 27 27 GLN HB2 H 1 2.095 . . . . . . . . . . . 5973 1 252 . 1 1 27 27 GLN HB3 H 1 2.194 . . . . . . . . . . . 5973 1 253 . 1 1 27 27 GLN HE21 H 1 7.641 . . . . . . . . . . . 5973 1 254 . 1 1 27 27 GLN HE22 H 1 6.971 . . . . . . . . . . . 5973 1 255 . 1 1 27 27 GLN HG2 H 1 2.552 . . . . . . . . . . . 5973 1 256 . 1 1 27 27 GLN H H 1 8.660 . . . . . . . . . . . 5973 1 257 . 1 1 27 27 GLN N N 15 120.439 . . . . . . . . . . . 5973 1 258 . 1 1 27 27 GLN NE2 N 15 111.932 . . . . . . . . . . . 5973 1 259 . 1 1 28 28 GLN C C 13 179.585 . . . . . . . . . . . 5973 1 260 . 1 1 28 28 GLN CA C 13 59.026 . . . . . . . . . . . 5973 1 261 . 1 1 28 28 GLN CB C 13 28.864 . . . . . . . . . . . 5973 1 262 . 1 1 28 28 GLN CG C 13 34.814 . . . . . . . . . . . 5973 1 263 . 1 1 28 28 GLN HA H 1 4.048 . . . . . . . . . . . 5973 1 264 . 1 1 28 28 GLN HB2 H 1 2.482 . . . . . . . . . . . 5973 1 265 . 1 1 28 28 GLN HE21 H 1 7.256 . . . . . . . . . . . 5973 1 266 . 1 1 28 28 GLN HE22 H 1 6.996 . . . . . . . . . . . 5973 1 267 . 1 1 28 28 GLN HG2 H 1 2.572 . . . . . . . . . . . 5973 1 268 . 1 1 28 28 GLN H H 1 7.900 . . . . . . . . . . . 5973 1 269 . 1 1 28 28 GLN N N 15 118.559 . . . . . . . . . . . 5973 1 270 . 1 1 28 28 GLN NE2 N 15 111.267 . . . . . . . . . . . 5973 1 271 . 1 1 29 29 LEU C C 13 178.734 . . . . . . . . . . . 5973 1 272 . 1 1 29 29 LEU CD2 C 13 24.340 . . . . . . . . . . . 5973 1 273 . 1 1 29 29 LEU HA H 1 4.072 . . . . . . . . . . . 5973 1 274 . 1 1 29 29 LEU HD11 H 1 1.066 . . . . . . . . . . . 5973 1 275 . 1 1 29 29 LEU HD12 H 1 1.066 . . . . . . . . . . . 5973 1 276 . 1 1 29 29 LEU HD13 H 1 1.066 . . . . . . . . . . . 5973 1 277 . 1 1 29 29 LEU HD21 H 1 0.947 . . . . . . . . . . . 5973 1 278 . 1 1 29 29 LEU HD22 H 1 0.947 . . . . . . . . . . . 5973 1 279 . 1 1 29 29 LEU HD23 H 1 0.947 . . . . . . . . . . . 5973 1 280 . 1 1 29 29 LEU H H 1 7.977 . . . . . . . . . . . 5973 1 281 . 1 1 29 29 LEU N N 15 118.931 . . . . . . . . . . . 5973 1 282 . 1 1 30 30 THR C C 13 178.152 . . . . . . . . . . . 5973 1 283 . 1 1 30 30 THR CA C 13 66.936 . . . . . . . . . . . 5973 1 284 . 1 1 30 30 THR CB C 13 68.996 . . . . . . . . . . . 5973 1 285 . 1 1 30 30 THR CG2 C 13 21.848 . . . . . . . . . . . 5973 1 286 . 1 1 30 30 THR HA H 1 3.956 . . . . . . . . . . . 5973 1 287 . 1 1 30 30 THR HB H 1 4.311 . . . . . . . . . . . 5973 1 288 . 1 1 30 30 THR HG21 H 1 1.349 . . . . . . . . . . . 5973 1 289 . 1 1 30 30 THR HG22 H 1 1.349 . . . . . . . . . . . 5973 1 290 . 1 1 30 30 THR HG23 H 1 1.349 . . . . . . . . . . . 5973 1 291 . 1 1 30 30 THR H H 1 8.560 . . . . . . . . . . . 5973 1 292 . 1 1 30 30 THR N N 15 113.885 . . . . . . . . . . . 5973 1 293 . 1 1 31 31 LYS C C 13 177.014 . . . . . . . . . . . 5973 1 294 . 1 1 31 31 LYS CA C 13 58.246 . . . . . . . . . . . 5973 1 295 . 1 1 31 31 LYS CB C 13 32.708 . . . . . . . . . . . 5973 1 296 . 1 1 31 31 LYS HA H 1 4.133 . . . . . . . . . . . 5973 1 297 . 1 1 31 31 LYS HB2 H 1 1.957 . . . . . . . . . . . 5973 1 298 . 1 1 31 31 LYS HG2 H 1 1.763 . . . . . . . . . . . 5973 1 299 . 1 1 31 31 LYS HG3 H 1 1.602 . . . . . . . . . . . 5973 1 300 . 1 1 31 31 LYS H H 1 7.361 . . . . . . . . . . . 5973 1 301 . 1 1 31 31 LYS N N 15 119.053 . . . . . . . . . . . 5973 1 302 . 1 1 32 32 ARG C C 13 175.928 . . . . . . . . . . . 5973 1 303 . 1 1 32 32 ARG CA C 13 56.874 . . . . . . . . . . . 5973 1 304 . 1 1 32 32 ARG CB C 13 30.643 . . . . . . . . . . . 5973 1 305 . 1 1 32 32 ARG CD C 13 43.913 . . . . . . . . . . . 5973 1 306 . 1 1 32 32 ARG CG C 13 26.370 . . . . . . . . . . . 5973 1 307 . 1 1 32 32 ARG HA H 1 4.136 . . . . . . . . . . . 5973 1 308 . 1 1 32 32 ARG HB2 H 1 1.881 . . . . . . . . . . . 5973 1 309 . 1 1 32 32 ARG HB3 H 1 1.644 . . . . . . . . . . . 5973 1 310 . 1 1 32 32 ARG HD2 H 1 3.052 . . . . . . . . . . . 5973 1 311 . 1 1 32 32 ARG HE H 1 7.173 . . . . . . . . . . . 5973 1 312 . 1 1 32 32 ARG H H 1 7.532 . . . . . . . . . . . 5973 1 313 . 1 1 32 32 ARG N N 15 116.914 . . . . . . . . . . . 5973 1 314 . 1 1 32 32 ARG NE N 15 84.246 . . . . . . . . . . . 5973 1 315 . 1 1 33 33 PHE C C 13 174.828 . . . . . . . . . . . 5973 1 316 . 1 1 33 33 PHE CB C 13 40.481 . . . . . . . . . . . 5973 1 317 . 1 1 33 33 PHE CD1 C 13 131.775 . . . . . . . . . . . 5973 1 318 . 1 1 33 33 PHE CE1 C 13 131.733 . . . . . . . . . . . 5973 1 319 . 1 1 33 33 PHE CZ C 13 129.961 . . . . . . . . . . . 5973 1 320 . 1 1 33 33 PHE HA H 1 4.780 . . . . . . . . . . . 5973 1 321 . 1 1 33 33 PHE HB2 H 1 2.867 . . . . . . . . . . . 5973 1 322 . 1 1 33 33 PHE HB3 H 1 2.773 . . . . . . . . . . . 5973 1 323 . 1 1 33 33 PHE HD1 H 1 7.345 . . . . . . . . . . . 5973 1 324 . 1 1 33 33 PHE HE1 H 1 7.438 . . . . . . . . . . . 5973 1 325 . 1 1 33 33 PHE H H 1 8.695 . . . . . . . . . . . 5973 1 326 . 1 1 33 33 PHE HZ H 1 6.765 . . . . . . . . . . . 5973 1 327 . 1 1 33 33 PHE N N 15 120.520 . . . . . . . . . . . 5973 1 328 . 1 1 34 34 SER CA C 13 57.555 . . . . . . . . . . . 5973 1 329 . 1 1 34 34 SER CB C 13 65.869 . . . . . . . . . . . 5973 1 330 . 1 1 34 34 SER HA H 1 4.568 . . . . . . . . . . . 5973 1 331 . 1 1 34 34 SER HB2 H 1 4.323 . . . . . . . . . . . 5973 1 332 . 1 1 34 34 SER HB3 H 1 4.058 . . . . . . . . . . . 5973 1 333 . 1 1 34 34 SER H H 1 8.342 . . . . . . . . . . . 5973 1 334 . 1 1 34 34 SER N N 15 122.118 . . . . . . . . . . . 5973 1 335 . 1 1 36 36 GLY CA C 13 47.440 . . . . . . . . . . . 5973 1 336 . 1 1 36 36 GLY HA2 H 1 3.853 . . . . . . . . . . . 5973 1 337 . 1 1 36 36 GLY HA3 H 1 3.986 . . . . . . . . . . . 5973 1 338 . 1 1 36 36 GLY H H 1 8.413 . . . . . . . . . . . 5973 1 339 . 1 1 36 36 GLY N N 15 104.990 . . . . . . . . . . . 5973 1 340 . 1 1 37 37 MET CA C 13 58.508 . . . . . . . . . . . 5973 1 341 . 1 1 37 37 MET CB C 13 39.589 . . . . . . . . . . . 5973 1 342 . 1 1 37 37 MET CE C 13 17.658 . . . . . . . . . . . 5973 1 343 . 1 1 37 37 MET HA H 1 4.043 . . . . . . . . . . . 5973 1 344 . 1 1 37 37 MET HB2 H 1 3.193 . . . . . . . . . . . 5973 1 345 . 1 1 37 37 MET HB3 H 1 2.721 . . . . . . . . . . . 5973 1 346 . 1 1 37 37 MET HE1 H 1 2.010 . . . . . . . . . . . 5973 1 347 . 1 1 37 37 MET HE2 H 1 2.010 . . . . . . . . . . . 5973 1 348 . 1 1 37 37 MET HE3 H 1 2.010 . . . . . . . . . . . 5973 1 349 . 1 1 37 37 MET HG2 H 1 2.643 . . . . . . . . . . . 5973 1 350 . 1 1 37 37 MET H H 1 8.478 . . . . . . . . . . . 5973 1 351 . 1 1 37 37 MET N N 15 118.771 . . . . . . . . . . . 5973 1 352 . 1 1 38 38 LEU CA C 13 57.363 . . . . . . . . . . . 5973 1 353 . 1 1 38 38 LEU CB C 13 41.664 . . . . . . . . . . . 5973 1 354 . 1 1 38 38 LEU CD1 C 13 26.903 . . . . . . . . . . . 5973 1 355 . 1 1 38 38 LEU HA H 1 4.228 . . . . . . . . . . . 5973 1 356 . 1 1 38 38 LEU HB2 H 1 1.624 . . . . . . . . . . . 5973 1 357 . 1 1 38 38 LEU HD11 H 1 0.944 . . . . . . . . . . . 5973 1 358 . 1 1 38 38 LEU HD12 H 1 0.944 . . . . . . . . . . . 5973 1 359 . 1 1 38 38 LEU HD13 H 1 0.944 . . . . . . . . . . . 