data_16120 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16120 _Entry.Title ; Sequence-specific 1H, 13C, and 15N resonance assignment of the Autophagy-related Protein Atg 8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-14 _Entry.Accession_date 2009-01-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Melanie Schwarten . . . 16120 2 Matthias Stoldt . . . 16120 3 Jeannine Mohrluder . . . 16120 4 Dieter Willbold . . . 16120 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16120 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 16120 '15N chemical shifts' 106 16120 '1H chemical shifts' 736 16120 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 3 . . 2009-08-20 2009-01-14 update BMRB 'added PubMed ID' 16120 2 . . 2009-06-05 2009-01-14 update BMRB 'completed entry citation' 16120 1 . . 2009-04-14 2009-01-14 original author 'original release' 16120 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16120 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636965 _Citation.Full_citation . _Citation.Title 'Sequence-specific 1H, 13C, and 15N resonance assignment of the autophagy-related protein Atg8' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 137 _Citation.Page_last 139 _Citation.Year 2009 _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 Melanie Schwarten . . . 16120 1 2 Matthias Stoldt . . . 16120 1 3 Jeannine Mohrluder . . . 16120 1 4 Dieter Willbold . . . 16120 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16120 _Assembly.ID 1 _Assembly.Name Atg8 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Atg8 1 $Atg8 A . yes native no no . . . 16120 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Atg8 _Entity.Sf_category entity _Entity.Sf_framecode Atg8 _Entity.Entry_ID 16120 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Atg8 _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 ; GSMKSTFKSEYPFEKRKAES ERIADRFKNRIPVICEKAEK SDIPEIDKRKYLVPADLTVG QFVYVIRKRIMLPPEKAIFI FVNDTLPPTAALMSAIYQEH KDKDGFLYVTYSGENTFGR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16835 . Atg8_K26P . . . . . 97.48 116 99.14 99.14 1.08e-76 . . . . 16120 1 2 no BMRB 17879 . Atg8K26P . . . . . 97.48 117 99.14 99.14 9.36e-77 . . . . 16120 1 3 no PDB 2KQ7 . "Solution Structure Of The Autophagy-Related Protein Atg8" . . . . . 100.00 119 100.00 100.00 4.30e-80 . . . . 16120 1 4 no PDB 2KWC . "The Nmr Structure Of The Autophagy-Related Protein Atg8" . . . . . 97.48 116 99.14 99.14 1.08e-76 . . . . 16120 1 5 no PDB 2LI5 . "Nmr Structure Of Atg8-Atg7c30 Complex" . . . . . 97.48 117 99.14 99.14 9.36e-77 . . . . 16120 1 6 no PDB 2ZPN . "The Crystal Structure Of Saccharomyces Cerevisiae Atg8- Atg19(412-415) Complex" . . . . . 99.16 119 98.31 98.31 8.56e-78 . . . . 16120 1 7 no PDB 3RUI . "Crystal Structure Of Atg7c-atg8 Complex" . . . . . 99.16 118 100.00 100.00 2.03e-79 . . . . 16120 1 8 no PDB 3VH3 . "Crystal Structure Of Atg7ctd-Atg8 Complex" . . . . . 97.48 119 99.14 99.14 1.40e-76 . . . . 16120 1 9 no PDB 3VH4 . "Crystal Structure Of Atg7ctd-Atg8-Mgatp Complex" . . . . . 97.48 119 99.14 99.14 1.40e-76 . . . . 16120 1 10 no PDB 3VXW . "Crystal Structure Of Saccharomyces Cerevisiae Atg8 Complexed With Atg32 Aim" . . . . . 99.16 119 98.31 98.31 8.56e-78 . . . . 16120 1 11 no DBJ GAA21477 . "K7_Atg8p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 12 no EMBL CAA56032 . "E-117 protein [Saccharomyces cerevisiae]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 13 no EMBL CAA84899 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 14 no EMBL CAY77706 . "Atg8p [Saccharomyces cerevisiae EC1118]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 15 no GB AAT92889 . "YBL078C [Saccharomyces cerevisiae]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 16 no GB AHY74413 . "Atg8p [Saccharomyces cerevisiae YJM993]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 17 no GB AJP37015 . "Atg8p [Saccharomyces cerevisiae YJM1078]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 18 no GB AJP81917 . "Atg8p [Saccharomyces cerevisiae YJM1402]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 19 no GB AJP82297 . "Atg8p [Saccharomyces cerevisiae YJM1415]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 20 no REF NP_009475 . "ubiquitin-like protein ATG8 [Saccharomyces cerevisiae S288c]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 21 no SP A6ZKM4 . "RecName: Full=Autophagy-related protein 8; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8; AltName: Full=Cytoplas" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 22 no SP P38182 . "RecName: Full=Autophagy-related protein 8; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8; AltName: Full=Cytoplas" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 23 no TPG DAA07045 . "TPA: ubiquitin-like protein ATG8 [Saccharomyces cerevisiae S288c]" . . . . . 98.32 117 100.00 100.00 1.37e-78 . . . . 16120 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16120 1 2 . SER . 16120 1 3 . MET . 16120 1 4 . LYS . 16120 1 5 . SER . 16120 1 6 . THR . 16120 1 7 . PHE . 16120 1 8 . LYS . 16120 1 9 . SER . 16120 1 10 . GLU . 16120 1 11 . TYR . 16120 1 12 . PRO . 16120 1 13 . PHE . 16120 1 14 . GLU . 16120 1 15 . LYS . 16120 1 16 . ARG . 16120 1 17 . LYS . 16120 1 18 . ALA . 16120 1 19 . GLU . 16120 1 20 . SER . 16120 1 21 . GLU . 16120 1 22 . ARG . 16120 1 23 . ILE . 16120 1 24 . ALA . 16120 1 25 . ASP . 16120 1 26 . ARG . 16120 1 27 . PHE . 16120 1 28 . LYS . 16120 1 29 . ASN . 16120 1 30 . ARG . 16120 1 31 . ILE . 16120 1 32 . PRO . 16120 1 33 . VAL . 16120 1 34 . ILE . 16120 1 35 . CYS . 16120 1 36 . GLU . 16120 1 37 . LYS . 16120 1 38 . ALA . 16120 1 39 . GLU . 16120 1 40 . LYS . 16120 1 41 . SER . 16120 1 42 . ASP . 16120 1 43 . ILE . 16120 1 44 . PRO . 16120 1 45 . GLU . 16120 1 46 . ILE . 16120 1 47 . ASP . 16120 1 48 . LYS . 16120 1 49 . ARG . 16120 1 50 . LYS . 16120 1 51 . TYR . 16120 1 52 . LEU . 16120 1 53 . VAL . 16120 1 54 . PRO . 16120 1 55 . ALA . 16120 1 56 . ASP . 16120 1 57 . LEU . 16120 1 58 . THR . 16120 1 59 . VAL . 16120 1 60 . GLY . 16120 1 61 . GLN . 16120 1 62 . PHE . 16120 1 63 . VAL . 16120 1 64 . TYR . 16120 1 65 . VAL . 16120 1 66 . ILE . 16120 1 67 . ARG . 16120 1 68 . LYS . 16120 1 69 . ARG . 16120 1 70 . ILE . 16120 1 71 . MET . 16120 1 72 . LEU . 16120 1 73 . PRO . 16120 1 74 . PRO . 16120 1 75 . GLU . 16120 1 76 . LYS . 16120 1 77 . ALA . 16120 1 78 . ILE . 16120 1 79 . PHE . 16120 1 80 . ILE . 16120 1 81 . PHE . 16120 1 82 . VAL . 16120 1 83 . ASN . 16120 1 84 . ASP . 16120 1 85 . THR . 16120 1 86 . LEU . 16120 1 87 . PRO . 16120 1 88 . PRO . 16120 1 89 . THR . 16120 1 90 . ALA . 16120 1 91 . ALA . 16120 1 92 . LEU . 16120 1 93 . MET . 16120 1 94 . SER . 16120 1 95 . ALA . 16120 1 96 . ILE . 16120 1 97 . TYR . 16120 1 98 . GLN . 16120 1 99 . GLU . 16120 1 100 . HIS . 16120 1 101 . LYS . 16120 1 102 . ASP . 16120 1 103 . LYS . 16120 1 104 . ASP . 16120 1 105 . GLY . 16120 1 106 . PHE . 16120 1 107 . LEU . 16120 1 108 . TYR . 16120 1 109 . VAL . 16120 1 110 . THR . 16120 1 111 . TYR . 16120 1 112 . SER . 16120 1 113 . GLY . 16120 1 114 . GLU . 16120 1 115 . ASN . 16120 1 116 . THR . 16120 1 117 . PHE . 16120 1 118 . GLY . 16120 1 119 . ARG . 16120 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16120 1 . SER 2 2 16120 1 . MET 3 3 16120 1 . LYS 4 4 16120 1 . SER 5 5 16120 1 . THR 6 6 16120 1 . PHE 7 7 16120 1 . LYS 8 8 16120 1 . SER 9 9 16120 1 . GLU 10 10 16120 1 . TYR 11 11 16120 1 . PRO 12 12 16120 1 . PHE 13 13 16120 1 . GLU 14 14 16120 1 . LYS 15 15 16120 1 . ARG 16 16 16120 1 . LYS 17 17 16120 1 . ALA 18 18 16120 1 . GLU 19 19 16120 1 . SER 20 20 16120 1 . GLU 21 21 16120 1 . ARG 22 22 16120 1 . ILE 23 23 16120 1 . ALA 24 24 16120 1 . ASP 25 25 16120 1 . ARG 26 26 16120 1 . PHE 27 27 16120 1 . LYS 28 28 16120 1 . ASN 29 29 16120 1 . ARG 30 30 16120 1 . ILE 31 31 16120 1 . PRO 32 32 16120 1 . VAL 33 33 16120 1 . ILE 34 34 16120 1 . CYS 35 35 16120 1 . GLU 36 36 16120 1 . LYS 37 37 16120 1 . ALA 38 38 16120 1 . GLU 39 39 16120 1 . LYS 40 40 16120 1 . SER 41 41 16120 1 . ASP 42 42 16120 1 . ILE 43 43 16120 1 . PRO 44 44 16120 1 . GLU 45 45 16120 1 . ILE 46 46 16120 1 . ASP 47 47 16120 1 . LYS 48 48 16120 1 . ARG 49 49 16120 1 . LYS 50 50 16120 1 . TYR 51 51 16120 1 . LEU 52 52 16120 1 . VAL 53 53 16120 1 . PRO 54 54 16120 1 . ALA 55 55 16120 1 . ASP 56 56 16120 1 . LEU 57 57 16120 1 . THR 58 58 16120 1 . VAL 59 59 16120 1 . GLY 60 60 16120 1 . GLN 61 61 16120 1 . PHE 62 62 16120 1 . VAL 63 63 16120 1 . TYR 64 64 16120 1 . VAL 65 65 16120 1 . ILE 66 66 16120 1 . ARG 67 67 16120 1 . LYS 68 68 16120 1 . ARG 69 69 16120 1 . ILE 70 70 16120 1 . MET 71 71 16120 1 . LEU 72 72 16120 1 . PRO 73 73 16120 1 . PRO 74 74 16120 1 . GLU 75 75 16120 1 . LYS 76 76 16120 1 . ALA 77 77 16120 1 . ILE 78 78 16120 1 . PHE 79 79 16120 1 . ILE 80 80 16120 1 . PHE 81 81 16120 1 . VAL 82 82 16120 1 . ASN 83 83 16120 1 . ASP 84 84 16120 1 . THR 85 85 16120 1 . LEU 86 86 16120 1 . PRO 87 87 16120 1 . PRO 88 88 16120 1 . THR 89 89 16120 1 . ALA 90 90 16120 1 . ALA 91 91 16120 1 . LEU 92 92 16120 1 . MET 93 93 16120 1 . SER 94 94 16120 1 . ALA 95 95 16120 1 . ILE 96 96 16120 1 . TYR 97 97 16120 1 . GLN 98 98 16120 1 . GLU 99 99 16120 1 . HIS 100 100 16120 1 . LYS 101 101 16120 1 . ASP 102 102 16120 1 . LYS 103 103 16120 1 . ASP 104 104 16120 1 . GLY 105 105 16120 1 . PHE 106 106 16120 1 . LEU 107 107 16120 1 . TYR 108 108 16120 1 . VAL 109 109 16120 1 . THR 110 110 16120 1 . TYR 111 111 16120 1 . SER 112 112 16120 1 . GLY 113 113 16120 1 . GLU 114 114 16120 1 . ASN 115 115 16120 1 . THR 116 116 16120 1 . PHE 117 117 16120 1 . GLY 118 118 16120 1 . ARG 119 119 16120 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 16120 _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 $Atg8 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 16120 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 16120 _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 $Atg8 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3 Rosetta' . . . . . . . . . . . . . . . pGex-4T-2 . . . . . . 16120 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16120 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16120 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16120 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16120 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16120 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16120 1 6 Atg8 '[U-13C; U-15N]' . . 1 $Atg8 . . 0.5 . . mM . . . . 16120 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16120 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16120 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16120 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16120 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16120 2 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16120 2 6 Atg8 '[U-13C; U-15N]' . . 1 $Atg8 . . 0.5 . . mM . . . . 16120 2 7 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 16120 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16120 _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 6.4 . pH 16120 1 pressure 1 . atm 16120 1 temperature 298 . K 16120 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16120 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16120 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16120 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16120 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16120 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16120 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16120 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Keller . . 16120 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16120 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16120 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16120 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity_INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16120 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMRS . 800 . . . 16120 1 2 spectrometer_2 Varian Unity_INOVA . 600 . . . 16120 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 16120 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16120 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16120 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16120 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16120 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16120 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16120 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16120 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16120 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16120 1 10 '1D 1H' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16120 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference _Chem_shift_reference.Entry_ID 16120 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16120 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16120 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16120 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16120 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16120 1 2 '2D 1H-13C HSQC' . . . 16120 1 3 '3D HNCO' . . . 16120 1 4 '3D HNCA' . . . 16120 1 5 '3D HNCACB' . . . 16120 1 6 '3D HNHA' . . . 16120 1 7 '3D HCCH-COSY' . . . 16120 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 SER HA H 1 4.426 0.020 . 1 . . . . 2 SER HA . 16120 1 2 . 1 1 2 2 SER HB2 H 1 3.801 0.020 . 1 . . . . 2 SER HB2 . 16120 1 3 . 1 1 2 2 SER HB3 H 1 3.801 0.020 . 1 . . . . 2 SER HB3 . 16120 1 4 . 1 1 2 2 SER C C 13 174.492 0.3 . 1 . . . . 