data_17314 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17314 _Entry.Title ; Solution Structure of a Nonphosphorylated Peptide Recognizing Domain ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2010-11-22 _Entry.Accession_date 2010-11-22 _Entry.Last_release_date 2012-07-25 _Entry.Original_release_date 2012-07-25 _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 NMR' _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 Kun Dai . . . 17314 2 Shanhui Liao . . . 17314 3 Jiahai Zhang . . . 17314 4 Xuecheng Zhang . . . 17314 5 Xiaoming Tu . . . 17314 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17314 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 17314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 388 17314 '15N chemical shifts' 97 17314 '1H chemical shifts' 678 17314 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-07-25 2010-11-22 original author . 17314 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L6K 'BMRB Entry Tracking System' 17314 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17314 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of a Nonphosphorylated Peptide Recognizing Domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Kun Dai . . . 17314 1 2 Shanhui Liao . . . 17314 1 3 Jiahai Zhang . . . 17314 1 4 Xuecheng Zhang . . . 17314 1 5 Xiaoming Tu . . . 17314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17314 _Assembly.ID 1 _Assembly.Name 'Nonphosphorylated Peptide Recognizing Domain' _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 'Nonphosphorylated Peptide Recognizing Domain' 1 $Protein_Domain A . yes native no no . . . 17314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Protein_Domain _Entity.Sf_category entity _Entity.Sf_framecode Protein_Domain _Entity.Entry_ID 17314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Protein_Domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDTSKFWYKPHLSRDQAIAL LKDKDPGAFLIRDSHSFQGA YGLALKVATPPPSAQPWKGD PVEQLVRHFLIETGPKGVKI KGCPSEPYFGSLSALVSQHS ISPISLPCCLRIPSKLEHHH HHH ; _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 123 _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 16472 . "SH2 Domain" . . . . . 92.68 131 100.00 100.00 6.87e-75 . . . . 17314 1 2 no PDB 2KNO . "Nmr Solution Structure Of Sh2 Domain Of The Human Tensin Like C1 Domain Containing Phosphatase (Tenc1)" . . . . . 92.68 131 100.00 100.00 6.87e-75 . . . . 17314 1 3 no PDB 2L6K . "Solution Structure Of A Nonphosphorylated Peptide Recognizing Domain" . . . . . 100.00 123 100.00 100.00 7.12e-83 . . . . 17314 1 4 no DBJ BAA83027 . "KIAA1075 protein [Homo sapiens]" . . . . . 93.50 1409 98.26 98.26 7.76e-67 . . . . 17314 1 5 no DBJ BAG09960 . "tensin-like C1 domain-containing phosphatase [synthetic construct]" . . . . . 93.50 1409 98.26 98.26 7.76e-67 . . . . 17314 1 6 no EMBL CAB70815 . "hypothetical protein [Homo sapiens]" . . . . . 93.50 649 99.13 99.13 5.63e-71 . . . . 17314 1 7 no EMBL CAH56176 . "hypothetical protein [Homo sapiens]" . . . . . 93.50 1398 98.26 98.26 8.35e-67 . . . . 17314 1 8 no GB AAH25818 . "Tenc1 protein, partial [Mus musculus]" . . . . . 93.50 655 97.39 98.26 7.53e-70 . . . . 