5973 1 360 . 1 1 38 38 LEU H H 1 8.424 . . . . . . . . . . . 5973 1 361 . 1 1 38 38 LEU N N 15 120.427 . . . . . . . . . . . 5973 1 362 . 1 1 39 39 GLN CA C 13 55.610 . . . . . . . . . . . 5973 1 363 . 1 1 39 39 GLN CB C 13 29.745 . . . . . . . . . . . 5973 1 364 . 1 1 39 39 GLN HA H 1 4.603 . . . . . . . . . . . 5973 1 365 . 1 1 39 39 GLN HB2 H 1 2.510 . . . . . . . . . . . 5973 1 366 . 1 1 39 39 GLN HG2 H 1 1.211 . . . . . . . . . . . 5973 1 367 . 1 1 39 39 GLN HG3 H 1 1.061 . . . . . . . . . . . 5973 1 368 . 1 1 39 39 GLN H H 1 7.604 . . . . . . . . . . . 5973 1 369 . 1 1 39 39 GLN N N 15 114.958 . . . . . . . . . . . 5973 1 370 . 1 1 40 40 GLY CA C 13 46.092 . . . . . . . . . . . 5973 1 371 . 1 1 40 40 GLY HA2 H 1 4.037 . . . . . . . . . . . 5973 1 372 . 1 1 40 40 GLY H H 1 8.124 . . . . . . . . . . . 5973 1 373 . 1 1 40 40 GLY N N 15 106.107 . . . . . . . . . . . 5973 1 374 . 1 1 41 41 ARG CA C 13 55.921 . . . . . . . . . . . 5973 1 375 . 1 1 41 41 ARG CB C 13 27.953 . . . . . . . . . . . 5973 1 376 . 1 1 41 41 ARG CD C 13 44.002 . . . . . . . . . . . 5973 1 377 . 1 1 41 41 ARG CG C 13 31.719 . . . . . . . . . . . 5973 1 378 . 1 1 41 41 ARG HA H 1 4.479 . . . . . . . . . . . 5973 1 379 . 1 1 41 41 ARG HB2 H 1 1.583 . . . . . . . . . . . 5973 1 380 . 1 1 41 41 ARG HD2 H 1 3.181 . . . . . . . . . . . 5973 1 381 . 1 1 41 41 ARG HG2 H 1 1.830 . . . . . . . . . . . 5973 1 382 . 1 1 41 41 ARG H H 1 7.895 . . . . . . . . . . . 5973 1 383 . 1 1 41 41 ARG N N 15 122.656 . . . . . . . . . . . 5973 1 384 . 1 1 42 42 GLY CA C 13 44.126 . . . . . . . . . . . 5973 1 385 . 1 1 42 42 GLY HA2 H 1 4.012 . . . . . . . . . . . 5973 1 386 . 1 1 42 42 GLY HA3 H 1 4.695 . . . . . . . . . . . 5973 1 387 . 1 1 42 42 GLY H H 1 8.705 . . . . . . . . . . . 5973 1 388 . 1 1 42 42 GLY N N 15 109.269 . . . . . . . . . . . 5973 1 389 . 1 1 43 43 PRO C C 13 178.213 . . . . . . . . . . . 5973 1 390 . 1 1 43 43 PRO CA C 13 63.111 . . . . . . . . . . . 5973 1 391 . 1 1 43 43 PRO CB C 13 32.712 . . . . . . . . . . . 5973 1 392 . 1 1 43 43 PRO CD C 13 50.022 . . . . . . . . . . . 5973 1 393 . 1 1 43 43 PRO CG C 13 28.006 . . . . . . . . . . . 5973 1 394 . 1 1 43 43 PRO HA H 1 4.638 . . . . . . . . . . . 5973 1 395 . 1 1 43 43 PRO HB2 H 1 2.633 . . . . . . . . . . . 5973 1 396 . 1 1 43 43 PRO HB3 H 1 2.065 . . . . . . . . . . . 5973 1 397 . 1 1 43 43 PRO HD2 H 1 3.617 . . . . . . . . . . . 5973 1 398 . 1 1 43 43 PRO HD3 H 1 3.855 . . . . . . . . . . . 5973 1 399 . 1 1 43 43 PRO HG2 H 1 2.213 . . . . . . . . . . . 5973 1 400 . 1 1 44 44 LEU C C 13 176.590 . . . . . . . . . . . 5973 1 401 . 1 1 44 44 LEU CA C 13 59.172 . . . . . . . . . . . 5973 1 402 . 1 1 44 44 LEU CB C 13 41.883 . . . . . . . . . . . 5973 1 403 . 1 1 44 44 LEU CD1 C 13 24.430 . . . . . . . . . . . 5973 1 404 . 1 1 44 44 LEU CD2 C 13 26.514 . . . . . . . . . . . 5973 1 405 . 1 1 44 44 LEU CG C 13 26.766 . . . . . . . . . . . 5973 1 406 . 1 1 44 44 LEU HA H 1 4.390 . . . . . . . . . . . 5973 1 407 . 1 1 44 44 LEU HB2 H 1 1.875 . . . . . . . . . . . 5973 1 408 . 1 1 44 44 LEU HD11 H 1 1.216 . . . . . . . . . . . 5973 1 409 . 1 1 44 44 LEU HD12 H 1 1.216 . . . . . . . . . . . 5973 1 410 . 1 1 44 44 LEU HD13 H 1 1.216 . . . . . . . . . . . 5973 1 411 . 1 1 44 44 LEU HD21 H 1 0.973 . . . . . . . . . . . 5973 1 412 . 1 1 44 44 LEU HD22 H 1 0.973 . . . . . . . . . . . 5973 1 413 . 1 1 44 44 LEU HD23 H 1 0.973 . . . . . . . . . . . 5973 1 414 . 1 1 44 44 LEU HG H 1 1.596 . . . . . . . . . . . 5973 1 415 . 1 1 44 44 LEU H H 1 8.743 . . . . . . . . . . . 5973 1 416 . 1 1 44 44 LEU N N 15 124.055 . . . . . . . . . . . 5973 1 417 . 1 1 45 45 LYS C C 13 177.221 . . . . . . . . . . . 5973 1 418 . 1 1 45 45 LYS CA C 13 61.700 . . . . . . . . . . . 5973 1 419 . 1 1 45 45 LYS CB C 13 32.717 . . . . . . . . . . . 5973 1 420 . 1 1 45 45 LYS CG C 13 25.741 . . . . . . . . . . . 5973 1 421 . 1 1 45 45 LYS HA H 1 3.896 . . . . . . . . . . . 5973 1 422 . 1 1 45 45 LYS HB2 H 1 1.913 . . . . . . . . . . . 5973 1 423 . 1 1 45 45 LYS HG2 H 1 1.579 . . . . . . . . . . . 5973 1 424 . 1 1 45 45 LYS H H 1 9.160 . . . . . . . . . . . 5973 1 425 . 1 1 45 45 LYS N N 15 117.583 . . . . . . . . . . . 5973 1 426 . 1 1 46 46 LEU C C 13 177.131 . . . . . . . . . . . 5973 1 427 . 1 1 46 46 LEU CA C 13 58.425 . . . . . . . . . . . 5973 1 428 . 1 1 46 46 LEU CB C 13 42.420 . . . . . . . . . . . 5973 1 429 . 1 1 46 46 LEU CD1 C 13 26.683 . . . . . . . . . . . 5973 1 430 . 1 1 46 46 LEU CD2 C 13 24.623 . . . . . . . . . . . 5973 1 431 . 1 1 46 46 LEU HA H 1 4.183 . . . . . . . . . . . 5973 1 432 . 1 1 46 46 LEU HB2 H 1 2.049 . . . . . . . . . . . 5973 1 433 . 1 1 46 46 LEU HB3 H 1 1.731 . . . . . . . . . . . 5973 1 434 . 1 1 46 46 LEU HD11 H 1 1.157 . . . . . . . . . . . 5973 1 435 . 1 1 46 46 LEU HD12 H 1 1.157 . . . . . . . . . . . 5973 1 436 . 1 1 46 46 LEU HD13 H 1 1.157 . . . . . . . . . . . 5973 1 437 . 1 1 46 46 LEU HD21 H 1 1.090 . . . . . . . . . . . 5973 1 438 . 1 1 46 46 LEU HD22 H 1 1.090 . . . . . . . . . . . 5973 1 439 . 1 1 46 46 LEU HD23 H 1 1.090 . . . . . . . . . . . 5973 1 440 . 1 1 46 46 LEU H H 1 6.651 . . . . . . . . . . . 5973 1 441 . 1 1 46 46 LEU N N 15 117.987 . . . . . . . . . . . 5973 1 442 . 1 1 47 47 PHE C C 13 178.901 . . . . . . . . . . . 5973 1 443 . 1 1 47 47 PHE CA C 13 61.445 . . . . . . . . . . . 5973 1 444 . 1 1 47 47 PHE CB C 13 39.452 . . . . . . . . . . . 5973 1 445 . 1 1 47 47 PHE CD1 C 13 132.535 . . . . . . . . . . . 5973 1 446 . 1 1 47 47 PHE CE1 C 13 130.846 . . . . . . . . . . . 5973 1 447 . 1 1 47 47 PHE CZ C 13 129.762 . . . . . . . . . . . 5973 1 448 . 1 1 47 47 PHE HA H 1 4.455 . . . . . . . . . . . 5973 1 449 . 1 1 47 47 PHE HB2 H 1 3.104 . . . . . . . . . . . 5973 1 450 . 1 1 47 47 PHE HD1 H 1 7.481 . . . . . . . . . . . 5973 1 451 . 1 1 47 47 PHE HE1 H 1 7.504 . . . . . . . . . . . 5973 1 452 . 1 1 47 47 PHE H H 1 8.187 . . . . . . . . . . . 5973 1 453 . 1 1 47 47 PHE HZ H 1 7.770 . . . . . . . . . . . 5973 1 454 . 1 1 47 47 PHE N N 15 118.733 . . . . . . . . . . . 5973 1 455 . 1 1 48 48 MET C C 13 176.996 . . . . . . . . . . . 5973 1 456 . 1 1 48 48 MET CA C 13 56.349 . . . . . . . . . . . 5973 1 457 . 1 1 48 48 MET CB C 13 30.785 . . . . . . . . . . . 5973 1 458 . 1 1 48 48 MET CE C 13 17.218 . . . . . . . . . . . 5973 1 459 . 1 1 48 48 MET CG C 13 32.991 . . . . . . . . . . . 5973 1 460 . 1 1 48 48 MET HA H 1 4.245 . . . . . . . . . . . 5973 1 461 . 1 1 48 48 MET HB2 H 1 2.377 . . . . . . . . . . . 5973 1 462 . 1 1 48 48 MET HE1 H 1 2.152 . . . . . . . . . . . 5973 1 463 . 1 1 48 48 MET HE2 H 1 2.152 . . . . . . . . . . . 5973 1 464 . 1 1 48 48 MET HE3 H 1 2.152 . . . . . . . . . . . 5973 1 465 . 1 1 48 48 MET HG2 H 1 3.082 . . . . . . . . . . . 5973 1 466 . 1 1 48 48 MET HG3 H 1 2.612 . . . . . . . . . . . 5973 1 467 . 1 1 48 48 MET H H 1 9.156 . . . . . . . . . . . 5973 1 468 . 