2 SER C . 16120 1 5 . 1 1 2 2 SER CA C 13 58.434 0.3 . 1 . . . . 2 SER CA . 16120 1 6 . 1 1 2 2 SER CB C 13 63.876 0.3 . 1 . . . . 2 SER CB . 16120 1 7 . 1 1 3 3 MET H H 1 8.529 0.020 . 1 . . . . 3 MET H . 16120 1 8 . 1 1 3 3 MET HA H 1 4.415 0.020 . 1 . . . . 3 MET HA . 16120 1 9 . 1 1 3 3 MET HB2 H 1 1.958 0.020 . 2 . . . . 3 MET HB2 . 16120 1 10 . 1 1 3 3 MET HB3 H 1 2.022 0.020 . 2 . . . . 3 MET HB3 . 16120 1 11 . 1 1 3 3 MET HG2 H 1 2.483 0.020 . 2 . . . . 3 MET HG2 . 16120 1 12 . 1 1 3 3 MET HG3 H 1 2.540 0.020 . 2 . . . . 3 MET HG3 . 16120 1 13 . 1 1 3 3 MET C C 13 175.937 0.3 . 1 . . . . 3 MET C . 16120 1 14 . 1 1 3 3 MET CA C 13 55.593 0.3 . 1 . . . . 3 MET CA . 16120 1 15 . 1 1 3 3 MET CB C 13 32.855 0.3 . 1 . . . . 3 MET CB . 16120 1 16 . 1 1 3 3 MET CG C 13 31.956 0.3 . 1 . . . . 3 MET CG . 16120 1 17 . 1 1 3 3 MET N N 15 122.527 0.3 . 1 . . . . 3 MET N . 16120 1 18 . 1 1 4 4 LYS H H 1 8.430 0.020 . 1 . . . . 4 LYS H . 16120 1 19 . 1 1 4 4 LYS HA H 1 4.258 0.020 . 1 . . . . 4 LYS HA . 16120 1 20 . 1 1 4 4 LYS HB2 H 1 1.689 0.020 . 2 . . . . 4 LYS HB2 . 16120 1 21 . 1 1 4 4 LYS HB3 H 1 1.758 0.020 . 2 . . . . 4 LYS HB3 . 16120 1 22 . 1 1 4 4 LYS HD2 H 1 1.612 0.020 . 1 . . . . 4 LYS HD2 . 16120 1 23 . 1 1 4 4 LYS HD3 H 1 1.612 0.020 . 1 . . . . 4 LYS HD3 . 16120 1 24 . 1 1 4 4 LYS HE2 H 1 2.925 0.020 . 1 . . . . 4 LYS HE2 . 16120 1 25 . 1 1 4 4 LYS HE3 H 1 2.925 0.020 . 1 . . . . 4 LYS HE3 . 16120 1 26 . 1 1 4 4 LYS HG2 H 1 1.319 0.020 . 2 . . . . 4 LYS HG2 . 16120 1 27 . 1 1 4 4 LYS HG3 H 1 1.371 0.020 . 2 . . . . 4 LYS HG3 . 16120 1 28 . 1 1 4 4 LYS C C 13 176.105 0.3 . 1 . . . . 4 LYS C . 16120 1 29 . 1 1 4 4 LYS CA C 13 56.137 0.3 . 1 . . . . 4 LYS CA . 16120 1 30 . 1 1 4 4 LYS CB C 13 33.001 0.3 . 1 . . . . 4 LYS CB . 16120 1 31 . 1 1 4 4 LYS CD C 13 29.036 0.3 . 1 . . . . 4 LYS CD . 16120 1 32 . 1 1 4 4 LYS CE C 13 42.070 0.3 . 1 . . . . 4 LYS CE . 16120 1 33 . 1 1 4 4 LYS CG C 13 24.657 0.3 . 1 . . . . 4 LYS CG . 16120 1 34 . 1 1 4 4 LYS N N 15 123.643 0.3 . 1 . . . . 4 LYS N . 16120 1 35 . 1 1 5 5 SER H H 1 8.311 0.020 . 1 . . . . 5 SER H . 16120 1 36 . 1 1 5 5 SER HA H 1 4.600 0.020 . 1 . . . . 5 SER HA . 16120 1 37 . 1 1 5 5 SER HB2 H 1 3.602 0.020 . 2 . . . . 5 SER HB2 . 16120 1 38 . 1 1 5 5 SER HB3 H 1 3.875 0.020 . 2 . . . . 5 SER HB3 . 16120 1 39 . 1 1 5 5 SER C C 13 174.716 0.3 . 1 . . . . 5 SER C . 16120 1 40 . 1 1 5 5 SER CA C 13 57.536 0.3 . 1 . . . . 5 SER CA . 16120 1 41 . 1 1 5 5 SER CB C 13 64.085 0.3 . 1 . . . . 5 SER CB . 16120 1 42 . 1 1 5 5 SER N N 15 118.042 0.3 . 1 . . . . 5 SER N . 16120 1 43 . 1 1 6 6 THR H H 1 8.155 0.020 . 1 . . . . 6 THR H . 16120 1 44 . 1 1 6 6 THR HA H 1 4.249 0.020 . 1 . . . . 6 THR HA . 16120 1 45 . 1 1 6 6 THR HB H 1 4.122 0.020 . 1 . . . . 6 THR HB . 16120 1 46 . 1 1 6 6 THR HG21 H 1 1.070 0.020 . 1 . . . . 6 THR HG2 . 16120 1 47 . 1 1 6 6 THR HG22 H 1 1.070 0.020 . 1 . . . . 6 THR HG2 . 16120 1 48 . 1 1 6 6 THR HG23 H 1 1.070 0.020 . 1 . . . . 6 THR HG2 . 16120 1 49 . 1 1 6 6 THR CA C 13 61.742 0.3 . 1 . . . . 6 THR CA . 16120 1 50 . 1 1 6 6 THR CB C 13 69.674 0.3 . 1 . . . . 6 THR CB . 16120 1 51 . 1 1 6 6 THR CG2 C 13 21.528 0.3 . 1 . . . . 6 THR CG2 . 16120 1 52 . 1 1 6 6 THR N N 15 122.644 0.3 . 1 . . . . 6 THR N . 16120 1 53 . 1 1 8 8 LYS C C 13 177.450 0.3 . 1 . . . . 8 LYS C . 16120 1 54 . 1 1 9 9 SER H H 1 7.588 0.020 . 1 . . . . 9 SER H . 16120 1 55 . 1 1 9 9 SER HA H 1 4.227 0.020 . 1 . . . . 9 SER HA . 16120 1 56 . 1 1 9 9 SER HB2 H 1 3.803 0.020 . 2 . . . . 9 SER HB2 . 16120 1 57 . 1 1 9 9 SER HB3 H 1 3.920 0.020 . 2 . . . . 9 SER HB3 . 16120 1 58 . 1 1 9 9 SER C C 13 175.512 0.3 . 1 . . . . 9 SER C . 16120 1 59 . 1 1 9 9 SER CA C 13 59.938 0.3 . 1 . . . . 9 SER CA . 16120 1 60 . 1 1 9 9 SER CB C 13 63.536 0.3 . 1 . . . . 9 SER CB . 16120 1 61 . 1 1 9 9 SER N N 15 111.613 0.3 . 1 . . . . 9 SER N . 16120 1 62 . 1 1 10 10 GLU H H 1 7.830 0.020 . 1 . . . . 10 GLU H . 16120 1 63 . 1 1 10 10 GLU HA H 1 3.812 0.020 . 1 . . . . 10 GLU HA . 16120 1 64 . 1 1 10 10 GLU HB2 H 1 1.368 0.020 . 2 . . . . 10 GLU HB2 . 16120 1 65 . 1 1 10 10 GLU HB3 H 1 1.734 0.020 . 2 . . . . 10 GLU HB3 . 16120 1 66 . 1 1 10 10 GLU HG2 H 1 2.029 0.020 . 1 . . . . 10 GLU HG2 . 16120 1 67 . 1 1 10 10 GLU HG3 H 1 2.029 0.020 . 1 . . . . 10 GLU HG3 . 16120 1 68 . 1 1 10 10 GLU CA C 13 57.816 0.3 . 1 . . . . 10 GLU CA . 16120 1 69 . 1 1 10 10 GLU CB C 13 31.097 0.3 . 1 . . . . 10 GLU CB . 16120 1 70 . 1 1 10 10 GLU CG C 13 36.188 0.3 . 1 . . . . 10 GLU CG . 16120 1 71 . 1 1 10 10 GLU N N 15 122.024 0.3 . 1 . . . . 10 GLU N . 16120 1 72 . 1 1 11 11 TYR HD1 H 1 6.609 0.020 . 1 . . . . 11 TYR HD1 . 16120 1 73 . 1 1 11 11 TYR HD2 H 1 6.609 0.020 . 1 . . . . 11 TYR HD2 . 16120 1 74 . 1 1 11 11 TYR HE1 H 1 6.664 0.020 . 1 . . . . 11 TYR HE1 . 16120 1 75 . 1 1 11 11 TYR HE2 H 1 6.664 0.020 . 1 . . . . 11 TYR HE2 . 16120 1 76 . 1 1 11 11 TYR CD1 C 13 133.508 0.3 . 1 . . . . 11 TYR CD1 . 16120 1 77 . 1 1 11 11 TYR CD2 C 13 133.508 0.3 . 1 . . . . 11 TYR CD2 . 16120 1 78 . 1 1 11 11 TYR CE1 C 13 118.291 0.3 . 1 . . . . 11 TYR CE1 . 16120 1 79 . 1 1 11 11 TYR CE2 C 13 118.291 0.3 . 1 . . . . 11 TYR CE2 . 16120 1 80 . 1 1 13 13 PHE C C 13 176.038 0.3 . 1 . . . . 13 PHE C . 16120 1 81 . 1 1 14 14 GLU H H 1 9.745 0.020 . 1 . . . . 14 GLU H . 16120 1 82 . 1 1 14 14 GLU HA H 1 3.803 0.020 . 1 . . . . 14 GLU HA . 16120 1 83 . 1 1 14 14 GLU HB2 H 1 2.060 0.020 . 1 . . . . 14 GLU HB2 . 16120 1 84 . 1 1 14 14 GLU HB3 H 1 2.060 0.020 . 1 . . . . 14 GLU HB3 . 16120 1 85 . 1 1 14 14 GLU HG2 H 1 2.427 0.020 . 1 . . . . 14 GLU HG2 . 16120 1 86 . 1 1 14 14 GLU HG3 H 1 2.427 0.020 . 1 . . . . 14 GLU HG3 . 16120 1 87 . 1 1 14 14 GLU CA C 13 60.112 0.3 . 1 . . . . 14 GLU CA . 16120 1 88 . 1 1 14 14 GLU CB C 13 28.612 0.3 . 1 . . . . 14 GLU CB . 16120 1 89 . 1 1 14 14 GLU CG C 13 36.652 0.3 . 1 . . . . 14 GLU CG . 16120 1 90 . 1 1 14 14 GLU N N 15 115.238 0.3 . 1 . . . . 14 GLU N . 16120 1 91 . 1 1 18 18 ALA H H 1 7.233 0.020 . 1 . . . . 18 ALA H . 16120 1 92 . 1 1 18 18 ALA HA H 1 4.096 0.020 . 1 . . . . 18 ALA HA . 16120 1 93 . 1 1 18 18 ALA HB1 H 1 1.447 0.020 . 1 . . . . 18 ALA HB . 16120 1 94 . 1 1 18 18 ALA HB2 H 1 1.447 0.020 . 1 . . . . 18 ALA HB . 16120 1 95 . 1 1 18 18 ALA HB3 H 1 1.447 0.020 . 1 . . . . 18 ALA HB . 16120 1 96 . 1 1 18 18 ALA C C 13 180.452 0.3 . 1 . . . . 18 ALA C . 16120 1 97 . 1 1 18 18 ALA CA C 13 54.456 0.3 . 1 . . . . 18 ALA CA . 16120 1 98 . 1 1 18 18 ALA CB C 13 18.111 0.3 . 1 . . . . 18 ALA CB . 16120 1 99 . 1 1 18 18 ALA N N 15 117.755 0.3 . 1 . . . . 18 ALA N . 16120 1 100 . 1 1 19 19 GLU H H 1 7.860 0.020 . 1 . . . . 19 GLU H . 16120 1 101 . 1 1 19 19 GLU HA H 1 4.290 0.020 . 1 . . . . 19 GLU HA . 16120 1 102 . 1 1 19 19 GLU HB2 H 1 2.164 0.020 . 2 . . . . 19 GLU HB2 . 16120 1 103 . 1 1 19 19 GLU HB3 H 1 2.284 0.020 . 2 . . . . 19 GLU HB3 . 16120 1 104 . 1 1 19 19 GLU HG2 H 1 2.341 0.020 . 1 . . . . 19 GLU HG2 . 16120 1 105 . 1 1 19 19 GLU HG3 H 1 2.341 0.020 . 1 . . . . 19 GLU HG3 . 16120 1 106 . 1 1 19 19 GLU C C 13 178.536 0.3 . 1 . . . . 19 GLU C . 16120 1 107 . 1 1 19 19 GLU CA C 13 58.780 0.3 . 1 . . . . 19 GLU CA . 16120 1 108 . 1 1 19 19 GLU CB C 13 28.977 0.3 . 1 . . . . 19 GLU CB . 16120 1 109 . 1 1 19 19 GLU CG C 13 35.753 0.3 . 1 . . . . 19 GLU CG . 16120 1 110 . 1 1 19 19 GLU N N 15 119.391 0.3 . 1 . . . . 19 GLU N . 16120 1 111 . 1 1 20 20 SER H H 1 8.682 0.020 . 1 . . . . 20 SER H . 16120 1 112 . 1 1 20 20 SER HA H 1 3.978 0.020 . 1 . . . . 20 SER HA . 16120 1 113 . 1 1 20 20 SER C C 13 177.808 0.3 . 1 . . . . 20 SER C . 16120 1 114 . 1 1 20 20 SER CA C 13 61.864 0.3 . 1 . . . . 20 SER CA . 16120 1 115 . 1 1 20 20 SER N N 15 117.167 0.3 . 1 . . . . 20 SER N . 16120 1 116 . 1 1 21 21 GLU H H 1 8.024 0.020 . 1 . . . . 21 GLU H . 16120 1 117 . 1 1 21 21 GLU HA H 1 3.931 0.020 . 1 . . . . 21 GLU HA . 16120 1 118 . 1 1 21 21 GLU HB2 H 1 1.933 0.020 . 2 . . . . 21 GLU HB2 . 16120 1 119 . 1 1 21 21 GLU HB3 H 1 2.097 0.020 . 2 . . . . 21 GLU HB3 . 16120 1 120 . 1 1 21 21 GLU HG2 H 1 2.156 0.020 . 2 . . . . 21 GLU HG2 . 16120 1 121 . 1 1 21 21 GLU HG3 H 1 2.467 0.020 . 2 . . . . 21 GLU HG3 . 16120 1 122 . 1 1 21 21 GLU C C 13 178.637 0.3 . 1 . . . . 21 GLU C . 16120 1 123 . 1 1 21 21 GLU CA C 13 59.408 0.3 . 1 . . . . 21 GLU CA . 16120 1 124 . 1 1 21 21 GLU CB C 13 29.417 0.3 . 1 . . . . 21 GLU CB . 16120 1 125 . 1 1 21 21 GLU CG C 13 36.862 0.3 . 1 . . . . 21 GLU CG . 16120 1 126 . 1 1 21 21 GLU N N 15 124.159 0.3 . 1 . . . . 21 GLU N . 16120 1 127 . 1 1 22 22 ARG H H 1 7.800 0.020 . 1 . . . . 22 ARG H . 16120 1 128 . 1 1 22 22 ARG HA H 1 4.082 0.020 . 1 . . . . 22 ARG HA . 16120 1 129 . 1 1 22 22 ARG HB2 H 1 1.959 0.020 . 1 . . . . 22 ARG HB2 . 16120 1 130 . 1 1 22 22 ARG HB3 H 1 1.959 0.020 . 1 . . . . 22 ARG HB3 . 16120 1 131 . 1 1 22 22 ARG HD2 H 1 3.133 0.020 . 2 . . . . 22 ARG HD2 . 16120 1 132 . 1 1 22 22 ARG HD3 H 1 3.243 0.020 . 2 . . . . 22 ARG HD3 . 16120 1 133 . 1 1 22 22 ARG HG2 H 1 1.493 0.020 . 2 . . . . 22 ARG HG2 . 16120 1 134 . 1 1 22 22 ARG HG3 H 1 1.713 0.020 . 2 . . . . 22 ARG HG3 . 16120 1 135 . 1 1 22 22 ARG C C 13 179.164 0.3 . 1 . . . . 22 ARG C . 16120 1 136 . 1 1 22 22 ARG CA C 13 59.166 0.3 . 1 . . . . 22 ARG CA . 16120 1 137 . 1 1 22 22 ARG CB C 13 30.202 0.3 . 1 . . . . 22 ARG CB . 16120 1 138 . 1 1 22 22 ARG CD C 13 43.309 0.3 . 1 . . . . 22 ARG CD . 16120 1 139 . 1 1 22 22 ARG CG C 13 27.483 0.3 . 1 . . . . 22 ARG CG . 16120 1 140 . 1 1 22 22 ARG N N 15 120.740 0.3 . 1 . . . . 22 ARG N . 16120 1 141 . 1 1 23 23 ILE H H 1 8.099 0.020 . 1 . . . . 23 ILE H . 16120 1 142 . 1 1 23 23 ILE HA H 1 3.698 0.020 . 1 . . . . 23 ILE HA . 16120 1 143 . 1 1 23 23 ILE HB H 1 1.757 0.020 . 1 . . . . 23 ILE HB . 16120 1 144 . 1 1 23 23 ILE HD11 H 1 0.736 0.020 . 1 . . . . 23 ILE HD1 . 16120 1 145 . 1 1 23 23 ILE HD12 H 1 0.736 0.020 . 1 . . . . 23 ILE HD1 . 16120 1 146 . 1 1 23 23 ILE HD13 H 1 0.736 0.020 . 1 . . . . 23 ILE HD1 . 16120 1 147 . 1 1 23 23 ILE HG12 H 1 1.068 0.020 . 2 . . . . 23 ILE HG12 . 16120 1 148 . 1 1 23 23 ILE HG13 H 1 1.734 0.020 . 2 . . . . 23 ILE HG13 . 16120 1 149 . 1 1 23 23 ILE HG21 H 1 0.759 0.020 . 1 . . . . 23 ILE HG2 . 16120 1 150 . 1 1 23 23 ILE HG22 H 1 0.759 0.020 . 1 . . . . 23 ILE HG2 . 16120 1 151 . 1 1 23 23 ILE HG23 H 1 0.759 0.020 . 1 . . . . 23 ILE HG2 . 16120 1 152 . 1 1 23 23 ILE C C 13 176.856 0.3 . 1 . . . . 23 ILE C . 16120 1 153 . 1 1 23 23 ILE CA C 13 65.132 0.3 . 1 . . . . 23 ILE CA . 16120 1 154 . 1 1 23 23 ILE CB C 13 38.344 0.3 . 1 . . . . 23 ILE CB . 16120 1 155 . 1 1 23 23 ILE CD1 C 13 14.113 0.3 . 1 . . . . 23 ILE CD1 . 16120 1 156 . 1 1 23 23 ILE CG1 C 13 29.239 0.3 . 1 . . . . 23 ILE CG1 . 16120 1 157 . 1 1 23 23 ILE CG2 C 13 17.475 0.3 . 1 . . . . 23 ILE CG2 . 16120 1 158 . 1 1 23 23 ILE N N 15 119.838 0.3 . 1 . . . . 23 ILE N . 16120 1 159 . 1 1 24 24 ALA H H 1 7.856 0.020 . 1 . . . . 24 ALA H . 16120 1 160 . 1 1 24 24 ALA HA H 1 4.129 0.020 . 1 . . . . 24 ALA HA . 16120 1 161 . 1 1 24 24 ALA HB1 H 1 1.400 0.020 . 1 . . . . 24 ALA HB . 16120 1 162 . 1 1 24 24 ALA HB2 H 1 1.400 0.020 . 1 . . . . 24 ALA HB . 16120 1 163 . 1 1 24 24 ALA HB3 H 1 1.400 0.020 . 1 . . . . 24 ALA HB . 16120 1 164 . 1 1 24 24 ALA C C 13 178.928 0.3 . 1 . . . . 24 ALA C . 16120 1 165 . 1 1 24 24 ALA CA C 13 53.995 0.3 . 1 . . . . 24 ALA CA . 16120 1 166 . 1 1 24 24 ALA CB C 13 18.155 0.3 . 1 . . . . 24 ALA CB . 16120 1 167 . 1 1 24 24 ALA N N 15 121.160 0.3 . 1 . . . . 24 ALA N . 16120 1 168 . 1 1 25 25 ASP H H 1 7.557 0.020 . 1 . . . . 25 ASP H . 16120 1 169 . 1 1 25 25 ASP HA H 1 4.374 0.020 . 1 . . . . 25 ASP HA . 16120 1 170 . 1 1 25 25 ASP HB2 H 1 2.608 0.020 . 2 . . . . 25 ASP HB2 . 16120 1 171 . 1 1 25 25 ASP HB3 H 1 2.665 0.020 . 2 . . . . 25 ASP HB3 . 16120 1 172 . 1 1 25 25 ASP C C 13 177.147 0.3 . 1 . . . . 25 ASP C . 16120 1 173 . 1 1 25 25 ASP CA C 13 56.049 0.3 . 1 . . . . 25 ASP CA . 16120 1 174 . 1 1 25 25 ASP CB C 13 42.227 0.3 . 1 . . . . 25 ASP CB . 16120 1 175 . 1 1 25 25 ASP N N 15 115.387 0.3 . 1 . . . . 25 ASP N . 16120 1 176 . 1 1 26 26 ARG H H 1 7.800 0.020 . 1 . . . . 26 ARG H . 16120 1 177 . 1 1 26 26 ARG HA H 1 3.949 0.020 . 1 . . . . 26 ARG HA . 16120 1 178 . 1 1 26 26 ARG HB2 H 1 1.176 0.020 . 2 . . . . 26 ARG HB2 . 16120 1 179 . 1 1 26 26 ARG HB3 H 1 1.422 0.020 . 2 . . . . 26 ARG HB3 . 16120 1 180 . 1 1 26 26 ARG HD2 H 1 2.866 0.020 . 2 . . . . 26 ARG HD2 . 16120 1 181 . 1 1 26 26 ARG HD3 H 1 2.903 0.020 . 2 . . . . 26 ARG HD3 . 16120 1 182 . 1 1 26 26 ARG HG2 H 1 1.090 0.020 . 2 . . . . 26 ARG HG2 . 16120 1 183 . 1 1 26 26 ARG HG3 H 1 1.193 0.020 . 2 . . . . 26 ARG HG3 . 16120 1 184 . 1 1 26 26 ARG C C 13 176.453 0.3 . 1 . . . . 26 ARG C . 16120 1 185 . 1 1 26 26 ARG CA C 13 57.119 0.3 . 1 . . . . 26 ARG CA . 16120 1 186 . 1 1 26 26 ARG CB C 13 31.328 0.3 . 1 . . . . 26 ARG CB . 16120 1 187 . 1 1 26 26 ARG CD C 13 42.997 0.3 . 1 . . . . 26 ARG CD . 16120 1 188 . 1 1 26 26 ARG CG C 13 26.721 0.3 . 1 . . . . 26 ARG CG . 16120 1 189 . 1 1 26 26 ARG N N 15 116.627 0.3 . 1 . . . . 26 ARG N . 16120 1 190 . 1 1 27 27 PHE H H 1 8.397 0.020 . 1 . . . . 27 PHE H . 16120 1 191 . 1 1 27 27 PHE HA H 1 4.772 0.020 . 1 . . . . 27 PHE HA . 16120 1 192 . 1 1 27 27 PHE HB2 H 1 2.761 0.020 . 2 . . . . 27 PHE HB2 . 16120 1 193 . 1 1 27 27 PHE HB3 H 1 2.883 0.020 . 2 . . . . 27 PHE HB3 . 16120 1 194 . 1 1 27 27 PHE HD1 H 1 7.244 0.020 . 1 . . . . 27 PHE HD1 . 16120 1 195 . 1 1 27 27 PHE HD2 H 1 7.244 0.020 . 1 . . . . 27 PHE HD2 . 16120 1 196 . 1 1 27 27 PHE C C 13 174.907 0.3 . 1 . . . . 27 PHE C . 16120 1 197 . 1 1 27 27 PHE CA C 13 55.862 0.3 . 1 . . . . 27 PHE CA . 16120 1 198 . 1 1 27 27 PHE CB C 13 39.079 0.3 . 