17314 1 9 no GB AAH42190 . "Tensin like C1 domain-containing phosphatase [Mus musculus]" . . . . . 93.50 1400 97.39 98.26 2.37e-67 . . . . 17314 1 10 no GB AAH54099 . "TENC1 protein, partial [Homo sapiens]" . . . . . 93.50 949 98.26 98.26 2.45e-68 . . . . 17314 1 11 no GB AAI10855 . "TENC1 protein, partial [Homo sapiens]" . . . . . 93.50 1291 99.13 99.13 3.27e-68 . . . . 17314 1 12 no GB AAI29829 . "TENC1 protein [Homo sapiens]" . . . . . 93.50 1285 99.13 99.13 2.68e-68 . . . . 17314 1 13 no REF NP_056134 . "tensin-2 isoform 1 [Homo sapiens]" . . . . . 93.50 1419 99.13 99.13 3.59e-68 . . . . 17314 1 14 no REF NP_705761 . "tensin-2 [Mus musculus]" . . . . . 93.50 1400 97.39 98.26 2.37e-67 . . . . 17314 1 15 no REF NP_736610 . "tensin-2 isoform 2 [Homo sapiens]" . . . . . 93.50 1409 99.13 99.13 2.97e-68 . . . . 17314 1 16 no REF NP_938072 . "tensin-2 isoform 3 [Homo sapiens]" . . . . . 93.50 1285 99.13 99.13 2.68e-68 . . . . 17314 1 17 no REF XP_001102202 . "PREDICTED: tensin-like C1 domain-containing phosphatase isoform 3 [Macaca mulatta]" . . . . . 93.50 1398 97.39 98.26 7.50e-67 . . . . 17314 1 18 no SP Q63HR2 . "RecName: Full=Tensin-2; AltName: Full=C1 domain-containing phosphatase and tensin homolog; Short=C1-TEN; AltName: Full=Tensin-l" . . . . . 93.50 1409 99.13 99.13 2.97e-68 . . . . 17314 1 19 no SP Q8CGB6 . "RecName: Full=Tensin-2; AltName: Full=C1 domain-containing phosphatase and tensin homolog; Short=C1-TEN; AltName: Full=Tensin-l" . . . . . 93.50 1400 97.39 98.26 2.37e-67 . . . . 17314 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17314 1 2 . ASP . 17314 1 3 . THR . 17314 1 4 . SER . 17314 1 5 . LYS . 17314 1 6 . PHE . 17314 1 7 . TRP . 17314 1 8 . TYR . 17314 1 9 . LYS . 17314 1 10 . PRO . 17314 1 11 . HIS . 17314 1 12 . LEU . 17314 1 13 . SER . 17314 1 14 . ARG . 17314 1 15 . ASP . 17314 1 16 . GLN . 17314 1 17 . ALA . 17314 1 18 . ILE . 17314 1 19 . ALA . 17314 1 20 . LEU . 17314 1 21 . LEU . 17314 1 22 . LYS . 17314 1 23 . ASP . 17314 1 24 . LYS . 17314 1 25 . ASP . 17314 1 26 . PRO . 17314 1 27 . GLY . 17314 1 28 . ALA . 17314 1 29 . PHE . 17314 1 30 . LEU . 17314 1 31 . ILE . 17314 1 32 . ARG . 17314 1 33 . ASP . 17314 1 34 . SER . 17314 1 35 . HIS . 17314 1 36 . SER . 17314 1 37 . PHE . 17314 1 38 . GLN . 17314 1 39 . GLY . 17314 1 40 . ALA . 17314 1 41 . TYR . 17314 1 42 . GLY . 17314 1 43 . LEU . 17314 1 44 . ALA . 17314 1 45 . LEU . 17314 1 46 . LYS . 17314 1 47 . VAL . 17314 1 48 . ALA . 17314 1 49 . THR . 17314 1 50 . PRO . 17314 1 51 . PRO . 17314 1 52 . PRO . 17314 1 53 . SER . 17314 1 54 . ALA . 17314 1 55 . GLN . 17314 1 56 . PRO . 17314 1 57 . TRP . 17314 1 58 . LYS . 17314 1 59 . GLY . 17314 1 60 . ASP . 17314 1 61 . PRO . 17314 1 62 . VAL . 17314 1 63 . GLU . 17314 1 64 . GLN . 17314 1 65 . LEU . 17314 1 66 . VAL . 17314 1 67 . ARG . 17314 1 68 . HIS . 17314 1 69 . PHE . 17314 1 70 . LEU . 17314 1 71 . ILE . 17314 1 72 . GLU . 17314 1 73 . THR . 17314 1 74 . GLY . 17314 1 75 . PRO . 17314 1 76 . LYS . 17314 1 77 . GLY . 17314 1 78 . VAL . 17314 1 79 . LYS . 17314 1 80 . ILE . 17314 1 81 . LYS . 17314 1 82 . GLY . 17314 1 83 . CYS . 17314 1 84 . PRO . 17314 1 85 . SER . 