1 1 48 48 MET N N 15 114.733 . . . . . . . . . . . 5973 1 469 . 1 1 49 49 ALA CA C 13 55.871 . . . . . . . . . . . 5973 1 470 . 1 1 49 49 ALA CB C 13 18.639 . . . . . . . . . . . 5973 1 471 . 1 1 49 49 ALA HA H 1 4.054 . . . . . . . . . . . 5973 1 472 . 1 1 49 49 ALA HB1 H 1 1.550 . . . . . . . . . . . 5973 1 473 . 1 1 49 49 ALA HB2 H 1 1.550 . . . . . . . . . . . 5973 1 474 . 1 1 49 49 ALA HB3 H 1 1.550 . . . . . . . . . . . 5973 1 475 . 1 1 49 49 ALA H H 1 8.467 . . . . . . . . . . . 5973 1 476 . 1 1 49 49 ALA N N 15 114.738 . . . . . . . . . . . 5973 1 477 . 1 1 50 50 LEU CA C 13 58.063 . . . . . . . . . . . 5973 1 478 . 1 1 50 50 LEU CB C 13 41.717 . . . . . . . . . . . 5973 1 479 . 1 1 50 50 LEU CD1 C 13 27.401 . . . . . . . . . . . 5973 1 480 . 1 1 50 50 LEU CD2 C 13 23.847 . . . . . . . . . . . 5973 1 481 . 1 1 50 50 LEU CG C 13 31.224 . . . . . . . . . . . 5973 1 482 . 1 1 50 50 LEU HA H 1 4.125 . . . . . . . . . . . 5973 1 483 . 1 1 50 50 LEU HB2 H 1 1.858 . . . . . . . . . . . 5973 1 484 . 1 1 50 50 LEU HB3 H 1 2.244 . . . . . . . . . . . 5973 1 485 . 1 1 50 50 LEU HD11 H 1 0.979 . . . . . . . . . . . 5973 1 486 . 1 1 50 50 LEU HD12 H 1 0.979 . . . . . . . . . . . 5973 1 487 . 1 1 50 50 LEU HD13 H 1 0.979 . . . . . . . . . . . 5973 1 488 . 1 1 50 50 LEU HD21 H 1 0.887 . . . . . . . . . . . 5973 1 489 . 1 1 50 50 LEU HD22 H 1 0.887 . . . . . . . . . . . 5973 1 490 . 1 1 50 50 LEU HD23 H 1 0.887 . . . . . . . . . . . 5973 1 491 . 1 1 50 50 LEU HG H 1 1.593 . . . . . . . . . . . 5973 1 492 . 1 1 50 50 LEU H H 1 7.526 . . . . . . . . . . . 5973 1 493 . 1 1 50 50 LEU N N 15 114.941 . . . . . . . . . . . 5973 1 494 . 1 1 51 51 VAL C C 13 178.177 . . . . . . . . . . . 5973 1 495 . 1 1 51 51 VAL CA C 13 67.740 . . . . . . . . . . . 5973 1 496 . 1 1 51 51 VAL CB C 13 31.134 . . . . . . . . . . . 5973 1 497 . 1 1 51 51 VAL CG1 C 13 23.849 . . . . . . . . . . . 5973 1 498 . 1 1 51 51 VAL CG2 C 13 21.762 . . . . . . . . . . . 5973 1 499 . 1 1 51 51 VAL HA H 1 3.199 . . . . . . . . . . . 5973 1 500 . 1 1 51 51 VAL HB H 1 1.788 . . . . . . . . . . . 5973 1 501 . 1 1 51 51 VAL HG11 H 1 0.391 . . . . . . . . . . . 5973 1 502 . 1 1 51 51 VAL HG12 H 1 0.391 . . . . . . . . . . . 5973 1 503 . 1 1 51 51 VAL HG13 H 1 0.391 . . . . . . . . . . . 5973 1 504 . 1 1 51 51 VAL HG21 H 1 0.347 . . . . . . . . . . . 5973 1 505 . 1 1 51 51 VAL HG22 H 1 0.347 . . . . . . . . . . . 5973 1 506 . 1 1 51 51 VAL HG23 H 1 0.347 . . . . . . . . . . . 5973 1 507 . 1 1 51 51 VAL H H 1 8.503 . . . . . . . . . . . 5973 1 508 . 1 1 51 51 VAL N N 15 118.935 . . . . . . . . . . . 5973 1 509 . 1 1 52 52 ALA CA C 13 55.707 . . . . . . . . . . . 5973 1 510 . 1 1 52 52 ALA CB C 13 17.644 . . . . . . . . . . . 5973 1 511 . 1 1 52 52 ALA HA H 1 3.468 . . . . . . . . . . . 5973 1 512 . 1 1 52 52 ALA HB1 H 1 1.137 . . . . . . . . . . . 5973 1 513 . 1 1 52 52 ALA HB2 H 1 1.137 . . . . . . . . . . . 5973 1 514 . 1 1 52 52 ALA HB3 H 1 1.137 . . . . . . . . . . . 5973 1 515 . 1 1 52 52 ALA H H 1 8.247 . . . . . . . . . . . 5973 1 516 . 1 1 52 52 ALA N N 15 120.556 . . . . . . . . . . . 5973 1 517 . 1 1 53 53 PHE CA C 13 62.315 . . . . . . . . . . . 5973 1 518 . 1 1 53 53 PHE CB C 13 40.143 . . . . . . . . . . . 5973 1 519 . 1 1 53 53 PHE CD1 C 13 129.583 . . . . . . . . . . . 5973 1 520 . 1 1 53 53 PHE CE1 C 13 131.371 . . . . . . . . . . . 5973 1 521 . 1 1 53 53 PHE CZ C 13 130.520 . . . . . . . . . . . 5973 1 522 . 1 1 53 53 PHE HA H 1 3.554 . . . . . . . . . . . 5973 1 523 . 1 1 53 53 PHE HB2 H 1 3.017 . . . . . . . . . . . 5973 1 524 . 1 1 53 53 PHE HB3 H 1 3.405 . . . . . . . . . . . 5973 1 525 . 1 1 53 53 PHE HD1 H 1 7.365 . . . . . . . . . . . 5973 1 526 . 1 1 53 53 PHE HE1 H 1 6.921 . . . . . . . . . . . 5973 1 527 . 1 1 53 53 PHE H H 1 8.149 . . . . . . . . . . . 5973 1 528 . 1 1 53 53 PHE HZ H 1 6.683 . . . . . . . . . . . 5973 1 529 . 1 1 53 53 PHE N N 15 117.147 . . . . . . . . . . . 5973 1 530 . 1 1 54 54 LEU CA C 13 58.320 . . . . . . . . . . . 5973 1 531 . 1 1 54 54 LEU CB C 13 39.810 . . . . . . . . . . . 5973 1 532 . 1 1 54 54 LEU CD1 C 13 26.625 . . . . . . . . . . . 5973 1 533 . 1 1 54 54 LEU CD2 C 13 22.660 . . . . . . . . . . . 5973 1 534 . 1 1 54 54 LEU HA H 1 3.731 . . . . . . . . . . . 5973 1 535 . 1 1 54 54 LEU HB2 H 1 1.812 . . . . . . . . . . . 5973 1 536 . 1 1 54 54 LEU HD11 H 1 0.842 . . . . . . . . . . . 5973 1 537 . 1 1 54 54 LEU HD12 H 1 0.842 . . . . . . . . . . . 5973 1 538 . 1 1 54 54 LEU HD13 H 1 0.842 . . . . . . . . . . . 5973 1 539 . 1 1 54 54 LEU HD21 H 1 0.872 . . . . . . . . . . . 5973 1 540 . 1 1 54 54 LEU HD22 H 1 0.872 . . . . . . . . . . . 5973 1 541 . 1 1 54 54 LEU HD23 H 1 0.872 . . . . . . . . . . . 5973 1 542 . 1 1 54 54 LEU HG H 1 2.210 . . . . . . . . . . . 5973 1 543 . 1 1 54 54 LEU H H 1 8.306 . . . . . . . . . . . 5973 1 544 . 1 1 54 54 LEU N N 15 115.340 . . . . . . . . . . . 5973 1 545 . 1 1 55 55 ARG C C 13 171.478 . . . . . . . . . . . 5973 1 546 . 1 1 55 55 ARG CA C 13 59.540 . . . . . . . . . . . 5973 1 547 . 1 1 55 55 ARG CB C 13 26.827 . . . . . . . . . . . 5973 1 548 . 1 1 55 55 ARG CD C 13 42.848 . . . . . . . . . . . 5973 1 549 . 1 1 55 55 ARG CG C 13 29.423 . . . . . . . . . . . 5973 1 550 . 1 1 55 55 ARG HA H 1 3.981 . . . . . . . . . . . 5973 1 551 . 1 1 55 55 ARG HB2 H 1 1.788 . . . . . . . . . . . 5973 1 552 . 1 1 55 55 ARG HB3 H 1 1.977 . . . . . . . . . . . 5973 1 553 . 1 1 55 55 ARG HD2 H 1 2.978 . . . . . . . . . . . 5973 1 554 . 1 1 55 55 ARG HE H 1 7.746 . . . . . . . . . . . 5973 1 555 . 1 1 55 55 ARG HG2 H 1 1.394 . . . . . . . . . . . 5973 1 556 . 1 1 55 55 ARG H H 1 8.212 . . . . . . . . . . . 5973 1 557 . 1 1 55 55 ARG NE N 15 84.830 . . . . . . . . . . . 5973 1 558 . 1 1 56 56 PHE C C 13 177.974 . . . . . . . . . . . 5973 1 559 . 1 1 56 56 PHE CA C 13 56.548 . . . . . . . . . . . 5973 1 560 . 1 1 56 56 PHE CB C 13 37.236 . . . . . . . . . . . 5973 1 561 . 1 1 56 56 PHE CD1 C 13 131.393 . . . . . . . . . . . 5973 1 562 . 1 1 56 56 PHE CE1 C 13 130.054 . . . . . . . . . . . 5973 1 563 . 1 1 56 56 PHE CZ C 13 130.633 . . . . . . . . . . . 5973 1 564 . 1 1 56 56 PHE HA H 1 4.495 . . . . . . . . . . . 5973 1 565 . 1 1 56 56 PHE HB2 H 1 3.172 . . . . . . . . . . . 5973 1 566 . 1 1 56 56 PHE HB3 H 1 2.654 . . . . . . . . . . . 5973 1 567 . 1 1 56 56 PHE HD1 H 1 6.881 . . . . . . . . . . . 5973 1 568 . 1 1 56 56 PHE HE1 H 1 6.482 . . . . . . . . . . . 5973 1 569 . 1 1 56 56 PHE H H 1 9.242 . . . . . . . . . . . 5973 1 570 . 1 1 56 56 PHE HZ H 1 7.071 . . . . . . . . . . . 5973 1 571 . 1 1 56 56 PHE N N 15 121.018 . . . . . . . . . . . 5973 1 572 . 1 1 57 57 LEU C C 13 176.335 . . . . . . . . . . . 5973 1 573 . 1 1 57 57 LEU CA C 13 53.957 . . . . . . . . . . . 5973 1 574 . 1 1 57 57 LEU CB C 13 43.003 . . . . . . . . . . . 5973 1 575 . 1 1 57 57 LEU CD1 C 13 22.127 . . . . . . . . . . . 5973 1 576 . 1 1 57 57 LEU CD2 C 13 26.628 . . . . . . . . . . . 