1 . . . . 27 PHE CB . 16120 1 199 . 1 1 27 27 PHE CD1 C 13 132.220 0.3 . 1 . . . . 27 PHE CD1 . 16120 1 200 . 1 1 27 27 PHE CD2 C 13 132.220 0.3 . 1 . . . . 27 PHE CD2 . 16120 1 201 . 1 1 27 27 PHE N N 15 119.056 0.3 . 1 . . . . 27 PHE N . 16120 1 202 . 1 1 28 28 LYS H H 1 8.149 0.020 . 1 . . . . 28 LYS H . 16120 1 203 . 1 1 28 28 LYS HA H 1 4.204 0.020 . 1 . . . . 28 LYS HA . 16120 1 204 . 1 1 28 28 LYS HB2 H 1 1.749 0.020 . 1 . . . . 28 LYS HB2 . 16120 1 205 . 1 1 28 28 LYS HB3 H 1 1.749 0.020 . 1 . . . . 28 LYS HB3 . 16120 1 206 . 1 1 28 28 LYS HD2 H 1 1.600 0.020 . 1 . . . . 28 LYS HD2 . 16120 1 207 . 1 1 28 28 LYS HD3 H 1 1.600 0.020 . 1 . . . . 28 LYS HD3 . 16120 1 208 . 1 1 28 28 LYS HE2 H 1 2.915 0.020 . 1 . . . . 28 LYS HE2 . 16120 1 209 . 1 1 28 28 LYS HE3 H 1 2.915 0.020 . 1 . . . . 28 LYS HE3 . 16120 1 210 . 1 1 28 28 LYS HG2 H 1 1.388 0.020 . 1 . . . . 28 LYS HG2 . 16120 1 211 . 1 1 28 28 LYS HG3 H 1 1.388 0.020 . 1 . . . . 28 LYS HG3 . 16120 1 212 . 1 1 28 28 LYS C C 13 177.226 0.3 . 1 . . . . 28 LYS C . 16120 1 213 . 1 1 28 28 LYS CA C 13 57.096 0.3 . 1 . . . . 28 LYS CA . 16120 1 214 . 1 1 28 28 LYS CB C 13 32.265 0.3 . 1 . . . . 28 LYS CB . 16120 1 215 . 1 1 28 28 LYS CD C 13 29.007 0.3 . 1 . . . . 28 LYS CD . 16120 1 216 . 1 1 28 28 LYS CE C 13 42.079 0.3 . 1 . . . . 28 LYS CE . 16120 1 217 . 1 1 28 28 LYS CG C 13 24.818 0.3 . 1 . . . . 28 LYS CG . 16120 1 218 . 1 1 28 28 LYS N N 15 119.924 0.3 . 1 . . . . 28 LYS N . 16120 1 219 . 1 1 29 29 ASN H H 1 8.743 0.020 . 1 . . . . 29 ASN H . 16120 1 220 . 1 1 29 29 ASN HA H 1 4.510 0.020 . 1 . . . . 29 ASN HA . 16120 1 221 . 1 1 29 29 ASN HB2 H 1 2.901 0.020 . 1 . . . . 29 ASN HB2 . 16120 1 222 . 1 1 29 29 ASN HB3 H 1 2.901 0.020 . 1 . . . . 29 ASN HB3 . 16120 1 223 . 1 1 29 29 ASN HD21 H 1 7.590 0.020 . 1 . . . . 29 ASN HD21 . 16120 1 224 . 1 1 29 29 ASN HD22 H 1 6.890 0.020 . 1 . . . . 29 ASN HD22 . 16120 1 225 . 1 1 29 29 ASN C C 13 175.008 0.3 . 1 . . . . 29 ASN C . 16120 1 226 . 1 1 29 29 ASN CA C 13 53.391 0.3 . 1 . . . . 29 ASN CA . 16120 1 227 . 1 1 29 29 ASN CB C 13 37.900 0.3 . 1 . . . . 29 ASN CB . 16120 1 228 . 1 1 29 29 ASN CG C 13 175.159 0.3 . 1 . . . . 29 ASN CG . 16120 1 229 . 1 1 29 29 ASN N N 15 116.177 0.3 . 1 . . . . 29 ASN N . 16120 1 230 . 1 1 29 29 ASN ND2 N 15 112.463 0.3 . 1 . . . . 29 ASN ND2 . 16120 1 231 . 1 1 30 30 ARG H H 1 7.628 0.020 . 1 . . . . 30 ARG H . 16120 1 232 . 1 1 30 30 ARG HA H 1 4.582 0.020 . 1 . . . . 30 ARG HA . 16120 1 233 . 1 1 30 30 ARG C C 13 174.223 0.3 . 1 . . . . 30 ARG C . 16120 1 234 . 1 1 30 30 ARG CA C 13 53.289 0.3 . 1 . . . . 30 ARG CA . 16120 1 235 . 1 1 30 30 ARG CB C 13 33.184 0.3 . 1 . . . . 30 ARG CB . 16120 1 236 . 1 1 30 30 ARG N N 15 116.920 0.3 . 1 . . . . 30 ARG N . 16120 1 237 . 1 1 31 31 ILE H H 1 9.175 0.020 . 1 . . . . 31 ILE H . 16120 1 238 . 1 1 31 31 ILE HA H 1 4.079 0.020 . 1 . . . . 31 ILE HA . 16120 1 239 . 1 1 31 31 ILE HB H 1 1.343 0.020 . 1 . . . . 31 ILE HB . 16120 1 240 . 1 1 31 31 ILE HD11 H 1 0.304 0.020 . 1 . . . . 31 ILE HD1 . 16120 1 241 . 1 1 31 31 ILE HD12 H 1 0.304 0.020 . 1 . . . . 31 ILE HD1 . 16120 1 242 . 1 1 31 31 ILE HD13 H 1 0.304 0.020 . 1 . . . . 31 ILE HD1 . 16120 1 243 . 1 1 31 31 ILE HG12 H 1 0.829 0.020 . 2 . . . . 31 ILE HG12 . 16120 1 244 . 1 1 31 31 ILE HG13 H 1 0.895 0.020 . 2 . . . . 31 ILE HG13 . 16120 1 245 . 1 1 31 31 ILE HG21 H 1 0.178 0.020 . 1 . . . . 31 ILE HG2 . 16120 1 246 . 1 1 31 31 ILE HG22 H 1 0.178 0.020 . 1 . . . . 31 ILE HG2 . 16120 1 247 . 1 1 31 31 ILE HG23 H 1 0.178 0.020 . 1 . . . . 31 ILE HG2 . 16120 1 248 . 1 1 31 31 ILE CA C 13 55.708 0.3 . 1 . . . . 31 ILE CA . 16120 1 249 . 1 1 31 31 ILE CB C 13 39.010 0.3 . 1 . . . . 31 ILE CB . 16120 1 250 . 1 1 31 31 ILE CD1 C 13 12.148 0.3 . 1 . . . . 31 ILE CD1 . 16120 1 251 . 1 1 31 31 ILE CG1 C 13 26.548 0.3 . 1 . . . . 31 ILE CG1 . 16120 1 252 . 1 1 31 31 ILE CG2 C 13 17.023 0.3 . 1 . . . . 31 ILE CG2 . 16120 1 253 . 1 1 31 31 ILE N N 15 121.362 0.3 . 1 . . . . 31 ILE N . 16120 1 254 . 1 1 32 32 PRO HA H 1 4.839 0.020 . 1 . . . . 32 PRO HA . 16120 1 255 . 1 1 32 32 PRO HB2 H 1 1.442 0.020 . 2 . . . . 32 PRO HB2 . 16120 1 256 . 1 1 32 32 PRO HB3 H 1 1.837 0.020 . 2 . . . . 32 PRO HB3 . 16120 1 257 . 1 1 32 32 PRO HD2 H 1 3.213 0.020 . 2 . . . . 32 PRO HD2 . 16120 1 258 . 1 1 32 32 PRO HD3 H 1 3.417 0.020 . 2 . . . . 32 PRO HD3 . 16120 1 259 . 1 1 32 32 PRO HG2 H 1 1.605 0.020 . 2 . . . . 32 PRO HG2 . 16120 1 260 . 1 1 32 32 PRO HG3 H 1 1.796 0.020 . 2 . . . . 32 PRO HG3 . 16120 1 261 . 1 1 32 32 PRO C C 13 174.235 0.3 . 1 . . . . 32 PRO C . 16120 1 262 . 1 1 32 32 PRO CA C 13 61.567 0.3 . 1 . . . . 32 PRO CA . 16120 1 263 . 1 1 32 32 PRO CB C 13 30.944 0.3 . 1 . . . . 32 PRO CB . 16120 1 264 . 1 1 32 32 PRO CD C 13 50.242 0.3 . 1 . . . . 32 PRO CD . 16120 1 265 . 1 1 32 32 PRO CG C 13 26.485 0.3 . 1 . . . . 32 PRO CG . 16120 1 266 . 1 1 33 33 VAL H H 1 8.919 0.020 . 1 . . . . 33 VAL H . 16120 1 267 . 1 1 33 33 VAL HA H 1 4.963 0.020 . 1 . . . . 33 VAL HA . 16120 1 268 . 1 1 33 33 VAL HB H 1 1.765 0.020 . 1 . . . . 33 VAL HB . 16120 1 269 . 1 1 33 33 VAL HG11 H 1 0.512 0.020 . 1 . . . . 33 VAL HG1 . 16120 1 270 . 1 1 33 33 VAL HG12 H 1 0.512 0.020 . 1 . . . . 33 VAL HG1 . 16120 1 271 . 1 1 33 33 VAL HG13 H 1 0.512 0.020 . 1 . . . . 33 VAL HG1 . 16120 1 272 . 1 1 33 33 VAL HG21 H 1 0.621 0.020 . 1 . . . . 33 VAL HG2 . 16120 1 273 . 1 1 33 33 VAL HG22 H 1 0.621 0.020 . 1 . . . . 33 VAL HG2 . 16120 1 274 . 1 1 33 33 VAL HG23 H 1 0.621 0.020 . 1 . . . . 33 VAL HG2 . 16120 1 275 . 1 1 33 33 VAL C C 13 174.179 0.3 . 1 . . . . 33 VAL C . 16120 1 276 . 1 1 33 33 VAL CA C 13 60.352 0.3 . 1 . . . . 33 VAL CA . 16120 1 277 . 1 1 33 33 VAL CB C 13 35.791 0.3 . 1 . . . . 33 VAL CB . 16120 1 278 . 1 1 33 33 VAL CG1 C 13 22.760 0.3 . 1 . . . . 33 VAL CG1 . 16120 1 279 . 1 1 33 33 VAL CG2 C 13 22.039 0.3 . 1 . . . . 33 VAL CG2 . 16120 1 280 . 1 1 33 33 VAL N N 15 126.573 0.3 . 1 . . . . 33 VAL N . 16120 1 281 . 1 1 34 34 ILE H H 1 8.778 0.020 . 1 . . . . 34 ILE H . 16120 1 282 . 1 1 34 34 ILE HA H 1 4.796 0.020 . 1 . . . . 34 ILE HA . 16120 1 283 . 1 1 34 34 ILE C C 13 174.828 0.3 . 1 . . . . 34 ILE C . 16120 1 284 . 1 1 34 34 ILE CA C 13 56.662 0.3 . 1 . . . . 34 ILE CA . 16120 1 285 . 1 1 34 34 ILE CB C 13 36.089 0.3 . 1 . . . . 34 ILE CB . 16120 1 286 . 1 1 34 34 ILE N N 15 127.592 0.3 . 1 . . . . 34 ILE N . 16120 1 287 . 1 1 35 35 CYS H H 1 9.492 0.020 . 1 . . . . 35 CYS H . 16120 1 288 . 1 1 35 35 CYS HA H 1 5.460 0.020 . 1 . . . . 35 CYS HA . 16120 1 289 . 1 1 35 35 CYS HB2 H 1 2.328 0.020 . 2 . . . . 35 CYS HB2 . 16120 1 290 . 1 1 35 35 CYS HB3 H 1 3.020 0.020 . 2 . . . . 35 CYS HB3 . 16120 1 291 . 1 1 35 35 CYS C C 13 173.226 0.3 . 1 . . . . 35 CYS C . 16120 1 292 . 1 1 35 35 CYS CA C 13 56.959 0.3 . 1 . . . . 35 CYS CA . 16120 1 293 . 1 1 35 35 CYS CB C 13 28.952 0.3 . 1 . . . . 35 CYS CB . 16120 1 294 . 1 1 35 35 CYS N N 15 128.605 0.3 . 1 . . . . 35 CYS N . 16120 1 295 . 1 1 36 36 GLU H H 1 8.458 0.020 . 1 . . . . 36 GLU H . 16120 1 296 . 1 1 36 36 GLU HA H 1 4.896 0.020 . 1 . . . . 36 GLU HA . 16120 1 297 . 1 1 36 36 GLU HB2 H 1 1.997 0.020 . 2 . . . . 36 GLU HB2 . 16120 1 298 . 1 1 36 36 GLU HB3 H 1 2.228 0.020 . 2 . . . . 36 GLU HB3 . 16120 1 299 . 1 1 36 36 GLU HG2 H 1 2.287 0.020 . 1 . . . . 36 GLU HG2 . 16120 1 300 . 1 1 36 36 GLU HG3 H 1 2.287 0.020 . 1 . . . . 36 GLU HG3 . 16120 1 301 . 1 1 36 36 GLU C C 13 174.123 0.3 . 1 . . . . 36 GLU C . 16120 1 302 . 1 1 36 36 GLU CA C 13 54.203 0.3 . 1 . . . . 36 GLU CA . 16120 1 303 . 1 1 36 36 GLU CB C 13 35.041 0.3 . 1 . . . . 36 GLU CB . 16120 1 304 . 1 1 36 36 GLU CG C 13 38.294 0.3 . 1 . . . . 36 GLU CG . 16120 1 305 . 1 1 36 36 GLU N N 15 124.230 0.3 . 1 . . . . 36 GLU N . 16120 1 306 . 1 1 37 37 LYS H H 1 8.951 0.020 . 1 . . . . 37 LYS H . 16120 1 307 . 1 1 37 37 LYS HA H 1 3.022 0.020 . 1 . . . . 37 LYS HA . 16120 1 308 . 1 1 37 37 LYS HB2 H 1 1.472 0.020 . 2 . . . . 37 LYS HB2 . 16120 1 309 . 1 1 37 37 LYS HB3 H 1 1.571 0.020 . 2 . . . . 37 LYS HB3 . 16120 1 310 . 1 1 37 37 LYS C C 13 177.315 0.3 . 1 . . . . 37 LYS C . 16120 1 311 . 1 1 37 37 LYS CA C 13 56.299 0.3 . 1 . . . . 37 LYS CA . 16120 1 312 . 1 1 37 37 LYS CB C 13 32.644 0.3 . 1 . . . . 37 LYS CB . 16120 1 313 . 1 1 37 37 LYS N N 15 123.612 0.3 . 1 . . . . 37 LYS N . 16120 1 314 . 1 1 38 38 ALA H H 1 8.499 0.020 . 1 . . . . 38 ALA H . 16120 1 315 . 1 1 38 38 ALA HA H 1 4.073 0.020 . 1 . . . . 38 ALA HA . 16120 1 316 . 1 1 38 38 ALA HB1 H 1 1.239 0.020 . 1 . . . . 38 ALA HB . 16120 1 317 . 1 1 38 38 ALA HB2 H 1 1.239 0.020 . 1 . . . . 38 ALA HB . 16120 1 318 . 1 1 38 38 ALA HB3 H 1 1.239 0.020 . 1 . . . . 38 ALA HB . 16120 1 319 . 1 1 38 38 ALA C C 13 178.122 0.3 . 1 . . . . 38 ALA C . 16120 1 320 . 1 1 38 38 ALA CA C 13 52.601 0.3 . 1 . . . . 38 ALA CA . 16120 1 321 . 1 1 38 38 ALA CB C 13 18.677 0.3 . 1 . . . . 38 ALA CB . 16120 1 322 . 1 1 38 38 ALA N N 15 129.302 0.3 . 1 . . . . 38 ALA N . 16120 1 323 . 1 1 39 39 GLU H H 1 8.544 0.020 . 1 . . . . 39 GLU H . 16120 1 324 . 1 1 39 39 GLU HA H 1 3.904 0.020 . 1 . . . . 39 GLU HA . 16120 1 325 . 1 1 39 39 GLU HB2 H 1 1.901 0.020 . 2 . . . . 39 GLU HB2 . 16120 1 326 . 1 1 39 39 GLU HB3 H 1 1.999 0.020 . 2 . . . . 39 GLU HB3 . 16120 1 327 . 1 1 39 39 GLU HG2 H 1 2.158 0.020 . 2 . . . . 39 GLU HG2 . 16120 1 328 . 1 1 39 39 GLU HG3 H 1 2.247 0.020 . 2 . . . . 39 GLU HG3 . 16120 1 329 . 1 1 39 39 GLU C C 13 177.315 0.3 . 1 . . . . 39 GLU C . 16120 1 330 . 1 1 39 39 GLU CA C 13 58.968 0.3 . 1 . . . . 39 GLU CA . 16120 1 331 . 1 1 39 39 GLU CB C 13 30.137 0.3 . 1 . . . . 39 GLU CB . 16120 1 332 . 1 1 39 39 GLU CG C 13 36.023 0.3 . 1 . . . . 39 GLU CG . 16120 1 333 . 1 1 39 39 GLU N N 15 124.503 0.3 . 1 . . . . 39 GLU N . 16120 1 334 . 1 1 40 40 LYS H H 1 8.472 0.020 . 1 . . . . 40 LYS H . 16120 1 335 . 1 1 40 40 LYS HA H 1 4.106 0.020 . 1 . . . . 40 LYS HA . 16120 1 336 . 1 1 40 40 LYS HB2 H 1 1.675 0.020 . 2 . . . . 40 LYS HB2 . 16120 1 337 . 1 1 40 40 LYS HB3 H 1 1.884 0.020 . 2 . . . . 40 LYS HB3 . 16120 1 338 . 1 1 40 40 LYS HD2 H 1 1.515 0.020 . 2 . . . . 40 LYS HD2 . 16120 1 339 . 1 1 40 40 LYS HD3 H 1 1.545 0.020 . 2 . . . . 40 LYS HD3 . 16120 1 340 . 1 1 40 40 LYS HE2 H 1 2.863 0.020 . 1 . . . . 40 LYS HE2 . 16120 1 341 . 1 1 40 40 LYS HE3 H 1 2.863 0.020 . 1 . . . . 40 LYS HE3 . 16120 1 342 . 1 1 40 40 LYS HG2 H 1 1.281 0.020 . 2 . . . . 40 LYS HG2 . 16120 1 343 . 1 1 40 40 LYS HG3 H 1 1.320 0.020 . 2 . . . . 40 LYS HG3 . 16120 1 344 . 1 1 40 40 LYS C C 13 176.072 0.3 . 1 . . . . 40 LYS C . 16120 1 345 . 1 1 40 40 LYS CA C 13 56.424 0.3 . 1 . . . . 40 LYS CA . 16120 1 346 . 1 1 40 40 LYS CB C 13 31.200 0.3 . 1 . . . . 40 LYS CB . 16120 1 347 . 1 1 40 40 LYS CD C 13 28.853 0.3 . 1 . . . . 40 LYS CD . 16120 1 348 . 1 1 40 40 LYS CE C 13 42.035 0.3 . 1 . . . . 40 LYS CE . 16120 1 349 . 1 1 40 40 LYS CG C 13 25.318 0.3 . 1 . . . . 40 LYS CG . 16120 1 350 . 1 1 40 40 LYS N N 15 115.328 0.3 . 1 . . . . 40 LYS N . 16120 1 351 . 1 1 41 41 SER H H 1 7.336 0.020 . 1 . . . . 41 SER H . 16120 1 352 . 1 1 41 41 SER HA H 1 4.463 0.020 . 1 . . . . 41 SER HA . 16120 1 353 . 1 1 41 41 SER HB2 H 1 3.664 0.020 . 1 . . . . 41 SER HB2 . 16120 1 354 . 1 1 41 41 SER HB3 H 1 3.664 0.020 . 1 . . . . 41 SER HB3 . 16120 1 355 . 1 1 41 41 SER C C 13 174.784 0.3 . 1 . . . . 41 SER C . 16120 1 356 . 1 1 41 41 SER CA C 13 57.819 0.3 . 1 . . . . 41 SER CA . 16120 1 357 . 1 1 41 41 SER CB C 13 64.841 0.3 . 1 . . . . 41 SER CB . 16120 1 358 . 1 1 41 41 SER N N 15 113.230 0.3 . 1 . . . . 41 SER N . 16120 1 359 . 1 1 42 42 ASP H H 1 8.683 0.020 . 1 . . . . 42 ASP H . 16120 1 360 . 1 1 42 42 ASP HA H 1 4.706 0.020 . 1 . . . . 42 ASP HA . 16120 1 361 . 1 1 42 42 ASP HB2 H 1 2.696 0.020 . 1 . . . . 42 ASP HB2 . 16120 1 362 . 1 1 42 42 ASP HB3 H 1 2.696 0.020 . 1 . . . . 42 ASP HB3 . 16120 1 363 . 1 1 42 42 ASP C C 13 175.131 0.3 . 1 . . . . 42 ASP C . 16120 1 364 . 1 1 42 42 ASP CA C 13 53.529 0.3 . 1 . . . . 42 ASP CA . 16120 1 365 . 1 1 42 42 ASP CB C 13 39.860 0.3 . 1 . . . . 42 ASP CB . 16120 1 366 . 1 1 42 42 ASP N N 15 127.118 0.3 . 1 . . . . 42 ASP N . 16120 1 367 . 1 1 43 43 ILE H H 1 7.626 0.020 . 1 . . . . 43 ILE H . 16120 1 368 . 1 1 43 43 ILE HA H 1 4.590 0.020 . 1 . . . . 43 ILE HA . 16120 1 369 . 1 1 43 43 ILE HB H 1 1.891 0.020 . 1 . . . . 43 ILE HB . 16120 1 370 . 1 1 43 43 ILE HD11 H 1 0.924 0.020 . 1 . . . . 43 ILE HD1 . 16120 1 371 . 1 1 43 43 ILE HD12 H 1 0.924 0.020 . 1 . . . . 43 ILE HD1 . 16120 1 372 . 1 1 43 43 ILE HD13 H 1 0.924 0.020 . 1 . . . . 43 ILE HD1 . 16120 1 373 . 1 1 43 43 ILE HG12 H 1 1.368 0.020 . 2 . . . . 43 ILE HG12 . 16120 1 374 . 1 1 43 43 ILE HG13 H 1 1.647 0.020 . 2 . . . . 43 ILE HG13 . 16120 1 375 . 1 1 43 43 ILE HG21 H 1 0.894 0.020 . 1 . . . . 43 ILE HG2 . 16120 1 376 . 1 1 43 43 ILE HG22 H 1 0.894 0.020 . 1 . . . . 43 ILE HG2 . 16120 1 377 . 1 1 43 43 ILE HG23 H 1 0.894 0.020 . 1 . . . . 43 ILE HG2 . 16120 1 378 . 1 1 43 43 ILE CA C 13 58.952 0.3 . 1 . . . . 43 ILE CA . 16120 1 379 . 1 1 43 43 ILE CB C 13 40.424 0.3 . 1 . . . . 43 ILE CB . 16120 1 380 . 1 1 43 43 ILE CD1 C 13 14.802 0.3 . 1 . . . . 43 ILE CD1 . 16120 1 381 . 1 1 43 43 ILE CG1 C 13 28.486 0.3 . 1 . . . . 43 ILE CG1 . 16120 1 382 . 1 1 43 43 ILE CG2 C 13 17.901 0.3 . 1 . . . . 43 ILE CG2 . 16120 1 383 . 1 1 43 43 ILE N N 15 123.074 0.3 . 1 . . . . 43 ILE N . 16120 1 384 . 1 1 44 44 PRO HA H 1 4.353 0.020 . 1 . . . . 44 PRO HA . 16120 1 385 . 1 1 44 44 PRO HB2 H 1 1.725 0.020 . 2 . . . . 44 PRO HB2 . 16120 1 386 . 1 1 44 44 PRO HB3 H 1 2.417 0.020 . 2 . . . . 44 PRO HB3 . 16120 1 387 . 1 1 44 44 PRO HD2 H 1 3.347 0.020 . 2 . . . . 