17314 1 86 . GLU . 17314 1 87 . PRO . 17314 1 88 . TYR . 17314 1 89 . PHE . 17314 1 90 . GLY . 17314 1 91 . SER . 17314 1 92 . LEU . 17314 1 93 . SER . 17314 1 94 . ALA . 17314 1 95 . LEU . 17314 1 96 . VAL . 17314 1 97 . SER . 17314 1 98 . GLN . 17314 1 99 . HIS . 17314 1 100 . SER . 17314 1 101 . ILE . 17314 1 102 . SER . 17314 1 103 . PRO . 17314 1 104 . ILE . 17314 1 105 . SER . 17314 1 106 . LEU . 17314 1 107 . PRO . 17314 1 108 . CYS . 17314 1 109 . CYS . 17314 1 110 . LEU . 17314 1 111 . ARG . 17314 1 112 . ILE . 17314 1 113 . PRO . 17314 1 114 . SER . 17314 1 115 . LYS . 17314 1 116 . LEU . 17314 1 117 . GLU . 17314 1 118 . HIS . 17314 1 119 . HIS . 17314 1 120 . HIS . 17314 1 121 . HIS . 17314 1 122 . HIS . 17314 1 123 . HIS . 17314 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17314 1 . ASP 2 2 17314 1 . THR 3 3 17314 1 . SER 4 4 17314 1 . LYS 5 5 17314 1 . PHE 6 6 17314 1 . TRP 7 7 17314 1 . TYR 8 8 17314 1 . LYS 9 9 17314 1 . PRO 10 10 17314 1 . HIS 11 11 17314 1 . LEU 12 12 17314 1 . SER 13 13 17314 1 . ARG 14 14 17314 1 . ASP 15 15 17314 1 . GLN 16 16 17314 1 . ALA 17 17 17314 1 . ILE 18 18 17314 1 . ALA 19 19 17314 1 . LEU 20 20 17314 1 . LEU 21 21 17314 1 . LYS 22 22 17314 1 . ASP 23 23 17314 1 . LYS 24 24 17314 1 . ASP 25 25 17314 1 . PRO 26 26 17314 1 . GLY 27 27 17314 1 . ALA 28 28 17314 1 . PHE 29 29 17314 1 . LEU 30 30 17314 1 . ILE 31 31 17314 1 . ARG 32 32 17314 1 . ASP 33 33 17314 1 . SER 34 34 17314 1 . HIS 35 35 17314 1 . SER 36 36 17314 1 . PHE 37 37 17314 1 . GLN 38 38 17314 1 . GLY 39 39 17314 1 . ALA 40 40 17314 1 . TYR 41 41 17314 1 . GLY 42 42 17314 1 . LEU 43 43 17314 1 . ALA 44 44 17314 1 . LEU 45 45 17314 1 . LYS 46 46 17314 1 . VAL 47 47 17314 1 . ALA 48 48 17314 1 . THR 49 49 17314 1 . PRO 50 50 17314 1 . PRO 51 51 17314 1 . PRO 52 52 17314 1 . SER 53 53 17314 1 . ALA 54 54 17314 1 . GLN 55 55 17314 1 . PRO 56 56 17314 1 . TRP 57 57 17314 1 . LYS 58 58 17314 1 . GLY 59 59 17314 1 . ASP 60 60 17314 1 . PRO 61 61 17314 1 . VAL 62 62 17314 1 . GLU 63 63 17314 1 . GLN 64 64 17314 1 . LEU 65 65 17314 1 . VAL 66 66 17314 1 . ARG 67 67 17314 1 . HIS 68 68 17314 1 . PHE 69 69 17314 1 . LEU 70 70 17314 1 . ILE 71 71 17314 1 . GLU 72 72 17314 1 . THR 73 73 17314 1 . GLY 74 74 17314 1 . PRO 75 75 17314 1 . LYS 76 76 17314 1 . GLY 77 77 17314 1 . VAL 78 78 17314 1 . LYS 79 79 17314 1 . ILE 80 80 17314 1 . LYS 81 81 17314 1 . GLY 82 82 17314 1 . CYS 83 83 17314 1 . PRO 84 84 17314 1 . SER 85 85 17314 1 . GLU 86 86 17314 1 . PRO 87 87 17314 1 . TYR 88 88 17314 1 . PHE 89 89 17314 1 . GLY 90 90 17314 1 . SER 91 91 17314 1 . LEU 92 92 17314 1 . SER 93 93 17314 1 . ALA 94 94 17314 1 . LEU 95 95 17314 1 . VAL 96 96 17314 1 . SER 97 97 17314 1 . GLN 98 98 17314 1 . HIS 99 99 17314 1 . SER 100 100 17314 1 . ILE 101 101 17314 1 . SER 102 102 17314 1 . PRO 103 103 17314 1 . ILE 104 104 17314 1 . SER 105 105 17314 1 . LEU 106 106 17314 1 . PRO 107 107 17314 1 . CYS 108 108 17314 1 . CYS 109 109 17314 1 . LEU 110 110 17314 1 . ARG 111 111 17314 1 . ILE 112 112 17314 1 . PRO 113 113 17314 1 . SER 114 114 17314 1 . LYS 115 115 17314 1 . LEU 116 116 17314 1 . GLU 117 117 17314 1 . HIS 118 118 17314 1 . HIS 119 119 17314 1 . HIS 120 120 17314 1 . HIS 121 121 17314 1 . HIS 122 122 17314 1 . HIS 123 123 17314 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 17314 _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 $Protein_Domain 9606 . organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17314 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 17314 _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 $Protein_Domain . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET22 . . . . . . 17314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 17314 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Protein Domain' '[U-99% 13C; U-99% 15N]' . . 1 $Protein_Domain . . 0.6 . . mM . . . . 17314 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17314 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17314 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17314 1 5 Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 17314 1 6 glutamine 'natural abundance' . . . . . . 50 . . mM . . . . 17314 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17314 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17314 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 17314 _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 'ionic strength' 150 . mM 17314 1 pH 6.8 . pH 17314 1 pressure 1 . atm 17314 1 temperature 293 . K 17314 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17314 _Software.ID 1 _Software.Name CYANA _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' . . 17314 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17314 1 'Guntert, Mumenthaler and Wuthrich' . . 17314 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17314 1 processing 17314 1 'structure solution' 17314 1 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 17314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17314 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 500 . . . 17314 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 17314 _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 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17314 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17314 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17314 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17314 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17314 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17314 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17314 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17314 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17314 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17314 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 17314 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17314 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17314 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17314 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 17314 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17314 1 2 '3D CBCA(CO)NH' . . . 17314 1 3 '3D HNCACB' . . . 17314 1 4 '3D C(CO)NH' . . . 17314 1 4 '3D C(CO)NH' . . . 17314 1 5 '3D HBHA(CO)NH' . . . 17314 1 6 '3D H(CCO)NH' . . . 