5973 1 577 . 1 1 57 57 LEU CG C 13 26.707 . . . . . . . . . . . 5973 1 578 . 1 1 57 57 LEU HA H 1 4.388 . . . . . . . . . . . 5973 1 579 . 1 1 57 57 LEU HB2 H 1 1.539 . . . . . . . . . . . 5973 1 580 . 1 1 57 57 LEU HB3 H 1 1.361 . . . . . . . . . . . 5973 1 581 . 1 1 57 57 LEU HD11 H 1 0.746 . . . . . . . . . . . 5973 1 582 . 1 1 57 57 LEU HD12 H 1 0.746 . . . . . . . . . . . 5973 1 583 . 1 1 57 57 LEU HD13 H 1 0.746 . . . . . . . . . . . 5973 1 584 . 1 1 57 57 LEU HD21 H 1 0.234 . . . . . . . . . . . 5973 1 585 . 1 1 57 57 LEU HD22 H 1 0.234 . . . . . . . . . . . 5973 1 586 . 1 1 57 57 LEU HD23 H 1 0.234 . . . . . . . . . . . 5973 1 587 . 1 1 57 57 LEU HG H 1 1.337 . . . . . . . . . . . 5973 1 588 . 1 1 57 57 LEU H H 1 6.950 . . . . . . . . . . . 5973 1 589 . 1 1 57 57 LEU N N 15 115.699 . . . . . . . . . . . 5973 1 590 . 1 1 58 58 THR C C 13 173.629 . . . . . . . . . . . 5973 1 591 . 1 1 58 58 THR CA C 13 62.621 . . . . . . . . . . . 5973 1 592 . 1 1 58 58 THR CB C 13 68.381 . . . . . . . . . . . 5973 1 593 . 1 1 58 58 THR CG2 C 13 23.330 . . . . . . . . . . . 5973 1 594 . 1 1 58 58 THR HA H 1 3.765 . . . . . . . . . . . 5973 1 595 . 1 1 58 58 THR HB H 1 4.483 . . . . . . . . . . . 5973 1 596 . 1 1 58 58 THR HG21 H 1 1.312 . . . . . . . . . . . 5973 1 597 . 1 1 58 58 THR HG22 H 1 1.312 . . . . . . . . . . . 5973 1 598 . 1 1 58 58 THR HG23 H 1 1.312 . . . . . . . . . . . 5973 1 599 . 1 1 58 58 THR H H 1 7.867 . . . . . . . . . . . 5973 1 600 . 1 1 58 58 THR N N 15 116.195 . . . . . . . . . . . 5973 1 601 . 1 1 59 59 ILE C C 13 179.538 . . . . . . . . . . . 5973 1 602 . 1 1 59 59 ILE CA C 13 58.359 . . . . . . . . . . . 5973 1 603 . 1 1 59 59 ILE CB C 13 40.341 . . . . . . . . . . . 5973 1 604 . 1 1 59 59 ILE CD1 C 13 14.236 . . . . . . . . . . . 5973 1 605 . 1 1 59 59 ILE CG2 C 13 17.314 . . . . . . . . . . . 5973 1 606 . 1 1 59 59 ILE HA H 1 4.369 . . . . . . . . . . . 5973 1 607 . 1 1 59 59 ILE HB H 1 1.549 . . . . . . . . . . . 5973 1 608 . 1 1 59 59 ILE HD11 H 1 0.683 . . . . . . . . . . . 5973 1 609 . 1 1 59 59 ILE HD12 H 1 0.683 . . . . . . . . . . . 5973 1 610 . 1 1 59 59 ILE HD13 H 1 0.683 . . . . . . . . . . . 5973 1 611 . 1 1 59 59 ILE HG21 H 1 0.840 . . . . . . . . . . . 5973 1 612 . 1 1 59 59 ILE HG22 H 1 0.840 . . . . . . . . . . . 5973 1 613 . 1 1 59 59 ILE HG23 H 1 0.840 . . . . . . . . . . . 5973 1 614 . 1 1 59 59 ILE H H 1 8.281 . . . . . . . . . . . 5973 1 615 . 1 1 59 59 ILE N N 15 123.402 . . . . . . . . . . . 5973 1 616 . 1 1 60 60 PRO CA C 13 61.599 . . . . . . . . . . . 5973 1 617 . 1 1 60 60 PRO CD C 13 51.424 . . . . . . . . . . . 5973 1 618 . 1 1 60 60 PRO HA H 1 4.580 . . . . . . . . . . . 5973 1 619 . 1 1 60 60 PRO HB2 H 1 2.263 . . . . . . . . . . . 5973 1 620 . 1 1 60 60 PRO HD2 H 1 3.491 . . . . . . . . . . . 5973 1 621 . 1 1 60 60 PRO HD3 H 1 4.036 . . . . . . . . . . . 5973 1 622 . 1 1 60 60 PRO HG2 H 1 1.876 . . . . . . . . . . . 5973 1 623 . 1 1 60 60 PRO HG3 H 1 2.011 . . . . . . . . . . . 5973 1 624 . 1 1 61 61 PRO CA C 13 62.004 . . . . . . . . . . . 5973 1 625 . 1 1 61 61 PRO CB C 13 32.434 . . . . . . . . . . . 5973 1 626 . 1 1 61 61 PRO CD C 13 50.029 . . . . . . . . . . . 5973 1 627 . 1 1 61 61 PRO CG C 13 27.530 . . . . . . . . . . . 5973 1 628 . 1 1 61 61 PRO HA H 1 4.515 . . . . . . . . . . . 5973 1 629 . 1 1 61 61 PRO HB2 H 1 2.153 . . . . . . . . . . . 5973 1 630 . 1 1 61 61 PRO HD2 H 1 3.734 . . . . . . . . . . . 5973 1 631 . 1 1 61 61 PRO HD3 H 1 3.886 . . . . . . . . . . . 5973 1 632 . 1 1 61 61 PRO HG2 H 1 1.965 . . . . . . . . . . . 5973 1 633 . 1 1 62 62 THR C C 13 176.076 . . . . . . . . . . . 5973 1 634 . 1 1 62 62 THR CA C 13 59.950 . . . . . . . . . . . 5973 1 635 . 1 1 62 62 THR CB C 13 71.848 . . . . . . . . . . . 5973 1 636 . 1 1 62 62 THR CG2 C 13 22.365 . . . . . . . . . . . 5973 1 637 . 1 1 62 62 THR HA H 1 5.108 . . . . . . . . . . . 5973 1 638 . 1 1 62 62 THR HB H 1 4.908 . . . . . . . . . . . 5973 1 639 . 1 1 62 62 THR HG21 H 1 1.254 . . . . . . . . . . . 5973 1 640 . 1 1 62 62 THR HG22 H 1 1.254 . . . . . . . . . . . 5973 1 641 . 1 1 62 62 THR HG23 H 1 1.254 . . . . . . . . . . . 5973 1 642 . 1 1 62 62 THR H H 1 6.108 . . . . . . . . . . . 5973 1 643 . 1 1 62 62 THR N N 15 104.829 . . . . . . . . . . . 5973 1 644 . 1 1 63 63 ALA C C 13 181.216 . . . . . . . . . . . 5973 1 645 . 1 1 63 63 ALA CA C 13 55.830 . . . . . . . . . . . 5973 1 646 . 1 1 63 63 ALA CB C 13 18.309 . . . . . . . . . . . 5973 1 647 . 1 1 63 63 ALA HA H 1 4.170 . . . . . . . . . . . 5973 1 648 . 1 1 63 63 ALA HB1 H 1 1.612 . . . . . . . . . . . 5973 1 649 . 1 1 63 63 ALA HB2 H 1 1.612 . . . . . . . . . . . 5973 1 650 . 1 1 63 63 ALA HB3 H 1 1.612 . . . . . . . . . . . 5973 1 651 . 1 1 63 63 ALA H H 1 9.399 . . . . . . . . . . . 5973 1 652 . 1 1 63 63 ALA N N 15 123.635 . . . . . . . . . . . 5973 1 653 . 1 1 64 64 GLY C C 13 181.228 . . . . . . . . . . . 5973 1 654 . 1 1 64 64 GLY CA C 13 47.329 . . . . . . . . . . . 5973 1 655 . 1 1 64 64 GLY HA2 H 1 3.926 . . . . . . . . . . . 5973 1 656 . 1 1 64 64 GLY HA3 H 1 4.094 . . . . . . . . . . . 5973 1 657 . 1 1 64 64 GLY H H 1 9.140 . . . . . . . . . . . 5973 1 658 . 1 1 64 64 GLY N N 15 106.728 . . . . . . . . . . . 5973 1 659 . 1 1 65 65 ILE C C 13 177.276 . . . . . . . . . . . 5973 1 660 . 1 1 65 65 ILE CA C 13 66.025 . . . . . . . . . . . 5973 1 661 . 1 1 65 65 ILE CB C 13 38.559 . . . . . . . . . . . 5973 1 662 . 1 1 65 65 ILE CD1 C 13 15.562 . . . . . . . . . . . 5973 1 663 . 1 1 65 65 ILE CG2 C 13 17.837 . . . . . . . . . . . 5973 1 664 . 1 1 65 65 ILE HA H 1 4.092 . . . . . . . . . . . 5973 1 665 . 1 1 65 65 ILE HB H 1 1.996 . . . . . . . . . . . 5973 1 666 . 1 1 65 65 ILE HD11 H 1 1.085 . . . . . . . . . . . 5973 1 667 . 1 1 65 65 ILE HD12 H 1 1.085 . . . . . . . . . . . 5973 1 668 . 1 1 65 65 ILE HD13 H 1 1.085 . . . . . . . . . . . 5973 1 669 . 1 1 65 65 ILE HG12 H 1 1.721 . . . . . . . . . . . 5973 1 670 . 1 1 65 65 ILE HG21 H 1 1.026 . . . . . . . . . . . 5973 1 671 . 1 1 65 65 ILE HG22 H 1 1.026 . . . . . . . . . . . 5973 1 672 . 1 1 65 65 ILE HG23 H 1 1.026 . . . . . . . . . . . 5973 1 673 . 1 1 65 65 ILE H H 1 7.420 . . . . . . . . . . . 5973 1 674 . 1 1 65 65 ILE N N 15 122.215 . . . . . . . . . . . 5973 1 675 . 1 1 66 66 LEU C C 13 179.881 . . . . . . . . . . . 5973 1 676 . 1 1 66 66 LEU CA C 13 58.475 . . . . . . . . . . . 5973 1 677 . 1 1 66 66 LEU CB C 13 42.213 . . . . . . . . . . . 5973 1 678 . 1 1 66 66 LEU CD1 C 13 24.934 . . . . . . . . . . . 5973 1 679 . 1 1 66 66 LEU CD2 C 13 24.149 . . . . . . . . . . . 5973 1 680 . 1 1 66 66 LEU CG C 13 25.353 . . . . . . . . . . . 5973 1 681 . 1 1 66 66 LEU HA H 1 4.207 . . . . . . . . . . . 5973 1 682 . 1 1 66 66 LEU HB2 H 1 1.815 . . . . . . . . . . . 5973 1 683 . 1 1 66 66 LEU HD11 H 1 1.008 . . . . . . . . . . . 5973 1 684 . 1 1 66 66 LEU HD12 H 1 1.008 . . . . . . . . . . . 5973 1 685 . 