44 PRO HD2 . 16120 1 388 . 1 1 44 44 PRO HD3 H 1 3.934 0.020 . 2 . . . . 44 PRO HD3 . 16120 1 389 . 1 1 44 44 PRO HG2 H 1 1.921 0.020 . 2 . . . . 44 PRO HG2 . 16120 1 390 . 1 1 44 44 PRO HG3 H 1 1.995 0.020 . 2 . . . . 44 PRO HG3 . 16120 1 391 . 1 1 44 44 PRO C C 13 175.893 0.3 . 1 . . . . 44 PRO C . 16120 1 392 . 1 1 44 44 PRO CA C 13 63.701 0.3 . 1 . . . . 44 PRO CA . 16120 1 393 . 1 1 44 44 PRO CB C 13 32.774 0.3 . 1 . . . . 44 PRO CB . 16120 1 394 . 1 1 44 44 PRO CD C 13 51.760 0.3 . 1 . . . . 44 PRO CD . 16120 1 395 . 1 1 44 44 PRO CG C 13 27.894 0.3 . 1 . . . . 44 PRO CG . 16120 1 396 . 1 1 45 45 GLU H H 1 8.372 0.020 . 1 . . . . 45 GLU H . 16120 1 397 . 1 1 45 45 GLU HA H 1 4.244 0.020 . 1 . . . . 45 GLU HA . 16120 1 398 . 1 1 45 45 GLU HB2 H 1 1.883 0.020 . 2 . . . . 45 GLU HB2 . 16120 1 399 . 1 1 45 45 GLU HB3 H 1 2.038 0.020 . 2 . . . . 45 GLU HB3 . 16120 1 400 . 1 1 45 45 GLU HG2 H 1 2.335 0.020 . 1 . . . . 45 GLU HG2 . 16120 1 401 . 1 1 45 45 GLU HG3 H 1 2.335 0.020 . 1 . . . . 45 GLU HG3 . 16120 1 402 . 1 1 45 45 GLU C C 13 175.254 0.3 . 1 . . . . 45 GLU C . 16120 1 403 . 1 1 45 45 GLU CA C 13 56.404 0.3 . 1 . . . . 45 GLU CA . 16120 1 404 . 1 1 45 45 GLU CB C 13 31.182 0.3 . 1 . . . . 45 GLU CB . 16120 1 405 . 1 1 45 45 GLU CG C 13 36.289 0.3 . 1 . . . . 45 GLU CG . 16120 1 406 . 1 1 45 45 GLU N N 15 120.364 0.3 . 1 . . . . 45 GLU N . 16120 1 407 . 1 1 46 46 ILE H H 1 8.052 0.020 . 1 . . . . 46 ILE H . 16120 1 408 . 1 1 46 46 ILE HA H 1 4.365 0.020 . 1 . . . . 46 ILE HA . 16120 1 409 . 1 1 46 46 ILE HB H 1 1.832 0.020 . 1 . . . . 46 ILE HB . 16120 1 410 . 1 1 46 46 ILE HD11 H 1 0.757 0.020 . 1 . . . . 46 ILE HD1 . 16120 1 411 . 1 1 46 46 ILE HD12 H 1 0.757 0.020 . 1 . . . . 46 ILE HD1 . 16120 1 412 . 1 1 46 46 ILE HD13 H 1 0.757 0.020 . 1 . . . . 46 ILE HD1 . 16120 1 413 . 1 1 46 46 ILE HG12 H 1 1.333 0.020 . 2 . . . . 46 ILE HG12 . 16120 1 414 . 1 1 46 46 ILE HG13 H 1 1.430 0.020 . 2 . . . . 46 ILE HG13 . 16120 1 415 . 1 1 46 46 ILE HG21 H 1 0.966 0.020 . 1 . . . . 46 ILE HG2 . 16120 1 416 . 1 1 46 46 ILE HG22 H 1 0.966 0.020 . 1 . . . . 46 ILE HG2 . 16120 1 417 . 1 1 46 46 ILE HG23 H 1 0.966 0.020 . 1 . . . . 46 ILE HG2 . 16120 1 418 . 1 1 46 46 ILE C C 13 174.761 0.3 . 1 . . . . 46 ILE C . 16120 1 419 . 1 1 46 46 ILE CA C 13 60.841 0.3 . 1 . . . . 46 ILE CA . 16120 1 420 . 1 1 46 46 ILE CB C 13 40.473 0.3 . 1 . . . . 46 ILE CB . 16120 1 421 . 1 1 46 46 ILE CD1 C 13 15.515 0.3 . 1 . . . . 46 ILE CD1 . 16120 1 422 . 1 1 46 46 ILE CG1 C 13 28.451 0.3 . 1 . . . . 46 ILE CG1 . 16120 1 423 . 1 1 46 46 ILE CG2 C 13 16.675 0.3 . 1 . . . . 46 ILE CG2 . 16120 1 424 . 1 1 46 46 ILE N N 15 123.423 0.3 . 1 . . . . 46 ILE N . 16120 1 425 . 1 1 47 47 ASP H H 1 8.447 0.020 . 1 . . . . 47 ASP H . 16120 1 426 . 1 1 47 47 ASP HA H 1 4.364 0.020 . 1 . . . . 47 ASP HA . 16120 1 427 . 1 1 47 47 ASP HB2 H 1 2.734 0.020 . 1 . . . . 47 ASP HB2 . 16120 1 428 . 1 1 47 47 ASP HB3 H 1 2.734 0.020 . 1 . . . . 47 ASP HB3 . 16120 1 429 . 1 1 47 47 ASP C C 13 175.590 0.3 . 1 . . . . 47 ASP C . 16120 1 430 . 1 1 47 47 ASP CA C 13 55.197 0.3 . 1 . . . . 47 ASP CA . 16120 1 431 . 1 1 47 47 ASP CB C 13 40.143 0.3 . 1 . . . . 47 ASP CB . 16120 1 432 . 1 1 47 47 ASP N N 15 123.081 0.3 . 1 . . . . 47 ASP N . 16120 1 433 . 1 1 48 48 LYS H H 1 7.223 0.020 . 1 . . . . 48 LYS H . 16120 1 434 . 1 1 48 48 LYS CA C 13 55.917 0.3 . 1 . . . . 48 LYS CA . 16120 1 435 . 1 1 48 48 LYS CB C 13 34.418 0.3 . 1 . . . . 48 LYS CB . 16120 1 436 . 1 1 48 48 LYS N N 15 121.559 0.3 . 1 . . . . 48 LYS N . 16120 1 437 . 1 1 50 50 LYS H H 1 7.262 0.020 . 1 . . . . 50 LYS H . 16120 1 438 . 1 1 50 50 LYS HA H 1 4.930 0.020 . 1 . . . . 50 LYS HA . 16120 1 439 . 1 1 50 50 LYS HB2 H 1 1.180 0.020 . 2 . . . . 50 LYS HB2 . 16120 1 440 . 1 1 50 50 LYS HB3 H 1 1.564 0.020 . 2 . . . . 50 LYS HB3 . 16120 1 441 . 1 1 50 50 LYS C C 13 174.604 0.3 . 1 . . . . 50 LYS C . 16120 1 442 . 1 1 50 50 LYS CA C 13 55.079 0.3 . 1 . . . . 50 LYS CA . 16120 1 443 . 1 1 50 50 LYS CB C 13 33.731 0.3 . 1 . . . . 50 LYS CB . 16120 1 444 . 1 1 50 50 LYS N N 15 120.715 0.3 . 1 . . . . 50 LYS N . 16120 1 445 . 1 1 51 51 TYR H H 1 9.566 0.020 . 1 . . . . 51 TYR H . 16120 1 446 . 1 1 51 51 TYR HA H 1 4.392 0.020 . 1 . . . . 51 TYR HA . 16120 1 447 . 1 1 51 51 TYR HB2 H 1 2.562 0.020 . 2 . . . . 51 TYR HB2 . 16120 1 448 . 1 1 51 51 TYR HB3 H 1 2.733 0.020 . 2 . . . . 51 TYR HB3 . 16120 1 449 . 1 1 51 51 TYR HD1 H 1 6.967 0.020 . 1 . . . . 51 TYR HD1 . 16120 1 450 . 1 1 51 51 TYR HD2 H 1 6.967 0.020 . 1 . . . . 51 TYR HD2 . 16120 1 451 . 1 1 51 51 TYR HE1 H 1 6.533 0.020 . 1 . . . . 51 TYR HE1 . 16120 1 452 . 1 1 51 51 TYR HE2 H 1 6.533 0.020 . 1 . . . . 51 TYR HE2 . 16120 1 453 . 1 1 51 51 TYR C C 13 173.630 0.3 . 1 . . . . 51 TYR C . 16120 1 454 . 1 1 51 51 TYR CA C 13 57.217 0.3 . 1 . . . . 51 TYR CA . 16120 1 455 . 1 1 51 51 TYR CB C 13 42.359 0.3 . 1 . . . . 51 TYR CB . 16120 1 456 . 1 1 51 51 TYR CD1 C 13 132.475 0.3 . 1 . . . . 51 TYR CD1 . 16120 1 457 . 1 1 51 51 TYR CD2 C 13 132.475 0.3 . 1 . . . . 51 TYR CD2 . 16120 1 458 . 1 1 51 51 TYR CE1 C 13 118.104 0.3 . 1 . . . . 51 TYR CE1 . 16120 1 459 . 1 1 51 51 TYR CE2 C 13 118.104 0.3 . 1 . . . . 51 TYR CE2 . 16120 1 460 . 1 1 51 51 TYR N N 15 125.529 0.3 . 1 . . . . 51 TYR N . 16120 1 461 . 1 1 52 52 LEU H H 1 8.538 0.020 . 1 . . . . 52 LEU H . 16120 1 462 . 1 1 52 52 LEU HA H 1 4.717 0.020 . 1 . . . . 52 LEU HA . 16120 1 463 . 1 1 52 52 LEU HB2 H 1 0.821 0.020 . 2 . . . . 52 LEU HB2 . 16120 1 464 . 1 1 52 52 LEU HB3 H 1 1.511 0.020 . 2 . . . . 52 LEU HB3 . 16120 1 465 . 1 1 52 52 LEU HD11 H 1 0.370 0.020 . 1 . . . . 52 LEU HD1 . 16120 1 466 . 1 1 52 52 LEU HD12 H 1 0.370 0.020 . 1 . . . . 52 LEU HD1 . 16120 1 467 . 1 1 52 52 LEU HD13 H 1 0.370 0.020 . 1 . . . . 52 LEU HD1 . 16120 1 468 . 1 1 52 52 LEU HD21 H 1 0.422 0.020 . 1 . . . . 52 LEU HD2 . 16120 1 469 . 1 1 52 52 LEU HD22 H 1 0.422 0.020 . 1 . . . . 52 LEU HD2 . 16120 1 470 . 1 1 52 52 LEU HD23 H 1 0.422 0.020 . 1 . . . . 52 LEU HD2 . 16120 1 471 . 1 1 52 52 LEU HG H 1 1.225 0.020 . 1 . . . . 52 LEU HG . 16120 1 472 . 1 1 52 52 LEU C C 13 176.531 0.3 . 1 . . . . 52 LEU C . 16120 1 473 . 1 1 52 52 LEU CA C 13 53.168 0.3 . 1 . . . . 52 LEU CA . 16120 1 474 . 1 1 52 52 LEU CB C 13 41.317 0.3 . 1 . . . . 52 LEU CB . 16120 1 475 . 1 1 52 52 LEU CD1 C 13 24.380 0.3 . 1 . . . . 52 LEU CD1 . 16120 1 476 . 1 1 52 52 LEU CD2 C 13 24.624 0.3 . 1 . . . . 52 LEU CD2 . 16120 1 477 . 1 1 52 52 LEU CG C 13 27.341 0.3 . 1 . . . . 52 LEU CG . 16120 1 478 . 1 1 52 52 LEU N N 15 124.141 0.3 . 1 . . . . 52 LEU N . 16120 1 479 . 1 1 53 53 VAL H H 1 8.672 0.020 . 1 . . . . 53 VAL H . 16120 1 480 . 1 1 53 53 VAL HA H 1 4.511 0.020 . 1 . . . . 53 VAL HA . 16120 1 481 . 1 1 53 53 VAL HB H 1 1.863 0.020 . 1 . . . . 53 VAL HB . 16120 1 482 . 1 1 53 53 VAL HG11 H 1 0.608 0.020 . 1 . . . . 53 VAL HG1 . 16120 1 483 . 1 1 53 53 VAL HG12 H 1 0.608 0.020 . 1 . . . . 53 VAL HG1 . 16120 1 484 . 1 1 53 53 VAL HG13 H 1 0.608 0.020 . 1 . . . . 53 VAL HG1 . 16120 1 485 . 1 1 53 53 VAL HG21 H 1 0.854 0.020 . 1 . . . . 53 VAL HG2 . 16120 1 486 . 1 1 53 53 VAL HG22 H 1 0.854 0.020 . 1 . . . . 53 VAL HG2 . 16120 1 487 . 1 1 53 53 VAL HG23 H 1 0.854 0.020 . 1 . . . . 53 VAL HG2 . 16120 1 488 . 1 1 53 53 VAL CA C 13 59.439 0.3 . 1 . . . . 53 VAL CA . 16120 1 489 . 1 1 53 53 VAL CB C 13 33.754 0.3 . 1 . . . . 53 VAL CB . 16120 1 490 . 1 1 53 53 VAL CG1 C 13 22.305 0.3 . 1 . . . . 53 VAL CG1 . 16120 1 491 . 1 1 53 53 VAL CG2 C 13 21.607 0.3 . 1 . . . . 53 VAL CG2 . 16120 1 492 . 1 1 53 53 VAL N N 15 124.343 0.3 . 1 . . . . 53 VAL N . 16120 1 493 . 1 1 54 54 PRO HA H 1 4.461 0.020 . 1 . . . . 54 PRO HA . 16120 1 494 . 1 1 54 54 PRO HB2 H 1 1.984 0.020 . 2 . . . . 54 PRO HB2 . 16120 1 495 . 1 1 54 54 PRO HB3 H 1 2.438 0.020 . 2 . . . . 54 PRO HB3 . 16120 1 496 . 1 1 54 54 PRO HD2 H 1 3.546 0.020 . 2 . . . . 54 PRO HD2 . 16120 1 497 . 1 1 54 54 PRO HD3 H 1 4.061 0.020 . 2 . . . . 54 PRO HD3 . 16120 1 498 . 1 1 54 54 PRO C C 13 176.744 0.3 . 1 . . . . 54 PRO C . 16120 1 499 . 1 1 54 54 PRO CA C 13 63.750 0.3 . 1 . . . . 54 PRO CA . 16120 1 500 . 1 1 54 54 PRO CB C 13 32.275 0.3 . 1 . . . . 54 PRO CB . 16120 1 501 . 1 1 54 54 PRO CD C 13 51.343 0.3 . 1 . . . . 54 PRO CD . 16120 1 502 . 1 1 55 55 ALA H H 1 7.865 0.020 . 1 . . . . 55 ALA H . 16120 1 503 . 1 1 55 55 ALA HA H 1 3.703 0.020 . 1 . . . . 55 ALA HA . 16120 1 504 . 1 1 55 55 ALA HB1 H 1 1.218 0.020 . 1 . . . . 55 ALA HB . 16120 1 505 . 1 1 55 55 ALA HB2 H 1 1.218 0.020 . 1 . . . . 55 ALA HB . 16120 1 506 . 1 1 55 55 ALA HB3 H 1 1.218 0.020 . 1 . . . . 55 ALA HB . 16120 1 507 . 1 1 55 55 ALA C C 13 176.173 0.3 . 1 . . . . 55 ALA C . 16120 1 508 . 1 1 55 55 ALA CA C 13 54.418 0.3 . 1 . . . . 55 ALA CA . 16120 1 509 . 1 1 55 55 ALA CB C 13 18.800 0.3 . 1 . . . . 55 ALA CB . 16120 1 510 . 1 1 55 55 ALA N N 15 123.634 0.3 . 1 . . . . 55 ALA N . 16120 1 511 . 1 1 56 56 ASP H H 1 8.161 0.020 . 1 . . . . 56 ASP H . 16120 1 512 . 1 1 56 56 ASP HA H 1 4.542 0.020 . 1 . . . . 56 ASP HA . 16120 1 513 . 1 1 56 56 ASP HB2 H 1 2.537 0.020 . 2 . . . . 56 ASP HB2 . 16120 1 514 . 1 1 56 56 ASP HB3 H 1 2.821 0.020 . 2 . . . . 56 ASP HB3 . 16120 1 515 . 1 1 56 56 ASP C C 13 175.881 0.3 . 1 . . . . 56 ASP C . 16120 1 516 . 1 1 56 56 ASP CA C 13 52.541 0.3 . 1 . . . . 56 ASP CA . 16120 1 517 . 1 1 56 56 ASP CB C 13 39.725 0.3 . 1 . . . . 56 ASP CB . 16120 1 518 . 1 1 56 56 ASP N N 15 111.448 0.3 . 1 . . . . 56 ASP N . 16120 1 519 . 1 1 57 57 LEU H H 1 7.322 0.020 . 1 . . . . 57 LEU H . 16120 1 520 . 1 1 57 57 LEU HA H 1 4.361 0.020 . 1 . . . . 57 LEU HA . 16120 1 521 . 1 1 57 57 LEU HB2 H 1 1.510 0.020 . 2 . . . . 57 LEU HB2 . 16120 1 522 . 1 1 57 57 LEU HB3 H 1 1.636 0.020 . 2 . . . . 57 LEU HB3 . 16120 1 523 . 1 1 57 57 LEU HD11 H 1 0.856 0.020 . 1 . . . . 57 LEU HD1 . 16120 1 524 . 1 1 57 57 LEU HD12 H 1 0.856 0.020 . 1 . . . . 57 LEU HD1 . 16120 1 525 . 1 1 57 57 LEU HD13 H 1 0.856 0.020 . 1 . . . . 57 LEU HD1 . 16120 1 526 . 1 1 57 57 LEU HD21 H 1 0.887 0.020 . 1 . . . . 57 LEU HD2 . 16120 1 527 . 1 1 57 57 LEU HD22 H 1 0.887 0.020 . 1 . . . . 57 LEU HD2 . 16120 1 528 . 1 1 57 57 LEU HD23 H 1 0.887 0.020 . 1 . . . . 57 LEU HD2 . 16120 1 529 . 1 1 57 57 LEU HG H 1 2.021 0.020 . 1 . . . . 57 LEU HG . 16120 1 530 . 1 1 57 57 LEU C C 13 177.707 0.3 . 1 . . . . 57 LEU C . 16120 1 531 . 1 1 57 57 LEU CA C 13 55.494 0.3 . 1 . . . . 57 LEU CA . 16120 1 532 . 1 1 57 57 LEU CB C 13 43.328 0.3 . 1 . . . . 57 LEU CB . 16120 1 533 . 1 1 57 57 LEU CD1 C 13 24.722 0.3 . 1 . . . . 57 LEU CD1 . 16120 1 534 . 1 1 57 57 LEU CG C 13 27.025 0.3 . 1 . . . . 57 LEU CG . 16120 1 535 . 1 1 57 57 LEU N N 15 120.926 0.3 . 1 . . . . 57 LEU N . 16120 1 536 . 1 1 58 58 THR H H 1 8.419 0.020 . 1 . . . . 58 THR H . 16120 1 537 . 1 1 58 58 THR HA H 1 5.160 0.020 . 1 . . . . 58 THR HA . 16120 1 538 . 1 1 58 58 THR HB H 1 4.085 0.020 . 1 . . . . 58 THR HB . 16120 1 539 . 1 1 58 58 THR HG21 H 1 1.153 0.020 . 1 . . . . 58 THR HG2 . 16120 1 540 . 1 1 58 58 THR HG22 H 1 1.153 0.020 . 1 . . . . 58 THR HG2 . 16120 1 541 . 1 1 58 58 THR HG23 H 1 1.153 0.020 . 1 . . . . 58 THR HG2 . 16120 1 542 . 1 1 58 58 THR C C 13 176.453 0.3 . 1 . . . . 58 THR C . 16120 1 543 . 1 1 58 58 THR CA C 13 60.232 0.3 . 1 . . . . 58 THR CA . 16120 1 544 . 1 1 58 58 THR CB C 13 71.608 0.3 . 1 . . . . 58 THR CB . 16120 1 545 . 1 1 58 58 THR CG2 C 13 22.486 0.3 . 1 . . . . 58 THR CG2 . 16120 1 546 . 1 1 58 58 THR N N 15 114.042 0.3 . 1 . . . . 58 THR N . 16120 1 547 . 1 1 59 59 VAL H H 1 8.810 0.020 . 1 . . . . 59 VAL H . 16120 1 548 . 1 1 59 59 VAL HA H 1 3.677 0.020 . 1 . . . . 59 VAL HA . 16120 1 549 . 1 1 59 59 VAL HB H 1 2.256 0.020 . 1 . . . . 59 VAL HB . 16120 1 550 . 1 1 59 59 VAL HG11 H 1 0.765 0.020 . 1 . . . . 59 VAL HG1 . 16120 1 551 . 1 1 59 59 VAL HG12 H 1 0.765 0.020 . 1 . . . . 59 VAL HG1 . 16120 1 552 . 1 1 59 59 VAL HG13 H 1 0.765 0.020 . 1 . . . . 59 VAL HG1 . 16120 1 553 . 1 1 59 59 VAL HG21 H 1 0.886 0.020 . 1 . . . . 59 VAL HG2 . 16120 1 554 . 1 1 59 59 VAL HG22 H 1 0.886 0.020 . 1 . . . . 59 VAL HG2 . 16120 1 555 . 1 1 59 59 VAL HG23 H 1 0.886 0.020 . 1 . . . . 59 VAL HG2 . 16120 1 556 . 1 1 59 59 VAL C C 13 178.671 0.3 . 1 . . . . 59 VAL C . 16120 1 557 . 1 1 59 59 VAL CA C 13 66.757 0.3 . 1 . . . . 59 VAL CA . 16120 1 558 . 1 1 59 59 VAL CB C 13 31.692 0.3 . 1 . . . . 59 VAL CB . 16120 1 559 . 1 1 59 59 VAL CG1 C 13 21.349 0.3 . 1 . . . . 59 VAL CG1 . 16120 1 560 . 1 1 59 59 VAL CG2 C 13 23.963 0.3 . 1 . . . . 59 VAL CG2 . 16120 1 561 . 1 1 59 59 VAL N N 15 122.549 0.3 . 1 . . . . 59 VAL N . 16120 1 562 . 1 1 60 60 GLY H H 1 9.323 0.020 . 1 . . . . 60 GLY H . 16120 1 563 . 1 1 60 60 GLY HA2 H 1 3.650 0.020 . 2 . . . . 60 GLY HA2 . 16120 1 564 . 1 1 60 60 GLY HA3 H 1 3.844 0.020 . 2 . . . . 60 GLY HA3 . 16120 1 565 . 1 1 60 60 GLY C C 13 176.867 0.3 . 1 . . . . 60 GLY C . 16120 1 566 . 1 1 60 60 GLY CA C 13 47.159 0.3 . 1 . . . . 60 GLY CA . 16120 1 567 . 1 1 60 60 GLY N N 15 105.295 0.3 . 1 . . . . 60 GLY N . 16120 1 568 . 1 1 61 61 GLN H H 1 7.985 0.020 . 1 . . . . 61 GLN H . 16120 1 569 . 1 1 61 61 GLN HA H 1 4.082 0.020 . 1 . . . . 61 GLN HA . 16120 1 570 . 1 1 61 61 GLN HB2 H 1 2.015 0.020 . 2 . . . . 61 GLN HB2 . 16120 1 571 . 1 1 61 61 GLN HB3 H 1 2.414 0.020 . 2 . . . . 61 GLN HB3 . 16120 1 572 . 1 1 61 61 GLN HE21 H 1 7.473 0.020 . 1 . . . . 61 GLN HE21 . 16120 1 573 . 1 1 61 61 GLN HE22 H 1 6.788 0.020 . 1 . . . . 61 GLN HE22 . 16120 1 574 . 1 1 61 61 GLN HG2 H 1 2.377 0.020 . 1 . . . . 61 GLN HG2 . 16120 1 575 . 1 1 61 61 GLN HG3 H 1 2.377 0.020 . 1 . . . . 61 GLN HG3 . 16120 1 576 . 1 1 61 61 GLN C C 13 179.264 0.3 . 