17314 1 8 '3D 1H-15N NOESY' . . . 17314 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 ASP HA H 1 4.780 1 . 1 . . . . 2 ASP HA . 17314 1 2 . 1 1 2 2 ASP HB2 H 1 2.683 2 . . . . . . 2 ASP HB2 . 17314 1 3 . 1 1 2 2 ASP HB3 H 1 2.683 2 . . . . . . 2 ASP HB3 . 17314 1 4 . 1 1 2 2 ASP C C 13 176.827 1 . 1 . . . . 2 ASP C . 17314 1 5 . 1 1 2 2 ASP CA C 13 53.905 1 . 1 . . . . 2 ASP CA . 17314 1 6 . 1 1 2 2 ASP CB C 13 41.123 1 . 1 . . . . 2 ASP CB . 17314 1 7 . 1 1 3 3 THR H H 1 8.680 1 . 1 . . . . 3 THR H . 17314 1 8 . 1 1 3 3 THR HA H 1 4.154 1 . 1 . . . . 3 THR HA . 17314 1 9 . 1 1 3 3 THR HB H 1 4.561 1 . 1 . . . . 3 THR HB . 17314 1 10 . 1 1 3 3 THR HG21 H 1 1.231 1 . 1 . . . . 3 THR MG . 17314 1 11 . 1 1 3 3 THR HG22 H 1 1.231 1 . 1 . . . . 3 THR MG . 17314 1 12 . 1 1 3 3 THR HG23 H 1 1.231 1 . 1 . . . . 3 THR MG . 17314 1 13 . 1 1 3 3 THR C C 13 175.185 1 . 1 . . . . 3 THR C . 17314 1 14 . 1 1 3 3 THR CA C 13 61.845 1 . 1 . . . . 3 THR CA . 17314 1 15 . 1 1 3 3 THR CB C 13 69.278 1 . 1 . . . . 3 THR CB . 17314 1 16 . 1 1 3 3 THR CG2 C 13 22.049 1 . 1 . . . . 3 THR CG2 . 17314 1 17 . 1 1 3 3 THR N N 15 115.872 1 . 1 . . . . 3 THR N . 17314 1 18 . 1 1 4 4 SER H H 1 8.147 1 . 1 . . . . 4 SER H . 17314 1 19 . 1 1 4 4 SER HA H 1 3.399 1 . 1 . . . . 4 SER HA . 17314 1 20 . 1 1 4 4 SER HB2 H 1 3.130 2 . . . . . . 4 SER HB2 . 17314 1 21 . 1 1 4 4 SER HB3 H 1 2.640 2 . . . . . . 4 SER HB3 . 17314 1 22 . 1 1 4 4 SER C C 13 175.042 1 . 1 . . . . 4 SER C . 17314 1 23 . 1 1 4 4 SER CA C 13 60.016 1 . 1 . . . . 4 SER CA . 17314 1 24 . 1 1 4 4 SER CB C 13 62.662 1 . 1 . . . . 4 SER CB . 17314 1 25 . 1 1 4 4 SER N N 15 118.884 1 . 1 . . . . 4 SER N . 17314 1 26 . 1 1 5 5 LYS H H 1 7.787 1 . 1 . . . . 5 LYS H . 17314 1 27 . 1 1 5 5 LYS HA H 1 3.926 1 . 1 . . . . 5 LYS HA . 17314 1 28 . 1 1 5 5 LYS HB2 H 1 1.289 2 . . . . . . 5 LYS HB2 . 17314 1 29 . 1 1 5 5 LYS HB3 H 1 1.113 2 . . . . . . 5 LYS HB3 . 17314 1 30 . 1 1 5 5 LYS HG2 H 1 0.917 2 . . . . . . 5 LYS HG2 . 17314 1 31 . 1 1 5 5 LYS HG3 H 1 0.779 2 . . . . . . 5 LYS HG3 . 17314 1 32 . 1 1 5 5 LYS HD2 H 1 1.372 2 . . . . . . 5 LYS HD2 . 17314 1 33 . 1 1 5 5 LYS HD3 H 1 1.372 2 . . . . . . 5 LYS HD3 . 17314 1 34 . 1 1 5 5 LYS HE2 H 1 2.738 2 . . . . . . 5 LYS HE2 . 17314 1 35 . 1 1 5 5 LYS HE3 H 1 2.738 2 . . . . . . 5 LYS HE3 . 17314 1 36 . 1 1 5 5 LYS C C 13 177.250 1 . 1 . . . . 5 LYS C . 17314 1 37 . 1 1 5 5 LYS CA C 13 56.781 1 . 1 . . . . 5 LYS CA . 17314 1 38 . 1 1 5 5 LYS CB C 13 31.272 1 . 1 . . . . 5 LYS CB . 17314 1 39 . 1 1 5 5 LYS CG C 13 24.052 1 . 1 . . . . 5 LYS CG . 17314 1 40 . 1 1 5 5 LYS CD C 13 29.302 1 . 1 . . . . 5 LYS CD . 17314 1 41 . 1 1 5 5 LYS N N 15 120.888 1 . 1 . . . . 5 LYS N . 17314 1 42 . 1 1 6 6 PHE H H 1 7.768 1 . 1 . . . . 6 PHE H . 17314 1 43 . 1 1 6 6 PHE HA H 1 4.447 1 . 1 . . . . 6 PHE HA . 17314 1 44 . 1 1 6 6 PHE HB2 H 1 3.135 2 . . . . . . 6 PHE HB2 . 17314 1 45 . 1 1 6 6 PHE HB3 H 1 2.975 2 . . . . . . 6 PHE HB3 . 17314 1 46 . 1 1 6 6 PHE C C 13 175.823 1 . 1 . . . . 6 PHE C . 17314 1 47 . 1 1 6 6 PHE CA C 13 58.208 1 . 1 . . . . 6 PHE CA . 17314 1 48 . 1 1 6 6 PHE CB C 13 38.944 1 . 1 . . . . 6 PHE CB . 