1 1 66 66 LEU HD13 H 1 1.008 . . . . . . . . . . . 5973 1 686 . 1 1 66 66 LEU HD21 H 1 0.949 . . . . . . . . . . . 5973 1 687 . 1 1 66 66 LEU HD22 H 1 0.949 . . . . . . . . . . . 5973 1 688 . 1 1 66 66 LEU HD23 H 1 0.949 . . . . . . . . . . . 5973 1 689 . 1 1 66 66 LEU H H 1 8.324 . . . . . . . . . . . 5973 1 690 . 1 1 66 66 LEU N N 15 120.429 . . . . . . . . . . . 5973 1 691 . 1 1 67 67 LYS C C 13 179.623 . . . . . . . . . . . 5973 1 692 . 1 1 67 67 LYS CA C 13 59.619 . . . . . . . . . . . 5973 1 693 . 1 1 67 67 LYS CB C 13 32.672 . . . . . . . . . . . 5973 1 694 . 1 1 67 67 LYS CD C 13 25.155 . . . . . . . . . . . 5973 1 695 . 1 1 67 67 LYS CG C 13 29.865 . . . . . . . . . . . 5973 1 696 . 1 1 67 67 LYS HA H 1 4.181 . . . . . . . . . . . 5973 1 697 . 1 1 67 67 LYS HB2 H 1 2.028 . . . . . . . . . . . 5973 1 698 . 1 1 67 67 LYS HD2 H 1 1.794 . . . . . . . . . . . 5973 1 699 . 1 1 67 67 LYS HE2 H 1 3.067 . . . . . . . . . . . 5973 1 700 . 1 1 67 67 LYS HG2 H 1 1.572 . . . . . . . . . . . 5973 1 701 . 1 1 67 67 LYS H H 1 8.396 . . . . . . . . . . . 5973 1 702 . 1 1 67 67 LYS N N 15 119.737 . . . . . . . . . . . 5973 1 703 . 1 1 68 68 ARG C C 13 178.564 . . . . . . . . . . . 5973 1 704 . 1 1 68 68 ARG CA C 13 58.735 . . . . . . . . . . . 5973 1 705 . 1 1 68 68 ARG CB C 13 29.517 . . . . . . . . . . . 5973 1 706 . 1 1 68 68 ARG CD C 13 43.561 . . . . . . . . . . . 5973 1 707 . 1 1 68 68 ARG CG C 13 26.385 . . . . . . . . . . . 5973 1 708 . 1 1 68 68 ARG HA H 1 4.195 . . . . . . . . . . . 5973 1 709 . 1 1 68 68 ARG HB2 H 1 1.804 . . . . . . . . . . . 5973 1 710 . 1 1 68 68 ARG HB3 H 1 1.683 . . . . . . . . . . . 5973 1 711 . 1 1 68 68 ARG HD2 H 1 1.977 . . . . . . . . . . . 5973 1 712 . 1 1 68 68 ARG HD3 H 1 2.786 . . . . . . . . . . . 5973 1 713 . 1 1 68 68 ARG HE H 1 6.412 . . . . . . . . . . . 5973 1 714 . 1 1 68 68 ARG HG2 H 1 1.118 . . . . . . . . . . . 5973 1 715 . 1 1 68 68 ARG HG3 H 1 0.706 . . . . . . . . . . . 5973 1 716 . 1 1 68 68 ARG HH11 H 1 6.215 . . . . . . . . . . . 5973 1 717 . 1 1 68 68 ARG H H 1 7.634 . . . . . . . . . . . 5973 1 718 . 1 1 68 68 ARG N N 15 120.121 . . . . . . . . . . . 5973 1 719 . 1 1 68 68 ARG NE N 15 86.166 . . . . . . . . . . . 5973 1 720 . 1 1 69 69 TRP C C 13 176.922 . . . . . . . . . . . 5973 1 721 . 1 1 69 69 TRP CA C 13 60.188 . . . . . . . . . . . 5973 1 722 . 1 1 69 69 TRP CB C 13 30.142 . . . . . . . . . . . 5973 1 723 . 1 1 69 69 TRP CD1 C 13 127.737 . . . . . . . . . . . 5973 1 724 . 1 1 69 69 TRP CE3 C 13 121.221 . . . . . . . . . . . 5973 1 725 . 1 1 69 69 TRP CH2 C 13 122.981 . . . . . . . . . . . 5973 1 726 . 1 1 69 69 TRP CZ2 C 13 114.142 . . . . . . . . . . . 5973 1 727 . 1 1 69 69 TRP CZ3 C 13 121.209 . . . . . . . . . . . 5973 1 728 . 1 1 69 69 TRP HA H 1 4.700 . . . . . . . . . . . 5973 1 729 . 1 1 69 69 TRP HB2 H 1 3.827 . . . . . . . . . . . 5973 1 730 . 1 1 69 69 TRP HB3 H 1 3.681 . . . . . . . . . . . 5973 1 731 . 1 1 69 69 TRP HD1 H 1 7.394 . . . . . . . . . . . 5973 1 732 . 1 1 69 69 TRP HE1 H 1 10.235 . . . . . . . . . . . 5973 1 733 . 1 1 69 69 TRP HE3 H 1 7.743 . . . . . . . . . . . 5973 1 734 . 1 1 69 69 TRP HH2 H 1 6.931 . . . . . . . . . . . 5973 1 735 . 1 1 69 69 TRP H H 1 9.130 . . . . . . . . . . . 5973 1 736 . 1 1 69 69 TRP HZ2 H 1 7.382 . . . . . . . . . . . 5973 1 737 . 1 1 69 69 TRP HZ3 H 1 6.950 . . . . . . . . . . . 5973 1 738 . 1 1 69 69 TRP N N 15 120.879 . . . . . . . . . . . 5973 1 739 . 1 1 69 69 TRP NE1 N 15 129.510 . . . . . . . . . . . 5973 1 740 . 1 1 70 70 GLY C C 13 176.888 . . . . . . . . . . . 5973 1 741 . 1 1 70 70 GLY CA C 13 46.464 . . . . . . . . . . . 5973 1 742 . 1 1 70 70 GLY HA2 H 1 4.108 . . . . . . . . . . . 5973 1 743 . 1 1 70 70 GLY HA3 H 1 4.054 . . . . . . . . . . . 5973 1 744 . 1 1 70 70 GLY H H 1 7.729 . . . . . . . . . . . 5973 1 745 . 1 1 70 70 GLY N N 15 102.089 . . . . . . . . . . . 5973 1 746 . 1 1 71 71 THR C C 13 175.411 . . . . . . . . . . . 5973 1 747 . 1 1 71 71 THR CA C 13 62.099 . . . . . . . . . . . 5973 1 748 . 1 1 71 71 THR CB C 13 70.769 . . . . . . . . . . . 5973 1 749 . 1 1 71 71 THR CG2 C 13 21.578 . . . . . . . . . . . 5973 1 750 . 1 1 71 71 THR HA H 1 4.604 . . . . . . . . . . . 5973 1 751 . 1 1 71 71 THR HB H 1 4.492 . . . . . . . . . . . 5973 1 752 . 1 1 71 71 THR HG21 H 1 1.267 . . . . . . . . . . . 5973 1 753 . 1 1 71 71 THR HG22 H 1 1.267 . . . . . . . . . . . 5973 1 754 . 1 1 71 71 THR HG23 H 1 1.267 . . . . . . . . . . . 5973 1 755 . 1 1 71 71 THR H H 1 7.878 . . . . . . . . . . . 5973 1 756 . 1 1 71 71 THR N N 15 109.040 . . . . . . . . . . . 5973 1 757 . 1 1 72 72 ILE C C 13 175.092 . . . . . . . . . . . 5973 1 758 . 1 1 72 72 ILE CA C 13 61.883 . . . . . . . . . . . 5973 1 759 . 1 1 72 72 ILE CB C 13 39.215 . . . . . . . . . . . 5973 1 760 . 1 1 72 72 ILE CD1 C 13 15.254 . . . . . . . . . . . 5973 1 761 . 1 1 72 72 ILE CG1 C 13 25.262 . . . . . . . . . . . 5973 1 762 . 1 1 72 72 ILE CG2 C 13 19.228 . . . . . . . . . . . 5973 1 763 . 1 1 72 72 ILE HA H 1 4.234 . . . . . . . . . . . 5973 1 764 . 1 1 72 72 ILE HB H 1 1.884 . . . . . . . . . . . 5973 1 765 . 1 1 72 72 ILE HD11 H 1 0.755 . . . . . . . . . . . 5973 1 766 . 1 1 72 72 ILE HD12 H 1 0.755 . . . . . . . . . . . 5973 1 767 . 1 1 72 72 ILE HD13 H 1 0.755 . . . . . . . . . . . 5973 1 768 . 1 1 72 72 ILE HG12 H 1 1.325 . . . . . . . . . . . 5973 1 769 . 1 1 72 72 ILE HG13 H 1 1.189 . . . . . . . . . . . 5973 1 770 . 1 1 72 72 ILE HG21 H 1 1.049 . . . . . . . . . . . 5973 1 771 . 1 1 72 72 ILE HG22 H 1 1.049 . . . . . . . . . . . 5973 1 772 . 1 1 72 72 ILE HG23 H 1 1.049 . . . . . . . . . . . 5973 1 773 . 1 1 72 72 ILE H H 1 7.075 . . . . . . . . . . . 5973 1 774 . 1 1 72 72 ILE N N 15 118.614 . . . . . . . . . . . 5973 1 775 . 1 1 73 73 LYS C C 13 177.759 . . . . . . . . . . . 5973 1 776 . 1 1 73 73 LYS CA C 13 56.566 . . . . . . . . . . . 5973 1 777 . 1 1 73 73 LYS CB C 13 32.570 . . . . . . . . . . . 5973 1 778 . 1 1 73 73 LYS CD C 13 29.527 . . . . . . . . . . . 5973 1 779 . 1 1 73 73 LYS CG C 13 25.783 . . . . . . . . . . . 5973 1 780 . 1 1 73 73 LYS HA H 1 4.366 . . . . . . . . . . . 5973 1 781 . 1 1 73 73 LYS HB2 H 1 2.002 . . . . . . . . . . . 5973 1 782 . 1 1 73 73 LYS HB3 H 1 1.854 . . . . . . . . . . . 5973 1 783 . 1 1 73 73 LYS HG2 H 1 1.609 . . . . . . . . . . . 5973 1 784 . 1 1 73 73 LYS H H 1 8.558 . . . . . . . . . . . 5973 1 785 . 1 1 73 73 LYS N N 15 124.553 . . . . . . . . . . . 5973 1 786 . 1 1 74 74 LYS C C 13 177.621 . . . . . . . . . . . 5973 1 787 . 1 1 74 74 LYS CA C 13 61.165 . . . . . . . . . . . 5973 1 788 . 1 1 74 74 LYS CB C 13 32.562 . . . . . . . . . . . 5973 1 789 . 1 1 74 74 LYS CD C 13 30.135 . . . . . . . . . . . 5973 1 790 . 1 1 74 74 LYS CE C 13 42.560 . . . . . . . . . . . 5973 1 791 . 1 1 74 74 LYS CG C 13 24.883 . . . . . . . . . . . 5973 1 792 . 1 1 74 74 LYS HA H 1 3.775 . . . . . . . . . . . 5973 1 793 . 1 1 74 74 LYS HB2 H 1 1.860 . . . . . . . . . . . 