1 . . . . 61 GLN C . 16120 1 577 . 1 1 61 61 GLN CA C 13 58.532 0.3 . 1 . . . . 61 GLN CA . 16120 1 578 . 1 1 61 61 GLN CB C 13 28.966 0.3 . 1 . . . . 61 GLN CB . 16120 1 579 . 1 1 61 61 GLN CD C 13 177.534 0.3 . 1 . . . . 61 GLN CD . 16120 1 580 . 1 1 61 61 GLN CG C 13 34.979 0.3 . 1 . . . . 61 GLN CG . 16120 1 581 . 1 1 61 61 GLN N N 15 120.877 0.3 . 1 . . . . 61 GLN N . 16120 1 582 . 1 1 61 61 GLN NE2 N 15 111.219 0.3 . 1 . . . . 61 GLN NE2 . 16120 1 583 . 1 1 62 62 PHE H H 1 8.661 0.020 . 1 . . . . 62 PHE H . 16120 1 584 . 1 1 62 62 PHE HA H 1 4.223 0.020 . 1 . . . . 62 PHE HA . 16120 1 585 . 1 1 62 62 PHE HB2 H 1 2.999 0.020 . 2 . . . . 62 PHE HB2 . 16120 1 586 . 1 1 62 62 PHE HB3 H 1 3.293 0.020 . 2 . . . . 62 PHE HB3 . 16120 1 587 . 1 1 62 62 PHE HD1 H 1 6.856 0.020 . 1 . . . . 62 PHE HD1 . 16120 1 588 . 1 1 62 62 PHE HD2 H 1 6.856 0.020 . 1 . . . . 62 PHE HD2 . 16120 1 589 . 1 1 62 62 PHE HE1 H 1 6.669 0.020 . 1 . . . . 62 PHE HE1 . 16120 1 590 . 1 1 62 62 PHE HE2 H 1 6.669 0.020 . 1 . . . . 62 PHE HE2 . 16120 1 591 . 1 1 62 62 PHE HZ H 1 6.222 0.020 . 1 . . . . 62 PHE HZ . 16120 1 592 . 1 1 62 62 PHE C C 13 176.688 0.3 . 1 . . . . 62 PHE C . 16120 1 593 . 1 1 62 62 PHE CA C 13 60.923 0.3 . 1 . . . . 62 PHE CA . 16120 1 594 . 1 1 62 62 PHE CB C 13 38.819 0.3 . 1 . . . . 62 PHE CB . 16120 1 595 . 1 1 62 62 PHE CD1 C 13 130.665 0.3 . 1 . . . . 62 PHE CD1 . 16120 1 596 . 1 1 62 62 PHE CD2 C 13 130.665 0.3 . 1 . . . . 62 PHE CD2 . 16120 1 597 . 1 1 62 62 PHE CE1 C 13 130.491 0.3 . 1 . . . . 62 PHE CE1 . 16120 1 598 . 1 1 62 62 PHE CE2 C 13 130.491 0.3 . 1 . . . . 62 PHE CE2 . 16120 1 599 . 1 1 62 62 PHE CZ C 13 128.938 0.3 . 1 . . . . 62 PHE CZ . 16120 1 600 . 1 1 62 62 PHE N N 15 124.058 0.3 . 1 . . . . 62 PHE N . 16120 1 601 . 1 1 63 63 VAL H H 1 8.549 0.020 . 1 . . . . 63 VAL H . 16120 1 602 . 1 1 63 63 VAL HA H 1 2.964 0.020 . 1 . . . . 63 VAL HA . 16120 1 603 . 1 1 63 63 VAL HB H 1 2.084 0.020 . 1 . . . . 63 VAL HB . 16120 1 604 . 1 1 63 63 VAL HG11 H 1 0.619 0.020 . 1 . . . . 63 VAL HG1 . 16120 1 605 . 1 1 63 63 VAL HG12 H 1 0.619 0.020 . 1 . . . . 63 VAL HG1 . 16120 1 606 . 1 1 63 63 VAL HG13 H 1 0.619 0.020 . 1 . . . . 63 VAL HG1 . 16120 1 607 . 1 1 63 63 VAL HG21 H 1 0.921 0.020 . 1 . . . . 63 VAL HG2 . 16120 1 608 . 1 1 63 63 VAL HG22 H 1 0.921 0.020 . 1 . . . . 63 VAL HG2 . 16120 1 609 . 1 1 63 63 VAL HG23 H 1 0.921 0.020 . 1 . . . . 63 VAL HG2 . 16120 1 610 . 1 1 63 63 VAL C C 13 177.069 0.3 . 1 . . . . 63 VAL C . 16120 1 611 . 1 1 63 63 VAL CA C 13 67.088 0.3 . 1 . . . . 63 VAL CA . 16120 1 612 . 1 1 63 63 VAL CB C 13 30.784 0.3 . 1 . . . . 63 VAL CB . 16120 1 613 . 1 1 63 63 VAL CG1 C 13 21.961 0.3 . 1 . . . . 63 VAL CG1 . 16120 1 614 . 1 1 63 63 VAL CG2 C 13 23.769 0.3 . 1 . . . . 63 VAL CG2 . 16120 1 615 . 1 1 63 63 VAL N N 15 119.332 0.3 . 1 . . . . 63 VAL N . 16120 1 616 . 1 1 64 64 TYR H H 1 7.128 0.020 . 1 . . . . 64 TYR H . 16120 1 617 . 1 1 64 64 TYR HA H 1 3.947 0.020 . 1 . . . . 64 TYR HA . 16120 1 618 . 1 1 64 64 TYR HB2 H 1 3.026 0.020 . 2 . . . . 64 TYR HB2 . 16120 1 619 . 1 1 64 64 TYR HB3 H 1 3.120 0.020 . 2 . . . . 64 TYR HB3 . 16120 1 620 . 1 1 64 64 TYR HD1 H 1 7.118 0.020 . 1 . . . . 64 TYR HD1 . 16120 1 621 . 1 1 64 64 TYR HD2 H 1 7.118 0.020 . 1 . . . . 64 TYR HD2 . 16120 1 622 . 1 1 64 64 TYR HE1 H 1 6.746 0.020 . 1 . . . . 64 TYR HE1 . 16120 1 623 . 1 1 64 64 TYR HE2 H 1 6.746 0.020 . 1 . . . . 64 TYR HE2 . 16120 1 624 . 1 1 64 64 TYR C C 13 177.427 0.3 . 1 . . . . 64 TYR C . 16120 1 625 . 1 1 64 64 TYR CA C 13 61.543 0.3 . 1 . . . . 64 TYR CA . 16120 1 626 . 1 1 64 64 TYR CB C 13 37.686 0.3 . 1 . . . . 64 TYR CB . 16120 1 627 . 1 1 64 64 TYR CD1 C 13 132.839 0.3 . 1 . . . . 64 TYR CD1 . 16120 1 628 . 1 1 64 64 TYR CD2 C 13 132.839 0.3 . 1 . . . . 64 TYR CD2 . 16120 1 629 . 1 1 64 64 TYR CE1 C 13 118.127 0.3 . 1 . . . . 64 TYR CE1 . 16120 1 630 . 1 1 64 64 TYR CE2 C 13 118.127 0.3 . 1 . . . . 64 TYR CE2 . 16120 1 631 . 1 1 64 64 TYR N N 15 117.495 0.3 . 1 . . . . 64 TYR N . 16120 1 632 . 1 1 65 65 VAL H H 1 7.299 0.020 . 1 . . . . 65 VAL H . 16120 1 633 . 1 1 65 65 VAL HA H 1 3.364 0.020 . 1 . . . . 65 VAL HA . 16120 1 634 . 1 1 65 65 VAL HB H 1 2.155 0.020 . 1 . . . . 65 VAL HB . 16120 1 635 . 1 1 65 65 VAL HG11 H 1 0.750 0.020 . 1 . . . . 65 VAL HG1 . 16120 1 636 . 1 1 65 65 VAL HG12 H 1 0.750 0.020 . 1 . . . . 65 VAL HG1 . 16120 1 637 . 1 1 65 65 VAL HG13 H 1 0.750 0.020 . 1 . . . . 65 VAL HG1 . 16120 1 638 . 1 1 65 65 VAL HG21 H 1 1.077 0.020 . 1 . . . . 65 VAL HG2 . 16120 1 639 . 1 1 65 65 VAL HG22 H 1 1.077 0.020 . 1 . . . . 65 VAL HG2 . 16120 1 640 . 1 1 65 65 VAL HG23 H 1 1.077 0.020 . 1 . . . . 65 VAL HG2 . 16120 1 641 . 1 1 65 65 VAL C C 13 178.794 0.3 . 1 . . . . 65 VAL C . 16120 1 642 . 1 1 65 65 VAL CA C 13 66.515 0.3 . 1 . . . . 65 VAL CA . 16120 1 643 . 1 1 65 65 VAL CB C 13 30.973 0.3 . 1 . . . . 65 VAL CB . 16120 1 644 . 1 1 65 65 VAL CG1 C 13 20.790 0.3 . 1 . . . . 65 VAL CG1 . 16120 1 645 . 1 1 65 65 VAL CG2 C 13 22.303 0.3 . 1 . . . . 65 VAL CG2 . 16120 1 646 . 1 1 65 65 VAL N N 15 119.945 0.3 . 1 . . . . 65 VAL N . 16120 1 647 . 1 1 66 66 ILE H H 1 7.172 0.020 . 1 . . . . 66 ILE H . 16120 1 648 . 1 1 66 66 ILE HA H 1 3.263 0.020 . 1 . . . . 66 ILE HA . 16120 1 649 . 1 1 66 66 ILE HB H 1 1.362 0.020 . 1 . . . . 66 ILE HB . 16120 1 650 . 1 1 66 66 ILE HD11 H 1 -0.092 0.020 . 1 . . . . 66 ILE HD1 . 16120 1 651 . 1 1 66 66 ILE HD12 H 1 -0.092 0.020 . 1 . . . . 66 ILE HD1 . 16120 1 652 . 1 1 66 66 ILE HD13 H 1 -0.092 0.020 . 1 . . . . 66 ILE HD1 . 16120 1 653 . 1 1 66 66 ILE HG12 H 1 0.304 0.020 . 2 . . . . 66 ILE HG12 . 16120 1 654 . 1 1 66 66 ILE HG13 H 1 0.489 0.020 . 2 . . . . 66 ILE HG13 . 16120 1 655 . 1 1 66 66 ILE HG21 H 1 -0.105 0.020 . 1 . . . . 66 ILE HG2 . 16120 1 656 . 1 1 66 66 ILE HG22 H 1 -0.105 0.020 . 1 . . . . 66 ILE HG2 . 16120 1 657 . 1 1 66 66 ILE HG23 H 1 -0.105 0.020 . 1 . . . . 66 ILE HG2 . 16120 1 658 . 1 1 66 66 ILE C C 13 177.707 0.3 . 1 . . . . 66 ILE C . 16120 1 659 . 1 1 66 66 ILE CA C 13 63.751 0.3 . 1 . . . . 66 ILE CA . 16120 1 660 . 1 1 66 66 ILE CB C 13 36.500 0.3 . 1 . . . . 66 ILE CB . 16120 1 661 . 1 1 66 66 ILE CD1 C 13 12.062 0.3 . 1 . . . . 66 ILE CD1 . 16120 1 662 . 1 1 66 66 ILE CG1 C 13 26.185 0.3 . 1 . . . . 66 ILE CG1 . 16120 1 663 . 1 1 66 66 ILE CG2 C 13 16.824 0.3 . 1 . . . . 66 ILE CG2 . 16120 1 664 . 1 1 66 66 ILE N N 15 118.275 0.3 . 1 . . . . 66 ILE N . 16120 1 665 . 1 1 67 67 ARG H H 1 8.473 0.020 . 1 . . . . 67 ARG H . 16120 1 666 . 1 1 67 67 ARG HA H 1 3.329 0.020 . 1 . . . . 67 ARG HA . 16120 1 667 . 1 1 67 67 ARG HB2 H 1 1.633 0.020 . 2 . . . . 67 ARG HB2 . 16120 1 668 . 1 1 67 67 ARG HB3 H 1 1.650 0.020 . 2 . . . . 67 ARG HB3 . 16120 1 669 . 1 1 67 67 ARG HD2 H 1 2.972 0.020 . 1 . . . . 67 ARG HD2 . 16120 1 670 . 1 1 67 67 ARG HD3 H 1 2.972 0.020 . 1 . . . . 67 ARG HD3 . 16120 1 671 . 1 1 67 67 ARG HG2 H 1 1.549 0.020 . 1 . . . . 67 ARG HG2 . 16120 1 672 . 1 1 67 67 ARG HG3 H 1 1.549 0.020 . 1 . . . . 67 ARG HG3 . 16120 1 673 . 1 1 67 67 ARG C C 13 178.234 0.3 . 1 . . . . 67 ARG C . 16120 1 674 . 1 1 67 67 ARG CA C 13 60.046 0.3 . 1 . . . . 67 ARG CA . 16120 1 675 . 1 1 67 67 ARG CB C 13 30.134 0.3 . 1 . . . . 67 ARG CB . 16120 1 676 . 1 1 67 67 ARG CD C 13 42.261 0.3 . 1 . . . . 67 ARG CD . 16120 1 677 . 1 1 67 67 ARG CG C 13 29.402 0.3 . 1 . . . . 67 ARG CG . 16120 1 678 . 1 1 67 67 ARG N N 15 119.083 0.3 . 1 . . . . 67 ARG N . 16120 1 679 . 1 1 68 68 LYS H H 1 7.536 0.020 . 1 . . . . 68 LYS H . 16120 1 680 . 1 1 68 68 LYS HA H 1 3.934 0.020 . 1 . . . . 68 LYS HA . 16120 1 681 . 1 1 68 68 LYS HB2 H 1 1.674 0.020 . 2 . . . . 68 LYS HB2 . 16120 1 682 . 1 1 68 68 LYS HB3 H 1 1.703 0.020 . 2 . . . . 68 LYS HB3 . 16120 1 683 . 1 1 68 68 LYS HD2 H 1 1.528 0.020 . 1 . . . . 68 LYS HD2 . 16120 1 684 . 1 1 68 68 LYS HD3 H 1 1.528 0.020 . 1 . . . . 68 LYS HD3 . 16120 1 685 . 1 1 68 68 LYS HE2 H 1 2.795 0.020 . 2 . . . . 68 LYS HE2 . 16120 1 686 . 1 1 68 68 LYS HE3 H 1 2.854 0.020 . 2 . . . . 68 LYS HE3 . 16120 1 687 . 1 1 68 68 LYS HG2 H 1 1.233 0.020 . 2 . . . . 68 LYS HG2 . 16120 1 688 . 1 1 68 68 LYS HG3 H 1 1.293 0.020 . 2 . . . . 68 LYS HG3 . 16120 1 689 . 1 1 68 68 LYS C C 13 178.637 0.3 . 1 . . . . 68 LYS C . 16120 1 690 . 1 1 68 68 LYS CA C 13 58.072 0.3 . 1 . . . . 68 LYS CA . 16120 1 691 . 1 1 68 68 LYS CB C 13 31.976 0.3 . 1 . . . . 68 LYS CB . 16120 1 692 . 1 1 68 68 LYS CD C 13 28.816 0.3 . 1 . . . . 68 LYS CD . 16120 1 693 . 1 1 68 68 LYS CE C 13 41.899 0.3 . 1 . . . . 68 LYS CE . 16120 1 694 . 1 1 68 68 LYS CG C 13 24.650 0.3 . 1 . . . . 68 LYS CG . 16120 1 695 . 1 1 68 68 LYS N N 15 115.817 0.3 . 1 . . . . 68 LYS N . 16120 1 696 . 1 1 69 69 ARG H H 1 7.613 0.020 . 1 . . . . 69 ARG H . 16120 1 697 . 1 1 69 69 ARG HA H 1 4.090 0.020 . 1 . . . . 69 ARG HA . 16120 1 698 . 1 1 69 69 ARG HB2 H 1 1.846 0.020 . 1 . . . . 69 ARG HB2 . 16120 1 699 . 1 1 69 69 ARG HB3 H 1 1.846 0.020 . 1 . . . . 69 ARG HB3 . 16120 1 700 . 1 1 69 69 ARG C C 13 177.819 0.3 . 1 . . . . 69 ARG C . 16120 1 701 . 1 1 69 69 ARG CA C 13 57.830 0.3 . 1 . . . . 69 ARG CA . 16120 1 702 . 1 1 69 69 ARG CB C 13 30.137 0.3 . 1 . . . . 69 ARG CB . 16120 1 703 . 1 1 69 69 ARG N N 15 118.496 0.3 . 1 . . . . 69 ARG N . 16120 1 704 . 1 1 70 70 ILE H H 1 7.642 0.020 . 1 . . . . 70 ILE H . 16120 1 705 . 1 1 70 70 ILE HA H 1 4.179 0.020 . 1 . . . . 70 ILE HA . 16120 1 706 . 1 1 70 70 ILE HB H 1 1.763 0.020 . 1 . . . . 70 ILE HB . 16120 1 707 . 1 1 70 70 ILE HD11 H 1 0.457 0.020 . 1 . . . . 70 ILE HD1 . 16120 1 708 . 1 1 70 70 ILE HD12 H 1 0.457 0.020 . 1 . . . . 70 ILE HD1 . 16120 1 709 . 1 1 70 70 ILE HD13 H 1 0.457 0.020 . 1 . . . . 70 ILE HD1 . 16120 1 710 . 1 1 70 70 ILE HG12 H 1 1.066 0.020 . 2 . . . . 70 ILE HG12 . 16120 1 711 . 1 1 70 70 ILE HG13 H 1 1.222 0.020 . 2 . . . . 70 ILE HG13 . 16120 1 712 . 1 1 70 70 ILE HG21 H 1 0.696 0.020 . 1 . . . . 70 ILE HG2 . 16120 1 713 . 1 1 70 70 ILE HG22 H 1 0.696 0.020 . 1 . . . . 70 ILE HG2 . 16120 1 714 . 1 1 70 70 ILE HG23 H 1 0.696 0.020 . 1 . . . . 70 ILE HG2 . 16120 1 715 . 1 1 70 70 ILE C C 13 174.459 0.3 . 1 . . . . 70 ILE C . 16120 1 716 . 1 1 70 70 ILE CA C 13 61.312 0.3 . 1 . . . . 70 ILE CA . 16120 1 717 . 1 1 70 70 ILE CB C 13 38.769 0.3 . 1 . . . . 70 ILE CB . 16120 1 718 . 1 1 70 70 ILE CD1 C 13 14.518 0.3 . 1 . . . . 70 ILE CD1 . 16120 1 719 . 1 1 70 70 ILE CG1 C 13 26.216 0.3 . 1 . . . . 70 ILE CG1 . 16120 1 720 . 1 1 70 70 ILE CG2 C 13 17.664 0.3 . 1 . . . . 70 ILE CG2 . 16120 1 721 . 1 1 70 70 ILE N N 15 112.343 0.3 . 1 . . . . 70 ILE N . 16120 1 722 . 1 1 71 71 MET H H 1 7.798 0.020 . 1 . . . . 71 MET H . 16120 1 723 . 1 1 71 71 MET HA H 1 3.966 0.020 . 1 . . . . 71 MET HA . 16120 1 724 . 1 1 71 71 MET HB2 H 1 2.048 0.020 . 2 . . . . 71 MET HB2 . 16120 1 725 . 1 1 71 71 MET HB3 H 1 2.140 0.020 . 2 . . . . 71 MET HB3 . 16120 1 726 . 1 1 71 71 MET HG2 H 1 2.411 0.020 . 1 . . . . 71 MET HG2 . 16120 1 727 . 1 1 71 71 MET HG3 H 1 2.411 0.020 . 1 . . . . 71 MET HG3 . 16120 1 728 . 1 1 71 71 MET C C 13 175.321 0.3 . 1 . . . . 71 MET C . 16120 1 729 . 1 1 71 71 MET CA C 13 55.632 0.3 . 1 . . . . 71 MET CA . 16120 1 730 . 1 1 71 71 MET CB C 13 29.254 0.3 . 1 . . . . 71 MET CB . 16120 1 731 . 1 1 71 71 MET CG C 13 32.160 0.3 . 1 . . . . 71 MET CG . 16120 1 732 . 1 1 71 71 MET N N 15 118.722 0.3 . 1 . . . . 71 MET N . 16120 1 733 . 1 1 72 72 LEU H H 1 7.416 0.020 . 1 . . . . 72 LEU H . 16120 1 734 . 1 1 72 72 LEU HA H 1 4.563 0.020 . 1 . . . . 72 LEU HA . 16120 1 735 . 1 1 72 72 LEU HB2 H 1 1.167 0.020 . 2 . . . . 72 LEU HB2 . 16120 1 736 . 1 1 72 72 LEU HB3 H 1 1.507 0.020 . 2 . . . . 72 LEU HB3 . 16120 1 737 . 1 1 72 72 LEU HD11 H 1 0.834 0.020 . 1 . . . . 72 LEU HD1 . 16120 1 738 . 1 1 72 72 LEU HD12 H 1 0.834 0.020 . 1 . . . . 72 LEU HD1 . 16120 1 739 . 1 1 72 72 LEU HD13 H 1 0.834 0.020 . 1 . . . . 72 LEU HD1 . 16120 1 740 . 1 1 72 72 LEU HD21 H 1 0.834 0.020 . 1 . . . . 72 LEU HD2 . 16120 1 741 . 1 1 72 72 LEU HD22 H 1 0.834 0.020 . 1 . . . . 72 LEU HD2 . 16120 1 742 . 1 1 72 72 LEU HD23 H 1 0.834 0.020 . 1 . . . . 72 LEU HD2 . 16120 1 743 . 1 1 72 72 LEU HG H 1 0.704 0.020 . 1 . . . . 72 LEU HG . 16120 1 744 . 1 1 72 72 LEU CA C 13 52.368 0.3 . 1 . . . . 72 LEU CA . 16120 1 745 . 1 1 72 72 LEU CB C 13 44.074 0.3 . 1 . . . . 72 LEU CB . 16120 1 746 . 1 1 72 72 LEU CD1 C 13 25.282 0.3 . 1 . . . . 72 LEU CD1 . 16120 1 747 . 1 1 72 72 LEU CD2 C 13 25.282 0.3 . 1 . . . . 72 LEU CD2 . 16120 1 748 . 1 1 72 72 LEU CG C 13 25.843 0.3 . 1 . . . . 72 LEU CG . 16120 1 749 . 1 1 72 72 LEU N N 15 122.076 0.3 . 1 . . . . 72 LEU N . 16120 1 750 . 1 1 73 73 PRO HA H 1 4.624 0.020 . 1 . . . . 73 PRO HA . 16120 1 751 . 1 1 73 73 PRO HB2 H 1 1.972 0.020 . 2 . . . . 73 PRO HB2 . 16120 1 752 . 1 1 73 73 PRO HB3 H 1 2.422 0.020 . 2 . . . . 73 PRO HB3 . 16120 1 753 . 1 1 73 73 PRO HD2 H 1 3.439 0.020 . 2 . . . . 73 PRO HD2 . 16120 1 754 . 1 1 73 73 PRO HD3 H 1 4.033 0.020 . 2 . . . . 73 PRO HD3 . 16120 1 755 . 1 1 73 73 PRO HG2 H 1 1.958 0.020 . 2 . . . . 73 PRO HG2 . 16120 1 756 . 1 1 73 73 PRO HG3 H 1 2.050 0.020 . 2 . . . . 73 PRO HG3 . 16120 1 757 . 1 1 73 73 PRO CA C 13 62.033 0.3 . 1 . . . . 73 PRO CA . 16120 1 758 . 1 1 73 73 PRO CB C 13 31.241 0.3 . 1 . . . . 73 PRO CB . 16120 1 759 . 1 1 73 73 PRO CD C 13 51.234 0.3 . 1 . . . . 73 PRO CD . 16120 1 760 . 1 1 73 73 PRO CG C 13 27.657 0.3 . 1 . . . . 73 PRO CG . 16120 1 761 . 1 1 74 74 PRO HA H 1 4.049 0.020 . 1 . . . . 74 PRO HA . 16120 1 762 . 1 1 74 74 PRO HB2 H 1 1.881 0.020 . 2 . . . . 74 PRO HB2 . 16120 1 763 . 1 1 74 74 PRO HB3 H 1 2.257 0.020 . 2 . . . . 74 PRO HB3 . 16120 1 764 . 1 1 74 74 PRO HD2 H 1 3.722 0.020 . 1 . . . . 74 PRO HD2 . 