17314 1 49 . 1 1 6 6 PHE N N 15 116.657 1 . 1 . . . . 6 PHE N . 17314 1 50 . 1 1 7 7 TRP H H 1 6.485 1 . 1 . . . . 7 TRP H . 17314 1 51 . 1 1 7 7 TRP HA H 1 4.615 1 . 1 . . . . 7 TRP HA . 17314 1 52 . 1 1 7 7 TRP HB2 H 1 3.104 2 . . . . . . 7 TRP HB2 . 17314 1 53 . 1 1 7 7 TRP HB3 H 1 2.357 2 . . . . . . 7 TRP HB3 . 17314 1 54 . 1 1 7 7 TRP C C 13 174.161 1 . 1 . . . . 7 TRP C . 17314 1 55 . 1 1 7 7 TRP CA C 13 55.319 1 . 1 . . . . 7 TRP CA . 17314 1 56 . 1 1 7 7 TRP CB C 13 32.015 1 . 1 . . . . 7 TRP CB . 17314 1 57 . 1 1 7 7 TRP N N 15 112.668 1 . 1 . . . . 7 TRP N . 17314 1 58 . 1 1 8 8 TYR H H 1 7.989 1 . 1 . . . . 8 TYR H . 17314 1 59 . 1 1 8 8 TYR HA H 1 5.472 1 . 1 . . . . 8 TYR HA . 17314 1 60 . 1 1 8 8 TYR HB2 H 1 2.594 2 . . . . . . 8 TYR HB2 . 17314 1 61 . 1 1 8 8 TYR HB3 H 1 2.384 2 . . . . . . 8 TYR HB3 . 17314 1 62 . 1 1 8 8 TYR C C 13 174.067 1 . 1 . . . . 8 TYR C . 17314 1 63 . 1 1 8 8 TYR CA C 13 55.218 1 . 1 . . . . 8 TYR CA . 17314 1 64 . 1 1 8 8 TYR CB C 13 36.288 1 . 1 . . . . 8 TYR CB . 17314 1 65 . 1 1 8 8 TYR N N 15 123.986 1 . 1 . . . . 8 TYR N . 17314 1 66 . 1 1 9 9 LYS H H 1 8.734 1 . 1 . . . . 9 LYS H . 17314 1 67 . 1 1 9 9 LYS HA H 1 4.800 1 . 1 . . . . 9 LYS HA . 17314 1 68 . 1 1 9 9 LYS HB2 H 1 1.636 2 . . . . . . 9 LYS HB2 . 17314 1 69 . 1 1 9 9 LYS HB3 H 1 1.636 2 . . . . . . 9 LYS HB3 . 17314 1 70 . 1 1 9 9 LYS HG2 H 1 1.168 2 . . . . . . 9 LYS HG2 . 17314 1 71 . 1 1 9 9 LYS HG3 H 1 0.739 2 . . . . . . 9 LYS HG3 . 17314 1 72 . 1 1 9 9 LYS HD2 H 1 1.464 2 . . . . . . 9 LYS HD2 . 17314 1 73 . 1 1 9 9 LYS HD3 H 1 1.464 2 . . . . . . 9 LYS HD3 . 17314 1 74 . 1 1 9 9 LYS HE2 H 1 3.316 2 . . . . . . 9 LYS HE2 . 17314 1 75 . 1 1 9 9 LYS HE3 H 1 3.316 2 . . . . . . 9 LYS HE3 . 17314 1 76 . 1 1 9 9 LYS C C 13 172.972 1 . 1 . . . . 9 LYS C . 17314 1 77 . 1 1 9 9 LYS CA C 13 52.214 1 . 1 . . . . 9 LYS CA . 17314 1 78 . 1 1 10 10 PRO HA H 1 3.759 1 . 1 . . . . 10 PRO HA . 17314 1 79 . 1 1 10 10 PRO HB2 H 1 1.316 2 . . . . . . 10 PRO HB2 . 17314 1 80 . 1 1 10 10 PRO HB3 H 1 2.039 2 . . . . . . 10 PRO HB3 . 17314 1 81 . 1 1 10 10 PRO HG2 H 1 1.628 2 . . . . . . 10 PRO HG2 . 17314 1 82 . 1 1 10 10 PRO HG3 H 1 1.628 2 . . . . . . 10 PRO HG3 . 17314 1 83 . 1 1 10 10 PRO C C 13 178.179 1 . 1 . . . . 10 PRO C . 17314 1 84 . 1 1 10 10 PRO CA C 13 64.186 1 . 1 . . . . 10 PRO CA . 17314 1 85 . 1 1 10 10 PRO CB C 13 31.957 1 . 1 . . . . 10 PRO CB . 17314 1 86 . 1 1 10 10 PRO CG C 13 26.765 1 . 1 . . . . 10 PRO CG . 17314 1 87 . 1 1 11 11 HIS H H 1 8.097 1 . 1 . . . . 11 HIS H . 17314 1 88 . 1 1 11 11 HIS HA H 1 4.651 1 . 1 . . . . 11 HIS HA . 17314 1 89 . 1 1 11 11 HIS HB2 H 1 3.217 2 . . . . . . 11 HIS HB2 . 17314 1 90 . 1 1 11 11 HIS HB3 H 1 3.026 2 . . . . . . 11 HIS HB3 . 17314 1 91 . 1 1 11 11 HIS C C 13 175.762 1 . 1 . . . . 11 HIS C . 17314 1 92 . 1 1 11 11 HIS CA C 13 55.502 1 . 1 . . . . 11 HIS CA . 17314 1 93 . 1 1 11 11 HIS CB C 13 29.806 1 . 1 . . . . 11 HIS CB . 17314 1 94 . 1 1 11 11 HIS N N 15 110.157 1 . 1 . . . . 11 HIS N . 17314 1 95 . 1 1 12 12 LEU H H 1 7.098 1 . 1 . . . . 12 LEU H . 17314 1 96 . 1 1 12 12 LEU HA H 1 4.328 1 . 1 . . . . 12 LEU HA . 17314 1 97 . 