5973 1 794 . 1 1 74 74 LYS HB3 H 1 1.783 . . . . . . . . . . . 5973 1 795 . 1 1 74 74 LYS HD2 H 1 1.649 . . . . . . . . . . . 5973 1 796 . 1 1 74 74 LYS HD3 H 1 1.576 . . . . . . . . . . . 5973 1 797 . 1 1 74 74 LYS HE2 H 1 3.165 . . . . . . . . . . . 5973 1 798 . 1 1 74 74 LYS HE3 H 1 2.908 . . . . . . . . . . . 5973 1 799 . 1 1 74 74 LYS HG2 H 1 1.340 . . . . . . . . . . . 5973 1 800 . 1 1 74 74 LYS H H 1 8.921 . . . . . . . . . . . 5973 1 801 . 1 1 74 74 LYS N N 15 127.769 . . . . . . . . . . . 5973 1 802 . 1 1 75 75 SER C C 13 177.623 . . . . . . . . . . . 5973 1 803 . 1 1 75 75 SER CA C 13 61.919 . . . . . . . . . . . 5973 1 804 . 1 1 75 75 SER CB C 13 61.801 . . . . . . . . . . . 5973 1 805 . 1 1 75 75 SER HA H 1 4.090 . . . . . . . . . . . 5973 1 806 . 1 1 75 75 SER HB2 H 1 3.977 . . . . . . . . . . . 5973 1 807 . 1 1 75 75 SER H H 1 8.719 . . . . . . . . . . . 5973 1 808 . 1 1 75 75 SER N N 15 113.561 . . . . . . . . . . . 5973 1 809 . 1 1 76 76 LYS C C 13 178.765 . . . . . . . . . . . 5973 1 810 . 1 1 76 76 LYS CA C 13 58.475 . . . . . . . . . . . 5973 1 811 . 1 1 76 76 LYS CB C 13 33.119 . . . . . . . . . . . 5973 1 812 . 1 1 76 76 LYS CD C 13 29.544 . . . . . . . . . . . 5973 1 813 . 1 1 76 76 LYS CG C 13 25.526 . . . . . . . . . . . 5973 1 814 . 1 1 76 76 LYS HA H 1 4.214 . . . . . . . . . . . 5973 1 815 . 1 1 76 76 LYS HB2 H 1 1.823 . . . . . . . . . . . 5973 1 816 . 1 1 76 76 LYS HB3 H 1 1.635 . . . . . . . . . . . 5973 1 817 . 1 1 76 76 LYS HE2 H 1 3.054 . . . . . . . . . . . 5973 1 818 . 1 1 76 76 LYS H H 1 6.958 . . . . . . . . . . . 5973 1 819 . 1 1 76 76 LYS N N 15 120.597 . . . . . . . . . . . 5973 1 820 . 1 1 77 77 ALA C C 13 179.297 . . . . . . . . . . . 5973 1 821 . 1 1 77 77 ALA CA C 13 55.778 . . . . . . . . . . . 5973 1 822 . 1 1 77 77 ALA CB C 13 20.266 . . . . . . . . . . . 5973 1 823 . 1 1 77 77 ALA HA H 1 3.904 . . . . . . . . . . . 5973 1 824 . 1 1 77 77 ALA HB1 H 1 1.478 . . . . . . . . . . . 5973 1 825 . 1 1 77 77 ALA HB2 H 1 1.478 . . . . . . . . . . . 5973 1 826 . 1 1 77 77 ALA HB3 H 1 1.478 . . . . . . . . . . . 5973 1 827 . 1 1 77 77 ALA H H 1 8.188 . . . . . . . . . . . 5973 1 828 . 1 1 77 77 ALA N N 15 122.034 . . . . . . . . . . . 5973 1 829 . 1 1 78 78 ILE C C 13 177.597 . . . . . . . . . . . 5973 1 830 . 1 1 78 78 ILE CA C 13 66.184 . . . . . . . . . . . 5973 1 831 . 1 1 78 78 ILE CB C 13 38.126 . . . . . . . . . . . 5973 1 832 . 1 1 78 78 ILE CD1 C 13 14.003 . . . . . . . . . . . 5973 1 833 . 1 1 78 78 ILE CG1 C 13 31.342 . . . . . . . . . . . 5973 1 834 . 1 1 78 78 ILE CG2 C 13 16.484 . . . . . . . . . . . 5973 1 835 . 1 1 78 78 ILE HA H 1 3.519 . . . . . . . . . . . 5973 1 836 . 1 1 78 78 ILE HB H 1 1.922 . . . . . . . . . . . 5973 1 837 . 1 1 78 78 ILE HD11 H 1 0.782 . . . . . . . . . . . 5973 1 838 . 1 1 78 78 ILE HD12 H 1 0.782 . . . . . . . . . . . 5973 1 839 . 1 1 78 78 ILE HD13 H 1 0.782 . . . . . . . . . . . 5973 1 840 . 1 1 78 78 ILE HG12 H 1 1.854 . . . . . . . . . . . 5973 1 841 . 1 1 78 78 ILE HG13 H 1 0.989 . . . . . . . . . . . 5973 1 842 . 1 1 78 78 ILE HG21 H 1 0.900 . . . . . . . . . . . 5973 1 843 . 1 1 78 78 ILE HG22 H 1 0.900 . . . . . . . . . . . 5973 1 844 . 1 1 78 78 ILE HG23 H 1 0.900 . . . . . . . . . . . 5973 1 845 . 1 1 78 78 ILE H H 1 8.658 . . . . . . . . . . . 5973 1 846 . 1 1 78 78 ILE N N 15 118.467 . . . . . . . . . . . 5973 1 847 . 1 1 79 79 ASN C C 13 178.834 . . . . . . . . . . . 5973 1 848 . 1 1 79 79 ASN CA C 13 57.085 . . . . . . . . . . . 5973 1 849 . 1 1 79 79 ASN CB C 13 38.313 . . . . . . . . . . . 5973 1 850 . 1 1 79 79 ASN HA H 1 4.430 . . . . . . . . . . . 5973 1 851 . 1 1 79 79 ASN HB2 H 1 2.937 . . . . . . . . . . . 5973 1 852 . 1 1 79 79 ASN HD21 H 1 7.712 . . . . . . . . . . . 5973 1 853 . 1 1 79 79 ASN HD22 H 1 7.002 . . . . . . . . . . . 5973 1 854 . 1 1 79 79 ASN H H 1 7.485 . . . . . . . . . . . 5973 1 855 . 1 1 79 79 ASN N N 15 117.912 . . . . . . . . . . . 5973 1 856 . 1 1 79 79 ASN ND2 N 15 112.902 . . . . . . . . . . . 5973 1 857 . 1 1 80 80 VAL C C 13 178.742 . . . . . . . . . . . 5973 1 858 . 1 1 80 80 VAL CA C 13 66.100 . . . . . . . . . . . 5973 1 859 . 1 1 80 80 VAL CB C 13 31.664 . . . . . . . . . . . 5973 1 860 . 1 1 80 80 VAL CG1 C 13 24.169 . . . . . . . . . . . 5973 1 861 . 1 1 80 80 VAL CG2 C 13 23.166 . . . . . . . . . . . 5973 1 862 . 1 1 80 80 VAL HA H 1 3.501 . . . . . . . . . . . 5973 1 863 . 1 1 80 80 VAL HB H 1 1.972 . . . . . . . . . . . 5973 1 864 . 1 1 80 80 VAL HG11 H 1 0.306 . . . . . . . . . . . 5973 1 865 . 1 1 80 80 VAL HG12 H 1 0.306 . . . . . . . . . . . 5973 1 866 . 1 1 80 80 VAL HG13 H 1 0.306 . . . . . . . . . . . 5973 1 867 . 1 1 80 80 VAL HG21 H 1 1.010 . . . . . . . . . . . 5973 1 868 . 1 1 80 80 VAL HG22 H 1 1.010 . . . . . . . . . . . 5973 1 869 . 1 1 80 80 VAL HG23 H 1 1.010 . . . . . . . . . . . 5973 1 870 . 1 1 80 80 VAL H H 1 7.756 . . . . . . . . . . . 5973 1 871 . 1 1 80 80 VAL N N 15 120.117 . . . . . . . . . . . 5973 1 872 . 1 1 81 81 LEU C C 13 179.318 . . . . . . . . . . . 5973 1 873 . 1 1 81 81 LEU CA C 13 58.014 . . . . . . . . . . . 5973 1 874 . 1 1 81 81 LEU CB C 13 41.855 . . . . . . . . . . . 5973 1 875 . 1 1 81 81 LEU CD1 C 13 26.759 . . . . . . . . . . . 5973 1 876 . 1 1 81 81 LEU CG C 13 33.667 . . . . . . . . . . . 5973 1 877 . 1 1 81 81 LEU HA H 1 3.528 . . . . . . . . . . . 5973 1 878 . 1 1 81 81 LEU HB2 H 1 2.135 . . . . . . . . . . . 5973 1 879 . 1 1 81 81 LEU HB3 H 1 1.317 . . . . . . . . . . . 5973 1 880 . 1 1 81 81 LEU HD11 H 1 0.979 . . . . . . . . . . . 5973 1 881 . 1 1 81 81 LEU HD12 H 1 0.979 . . . . . . . . . . . 5973 1 882 . 1 1 81 81 LEU HD13 H 1 0.979 . . . . . . . . . . . 5973 1 883 . 1 1 81 81 LEU HG H 1 1.768 . . . . . . . . . . . 5973 1 884 . 1 1 81 81 LEU H H 1 7.971 . . . . . . . . . . . 5973 1 885 . 1 1 81 81 LEU N N 15 119.520 . . . . . . . . . . . 5973 1 886 . 1 1 82 82 ARG C C 13 180.159 . . . . . . . . . . . 5973 1 887 . 1 1 82 82 ARG CA C 13 61.037 . . . . . . . . . . . 5973 1 888 . 1 1 82 82 ARG CB C 13 29.667 . . . . . . . . . . . 5973 1 889 . 1 1 82 82 ARG CD C 13 43.829 . . . . . . . . . . . 5973 1 890 . 1 1 82 82 ARG CG C 13 30.038 . . . . . . . . . . . 5973 1 891 . 1 1 82 82 ARG HA H 1 3.942 . . . . . . . . . . . 5973 1 892 . 1 1 82 82 ARG HB2 H 1 2.015 . . . . . . . . . . . 5973 1 893 . 1 1 82 82 ARG HD2 H 1 3.251 . . . . . . . . . . . 5973 1 894 . 1 1 82 82 ARG HG2 H 1 1.633 . . . . . . . . . . . 5973 1 895 . 1 1 82 82 ARG H H 1 8.702 . . . . . . . . . . . 5973 1 896 . 1 1 82 82 ARG N N 15 119.919 . . . . . . . . . . . 5973 1 897 . 1 1 83 83 GLY CA C 13 47.591 . . . . . . . . . . . 5973 1 898 . 1 1 83 83 GLY HA2 H 1 4.063 . . . . . . . . . . . 5973 1 899 . 1 1 83 83 GLY HA3 H 1 4.246 . . . . . . . . . . . 5973 1 900 . 1 1 83 83 GLY H H 1 7.637 . . . . . . . . . . . 5973 1 901 . 1 1 83 83 GLY N N 15 108.408 . . . . . . . . . . . 5973 1 902 . 