16120 1 765 . 1 1 74 74 PRO HD3 H 1 3.722 0.020 . 1 . . . . 74 PRO HD3 . 16120 1 766 . 1 1 74 74 PRO HG2 H 1 1.987 0.020 . 2 . . . . 74 PRO HG2 . 16120 1 767 . 1 1 74 74 PRO HG3 H 1 2.044 0.020 . 2 . . . . 74 PRO HG3 . 16120 1 768 . 1 1 74 74 PRO C C 13 176.949 0.3 . 1 . . . . 74 PRO C . 16120 1 769 . 1 1 74 74 PRO CA C 13 64.821 0.3 . 1 . . . . 74 PRO CA . 16120 1 770 . 1 1 74 74 PRO CB C 13 31.942 0.3 . 1 . . . . 74 PRO CB . 16120 1 771 . 1 1 74 74 PRO CD C 13 50.590 0.3 . 1 . . . . 74 PRO CD . 16120 1 772 . 1 1 74 74 PRO CG C 13 27.385 0.3 . 1 . . . . 74 PRO CG . 16120 1 773 . 1 1 75 75 GLU H H 1 9.038 0.020 . 1 . . . . 75 GLU H . 16120 1 774 . 1 1 75 75 GLU HA H 1 4.108 0.020 . 1 . . . . 75 GLU HA . 16120 1 775 . 1 1 75 75 GLU HB2 H 1 1.967 0.020 . 2 . . . . 75 GLU HB2 . 16120 1 776 . 1 1 75 75 GLU HB3 H 1 2.004 0.020 . 2 . . . . 75 GLU HB3 . 16120 1 777 . 1 1 75 75 GLU HG2 H 1 2.124 0.020 . 2 . . . . 75 GLU HG2 . 16120 1 778 . 1 1 75 75 GLU HG3 H 1 2.221 0.020 . 2 . . . . 75 GLU HG3 . 16120 1 779 . 1 1 75 75 GLU C C 13 176.385 0.3 . 1 . . . . 75 GLU C . 16120 1 780 . 1 1 75 75 GLU CA C 13 57.683 0.3 . 1 . . . . 75 GLU CA . 16120 1 781 . 1 1 75 75 GLU CB C 13 28.215 0.3 . 1 . . . . 75 GLU CB . 16120 1 782 . 1 1 75 75 GLU CG C 13 36.008 0.3 . 1 . . . . 75 GLU CG . 16120 1 783 . 1 1 75 75 GLU N N 15 115.154 0.3 . 1 . . . . 75 GLU N . 16120 1 784 . 1 1 76 76 LYS H H 1 7.728 0.020 . 1 . . . . 76 LYS H . 16120 1 785 . 1 1 76 76 LYS HA H 1 4.443 0.020 . 1 . . . . 76 LYS HA . 16120 1 786 . 1 1 76 76 LYS HB2 H 1 1.692 0.020 . 2 . . . . 76 LYS HB2 . 16120 1 787 . 1 1 76 76 LYS HB3 H 1 1.867 0.020 . 2 . . . . 76 LYS HB3 . 16120 1 788 . 1 1 76 76 LYS HD2 H 1 1.616 0.020 . 1 . . . . 76 LYS HD2 . 16120 1 789 . 1 1 76 76 LYS HD3 H 1 1.616 0.020 . 1 . . . . 76 LYS HD3 . 16120 1 790 . 1 1 76 76 LYS HG2 H 1 1.341 0.020 . 2 . . . . 76 LYS HG2 . 16120 1 791 . 1 1 76 76 LYS HG3 H 1 1.399 0.020 . 2 . . . . 76 LYS HG3 . 16120 1 792 . 1 1 76 76 LYS C C 13 174.761 0.3 . 1 . . . . 76 LYS C . 16120 1 793 . 1 1 76 76 LYS CA C 13 54.674 0.3 . 1 . . . . 76 LYS CA . 16120 1 794 . 1 1 76 76 LYS CB C 13 32.699 0.3 . 1 . . . . 76 LYS CB . 16120 1 795 . 1 1 76 76 LYS CD C 13 29.100 0.3 . 1 . . . . 76 LYS CD . 16120 1 796 . 1 1 76 76 LYS CG C 13 25.127 0.3 . 1 . . . . 76 LYS CG . 16120 1 797 . 1 1 76 76 LYS N N 15 121.749 0.3 . 1 . . . . 76 LYS N . 16120 1 798 . 1 1 77 77 ALA H H 1 8.384 0.020 . 1 . . . . 77 ALA H . 16120 1 799 . 1 1 77 77 ALA HA H 1 3.977 0.020 . 1 . . . . 77 ALA HA . 16120 1 800 . 1 1 77 77 ALA HB1 H 1 1.155 0.020 . 1 . . . . 77 ALA HB . 16120 1 801 . 1 1 77 77 ALA HB2 H 1 1.155 0.020 . 1 . . . . 77 ALA HB . 16120 1 802 . 1 1 77 77 ALA HB3 H 1 1.155 0.020 . 1 . . . . 77 ALA HB . 16120 1 803 . 1 1 77 77 ALA C C 13 175.657 0.3 . 1 . . . . 77 ALA C . 16120 1 804 . 1 1 77 77 ALA CA C 13 52.199 0.3 . 1 . . . . 77 ALA CA . 16120 1 805 . 1 1 77 77 ALA CB C 13 20.783 0.3 . 1 . . . . 77 ALA CB . 16120 1 806 . 1 1 77 77 ALA N N 15 128.038 0.3 . 1 . . . . 77 ALA N . 16120 1 807 . 1 1 78 78 ILE H H 1 7.126 0.020 . 1 . . . . 78 ILE H . 16120 1 808 . 1 1 78 78 ILE HA H 1 4.500 0.020 . 1 . . . . 78 ILE HA . 16120 1 809 . 1 1 78 78 ILE HB H 1 1.329 0.020 . 1 . . . . 78 ILE HB . 16120 1 810 . 1 1 78 78 ILE HD11 H 1 0.451 0.020 . 1 . . . . 78 ILE HD1 . 16120 1 811 . 1 1 78 78 ILE HD12 H 1 0.451 0.020 . 1 . . . . 78 ILE HD1 . 16120 1 812 . 1 1 78 78 ILE HD13 H 1 0.451 0.020 . 1 . . . . 78 ILE HD1 . 16120 1 813 . 1 1 78 78 ILE HG12 H 1 0.720 0.020 . 1 . . . . 78 ILE HG12 . 16120 1 814 . 1 1 78 78 ILE HG13 H 1 0.720 0.020 . 1 . . . . 78 ILE HG13 . 16120 1 815 . 1 1 78 78 ILE HG21 H 1 0.552 0.020 . 1 . . . . 78 ILE HG2 . 16120 1 816 . 1 1 78 78 ILE HG22 H 1 0.552 0.020 . 1 . . . . 78 ILE HG2 . 16120 1 817 . 1 1 78 78 ILE HG23 H 1 0.552 0.020 . 1 . . . . 78 ILE HG2 . 16120 1 818 . 1 1 78 78 ILE C C 13 172.431 0.3 . 1 . . . . 78 ILE C . 16120 1 819 . 1 1 78 78 ILE CA C 13 59.687 0.3 . 1 . . . . 78 ILE CA . 16120 1 820 . 1 1 78 78 ILE CB C 13 41.112 0.3 . 1 . . . . 78 ILE CB . 16120 1 821 . 1 1 78 78 ILE CD1 C 13 13.805 0.3 . 1 . . . . 78 ILE CD1 . 16120 1 822 . 1 1 78 78 ILE CG1 C 13 27.737 0.3 . 1 . . . . 78 ILE CG1 . 16120 1 823 . 1 1 78 78 ILE CG2 C 13 16.680 0.3 . 1 . . . . 78 ILE CG2 . 16120 1 824 . 1 1 78 78 ILE N N 15 114.297 0.3 . 1 . . . . 78 ILE N . 16120 1 825 . 1 1 79 79 PHE H H 1 8.881 0.020 . 1 . . . . 79 PHE H . 16120 1 826 . 1 1 79 79 PHE HA H 1 4.469 0.020 . 1 . . . . 79 PHE HA . 16120 1 827 . 1 1 79 79 PHE HB2 H 1 2.408 0.020 . 2 . . . . 79 PHE HB2 . 16120 1 828 . 1 1 79 79 PHE HB3 H 1 2.523 0.020 . 2 . . . . 79 PHE HB3 . 16120 1 829 . 1 1 79 79 PHE HD1 H 1 6.909 0.020 . 1 . . . . 79 PHE HD1 . 16120 1 830 . 1 1 79 79 PHE HD2 H 1 6.909 0.020 . 1 . . . . 79 PHE HD2 . 16120 1 831 . 1 1 79 79 PHE HE1 H 1 7.147 0.020 . 1 . . . . 79 PHE HE1 . 16120 1 832 . 1 1 79 79 PHE HE2 H 1 7.147 0.020 . 1 . . . . 79 PHE HE2 . 16120 1 833 . 1 1 79 79 PHE C C 13 174.291 0.3 . 1 . . . . 79 PHE C . 16120 1 834 . 1 1 79 79 PHE CA C 13 56.473 0.3 . 1 . . . . 79 PHE CA . 16120 1 835 . 1 1 79 79 PHE CB C 13 42.322 0.3 . 1 . . . . 79 PHE CB . 16120 1 836 . 1 1 79 79 PHE CD1 C 13 132.035 0.3 . 1 . . . . 79 PHE CD1 . 16120 1 837 . 1 1 79 79 PHE CD2 C 13 132.035 0.3 . 1 . . . . 79 PHE CD2 . 16120 1 838 . 1 1 79 79 PHE CE1 C 13 131.122 0.3 . 1 . . . . 79 PHE CE1 . 16120 1 839 . 1 1 79 79 PHE CE2 C 13 131.122 0.3 . 1 . . . . 79 PHE CE2 . 16120 1 840 . 1 1 79 79 PHE N N 15 124.055 0.3 . 1 . . . . 79 PHE N . 16120 1 841 . 1 1 80 80 ILE H H 1 7.940 0.020 . 1 . . . . 80 ILE H . 16120 1 842 . 1 1 80 80 ILE HA H 1 5.129 0.020 . 1 . . . . 80 ILE HA . 16120 1 843 . 1 1 80 80 ILE HB H 1 1.727 0.020 . 1 . . . . 80 ILE HB . 16120 1 844 . 1 1 80 80 ILE HD11 H 1 0.709 0.020 . 1 . . . . 80 ILE HD1 . 16120 1 845 . 1 1 80 80 ILE HD12 H 1 0.709 0.020 . 1 . . . . 80 ILE HD1 . 16120 1 846 . 1 1 80 80 ILE HD13 H 1 0.709 0.020 . 1 . . . . 80 ILE HD1 . 16120 1 847 . 1 1 80 80 ILE HG12 H 1 1.075 0.020 . 2 . . . . 80 ILE HG12 . 16120 1 848 . 1 1 80 80 ILE HG13 H 1 1.279 0.020 . 2 . . . . 80 ILE HG13 . 16120 1 849 . 1 1 80 80 ILE HG21 H 1 0.715 0.020 . 1 . . . . 80 ILE HG2 . 16120 1 850 . 1 1 80 80 ILE HG22 H 1 0.715 0.020 . 1 . . . . 80 ILE HG2 . 16120 1 851 . 1 1 80 80 ILE HG23 H 1 0.715 0.020 . 1 . . . . 80 ILE HG2 . 16120 1 852 . 1 1 80 80 ILE C C 13 173.188 0.3 . 1 . . . . 80 ILE C . 16120 1 853 . 1 1 80 80 ILE CA C 13 58.089 0.3 . 1 . . . . 80 ILE CA . 16120 1 854 . 1 1 80 80 ILE CB C 13 39.270 0.3 . 1 . . . . 80 ILE CB . 16120 1 855 . 1 1 80 80 ILE CD1 C 13 12.839 0.3 . 1 . . . . 80 ILE CD1 . 16120 1 856 . 1 1 80 80 ILE CG1 C 13 26.684 0.3 . 1 . . . . 80 ILE CG1 . 16120 1 857 . 1 1 80 80 ILE CG2 C 13 17.258 0.3 . 1 . . . . 80 ILE CG2 . 16120 1 858 . 1 1 80 80 ILE N N 15 117.567 0.3 . 1 . . . . 80 ILE N . 16120 1 859 . 1 1 81 81 PHE H H 1 9.132 0.020 . 1 . . . . 81 PHE H . 16120 1 860 . 1 1 81 81 PHE HA H 1 5.275 0.020 . 1 . . . . 81 PHE HA . 16120 1 861 . 1 1 81 81 PHE HB2 H 1 2.817 0.020 . 2 . . . . 81 PHE HB2 . 16120 1 862 . 1 1 81 81 PHE HB3 H 1 2.899 0.020 . 2 . . . . 81 PHE HB3 . 16120 1 863 . 1 1 81 81 PHE HD1 H 1 6.915 0.020 . 1 . . . . 81 PHE HD1 . 16120 1 864 . 1 1 81 81 PHE HD2 H 1 6.915 0.020 . 1 . . . . 81 PHE HD2 . 16120 1 865 . 1 1 81 81 PHE HE1 H 1 6.668 0.020 . 1 . . . . 81 PHE HE1 . 16120 1 866 . 1 1 81 81 PHE HE2 H 1 6.668 0.020 . 1 . . . . 81 PHE HE2 . 16120 1 867 . 1 1 81 81 PHE C C 13 176.117 0.3 . 1 . . . . 81 PHE C . 16120 1 868 . 1 1 81 81 PHE CA C 13 55.856 0.3 . 1 . . . . 81 PHE CA . 16120 1 869 . 1 1 81 81 PHE CB C 13 42.634 0.3 . 1 . . . . 81 PHE CB . 16120 1 870 . 1 1 81 81 PHE CD1 C 13 131.564 0.3 . 1 . . . . 81 PHE CD1 . 16120 1 871 . 1 1 81 81 PHE CD2 C 13 131.564 0.3 . 1 . . . . 81 PHE CD2 . 16120 1 872 . 1 1 81 81 PHE N N 15 120.877 0.3 . 1 . . . . 81 PHE N . 16120 1 873 . 1 1 82 82 VAL H H 1 8.754 0.020 . 1 . . . . 82 VAL H . 16120 1 874 . 1 1 82 82 VAL HA H 1 4.440 0.020 . 1 . . . . 82 VAL HA . 16120 1 875 . 1 1 82 82 VAL HB H 1 1.505 0.020 . 1 . . . . 82 VAL HB . 16120 1 876 . 1 1 82 82 VAL HG11 H 1 0.598 0.020 . 1 . . . . 82 VAL HG1 . 16120 1 877 . 1 1 82 82 VAL HG12 H 1 0.598 0.020 . 1 . . . . 82 VAL HG1 . 16120 1 878 . 1 1 82 82 VAL HG13 H 1 0.598 0.020 . 1 . . . . 82 VAL HG1 . 16120 1 879 . 1 1 82 82 VAL HG21 H 1 0.669 0.020 . 1 . . . . 82 VAL HG2 . 16120 1 880 . 1 1 82 82 VAL HG22 H 1 0.669 0.020 . 1 . . . . 82 VAL HG2 . 16120 1 881 . 1 1 82 82 VAL HG23 H 1 0.669 0.020 . 1 . . . . 82 VAL HG2 . 16120 1 882 . 1 1 82 82 VAL C C 13 175.646 0.3 . 1 . . . . 82 VAL C . 16120 1 883 . 1 1 82 82 VAL CA C 13 60.373 0.3 . 1 . . . . 82 VAL CA . 16120 1 884 . 1 1 82 82 VAL CB C 13 34.203 0.3 . 1 . . . . 82 VAL CB . 16120 1 885 . 1 1 82 82 VAL CG1 C 13 21.307 0.3 . 1 . . . . 82 VAL CG1 . 16120 1 886 . 1 1 82 82 VAL CG2 C 13 20.575 0.3 . 1 . . . . 82 VAL CG2 . 16120 1 887 . 1 1 82 82 VAL N N 15 117.932 0.3 . 1 . . . . 82 VAL N . 16120 1 888 . 1 1 83 83 ASN H H 1 9.650 0.020 . 1 . . . . 83 ASN H . 16120 1 889 . 1 1 83 83 ASN HA H 1 4.277 0.020 . 1 . . . . 83 ASN HA . 16120 1 890 . 1 1 83 83 ASN HB2 H 1 2.733 0.020 . 2 . . . . 83 ASN HB2 . 16120 1 891 . 1 1 83 83 ASN HB3 H 1 2.984 0.020 . 2 . . . . 83 ASN HB3 . 16120 1 892 . 1 1 83 83 ASN HD21 H 1 8.696 0.020 . 1 . . . . 83 ASN HD21 . 16120 1 893 . 1 1 83 83 ASN HD22 H 1 7.082 0.020 . 1 . . . . 83 ASN HD22 . 16120 1 894 . 1 1 83 83 ASN C C 13 174.459 0.3 . 1 . . . . 83 ASN C . 16120 1 895 . 1 1 83 83 ASN CA C 13 55.104 0.3 . 1 . . . . 83 ASN CA . 16120 1 896 . 1 1 83 83 ASN CB C 13 37.309 0.3 . 1 . . . . 83 ASN CB . 16120 1 897 . 1 1 83 83 ASN CG C 13 175.260 0.3 . 1 . . . . 83 ASN CG . 16120 1 898 . 1 1 83 83 ASN N N 15 127.681 0.3 . 1 . . . . 83 ASN N . 16120 1 899 . 1 1 83 83 ASN ND2 N 15 116.071 0.3 . 1 . . . . 83 ASN ND2 . 16120 1 900 . 1 1 84 84 ASP H H 1 8.727 0.020 . 1 . . . . 84 ASP H . 16120 1 901 . 1 1 84 84 ASP HA H 1 4.079 0.020 . 1 . . . . 84 ASP HA . 16120 1 902 . 1 1 84 84 ASP HB2 H 1 2.620 0.020 . 2 . . . . 84 ASP HB2 . 16120 1 903 . 1 1 84 84 ASP HB3 H 1 2.759 0.020 . 2 . . . . 84 ASP HB3 . 16120 1 904 . 1 1 84 84 ASP C C 13 174.459 0.3 . 1 . . . . 84 ASP C . 16120 1 905 . 1 1 84 84 ASP CA C 13 55.578 0.3 . 1 . . . . 84 ASP CA . 16120 1 906 . 1 1 84 84 ASP CB C 13 39.511 0.3 . 1 . . . . 84 ASP CB . 16120 1 907 . 1 1 84 84 ASP N N 15 112.496 0.3 . 1 . . . . 84 ASP N . 16120 1 908 . 1 1 85 85 THR H H 1 8.025 0.020 . 1 . . . . 85 THR H . 16120 1 909 . 1 1 85 85 THR HA H 1 4.657 0.020 . 1 . . . . 85 THR HA . 16120 1 910 . 1 1 85 85 THR HB H 1 4.068 0.020 . 1 . . . . 85 THR HB . 16120 1 911 . 1 1 85 85 THR HG21 H 1 1.152 0.020 . 1 . . . . 85 THR HG2 . 16120 1 912 . 1 1 85 85 THR HG22 H 1 1.152 0.020 . 1 . . . . 85 THR HG2 . 16120 1 913 . 1 1 85 85 THR HG23 H 1 1.152 0.020 . 1 . . . . 85 THR HG2 . 16120 1 914 . 1 1 85 85 THR C C 13 172.129 0.3 . 1 . . . . 85 THR C . 16120 1 915 . 1 1 85 85 THR CA C 13 60.738 0.3 . 1 . . . . 85 THR CA . 16120 1 916 . 1 1 85 85 THR CB C 13 72.075 0.3 . 1 . . . . 85 THR CB . 16120 1 917 . 1 1 85 85 THR CG2 C 13 21.177 0.3 . 1 . . . . 85 THR CG2 . 16120 1 918 . 1 1 85 85 THR N N 15 112.504 0.3 . 1 . . . . 85 THR N . 16120 1 919 . 1 1 86 86 LEU H H 1 8.474 0.020 . 1 . . . . 86 LEU H . 16120 1 920 . 1 1 86 86 LEU HA H 1 5.030 0.020 . 1 . . . . 86 LEU HA . 16120 1 921 . 1 1 86 86 LEU HB2 H 1 1.367 0.020 . 2 . . . . 86 LEU HB2 . 16120 1 922 . 1 1 86 86 LEU HB3 H 1 1.621 0.020 . 2 . . . . 86 LEU HB3 . 16120 1 923 . 1 1 86 86 LEU HD11 H 1 0.573 0.020 . 1 . . . . 86 LEU HD1 . 16120 1 924 . 1 1 86 86 LEU HD12 H 1 0.573 0.020 . 1 . . . . 86 LEU HD1 . 16120 1 925 . 1 1 86 86 LEU HD13 H 1 0.573 0.020 . 1 . . . . 86 LEU HD1 . 16120 1 926 . 1 1 86 86 LEU HD21 H 1 0.693 0.020 . 1 . . . . 86 LEU HD2 . 16120 1 927 . 1 1 86 86 LEU HD22 H 1 0.693 0.020 . 1 . . . . 86 LEU HD2 . 16120 1 928 . 1 1 86 86 LEU HD23 H 1 0.693 0.020 . 1 . . . . 86 LEU HD2 . 16120 1 929 . 1 1 86 86 LEU HG H 1 1.283 0.020 . 1 . . . . 86 LEU HG . 16120 1 930 . 1 1 86 86 LEU CA C 13 51.793 0.3 . 1 . . . . 86 LEU CA . 16120 1 931 . 1 1 86 86 LEU CB C 13 42.749 0.3 . 1 . . . . 86 LEU CB . 16120 1 932 . 1 1 86 86 LEU CD1 C 13 25.490 0.3 . 1 . . . . 86 LEU CD1 . 16120 1 933 . 1 1 86 86 LEU CD2 C 13 25.251 0.3 . 1 . . . . 86 LEU CD2 . 16120 1 934 . 1 1 86 86 LEU CG C 13 27.014 0.3 . 1 . . . . 86 LEU CG . 16120 1 935 . 1 1 86 86 LEU N N 15 125.839 0.3 . 1 . . . . 86 LEU N . 16120 1 936 . 1 1 87 87 PRO HA H 1 4.770 0.020 . 1 . . . . 87 PRO HA . 16120 1 937 . 1 1 87 87 PRO HB2 H 1 1.775 0.020 . 2 . . . . 87 PRO HB2 . 16120 1 938 . 1 1 87 87 PRO HB3 H 1 2.148 0.020 . 2 . . . . 87 PRO HB3 . 16120 1 939 . 1 1 87 87 PRO HD2 H 1 3.896 0.020 . 2 . . . . 87 PRO HD2 . 16120 1 940 . 1 1 87 87 PRO HD3 H 1 4.171 0.020 . 2 . . . . 87 PRO HD3 . 16120 1 941 . 1 1 87 87 PRO HG2 H 1 1.602 0.020 . 2 . . . . 87 PRO HG2 . 16120 1 942 . 1 1 87 87 PRO HG3 H 1 1.852 0.020 . 2 . . . . 87 PRO HG3 . 16120 1 943 . 1 1 87 87 PRO CA C 13 60.749 0.3 . 1 . . . . 87 PRO CA . 16120 1 944 . 1 1 87 87 PRO CB C 13 30.701 0.3 . 1 . . . . 87 PRO CB . 16120 1 945 . 1 1 87 87 PRO CD C 13 50.695 0.3 . 1 . . . . 87 PRO CD . 16120 1 946 . 1 1 87 87 PRO CG C 13 26.758 0.3 . 1 . . . . 87 PRO CG . 16120 1 947 . 1 1 88 88 PRO HA H 1 4.500 0.020 . 1 . . . . 88 PRO HA . 16120 1 948 . 1 1 88 88 PRO HB2 H 1 1.932 0.020 . 2 . . . . 88 PRO HB2 . 16120 1 949 . 1 1 88 88 PRO HB3 H 1 2.396 0.020 . 2 . . . . 88 PRO HB3 . 16120 1 950 . 1 1 88 88 PRO HD2 H 1 3.459 0.020 . 2 . . . . 88 PRO HD2 . 16120 1 951 . 1 1 88 88 PRO HD3 H 1 3.883 0.020 . 2 . . . . 88 PRO HD3 . 16120 1 952 . 1 1 88 88 PRO HG2 H 1 2.044 0.020 . 2 . . . . 88 PRO HG2 . 16120 1 953 . 1 1 88 88 PRO HG3 H 1 2.103 0.020 . 