1 1 12 12 LEU HB2 H 1 1.526 2 . . . . . . 12 LEU HB2 . 17314 1 98 . 1 1 12 12 LEU HB3 H 1 1.526 2 . . . . . . 12 LEU HB3 . 17314 1 99 . 1 1 12 12 LEU HG H 1 2.300 1 . 1 . . . . 12 LEU HG . 17314 1 100 . 1 1 12 12 LEU HD11 H 1 0.676 2 . . . . . . 12 LEU MD1 . 17314 1 101 . 1 1 12 12 LEU HD12 H 1 0.676 2 . . . . . . 12 LEU MD1 . 17314 1 102 . 1 1 12 12 LEU HD13 H 1 0.676 2 . . . . . . 12 LEU MD1 . 17314 1 103 . 1 1 12 12 LEU HD21 H 1 0.734 2 . . . . . . 12 LEU MD2 . 17314 1 104 . 1 1 12 12 LEU HD22 H 1 0.734 2 . . . . . . 12 LEU MD2 . 17314 1 105 . 1 1 12 12 LEU HD23 H 1 0.734 2 . . . . . . 12 LEU MD2 . 17314 1 106 . 1 1 12 12 LEU C C 13 177.224 1 . 1 . . . . 12 LEU C . 17314 1 107 . 1 1 12 12 LEU CA C 13 55.078 1 . 1 . . . . 12 LEU CA . 17314 1 108 . 1 1 12 12 LEU CB C 13 43.240 1 . 1 . . . . 12 LEU CB . 17314 1 109 . 1 1 12 12 LEU CG C 13 23.791 1 . 1 . . . . 12 LEU CG . 17314 1 110 . 1 1 12 12 LEU N N 15 120.938 1 . 1 . . . . 12 LEU N . 17314 1 111 . 1 1 13 13 SER H H 1 8.834 1 . 1 . . . . 13 SER H . 17314 1 112 . 1 1 13 13 SER HA H 1 4.589 1 . 1 . . . . 13 SER HA . 17314 1 113 . 1 1 13 13 SER HB2 H 1 3.935 2 . . . . . . 13 SER HB2 . 17314 1 114 . 1 1 13 13 SER HB3 H 1 4.333 2 . . . . . . 13 SER HB3 . 17314 1 115 . 1 1 13 13 SER C C 13 174.978 1 . 1 . . . . 13 SER C . 17314 1 116 . 1 1 13 13 SER CA C 13 56.340 1 . 1 . . . . 13 SER CA . 17314 1 117 . 1 1 13 13 SER CB C 13 65.855 1 . 1 . . . . 13 SER CB . 17314 1 118 . 1 1 13 13 SER N N 15 118.712 1 . 1 . . . . 13 SER N . 17314 1 119 . 1 1 14 14 ARG H H 1 9.233 1 . 1 . . . . 14 ARG H . 17314 1 120 . 1 1 14 14 ARG HA H 1 3.610 1 . 1 . . . . 14 ARG HA . 17314 1 121 . 1 1 14 14 ARG HB2 H 1 1.663 2 . . . . . . 14 ARG HB2 . 17314 1 122 . 1 1 14 14 ARG HB3 H 1 1.663 2 . . . . . . 14 ARG HB3 . 17314 1 123 . 1 1 14 14 ARG HG2 H 1 1.204 2 . . . . . . 14 ARG HG2 . 17314 1 124 . 1 1 14 14 ARG HG3 H 1 1.136 2 . . . . . . 14 ARG HG3 . 17314 1 125 . 1 1 14 14 ARG HD2 H 1 2.739 2 . . . . . . 14 ARG HD2 . 17314 1 126 . 1 1 14 14 ARG HD3 H 1 2.739 2 . . . . . . 14 ARG HD3 . 17314 1 127 . 1 1 14 14 ARG C C 13 178.038 1 . 1 . . . . 14 ARG C . 17314 1 128 . 1 1 14 14 ARG CA C 13 60.859 1 . 1 . . . . 14 ARG CA . 17314 1 129 . 1 1 14 14 ARG CB C 13 30.527 1 . 1 . . . . 14 ARG CB . 17314 1 130 . 1 1 14 14 ARG CG C 13 27.946 1 . 1 . . . . 14 ARG CG . 17314 1 131 . 1 1 14 14 ARG CD C 13 42.947 1 . 1 . . . . 14 ARG CD . 17314 1 132 . 1 1 14 14 ARG N N 15 123.117 1 . 1 . . . . 14 ARG N . 17314 1 133 . 1 1 15 15 ASP H H 1 8.383 1 . 1 . . . . 15 ASP H . 17314 1 134 . 1 1 15 15 ASP HA H 1 4.349 1 . 1 . . . . 15 ASP HA . 17314 1 135 . 1 1 15 15 ASP HB2 H 1 2.507 2 . . . . . . 15 ASP HB2 . 17314 1 136 . 1 1 15 15 ASP HB3 H 1 2.421 2 . . . . . . 15 ASP HB3 . 17314 1 137 . 1 1 15 15 ASP C C 13 179.879 1 . 1 . . . . 15 ASP C . 17314 1 138 . 1 1 15 15 ASP CA C 13 57.469 1 . 1 . . . . 15 ASP CA . 17314 1 139 . 1 1 15 15 ASP CB C 13 40.342 1 . 1 . . . . 15 ASP CB . 17314 1 140 . 1 1 15 15 ASP N N 15 115.564 1 . 1 . . . . 15 ASP N . 17314 1 141 . 1 1 16 16 GLN H H 1 7.931 1 . 1 . . . . 16 GLN H . 17314 1 142 . 1 1 16 16 GLN HA H 1 3.999 1 . 1 . . . . 16 GLN HA . 17314 1 143 . 1 1 16 16 GLN HB2 H 1 1.855 2 . . . . . . 