1 1 84 84 PHE C C 13 178.431 . . . . . . . . . . . 5973 1 903 . 1 1 84 84 PHE CB C 13 36.143 . . . . . . . . . . . 5973 1 904 . 1 1 84 84 PHE CD1 C 13 129.443 . . . . . . . . . . . 5973 1 905 . 1 1 84 84 PHE CE1 C 13 126.335 . . . . . . . . . . . 5973 1 906 . 1 1 84 84 PHE CZ C 13 129.326 . . . . . . . . . . . 5973 1 907 . 1 1 84 84 PHE HA H 1 4.431 . . . . . . . . . . . 5973 1 908 . 1 1 84 84 PHE HB2 H 1 3.232 . . . . . . . . . . . 5973 1 909 . 1 1 84 84 PHE HB3 H 1 2.440 . . . . . . . . . . . 5973 1 910 . 1 1 84 84 PHE HD1 H 1 6.710 . . . . . . . . . . . 5973 1 911 . 1 1 84 84 PHE HE1 H 1 7.122 . . . . . . . . . . . 5973 1 912 . 1 1 84 84 PHE H H 1 7.977 . . . . . . . . . . . 5973 1 913 . 1 1 84 84 PHE HZ H 1 7.347 . . . . . . . . . . . 5973 1 914 . 1 1 84 84 PHE N N 15 123.434 . . . . . . . . . . . 5973 1 915 . 1 1 85 85 ARG C C 13 179.794 . . . . . . . . . . . 5973 1 916 . 1 1 85 85 ARG CA C 13 61.091 . . . . . . . . . . . 5973 1 917 . 1 1 85 85 ARG CB C 13 30.645 . . . . . . . . . . . 5973 1 918 . 1 1 85 85 ARG CD C 13 44.426 . . . . . . . . . . . 5973 1 919 . 1 1 85 85 ARG CG C 13 28.265 . . . . . . . . . . . 5973 1 920 . 1 1 85 85 ARG HA H 1 3.944 . . . . . . . . . . . 5973 1 921 . 1 1 85 85 ARG HB2 H 1 2.432 . . . . . . . . . . . 5973 1 922 . 1 1 85 85 ARG HD2 H 1 3.181 . . . . . . . . . . . 5973 1 923 . 1 1 85 85 ARG HD3 H 1 3.316 . . . . . . . . . . . 5973 1 924 . 1 1 85 85 ARG HG2 H 1 1.699 . . . . . . . . . . . 5973 1 925 . 1 1 85 85 ARG HG3 H 1 1.913 . . . . . . . . . . . 5973 1 926 . 1 1 85 85 ARG H H 1 8.731 . . . . . . . . . . . 5973 1 927 . 1 1 85 85 ARG N N 15 120.650 . . . . . . . . . . . 5973 1 928 . 1 1 86 86 LYS C C 13 179.572 . . . . . . . . . . . 5973 1 929 . 1 1 86 86 LYS CA C 13 59.754 . . . . . . . . . . . 5973 1 930 . 1 1 86 86 LYS CB C 13 32.504 . . . . . . . . . . . 5973 1 931 . 1 1 86 86 LYS CG C 13 29.544 . . . . . . . . . . . 5973 1 932 . 1 1 86 86 LYS HA H 1 4.333 . . . . . . . . . . . 5973 1 933 . 1 1 86 86 LYS HB2 H 1 2.188 . . . . . . . . . . . 5973 1 934 . 1 1 86 86 LYS HE2 H 1 3.106 . . . . . . . . . . . 5973 1 935 . 1 1 86 86 LYS HE3 H 1 3.277 . . . . . . . . . . . 5973 1 936 . 1 1 86 86 LYS H H 1 8.006 . . . . . . . . . . . 5973 1 937 . 1 1 86 86 LYS N N 15 121.076 . . . . . . . . . . . 5973 1 938 . 1 1 87 87 GLU C C 13 180.236 . . . . . . . . . . . 5973 1 939 . 1 1 87 87 GLU CA C 13 59.221 . . . . . . . . . . . 5973 1 940 . 1 1 87 87 GLU CB C 13 32.269 . . . . . . . . . . . 5973 1 941 . 1 1 87 87 GLU CG C 13 27.556 . . . . . . . . . . . 5973 1 942 . 1 1 87 87 GLU HA H 1 4.618 . . . . . . . . . . . 5973 1 943 . 1 1 87 87 GLU HB2 H 1 2.718 . . . . . . . . . . . 5973 1 944 . 1 1 87 87 GLU HG2 H 1 1.110 . . . . . . . . . . . 5973 1 945 . 1 1 87 87 GLU HG3 H 1 1.468 . . . . . . . . . . . 5973 1 946 . 1 1 87 87 GLU H H 1 8.212 . . . . . . . . . . . 5973 1 947 . 1 1 87 87 GLU N N 15 121.826 . . . . . . . . . . . 5973 1 948 . 1 1 88 88 ILE CA C 13 64.531 . . . . . . . . . . . 5973 1 949 . 1 1 88 88 ILE CB C 13 36.474 . . . . . . . . . . . 5973 1 950 . 1 1 88 88 ILE CD1 C 13 12.647 . . . . . . . . . . . 5973 1 951 . 1 1 88 88 ILE CG1 C 13 29.300 . . . . . . . . . . . 5973 1 952 . 1 1 88 88 ILE CG2 C 13 19.026 . . . . . . . . . . . 5973 1 953 . 1 1 88 88 ILE HA H 1 4.126 . . . . . . . . . . . 5973 1 954 . 1 1 88 88 ILE HB H 1 2.373 . . . . . . . . . . . 5973 1 955 . 1 1 88 88 ILE HD11 H 1 1.210 . . . . . . . . . . . 5973 1 956 . 1 1 88 88 ILE HD12 H 1 1.210 . . . . . . . . . . . 5973 1 957 . 1 1 88 88 ILE HD13 H 1 1.210 . . . . . . . . . . . 5973 1 958 . 1 1 88 88 ILE HG12 H 1 2.057 . . . . . . . . . . . 5973 1 959 . 1 1 88 88 ILE HG13 H 1 1.949 . . . . . . . . . . . 5973 1 960 . 1 1 88 88 ILE HG21 H 1 1.144 . . . . . . . . . . . 5973 1 961 . 1 1 88 88 ILE HG22 H 1 1.144 . . . . . . . . . . . 5973 1 962 . 1 1 88 88 ILE HG23 H 1 1.144 . . . . . . . . . . . 5973 1 963 . 1 1 88 88 ILE H H 1 8.634 . . . . . . . . . . . 5973 1 964 . 1 1 88 88 ILE N N 15 120.099 . . . . . . . . . . . 5973 1 965 . 1 1 89 89 GLY CA C 13 48.029 . . . . . . . . . . . 5973 1 966 . 1 1 89 89 GLY HA2 H 1 4.191 . . . . . . . . . . . 5973 1 967 . 1 1 89 89 GLY HA3 H 1 3.969 . . . . . . . . . . . 5973 1 968 . 1 1 89 89 GLY H H 1 8.155 . . . . . . . . . . . 5973 1 969 . 1 1 89 89 GLY N N 15 107.192 . . . . . . . . . . . 5973 1 970 . 1 1 90 90 ARG C C 13 178.151 . . . . . . . . . . . 5973 1 971 . 1 1 90 90 ARG CA C 13 60.165 . . . . . . . . . . . 5973 1 972 . 1 1 90 90 ARG CB C 13 30.191 . . . . . . . . . . . 5973 1 973 . 1 1 90 90 ARG CD C 13 43.950 . . . . . . . . . . . 5973 1 974 . 1 1 90 90 ARG CG C 13 28.699 . . . . . . . . . . . 5973 1 975 . 1 1 90 90 ARG HA H 1 4.280 . . . . . . . . . . . 5973 1 976 . 1 1 90 90 ARG HB2 H 1 2.039 . . . . . . . . . . . 5973 1 977 . 1 1 90 90 ARG HB3 H 1 2.216 . . . . . . . . . . . 5973 1 978 . 1 1 90 90 ARG HD2 H 1 3.374 . . . . . . . . . . . 5973 1 979 . 1 1 90 90 ARG HG2 H 1 1.752 . . . . . . . . . . . 5973 1 980 . 1 1 90 90 ARG H H 1 8.270 . . . . . . . . . . . 5973 1 981 . 1 1 90 90 ARG N N 15 123.382 . . . . . . . . . . . 5973 1 982 . 1 1 91 91 MET C C 13 179.592 . . . . . . . . . . . 5973 1 983 . 1 1 91 91 MET CA C 13 60.615 . . . . . . . . . . . 5973 1 984 . 1 1 91 91 MET CB C 13 35.503 . . . . . . . . . . . 5973 1 985 . 1 1 91 91 MET CE C 13 18.480 . . . . . . . . . . . 5973 1 986 . 1 1 91 91 MET CG C 13 33.352 . . . . . . . . . . . 5973 1 987 . 1 1 91 91 MET HA H 1 4.043 . . . . . . . . . . . 5973 1 988 . 1 1 91 91 MET HB2 H 1 2.317 . . . . . . . . . . . 5973 1 989 . 1 1 91 91 MET HB3 H 1 2.643 . . . . . . . . . . . 5973 1 990 . 1 1 91 91 MET HE1 H 1 1.777 . . . . . . . . . . . 5973 1 991 . 1 1 91 91 MET HE2 H 1 1.777 . . . . . . . . . . . 5973 1 992 . 1 1 91 91 MET HE3 H 1 1.777 . . . . . . . . . . . 5973 1 993 . 1 1 91 91 MET HG2 H 1 3.130 . . . . . . . . . . . 5973 1 994 . 1 1 91 91 MET H H 1 8.411 . . . . . . . . . . . 5973 1 995 . 1 1 91 91 MET N N 15 119.467 . . . . . . . . . . . 5973 1 996 . 1 1 92 92 LEU C C 13 178.668 . . . . . . . . . . . 5973 1 997 . 1 1 92 92 LEU CA C 13 58.831 . . . . . . . . . . . 5973 1 998 . 1 1 92 92 LEU CB C 13 42.063 . . . . . . . . . . . 5973 1 999 . 1 1 92 92 LEU CD1 C 13 26.698 . . . . . . . . . . . 5973 1 1000 . 1 1 92 92 LEU CD2 C 13 26.225 . . . . . . . . . . . 5973 1 1001 . 1 1 92 92 LEU CG C 13 27.655 . . . . . . . . . . . 5973 1 1002 . 1 1 92 92 LEU HA H 1 3.949 . . . . . . . . . . . 5973 1 1003 . 1 1 92 92 LEU HB2 H 1 2.185 . . . . . . . . . . . 5973 1 1004 . 1 1 92 92 LEU HB3 H 1 1.618 . . . . . . . . . . . 5973 1 1005 . 1 1 92 92 LEU HD11 H 1 1.091 . . . . . . . . . . . 5973 1 1006 . 1 1 92 92 LEU HD12 H 1 1.091 . . . . . . . . . . . 5973 1 1007 . 1 1 92 92 LEU HD13 H 1 1.091 . . . . . . . . . . . 5973 1 1008 . 1 1 92 92 LEU HD21 H 1 0.955 . . . . . . . . . . . 5973 1 1009 . 1 1 92 92 LEU HD22 H 1 0.955 . . . . . . . . . . . 5973 1 1010 . 1 1 92 92 LEU HD23 H 1 0.955 . . . . . . . . . . . 