2 . . . . 88 PRO HG3 . 16120 1 954 . 1 1 88 88 PRO C C 13 177.808 0.3 . 1 . . . . 88 PRO C . 16120 1 955 . 1 1 88 88 PRO CA C 13 62.321 0.3 . 1 . . . . 88 PRO CA . 16120 1 956 . 1 1 88 88 PRO CB C 13 31.791 0.3 . 1 . . . . 88 PRO CB . 16120 1 957 . 1 1 88 88 PRO CD C 13 50.462 0.3 . 1 . . . . 88 PRO CD . 16120 1 958 . 1 1 88 88 PRO CG C 13 29.429 0.3 . 1 . . . . 88 PRO CG . 16120 1 959 . 1 1 89 89 THR H H 1 8.242 0.020 . 1 . . . . 89 THR H . 16120 1 960 . 1 1 89 89 THR HA H 1 3.736 0.020 . 1 . . . . 89 THR HA . 16120 1 961 . 1 1 89 89 THR HB H 1 4.096 0.020 . 1 . . . . 89 THR HB . 16120 1 962 . 1 1 89 89 THR HG21 H 1 1.259 0.020 . 1 . . . . 89 THR HG2 . 16120 1 963 . 1 1 89 89 THR HG22 H 1 1.259 0.020 . 1 . . . . 89 THR HG2 . 16120 1 964 . 1 1 89 89 THR HG23 H 1 1.259 0.020 . 1 . . . . 89 THR HG2 . 16120 1 965 . 1 1 89 89 THR C C 13 175.635 0.3 . 1 . . . . 89 THR C . 16120 1 966 . 1 1 89 89 THR CA C 13 64.969 0.3 . 1 . . . . 89 THR CA . 16120 1 967 . 1 1 89 89 THR CB C 13 68.729 0.3 . 1 . . . . 89 THR CB . 16120 1 968 . 1 1 89 89 THR CG2 C 13 22.271 0.3 . 1 . . . . 89 THR CG2 . 16120 1 969 . 1 1 89 89 THR N N 15 114.790 0.3 . 1 . . . . 89 THR N . 16120 1 970 . 1 1 90 90 ALA H H 1 8.000 0.020 . 1 . . . . 90 ALA H . 16120 1 971 . 1 1 90 90 ALA HA H 1 4.354 0.020 . 1 . . . . 90 ALA HA . 16120 1 972 . 1 1 90 90 ALA HB1 H 1 1.372 0.020 . 1 . . . . 90 ALA HB . 16120 1 973 . 1 1 90 90 ALA HB2 H 1 1.372 0.020 . 1 . . . . 90 ALA HB . 16120 1 974 . 1 1 90 90 ALA HB3 H 1 1.372 0.020 . 1 . . . . 90 ALA HB . 16120 1 975 . 1 1 90 90 ALA C C 13 177.640 0.3 . 1 . . . . 90 ALA C . 16120 1 976 . 1 1 90 90 ALA CA C 13 52.001 0.3 . 1 . . . . 90 ALA CA . 16120 1 977 . 1 1 90 90 ALA CB C 13 19.326 0.3 . 1 . . . . 90 ALA CB . 16120 1 978 . 1 1 90 90 ALA N N 15 119.616 0.3 . 1 . . . . 90 ALA N . 16120 1 979 . 1 1 91 91 ALA H H 1 7.424 0.020 . 1 . . . . 91 ALA H . 16120 1 980 . 1 1 91 91 ALA HA H 1 4.118 0.020 . 1 . . . . 91 ALA HA . 16120 1 981 . 1 1 91 91 ALA HB1 H 1 1.392 0.020 . 1 . . . . 91 ALA HB . 16120 1 982 . 1 1 91 91 ALA HB2 H 1 1.392 0.020 . 1 . . . . 91 ALA HB . 16120 1 983 . 1 1 91 91 ALA HB3 H 1 1.392 0.020 . 1 . . . . 91 ALA HB . 16120 1 984 . 1 1 91 91 ALA C C 13 176.464 0.3 . 1 . . . . 91 ALA C . 16120 1 985 . 1 1 91 91 ALA CA C 13 52.318 0.3 . 1 . . . . 91 ALA CA . 16120 1 986 . 1 1 91 91 ALA CB C 13 19.222 0.3 . 1 . . . . 91 ALA CB . 16120 1 987 . 1 1 91 91 ALA N N 15 120.405 0.3 . 1 . . . . 91 ALA N . 16120 1 988 . 1 1 92 92 LEU H H 1 8.461 0.020 . 1 . . . . 92 LEU H . 16120 1 989 . 1 1 92 92 LEU HA H 1 4.409 0.020 . 1 . . . . 92 LEU HA . 16120 1 990 . 1 1 92 92 LEU HB2 H 1 1.693 0.020 . 1 . . . . 92 LEU HB2 . 16120 1 991 . 1 1 92 92 LEU HB3 H 1 1.693 0.020 . 1 . . . . 92 LEU HB3 . 16120 1 992 . 1 1 92 92 LEU HD11 H 1 0.773 0.020 . 1 . . . . 92 LEU HD1 . 16120 1 993 . 1 1 92 92 LEU HD12 H 1 0.773 0.020 . 1 . . . . 92 LEU HD1 . 16120 1 994 . 1 1 92 92 LEU HD13 H 1 0.773 0.020 . 1 . . . . 92 LEU HD1 . 16120 1 995 . 1 1 92 92 LEU HD21 H 1 0.903 0.020 . 1 . . . . 92 LEU HD2 . 16120 1 996 . 1 1 92 92 LEU HD22 H 1 0.903 0.020 . 1 . . . . 92 LEU HD2 . 16120 1 997 . 1 1 92 92 LEU HD23 H 1 0.903 0.020 . 1 . . . . 92 LEU HD2 . 16120 1 998 . 1 1 92 92 LEU HG H 1 1.761 0.020 . 1 . . . . 92 LEU HG . 16120 1 999 . 1 1 92 92 LEU C C 13 179.432 0.3 . 1 . . . . 92 LEU C . 16120 1 1000 . 1 1 92 92 LEU CA C 13 54.554 0.3 . 1 . . . . 92 LEU CA . 16120 1 1001 . 1 1 92 92 LEU CB C 13 42.534 0.3 . 1 . . . . 92 LEU CB . 16120 1 1002 . 1 1 92 92 LEU CD1 C 13 23.121 0.3 . 1 . . . . 92 LEU CD1 . 16120 1 1003 . 1 1 92 92 LEU CD2 C 13 25.225 0.3 . 1 . . . . 92 LEU CD2 . 16120 1 1004 . 1 1 92 92 LEU CG C 13 27.552 0.3 . 1 . . . . 92 LEU CG . 16120 1 1005 . 1 1 92 92 LEU N N 15 119.326 0.3 . 1 . . . . 92 LEU N . 16120 1 1006 . 1 1 93 93 MET H H 1 9.178 0.020 . 1 . . . . 93 MET H . 16120 1 1007 . 1 1 93 93 MET HA H 1 4.207 0.020 . 1 . . . . 93 MET HA . 16120 1 1008 . 1 1 93 93 MET HB2 H 1 1.434 0.020 . 1 . . . . 93 MET HB2 . 16120 1 1009 . 1 1 93 93 MET HB3 H 1 1.434 0.020 . 1 . . . . 93 MET HB3 . 16120 1 1010 . 1 1 93 93 MET HE1 H 1 1.127 0.020 . 1 . . . . 93 MET HE . 16120 1 1011 . 1 1 93 93 MET HE2 H 1 1.127 0.020 . 1 . . . . 93 MET HE . 16120 1 1012 . 1 1 93 93 MET HE3 H 1 1.127 0.020 . 1 . . . . 93 MET HE . 16120 1 1013 . 1 1 93 93 MET HG2 H 1 2.160 0.020 . 1 . . . . 93 MET HG2 . 16120 1 1014 . 1 1 93 93 MET HG3 H 1 2.160 0.020 . 1 . . . . 93 MET HG3 . 16120 1 1015 . 1 1 93 93 MET C C 13 178.861 0.3 . 1 . . . . 93 MET C . 16120 1 1016 . 1 1 93 93 MET CA C 13 56.726 0.3 . 1 . . . . 93 MET CA . 16120 1 1017 . 1 1 93 93 MET CB C 13 29.214 0.3 . 1 . . . . 93 MET CB . 16120 1 1018 . 1 1 93 93 MET CE C 13 15.334 0.3 . 1 . . . . 93 MET CE . 16120 1 1019 . 1 1 93 93 MET N N 15 121.574 0.3 . 1 . . . . 93 MET N . 16120 1 1020 . 1 1 94 94 SER H H 1 8.760 0.020 . 1 . . . . 94 SER H . 16120 1 1021 . 1 1 94 94 SER HA H 1 3.923 0.020 . 1 . . . . 94 SER HA . 16120 1 1022 . 1 1 94 94 SER C C 13 176.285 0.3 . 1 . . . . 94 SER C . 16120 1 1023 . 1 1 94 94 SER CA C 13 60.846 0.3 . 1 . . . . 94 SER CA . 16120 1 1024 . 1 1 94 94 SER N N 15 113.025 0.3 . 1 . . . . 94 SER N . 16120 1 1025 . 1 1 95 95 ALA H H 1 7.021 0.020 . 1 . . . . 95 ALA H . 16120 1 1026 . 1 1 95 95 ALA HA H 1 4.299 0.020 . 1 . . . . 95 ALA HA . 16120 1 1027 . 1 1 95 95 ALA HB1 H 1 1.602 0.020 . 1 . . . . 95 ALA HB . 16120 1 1028 . 1 1 95 95 ALA HB2 H 1 1.602 0.020 . 1 . . . . 95 ALA HB . 16120 1 1029 . 1 1 95 95 ALA HB3 H 1 1.602 0.020 . 1 . . . . 95 ALA HB . 16120 1 1030 . 1 1 95 95 ALA C C 13 180.687 0.3 . 1 . . . . 95 ALA C . 16120 1 1031 . 1 1 95 95 ALA CA C 13 54.718 0.3 . 1 . . . . 95 ALA CA . 16120 1 1032 . 1 1 95 95 ALA CB C 13 18.494 0.3 . 1 . . . . 95 ALA CB . 16120 1 1033 . 1 1 95 95 ALA N N 15 126.807 0.3 . 1 . . . . 95 ALA N . 16120 1 1034 . 1 1 96 96 ILE H H 1 7.848 0.020 . 1 . . . . 96 ILE H . 16120 1 1035 . 1 1 96 96 ILE HA H 1 3.999 0.020 . 1 . . . . 96 ILE HA . 16120 1 1036 . 1 1 96 96 ILE HB H 1 2.120 0.020 . 1 . . . . 96 ILE HB . 16120 1 1037 . 1 1 96 96 ILE HD11 H 1 0.717 0.020 . 1 . . . . 96 ILE HD1 . 16120 1 1038 . 1 1 96 96 ILE HD12 H 1 0.717 0.020 . 1 . . . . 96 ILE HD1 . 16120 1 1039 . 1 1 96 96 ILE HD13 H 1 0.717 0.020 . 1 . . . . 96 ILE HD1 . 16120 1 1040 . 1 1 96 96 ILE HG12 H 1 1.306 0.020 . 2 . . . . 96 ILE HG12 . 16120 1 1041 . 1 1 96 96 ILE HG13 H 1 1.597 0.020 . 2 . . . . 96 ILE HG13 . 16120 1 1042 . 1 1 96 96 ILE HG21 H 1 0.931 0.020 . 1 . . . . 96 ILE HG2 . 16120 1 1043 . 1 1 96 96 ILE HG22 H 1 0.931 0.020 . 1 . . . . 96 ILE HG2 . 16120 1 1044 . 1 1 96 96 ILE HG23 H 1 0.931 0.020 . 1 . . . . 96 ILE HG2 . 16120 1 1045 . 1 1 96 96 ILE C C 13 178.223 0.3 . 1 . . . . 96 ILE C . 16120 1 1046 . 1 1 96 96 ILE CA C 13 62.619 0.3 . 1 . . . . 96 ILE CA . 16120 1 1047 . 1 1 96 96 ILE CB C 13 36.338 0.3 . 1 . . . . 96 ILE CB . 16120 1 1048 . 1 1 96 96 ILE CD1 C 13 10.797 0.3 . 1 . . . . 96 ILE CD1 . 16120 1 1049 . 1 1 96 96 ILE CG1 C 13 26.958 0.3 . 1 . . . . 96 ILE CG1 . 16120 1 1050 . 1 1 96 96 ILE CG2 C 13 18.990 0.3 . 1 . . . . 96 ILE CG2 . 16120 1 1051 . 1 1 96 96 ILE N N 15 118.949 0.3 . 1 . . . . 96 ILE N . 16120 1 1052 . 1 1 97 97 TYR H H 1 8.844 0.020 . 1 . . . . 97 TYR H . 16120 1 1053 . 1 1 97 97 TYR HA H 1 3.949 0.020 . 1 . . . . 97 TYR HA . 16120 1 1054 . 1 1 97 97 TYR HB2 H 1 2.962 0.020 . 2 . . . . 97 TYR HB2 . 16120 1 1055 . 1 1 97 97 TYR HB3 H 1 3.096 0.020 . 2 . . . . 97 TYR HB3 . 16120 1 1056 . 1 1 97 97 TYR HD1 H 1 6.988 0.020 . 1 . . . . 97 TYR HD1 . 16120 1 1057 . 1 1 97 97 TYR HD2 H 1 6.988 0.020 . 1 . . . . 97 TYR HD2 . 16120 1 1058 . 1 1 97 97 TYR HE1 H 1 6.830 0.020 . 1 . . . . 97 TYR HE1 . 16120 1 1059 . 1 1 97 97 TYR HE2 H 1 6.830 0.020 . 1 . . . . 97 TYR HE2 . 16120 1 1060 . 1 1 97 97 TYR C C 13 175.881 0.3 . 1 . . . . 97 TYR C . 16120 1 1061 . 1 1 97 97 TYR CA C 13 62.212 0.3 . 1 . . . . 97 TYR CA . 16120 1 1062 . 1 1 97 97 TYR CB C 13 39.247 0.3 . 1 . . . . 97 TYR CB . 16120 1 1063 . 1 1 97 97 TYR CD1 C 13 133.318 0.3 . 1 . . . . 97 TYR CD1 . 16120 1 1064 . 1 1 97 97 TYR CD2 C 13 133.318 0.3 . 1 . . . . 97 TYR CD2 . 16120 1 1065 . 1 1 97 97 TYR CE1 C 13 118.087 0.3 . 1 . . . . 97 TYR CE1 . 16120 1 1066 . 1 1 97 97 TYR CE2 C 13 118.087 0.3 . 1 . . . . 97 TYR CE2 . 16120 1 1067 . 1 1 97 97 TYR N N 15 120.580 0.3 . 1 . . . . 97 TYR N . 16120 1 1068 . 1 1 98 98 GLN H H 1 7.712 0.020 . 1 . . . . 98 GLN H . 16120 1 1069 . 1 1 98 98 GLN HA H 1 3.716 0.020 . 1 . . . . 98 GLN HA . 16120 1 1070 . 1 1 98 98 GLN HB2 H 1 2.119 0.020 . 2 . . . . 98 GLN HB2 . 16120 1 1071 . 1 1 98 98 GLN HB3 H 1 2.179 0.020 . 2 . . . . 98 GLN HB3 . 16120 1 1072 . 1 1 98 98 GLN HE21 H 1 7.533 0.020 . 1 . . . . 98 GLN HE21 . 16120 1 1073 . 1 1 98 98 GLN HE22 H 1 6.890 0.020 . 1 . . . . 98 GLN HE22 . 16120 1 1074 . 1 1 98 98 GLN HG2 H 1 2.507 0.020 . 1 . . . . 98 GLN HG2 . 16120 1 1075 . 1 1 98 98 GLN HG3 H 1 2.507 0.020 . 1 . . . . 98 GLN HG3 . 16120 1 1076 . 1 1 98 98 GLN C C 13 177.147 0.3 . 1 . . . . 98 GLN C . 16120 1 1077 . 1 1 98 98 GLN CA C 13 58.646 0.3 . 1 . . . . 98 GLN CA . 16120 1 1078 . 1 1 98 98 GLN CB C 13 28.210 0.3 . 1 . . . . 98 GLN CB . 16120 1 1079 . 1 1 98 98 GLN CD C 13 177.399 0.3 . 1 . . . . 98 GLN CD . 16120 1 1080 . 1 1 98 98 GLN CG C 13 33.411 0.3 . 1 . . . . 98 GLN CG . 16120 1 1081 . 1 1 98 98 GLN N N 15 115.083 0.3 . 1 . . . . 98 GLN N . 16120 1 1082 . 1 1 98 98 GLN NE2 N 15 112.025 0.3 . 1 . . . . 98 GLN NE2 . 16120 1 1083 . 1 1 99 99 GLU H H 1 7.104 0.020 . 1 . . . . 99 GLU H . 16120 1 1084 . 1 1 99 99 GLU HA H 1 4.024 0.020 . 1 . . . . 99 GLU HA . 16120 1 1085 . 1 1 99 99 GLU HB2 H 1 1.525 0.020 . 2 . . . . 99 GLU HB2 . 16120 1 1086 . 1 1 99 99 GLU HB3 H 1 1.761 0.020 . 2 . . . . 99 GLU HB3 . 16120 1 1087 . 1 1 99 99 GLU HG2 H 1 1.454 0.020 . 2 . . . . 99 GLU HG2 . 16120 1 1088 . 1 1 99 99 GLU HG3 H 1 1.923 0.020 . 2 . . . . 99 GLU HG3 . 16120 1 1089 . 1 1 99 99 GLU C C 13 178.099 0.3 . 1 . . . . 99 GLU C . 16120 1 1090 . 1 1 99 99 GLU CA C 13 57.838 0.3 . 1 . . . . 99 GLU CA . 16120 1 1091 . 1 1 99 99 GLU CB C 13 31.467 0.3 . 1 . . . . 99 GLU CB . 16120 1 1092 . 1 1 99 99 GLU CG C 13 35.529 0.3 . 1 . . . . 99 GLU CG . 16120 1 1093 . 1 1 99 99 GLU N N 15 114.323 0.3 . 1 . . . . 99 GLU N . 16120 1 1094 . 1 1 100 100 HIS H H 1 8.215 0.020 . 1 . . . . 100 HIS H . 16120 1 1095 . 1 1 100 100 HIS HA H 1 4.759 0.020 . 1 . . . . 100 HIS HA . 16120 1 1096 . 1 1 100 100 HIS HB2 H 1 2.738 0.020 . 2 . . . . 100 HIS HB2 . 16120 1 1097 . 1 1 100 100 HIS HB3 H 1 3.159 0.020 . 2 . . . . 100 HIS HB3 . 16120 1 1098 . 1 1 100 100 HIS HD2 H 1 6.974 0.020 . 1 . . . . 100 HIS HD2 . 16120 1 1099 . 1 1 100 100 HIS HE1 H 1 7.790 0.020 . 1 . . . . 100 HIS HE1 . 16120 1 1100 . 1 1 100 100 HIS C C 13 175.881 0.3 . 1 . . . . 100 HIS C . 16120 1 1101 . 1 1 100 100 HIS CA C 13 56.665 0.3 . 1 . . . . 100 HIS CA . 16120 1 1102 . 1 1 100 100 HIS CB C 13 32.852 0.3 . 1 . . . . 100 HIS CB . 16120 1 1103 . 1 1 100 100 HIS CD2 C 13 118.100 0.3 . 1 . . . . 100 HIS CD2 . 16120 1 1104 . 1 1 100 100 HIS CE1 C 13 138.929 0.3 . 1 . . . . 100 HIS CE1 . 16120 1 1105 . 1 1 100 100 HIS N N 15 113.288 0.3 . 1 . . . . 100 HIS N . 16120 1 1106 . 1 1 101 101 LYS H H 1 8.043 0.020 . 1 . . . . 101 LYS H . 16120 1 1107 . 1 1 101 101 LYS HA H 1 3.928 0.020 . 1 . . . . 101 LYS HA . 16120 1 1108 . 1 1 101 101 LYS HB2 H 1 1.132 0.020 . 1 . . . . 101 LYS HB2 . 16120 1 1109 . 1 1 101 101 LYS HB3 H 1 1.132 0.020 . 1 . . . . 101 LYS HB3 . 16120 1 1110 . 1 1 101 101 LYS HG2 H 1 0.935 0.020 . 1 . . . . 101 LYS HG2 . 16120 1 1111 . 1 1 101 101 LYS HG3 H 1 0.935 0.020 . 1 . . . . 101 LYS HG3 . 16120 1 1112 . 1 1 101 101 LYS C C 13 174.683 0.3 . 1 . . . . 101 LYS C . 16120 1 1113 . 1 1 101 101 LYS CA C 13 57.601 0.3 . 1 . . . . 101 LYS CA . 16120 1 1114 . 1 1 101 101 LYS CB C 13 31.588 0.3 . 1 . . . . 101 LYS CB . 16120 1 1115 . 1 1 101 101 LYS CG C 13 22.500 0.3 . 1 . . . . 101 LYS CG . 16120 1 1116 . 1 1 101 101 LYS N N 15 120.853 0.3 . 1 . . . . 101 LYS N . 16120 1 1117 . 1 1 102 102 ASP H H 1 8.955 0.020 . 1 . . . . 102 ASP H . 16120 1 1118 . 1 1 102 102 ASP HA H 1 4.694 0.020 . 1 . . . . 102 ASP HA . 16120 1 1119 . 1 1 102 102 ASP HB2 H 1 3.132 0.020 . 2 . . . . 102 ASP HB2 . 16120 1 1120 . 1 1 102 102 ASP HB3 H 1 3.835 0.020 . 2 . . . . 102 ASP HB3 . 16120 1 1121 . 1 1 102 102 ASP C C 13 177.664 0.3 . 1 . . . . 102 ASP C . 16120 1 1122 . 1 1 102 102 ASP CA C 13 53.951 0.3 . 1 . . . . 102 ASP CA . 16120 1 1123 . 1 1 102 102 ASP CB C 13 43.415 0.3 . 1 . . . . 102 ASP CB . 16120 1 1124 . 1 1 102 102 ASP N N 15 124.033 0.3 . 1 . . . . 102 ASP N . 16120 1 1125 . 1 1 103 103 LYS H H 1 8.651 0.020 . 1 . . . . 103 LYS H . 16120 1 1126 . 1 1 103 103 LYS HA H 1 4.171 0.020 . 1 . . . . 103 LYS HA . 16120 1 1127 . 1 1 103 103 LYS HB2 H 1 1.975 0.020 . 1 . . . . 103 LYS HB2 . 16120 1 1128 . 1 1 103 103 LYS HB3 H 1 1.975 0.020 . 1 . . . . 103 LYS HB3 . 16120 1 1129 . 1 1 103 103 LYS HD2 H 1 1.664 0.020 . 1 . . . . 103 LYS HD2 . 16120 1 1130 . 1 1 103 103 LYS HD3 H 1 1.664 0.020 . 1 . . . . 103 LYS HD3 . 16120 1 1131 . 1 1 103 103 LYS HE2 H 1 2.962 0.020 . 1 . . . . 103 LYS HE2 . 16120 1 1132 . 1 1 103 103 LYS HE3 H 1 2.962 0.020 . 1 . . . . 103 LYS HE3 . 16120 1 1133 . 1 1 103 103 LYS HG2 H 1 1.587 0.020 . 2 . . . . 103 LYS HG2 . 16120 1 1134 . 1 1 103 103 LYS HG3 H 1 1.647 0.020 . 2 . . . . 103 LYS HG3 . 16120 1 1135 . 1 1 103 103 LYS CA C 13 59.352 0.3 . 1 . . . . 103 LYS CA . 16120 1 1136 . 1 1 103 103 LYS CB C 13 32.546 0.3 . 1 . . . . 103 LYS CB . 16120 1 1137 . 1 1 103 103 LYS CD C 13 28.738 0.3 . 1 . . . . 103 LYS CD . 16120 1 1138 . 1 1 103 103 LYS CE C 13 42.280 0.3 . 1 . . . . 103 LYS CE . 16120 1 1139 . 1 1 103 103 LYS CG C 13 25.498 0.3 . 1 . . . . 103 LYS CG . 16120 1 1140 . 1 1 103 103 LYS N N 15 125.894 0.3 . 1 . . . . 103 LYS N . 16120 1 1141 . 1 1 104 104 ASP H H 1 10.278 0.020 . 1 . . . . 104 ASP H . 16120 1 1142 . 1 1 104 104 ASP C C 13 176.710 0.3 . 1 . . . . 104 ASP C . 16120 1 1143 . 1 1 104 104 ASP CA C 13 54.539 0.3 . 1 . . . . 104 ASP CA . 16120 1 1144 . 1 1 104 104 ASP N N 15 119.429 0.3 . 1 . . . . 104 ASP N . 16120 1 1145 . 1 1 105 105 GLY H H 1 8.128 0.020 . 1 . . . . 105 GLY H . 16120 1 1146 . 1 1 105 105 GLY HA2 H 1 3.439 0.020 . 2 . . . . 105 GLY HA2 . 16120 1 1147 . 1 1 105 105 GLY HA3 H 1 4.353 0.020 . 2 . . . . 105 GLY HA3 . 16120 1 1148 . 1 1 105 105 GLY C C 13 174.660 0.3 . 1 . . . . 105 GLY C . 16120 1 1149 . 1 1 105 105 GLY CA C 13 45.332 0.3 . 1 . . . . 105 GLY CA . 16120 1 1150 . 1 1 105 105 GLY N N 15 106.083 0.3 . 1 . . . . 105 GLY N . 16120 1 1151 . 1 1 106 106 PHE H H 1 9.579 0.020 . 1 . . . . 106 PHE H . 16120 1 1152 . 1 1 106 106 PHE HA H 1 4.623 0.020 . 1 . . . . 106 PHE HA . 16120 1 1153 . 1 1 106 106 PHE HB2 H 1 2.010 0.020 . 2 . . . . 106 PHE HB2 . 16120 1 1154 . 1 1 106 106 PHE HB3 H 1 3.370 0.020 . 2 . . . . 106 PHE HB3 . 16120 1 1155 . 1 1 106 106 PHE C C 13 174.929 0.3 . 1 . . . . 106 PHE C . 16120 1 1156 . 1 1 106 106 PHE CA C 13 59.350 0.3 . 1 . . . . 106 PHE CA . 16120 1 1157 . 1 1 106 106 PHE CB C 13 40.007 0.3 . 1 . . . . 106 PHE CB . 16120 1 1158 . 1 1 106 106 PHE N N 15 121.748 0.3 . 1 . . . . 106 PHE N . 16120 1 1159 . 1 1 107 107 LEU H H 1 8.294 0.020 . 1 . . . . 107 LEU H . 16120 1 1160 . 1 1 107 107 LEU HA H 1 4.830 0.020 . 1 . . . . 107 LEU HA . 16120 1 1161 . 1 1 107 107 LEU HB2 H 1 1.387 0.020 . 2 . . . . 107 LEU HB2 . 16120 1 1162 . 1 1 107 107 LEU HB3 H 1 2.037 0.020 . 2 . . . . 107 LEU HB3 . 16120 1 1163 . 1 1 107 107 LEU HD11 H 1 0.870 0.020 . 1 . . . . 107 LEU HD1 . 16120 1 1164 . 1 1 107 107 LEU HD12 H 1 0.870 0.020 . 1 . . . . 107 LEU HD1 . 16120 1 1165 . 1 1 107 107 LEU HD13 H 1 0.870 0.020 . 1 . . . . 107 LEU HD1 . 16120 1 1166 . 1 1 107 107 LEU HD21 H 1 0.644 0.020 . 1 . . . . 107 LEU HD2 . 16120 1 1167 . 1 1 107 107 LEU HD22 H 1 0.644 0.020 . 1 . . . . 107 LEU HD2 . 16120 1 1168 . 1 1 107 107 LEU HD23 H 1 0.644 0.020 . 1 . . . . 107 LEU HD2 . 16120 1 1169 . 1 1 107 107 LEU HG H 1 1.387 0.020 . 1 . . . . 107 LEU HG . 16120 1 1170 . 1 1 107 107 LEU C C 13 173.865 0.3 . 1 . . . . 107 LEU C . 16120 1 1171 . 1 1 107 107 LEU CA C 13 53.400 0.3 . 1 . . . . 107 LEU CA . 16120 1 1172 . 1 1 107 107 LEU CB C 13 45.088 0.3 . 1 . . . . 107 LEU CB . 16120 1 1173 . 1 1 107 107 LEU CD1 C 13 24.187 0.3 . 1 . . . . 107 LEU CD1 . 16120 1 1174 . 1 1 107 107 LEU CD2 C 13 26.082 0.3 . 1 . . . . 107 LEU CD2 . 16120 1 1175 . 1 1 107 107 LEU CG C 13 27.148 0.3 . 1 . . . . 107 LEU CG . 16120 1 1176 . 1 1 107 107 LEU N N 15 119.889 0.3 . 1 . . . . 107 LEU N . 16120 1 1177 . 1 1 108 108 TYR H H 1 9.111 0.020 . 1 . . . . 108 TYR H . 16120 1 1178 . 1 1 108 108 TYR HA H 1 4.932 0.020 . 1 . . . . 108 TYR HA . 16120 1 1179 . 1 1 108 108 TYR HB2 H 1 2.883 0.020 . 2 . . . . 108 TYR HB2 . 16120 1 1180 . 1 1 108 108 TYR HB3 H 1 3.026 0.020 . 2 . . . . 108 TYR HB3 . 16120 1 1181 . 1 1 108 108 TYR HD1 H 1 7.246 0.020 . 1 . . . . 108 TYR HD1 . 16120 1 1182 . 1 1 108 108 TYR HD2 H 1 7.246 0.020 . 1 . . . . 108 TYR HD2 . 16120 1 1183 . 1 1 108 108 TYR HE1 H 1 7.222 0.020 . 1 . . . . 108 TYR HE1 . 16120 1 1184 . 1 1 108 108 TYR HE2 H 1 7.222 0.020 . 1 . . . . 108 TYR HE2 . 16120 1 1185 . 1 1 108 108 TYR C C 13 176.005 0.3 . 1 . . . . 108 TYR C . 16120 1 1186 . 1 1 108 108 TYR CA C 13 58.669 0.3 . 1 . . . . 108 TYR CA . 16120 1 1187 . 1 1 108 108 TYR CB C 13 38.027 0.3 . 1 . . . . 108 TYR CB . 16120 1 1188 . 1 1 108 108 TYR CD1 C 13 132.625 0.3 . 1 . . . . 108 TYR CD1 . 16120 1 1189 . 1 1 108 108 TYR CD2 C 13 132.625 0.3 . 1 . . . . 108 TYR CD2 . 16120 1 1190 . 1 1 108 108 TYR CE1 C 13 118.693 0.3 . 1 . . . . 108 TYR CE1 . 16120 1 1191 . 1 1 108 108 TYR CE2 C 13 118.693 0.3 . 1 . . . . 108 TYR CE2 . 16120 1 1192 . 1 1 108 108 TYR N N 15 127.782 0.3 . 1 . . . . 108 TYR N . 16120 1 1193 . 1 1 109 109 VAL H H 1 9.475 0.020 . 1 . . . . 109 VAL H . 16120 1 1194 . 1 1 109 109 VAL HA H 1 5.062 0.020 . 1 . . . . 109 VAL HA . 16120 1 1195 . 1 1 109 109 VAL HB H 1 2.204 0.020 . 1 . . . . 109 VAL HB . 16120 1 1196 . 1 1 109 109 VAL HG11 H 1 0.766 0.020 . 1 . . . . 109 VAL HG1 . 16120 1 1197 . 1 1 109 109 VAL HG12 H 1 0.766 0.020 . 1 . . . . 109 VAL HG1 . 16120 1 1198 . 1 1 109 109 VAL HG13 H 1 0.766 0.020 . 1 . . . . 109 VAL HG1 . 16120 1 1199 . 1 1 109 109 VAL HG21 H 1 0.859 0.020 . 1 . . . . 109 VAL HG2 . 16120 1 1200 . 1 1 109 109 VAL HG22 H 1 0.859 0.020 . 1 . . . . 109 VAL HG2 . 16120 1 1201 . 1 1 109 109 VAL HG23 H 1 0.859 0.020 . 1 . . . . 109 VAL HG2 . 16120 1 1202 . 1 1 109 109 VAL C C 13 175.702 0.3 . 1 . . . . 109 VAL C . 16120 1 1203 . 1 1 109 109 VAL CA C 13 59.487 0.3 . 1 . . . . 109 VAL CA . 16120 1 1204 . 1 1 109 109 VAL CB C 13 34.752 0.3 . 1 . . . . 109 VAL CB . 16120 1 1205 . 1 1 109 109 VAL CG1 C 13 20.865 0.3 . 1 . . . . 109 VAL CG1 . 16120 1 1206 . 1 1 109 109 VAL CG2 C 13 22.049 0.3 . 1 . . . . 109 VAL CG2 . 16120 1 1207 . 1 1 109 109 VAL N N 15 121.348 0.3 . 1 . . . . 109 VAL N . 16120 1 1208 . 1 1 110 110 THR H H 1 8.999 0.020 . 1 . . . . 110 THR H . 16120 1 1209 . 1 1 110 110 THR HA H 1 6.074 0.020 . 1 . . . . 110 THR HA . 16120 1 1210 . 1 1 110 110 THR HB H 1 3.967 0.020 . 1 . . . . 110 THR HB . 16120 1 1211 . 1 1 110 110 THR HG21 H 1 1.157 0.020 . 1 . . . . 110 THR HG2 . 16120 1 1212 . 1 1 110 110 THR HG22 H 1 1.157 0.020 . 1 . . . . 110 THR HG2 . 16120 1 1213 . 1 1 110 110 THR HG23 H 1 1.157 0.020 . 1 . . . . 110 THR HG2 . 16120 1 1214 . 1 1 110 110 THR C C 13 174.033 0.3 . 1 . . . . 110 THR C . 16120 1 1215 . 1 1 110 110 THR CA C 13 59.763 0.3 . 1 . . . . 110 THR CA . 16120 1 1216 . 1 1 110 110 THR CB C 13 72.169 0.3 . 1 . . . . 110 THR CB . 16120 1 1217 . 1 1 110 110 THR CG2 C 13 22.182 0.3 . 1 . . . . 110 THR CG2 . 16120 1 1218 . 1 1 110 110 THR N N 15 119.503 0.3 . 1 . . . . 110 THR N . 16120 1 1219 . 1 1 111 111 TYR H H 1 8.373 0.020 . 1 . . . . 111 TYR H . 16120 1 1220 . 1 1 111 111 TYR HA H 1 6.255 0.020 . 1 . . . . 111 TYR HA . 16120 1 1221 . 1 1 111 111 TYR HB2 H 1 2.508 0.020 . 2 . . . . 111 TYR HB2 . 16120 1 1222 . 1 1 111 111 TYR HB3 H 1 2.819 0.020 . 2 . . . . 111 TYR HB3 . 16120 1 1223 . 1 1 111 111 TYR HD1 H 1 6.756 0.020 . 1 . . . . 111 TYR HD1 . 16120 1 1224 . 1 1 111 111 TYR HD2 H 1 6.756 0.020 . 1 . . . . 111 TYR HD2 . 16120 1 1225 . 1 1 111 111 TYR HE1 H 1 6.555 0.020 . 1 . . . . 111 TYR HE1 . 16120 1 1226 . 1 1 111 111 TYR HE2 H 1 6.555 0.020 . 1 . . . . 111 TYR HE2 . 16120 1 1227 . 1 1 111 111 TYR C C 13 173.234 0.3 . 1 . . . . 111 TYR C . 16120 1 1228 . 1 1 111 111 TYR CA C 13 54.538 0.3 . 1 . . . . 111 TYR CA . 16120 1 1229 . 1 1 111 111 TYR CB C 13 42.141 0.3 . 1 . . . . 111 TYR CB . 16120 1 1230 . 1 1 111 111 TYR CD1 C 13 132.723 0.3 . 1 . . . . 111 TYR CD1 . 16120 1 1231 . 1 1 111 111 TYR CD2 C 13 132.723 0.3 . 1 . . . . 111 TYR CD2 . 16120 1 1232 . 1 1 111 111 TYR CE1 C 13 117.409 0.3 . 1 . . . . 111 TYR CE1 . 16120 1 1233 . 1 1 111 111 TYR CE2 C 13 117.409 0.3 . 1 . . . . 111 TYR CE2 . 16120 1 1234 . 1 1 111 111 TYR N N 15 119.349 0.3 . 1 . . . . 111 TYR N . 16120 1 1235 . 1 1 112 112 SER H H 1 9.024 0.020 . 1 . . . . 112 SER H . 16120 1 1236 . 1 1 112 112 SER HA H 1 4.662 0.020 . 1 . . . . 112 SER HA . 16120 1 1237 . 1 1 112 112 SER HB2 H 1 3.781 0.020 . 2 . . . . 112 SER HB2 . 16120 1 1238 . 1 1 112 112 SER HB3 H 1 3.903 0.020 . 2 . . . . 112 SER HB3 . 16120 1 1239 . 1 1 112 112 SER C C 13 173.585 0.3 . 1 . . . . 112 SER C . 16120 1 1240 . 1 1 112 112 SER CA C 13 56.033 0.3 . 1 . . . . 112 SER CA . 16120 1 1241 . 1 1 112 112 SER CB C 13 66.052 0.3 . 1 . . . . 112 SER CB . 16120 1 1242 . 1 1 112 112 SER N N 15 112.876 0.3 . 1 . . . . 112 SER N . 16120 1 1243 . 1 1 113 113 GLY H H 1 8.397 0.020 . 1 . . . . 113 GLY H . 16120 1 1244 . 1 1 113 113 GLY HA2 H 1 3.770 0.020 . 2 . . . . 113 GLY HA2 . 16120 1 1245 . 1 1 113 113 GLY HA3 H 1 4.778 0.020 . 2 . . . . 113 GLY HA3 . 16120 1 1246 . 1 1 113 113 GLY C C 13 173.249 0.3 . 1 . . . . 113 GLY C . 16120 1 1247 . 1 1 113 113 GLY CA C 13 45.332 0.3 . 1 . . . . 113 GLY CA . 16120 1 1248 . 1 1 113 113 GLY N N 15 110.905 0.3 . 1 . . . . 113 GLY N . 16120 1 1249 . 1 1 114 114 GLU H H 1 8.345 0.020 . 1 . . . . 114 GLU H . 16120 1 1250 . 1 1 114 114 GLU HA H 1 4.599 0.020 . 1 . . . . 114 GLU HA . 16120 1 1251 . 1 1 114 114 GLU HB2 H 1 1.910 0.020 . 2 . . . . 114 GLU HB2 . 16120 1 1252 . 1 1 114 114 GLU HB3 H 1 1.957 0.020 . 2 . . . . 114 GLU HB3 . 16120 1 1253 . 1 1 114 114 GLU HG2 H 1 2.117 0.020 . 2 . . . . 114 GLU HG2 . 16120 1 1254 . 1 1 114 114 GLU HG3 H 1 2.197 0.020 . 2 . . . . 114 GLU HG3 . 16120 1 1255 . 1 1 114 114 GLU C C 13 174.515 0.3 . 1 . . . . 114 GLU C . 16120 1 1256 . 1 1 114 114 GLU CA C 13 55.422 0.3 . 1 . . . . 114 GLU CA . 16120 1 1257 . 1 1 114 114 GLU CB C 13 32.894 0.3 . 1 . . . . 114 GLU CB . 16120 1 1258 . 1 1 114 114 GLU CG C 13 36.180 0.3 . 1 . . . . 114 GLU CG . 16120 1 1259 . 1 1 114 114 GLU N N 15 118.617 0.3 . 1 . . . . 114 GLU N . 16120 1 1260 . 1 1 115 115 ASN H H 1 8.196 0.020 . 1 . . . . 115 ASN H . 16120 1 1261 . 1 1 115 115 ASN HA H 1 4.134 0.020 . 1 . . . . 115 ASN HA . 16120 1 1262 . 1 1 115 115 ASN HB2 H 1 1.630 0.020 . 2 . . . . 115 ASN HB2 . 16120 1 1263 . 1 1 115 115 ASN HB3 H 1 1.837 0.020 . 2 . . . . 115 ASN HB3 . 16120 1 1264 . 1 1 115 115 ASN HD21 H 1 6.952 0.020 . 1 . . . . 115 ASN HD21 . 16120 1 1265 . 1 1 115 115 ASN HD22 H 1 6.559 0.020 . 1 . . . . 115 ASN HD22 . 16120 1 1266 . 1 1 115 115 ASN C C 13 175.086 0.3 . 1 . . . . 115 ASN C . 16120 1 1267 . 1 1 115 115 ASN CA C 13 51.774 0.3 . 1 . . . . 115 ASN CA . 16120 1 1268 . 1 1 115 115 ASN CB C 13 36.722 0.3 . 1 . . . . 115 ASN CB . 16120 1 1269 . 1 1 115 115 ASN CG C 13 173.815 0.3 . 1 . . . . 115 ASN CG . 16120 1 1270 . 1 1 115 115 ASN N N 15 118.335 0.3 . 1 . . . . 115 ASN N . 16120 1 1271 . 1 1 115 115 ASN ND2 N 15 109.364 0.3 . 1 . . . . 115 ASN ND2 . 16120 1 1272 . 1 1 116 116 THR H H 1 7.418 0.020 . 1 . . . . 116 THR H . 16120 1 1273 . 1 1 116 116 THR HA H 1 4.087 0.020 . 1 . . . . 116 THR HA . 16120 1 1274 . 1 1 116 116 THR HB H 1 3.895 0.020 . 1 . . . . 116 THR HB . 16120 1 1275 . 1 1 116 116 THR HG21 H 1 0.896 0.020 . 1 . . . . 116 THR HG2 . 16120 1 1276 . 1 1 116 116 THR HG22 H 1 0.896 0.020 . 1 . . . . 116 THR HG2 . 16120 1 1277 . 1 1 116 116 THR HG23 H 1 0.896 0.020 . 1 . . . . 116 THR HG2 . 16120 1 1278 . 1 1 116 116 THR C C 13 173.809 0.3 . 1 . . . . 116 THR C . 16120 1 1279 . 1 1 116 116 THR CA C 13 61.363 0.3 . 1 . . . . 116 THR CA . 16120 1 1280 . 1 1 116 116 THR CB C 13 69.614 0.3 . 1 . . . . 116 THR CB . 16120 1 1281 . 1 1 116 116 THR CG2 C 13 21.285 0.3 . 1 . . . . 116 THR CG2 . 16120 1 1282 . 1 1 116 116 THR N N 15 112.915 0.3 . 1 . . . . 116 THR N . 16120 1 1283 . 1 1 117 117 PHE H H 1 7.991 0.020 . 1 . . . . 117 PHE H . 16120 1 1284 . 1 1 117 117 PHE HA H 1 4.320 0.020 . 1 . . . . 117 PHE HA . 16120 1 1285 . 1 1 117 117 PHE HB2 H 1 2.729 0.020 . 2 . . . . 117 PHE HB2 . 16120 1 1286 . 1 1 117 117 PHE HB3 H 1 2.929 0.020 . 2 . . . . 117 PHE HB3 . 16120 1 1287 . 1 1 117 117 PHE HD1 H 1 6.916 0.020 . 1 . . . . 117 PHE HD1 . 16120 1 1288 . 1 1 117 117 PHE HD2 H 1 6.916 0.020 . 1 . . . . 117 PHE HD2 . 16120 1 1289 . 1 1 117 117 PHE HE1 H 1 7.073 0.020 . 1 . . . . 117 PHE HE1 . 16120 1 1290 . 1 1 117 117 PHE HE2 H 1 7.073 0.020 . 1 . . . . 117 PHE HE2 . 16120 1 1291 . 1 1 117 117 PHE C C 13 175.859 0.3 . 1 . . . . 117 PHE C . 16120 1 1292 . 1 1 117 117 PHE CA C 13 57.925 0.3 . 1 . . . . 117 PHE CA . 16120 1 1293 . 1 1 117 117 PHE CB C 13 39.209 0.3 . 1 . . . . 117 PHE CB . 16120 1 1294 . 1 1 117 117 PHE CD1 C 13 131.312 0.3 . 1 . . . . 117 PHE CD1 . 16120 1 1295 . 1 1 117 117 PHE CD2 C 13 131.312 0.3 . 1 . . . . 117 PHE CD2 . 16120 1 1296 . 1 1 117 117 PHE CE1 C 13 131.258 0.3 . 1 . . . . 117 PHE CE1 . 16120 1 1297 . 1 1 117 117 PHE CE2 C 13 131.258 0.3 . 1 . . . . 117 PHE CE2 . 16120 1 1298 . 1 1 117 117 PHE N N 15 121.283 0.3 . 1 . . . . 117 PHE N . 16120 1 1299 . 1 1 118 118 GLY H H 1 8.037 0.020 . 1 . . . . 118 GLY H . 16120 1 1300 . 1 1 118 118 GLY HA2 H 1 3.705 0.020 . 1 . . . . 118 GLY HA2 . 16120 1 1301 . 1 1 118 118 GLY HA3 H 1 3.705 0.020 . 1 . . . . 118 GLY HA3 . 16120 1 1302 . 1 1 118 118 GLY C C 13 172.991 0.3 . 1 . . . . 118 GLY C . 16120 1 1303 . 1 1 118 118 GLY CA C 13 45.522 0.3 . 1 . . . . 118 GLY CA . 16120 1 1304 . 1 1 118 118 GLY N N 15 110.834 0.3 . 1 . . . . 118 GLY N . 16120 1 1305 . 1 1 119 119 ARG H H 1 7.647 0.020 . 1 . . . . 119 ARG H . 16120 1 1306 . 1 1 119 119 ARG HA H 1 4.088 0.020 . 1 . . . . 119 ARG HA . 16120 1 1307 . 1 1 119 119 ARG HB2 H 1 1.607 0.020 . 2 . . . . 119 ARG HB2 . 16120 1 1308 . 1 1 119 119 ARG HB3 H 1 1.779 0.020 . 2 . . . . 119 ARG HB3 . 16120 1 1309 . 1 1 119 119 ARG HD2 H 1 3.080 0.020 . 1 . . . . 119 ARG HD2 . 16120 1 1310 . 1 1 119 119 ARG HD3 H 1 3.080 0.020 . 1 . . . . 119 ARG HD3 . 16120 1 1311 . 1 1 119 119 ARG HG2 H 1 1.474 0.020 . 1 . . . . 119 ARG HG2 . 16120 1 1312 . 1 1 119 119 ARG HG3 H 1 1.474 0.020 . 1 . . . . 119 ARG HG3 . 16120 1 1313 . 1 1 119 119 ARG CA C 13 57.099 0.3 . 1 . . . . 119 ARG CA . 16120 1 1314 . 1 1 119 119 ARG CB C 13 31.400 0.3 . 1 . . . . 119 ARG CB . 16120 1 1315 . 1 1 119 119 ARG CD C 13 43.389 0.3 . 1 . . . . 119 ARG CD . 16120 1 1316 . 1 1 119 119 ARG CG C 13 27.157 0.3 . 1 . . . . 119 ARG CG . 16120 1 1317 . 1 1 119 119 ARG N N 15 125.335 0.3 . 1 . . . . 119 ARG N . 16120 1 stop_ save_