5973 1 1011 . 1 1 92 92 LEU HG H 1 1.776 . . . . . . . . . . . 5973 1 1012 . 1 1 92 92 LEU H H 1 8.645 . . . . . . . . . . . 5973 1 1013 . 1 1 92 92 LEU N N 15 119.662 . . . . . . . . . . . 5973 1 1014 . 1 1 93 93 ASN C C 13 177.992 . . . . . . . . . . . 5973 1 1015 . 1 1 93 93 ASN CA C 13 56.852 . . . . . . . . . . . 5973 1 1016 . 1 1 93 93 ASN CB C 13 38.674 . . . . . . . . . . . 5973 1 1017 . 1 1 93 93 ASN HA H 1 4.549 . . . . . . . . . . . 5973 1 1018 . 1 1 93 93 ASN HB2 H 1 3.103 . . . . . . . . . . . 5973 1 1019 . 1 1 93 93 ASN HB3 H 1 3.021 . . . . . . . . . . . 5973 1 1020 . 1 1 93 93 ASN HD21 H 1 7.797 . . . . . . . . . . . 5973 1 1021 . 1 1 93 93 ASN HD22 H 1 7.013 . . . . . . . . . . . 5973 1 1022 . 1 1 93 93 ASN H H 1 8.171 . . . . . . . . . . . 5973 1 1023 . 1 1 93 93 ASN N N 15 118.652 . . . . . . . . . . . 5973 1 1024 . 1 1 93 93 ASN ND2 N 15 112.632 . . . . . . . . . . . 5973 1 1025 . 1 1 94 94 ILE C C 13 179.413 . . . . . . . . . . . 5973 1 1026 . 1 1 94 94 ILE CA C 13 65.569 . . . . . . . . . . . 5973 1 1027 . 1 1 94 94 ILE CB C 13 38.885 . . . . . . . . . . . 5973 1 1028 . 1 1 94 94 ILE CD1 C 13 14.304 . . . . . . . . . . . 5973 1 1029 . 1 1 94 94 ILE CG1 C 13 29.380 . . . . . . . . . . . 5973 1 1030 . 1 1 94 94 ILE CG2 C 13 17.873 . . . . . . . . . . . 5973 1 1031 . 1 1 94 94 ILE HA H 1 3.778 . . . . . . . . . . . 5973 1 1032 . 1 1 94 94 ILE HB H 1 2.247 . . . . . . . . . . . 5973 1 1033 . 1 1 94 94 ILE HD11 H 1 1.110 . . . . . . . . . . . 5973 1 1034 . 1 1 94 94 ILE HD12 H 1 1.110 . . . . . . . . . . . 5973 1 1035 . 1 1 94 94 ILE HD13 H 1 1.110 . . . . . . . . . . . 5973 1 1036 . 1 1 94 94 ILE HG12 H 1 1.343 . . . . . . . . . . . 5973 1 1037 . 1 1 94 94 ILE HG13 H 1 2.023 . . . . . . . . . . . 5973 1 1038 . 1 1 94 94 ILE HG21 H 1 1.181 . . . . . . . . . . . 5973 1 1039 . 1 1 94 94 ILE HG22 H 1 1.181 . . . . . . . . . . . 5973 1 1040 . 1 1 94 94 ILE HG23 H 1 1.181 . . . . . . . . . . . 5973 1 1041 . 1 1 94 94 ILE H H 1 8.122 . . . . . . . . . . . 5973 1 1042 . 1 1 94 94 ILE N N 15 119.939 . . . . . . . . . . . 5973 1 1043 . 1 1 95 95 LEU C C 13 178.934 . . . . . . . . . . . 5973 1 1044 . 1 1 95 95 LEU CA C 13 58.011 . . . . . . . . . . . 5973 1 1045 . 1 1 95 95 LEU CB C 13 42.329 . . . . . . . . . . . 5973 1 1046 . 1 1 95 95 LEU CD1 C 13 27.506 . . . . . . . . . . . 5973 1 1047 . 1 1 95 95 LEU CD2 C 13 22.260 . . . . . . . . . . . 5973 1 1048 . 1 1 95 95 LEU CG C 13 27.357 . . . . . . . . . . . 5973 1 1049 . 1 1 95 95 LEU HA H 1 3.946 . . . . . . . . . . . 5973 1 1050 . 1 1 95 95 LEU HB2 H 1 1.929 . . . . . . . . . . . 5973 1 1051 . 1 1 95 95 LEU HB3 H 1 1.223 . . . . . . . . . . . 5973 1 1052 . 1 1 95 95 LEU HD11 H 1 0.789 . . . . . . . . . . . 5973 1 1053 . 1 1 95 95 LEU HD12 H 1 0.789 . . . . . . . . . . . 5973 1 1054 . 1 1 95 95 LEU HD13 H 1 0.789 . . . . . . . . . . . 5973 1 1055 . 1 1 95 95 LEU HD21 H 1 0.383 . . . . . . . . . . . 5973 1 1056 . 1 1 95 95 LEU HD22 H 1 0.383 . . . . . . . . . . . 5973 1 1057 . 1 1 95 95 LEU HD23 H 1 0.383 . . . . . . . . . . . 5973 1 1058 . 1 1 95 95 LEU HG H 1 1.858 . . . . . . . . . . . 5973 1 1059 . 1 1 95 95 LEU H H 1 8.000 . . . . . . . . . . . 5973 1 1060 . 1 1 95 95 LEU N N 15 119.319 . . . . . . . . . . . 5973 1 1061 . 1 1 96 96 ASN C C 13 176.741 . . . . . . . . . . . 5973 1 1062 . 1 1 96 96 ASN CA C 13 56.093 . . . . . . . . . . . 5973 1 1063 . 1 1 96 96 ASN CB C 13 39.357 . . . . . . . . . . . 5973 1 1064 . 1 1 96 96 ASN HA H 1 4.451 . . . . . . . . . . . 5973 1 1065 . 1 1 96 96 ASN HB2 H 1 2.966 . . . . . . . . . . . 5973 1 1066 . 1 1 96 96 ASN HB3 H 1 2.873 . . . . . . . . . . . 5973 1 1067 . 1 1 96 96 ASN HD21 H 1 7.596 . . . . . . . . . . . 5973 1 1068 . 1 1 96 96 ASN HD22 H 1 6.856 . . . . . . . . . . . 5973 1 1069 . 1 1 96 96 ASN H H 1 8.587 . . . . . . . . . . . 5973 1 1070 . 1 1 96 96 ASN N N 15 115.992 . . . . . . . . . . . 5973 1 1071 . 1 1 96 96 ASN ND2 N 15 112.762 . . . . . . . . . . . 5973 1 1072 . 1 1 97 97 ARG C C 13 177.238 . . . . . . . . . . . 5973 1 1073 . 1 1 97 97 ARG CA C 13 57.174 . . . . . . . . . . . 5973 1 1074 . 1 1 97 97 ARG CB C 13 31.193 . . . . . . . . . . . 5973 1 1075 . 1 1 97 97 ARG CD C 13 44.190 . . . . . . . . . . . 5973 1 1076 . 1 1 97 97 ARG CG C 13 27.952 . . . . . . . . . . . 5973 1 1077 . 1 1 97 97 ARG HA H 1 4.290 . . . . . . . . . . . 5973 1 1078 . 1 1 97 97 ARG HB2 H 1 1.917 . . . . . . . . . . . 5973 1 1079 . 1 1 97 97 ARG HB3 H 1 2.092 . . . . . . . . . . . 5973 1 1080 . 1 1 97 97 ARG HD2 H 1 3.296 . . . . . . . . . . . 5973 1 1081 . 1 1 97 97 ARG HG2 H 1 1.822 . . . . . . . . . . . 5973 1 1082 . 1 1 97 97 ARG HG3 H 1 1.949 . . . . . . . . . . . 5973 1 1083 . 1 1 97 97 ARG H H 1 7.407 . . . . . . . . . . . 5973 1 1084 . 1 1 97 97 ARG N N 15 116.182 . . . . . . . . . . . 5973 1 1085 . 1 1 98 98 ARG C C 13 176.762 . . . . . . . . . . . 5973 1 1086 . 1 1 98 98 ARG CA C 13 57.105 . . . . . . . . . . . 5973 1 1087 . 1 1 98 98 ARG CB C 13 32.053 . . . . . . . . . . . 5973 1 1088 . 1 1 98 98 ARG CD C 13 44.662 . . . . . . . . . . . 5973 1 1089 . 1 1 98 98 ARG CG C 13 27.687 . . . . . . . . . . . 5973 1 1090 . 1 1 98 98 ARG HA H 1 4.393 . . . . . . . . . . . 5973 1 1091 . 1 1 98 98 ARG HB2 H 1 2.085 . . . . . . . . . . . 5973 1 1092 . 1 1 98 98 ARG HD2 H 1 3.278 . . . . . . . . . . . 5973 1 1093 . 1 1 98 98 ARG HD3 H 1 3.067 . . . . . . . . . . . 5973 1 1094 . 1 1 98 98 ARG HE H 1 7.218 . . . . . . . . . . . 5973 1 1095 . 1 1 98 98 ARG HG2 H 1 1.795 . . . . . . . . . . . 5973 1 1096 . 1 1 98 98 ARG H H 1 7.581 . . . . . . . . . . . 5973 1 1097 . 1 1 98 98 ARG N N 15 119.970 . . . . . . . . . . . 5973 1 1098 . 1 1 98 98 ARG NE N 15 85.227 . . . . . . . . . . . 5973 1 1099 . 1 1 99 99 ARG C C 13 176.060 . . . . . . . . . . . 5973 1 1100 . 1 1 99 99 ARG CA C 13 57.292 . . . . . . . . . . . 5973 1 1101 . 1 1 99 99 ARG CB C 13 31.553 . . . . . . . . . . . 5973 1 1102 . 1 1 99 99 ARG CD C 13 43.558 . . . . . . . . . . . 5973 1 1103 . 1 1 99 99 ARG CG C 13 27.737 . . . . . . . . . . . 5973 1 1104 . 1 1 99 99 ARG HA H 1 4.349 . . . . . . . . . . . 5973 1 1105 . 1 1 99 99 ARG HB2 H 1 1.972 . . . . . . . . . . . 5973 1 1106 . 1 1 99 99 ARG HD2 H 1 3.311 . . . . . . . . . . . 5973 1 1107 . 1 1 99 99 ARG HG2 H 1 1.815 . . . . . . . . . . . 5973 1 1108 . 1 1 99 99 ARG H H 1 8.875 . . . . . . . . . . . 5973 1 1109 . 1 1 99 99 ARG N N 15 121.602 . . . . . . . . . . . 5973 1 1110 . 1 1 100 100 ARG C C 13 179.900 . . . . . . . . . . . 5973 1 1111 . 1 1 100 100 ARG CA C 13 57.279 . . . . . . . . . . . 5973 1 1112 . 1 1 100 100 ARG CB C 13 32.077 . . . . . . . . . . . 5973 1 1113 . 1 1 100 100 ARG HA H 1 4.252 . . . . . . . . . . . 5973 1 1114 . 1 1 100 100 ARG HD2 H 1 3.102 . . . . . . . . . . . 5973 1 1115 . 1 1 100 100 ARG H H 1 7.791 . . . . . . . . . . . 5973 1 1116 . 1 1 100 100 ARG N N 15 123.025 . . . . . . . . . . . 5973 1 stop_ save_