16 GLN HB2 . 17314 1 144 . 1 1 16 16 GLN HB3 H 1 1.855 2 . . . . . . 16 GLN HB3 . 17314 1 145 . 1 1 16 16 GLN HG2 H 1 2.357 2 . . . . . . 16 GLN HG2 . 17314 1 146 . 1 1 16 16 GLN HG3 H 1 2.357 2 . . . . . . 16 GLN HG3 . 17314 1 147 . 1 1 16 16 GLN C C 13 178.709 1 . 1 . . . . 16 GLN C . 17314 1 148 . 1 1 16 16 GLN CA C 13 58.296 1 . 1 . . . . 16 GLN CA . 17314 1 149 . 1 1 16 16 GLN CB C 13 29.274 1 . 1 . . . . 16 GLN CB . 17314 1 150 . 1 1 16 16 GLN CG C 13 34.805 1 . 1 . . . . 16 GLN CG . 17314 1 151 . 1 1 16 16 GLN N N 15 120.606 1 . 1 . . . . 16 GLN N . 17314 1 152 . 1 1 17 17 ALA H H 1 8.280 1 . 1 . . . . 17 ALA H . 17314 1 153 . 1 1 17 17 ALA HA H 1 3.911 1 . 1 . . . . 17 ALA HA . 17314 1 154 . 1 1 17 17 ALA HB1 H 1 1.372 1 . 1 . . . . 17 ALA MB . 17314 1 155 . 1 1 17 17 ALA HB2 H 1 1.372 1 . 1 . . . . 17 ALA MB . 17314 1 156 . 1 1 17 17 ALA HB3 H 1 1.372 1 . 1 . . . . 17 ALA MB . 17314 1 157 . 1 1 17 17 ALA C C 13 178.515 1 . 1 . . . . 17 ALA C . 17314 1 158 . 1 1 17 17 ALA CA C 13 55.245 1 . 1 . . . . 17 ALA CA . 17314 1 159 . 1 1 17 17 ALA CB C 13 17.639 1 . 1 . . . . 17 ALA CB . 17314 1 160 . 1 1 17 17 ALA N N 15 122.305 1 . 1 . . . . 17 ALA N . 17314 1 161 . 1 1 18 18 ILE H H 1 8.037 1 . 1 . . . . 18 ILE H . 17314 1 162 . 1 1 18 18 ILE HA H 1 3.402 1 . 1 . . . . 18 ILE HA . 17314 1 163 . 1 1 18 18 ILE HB H 1 1.884 1 . 1 . . . . 18 ILE HB . 17314 1 164 . 1 1 18 18 ILE HG12 H 1 1.684 2 . . . . . . 18 ILE HG12 . 17314 1 165 . 1 1 18 18 ILE HG13 H 1 1.684 2 . . . . . . 18 ILE HG13 . 17314 1 166 . 1 1 18 18 ILE HG21 H 1 0.911 1 . 1 . . . . 18 ILE MG . 17314 1 167 . 1 1 18 18 ILE HG22 H 1 0.911 1 . 1 . . . . 18 ILE MG . 17314 1 168 . 1 1 18 18 ILE HG23 H 1 0.911 1 . 1 . . . . 18 ILE MG . 17314 1 169 . 1 1 18 18 ILE HD11 H 1 0.407 1 . 1 . . . . 18 ILE MD . 17314 1 170 . 1 1 18 18 ILE HD12 H 1 0.407 1 . 1 . . . . 18 ILE MD . 17314 1 171 . 1 1 18 18 ILE HD13 H 1 0.407 1 . 1 . . . . 18 ILE MD . 17314 1 172 . 1 1 18 18 ILE C C 13 177.562 1 . 1 . . . . 18 ILE C . 17314 1 173 . 1 1 18 18 ILE CA C 13 66.272 1 . 1 . . . . 18 ILE CA . 17314 1 174 . 1 1 18 18 ILE CB C 13 38.742 1 . 1 . . . . 18 ILE CB . 17314 1 175 . 1 1 18 18 ILE CG2 C 13 17.376 2 . 1 . . . . 18 ILE CG2 . 17314 1 176 . 1 1 18 18 ILE N N 15 116.215 1 . 1 . . . . 18 ILE N . 17314 1 177 . 1 1 19 19 ALA H H 1 7.586 1 . 1 . . . . 19 ALA H . 17314 1 178 . 1 1 19 19 ALA HA H 1 3.908 1 . 1 . . . . 19 ALA HA . 17314 1 179 . 1 1 19 19 ALA HB1 H 1 1.406 1 . 1 . . . . 19 ALA MB . 17314 1 180 . 1 1 19 19 ALA HB2 H 1 1.406 1 . 1 . . . . 19 ALA MB . 17314 1 181 . 1 1 19 19 ALA HB3 H 1 1.406 1 . 1 . . . . 19 ALA MB . 17314 1 182 . 1 1 19 19 ALA C C 13 180.308 1 . 1 . . . . 19 ALA C . 17314 1 183 . 1 1 19 19 ALA CA C 13 55.213 1 . 1 . . . . 19 ALA CA . 17314 1 184 . 1 1 19 19 ALA CB C 13 18.168 1 . 1 . . . . 19 ALA CB . 17314 1 185 . 1 1 19 19 ALA N N 15 119.479 1 . 1 . . . . 19 ALA N . 17314 1 186 . 1 1 20 20 LEU H H 1 7.648 1 . 1 . . . . 20 LEU H . 17314 1 187 . 1 1 20 20 LEU HA H 1 4.087 1 . 1 . . . . 20 LEU HA . 17314 1 188 . 1 1 20 20 LEU HB2 H 1 1.684 2 . . . . . . 20 LEU HB2 . 17314 1 189 . 1 1 20 20 LEU HB3 H 1 1.429 2 . . . . . . 20 LEU HB3 . 17314 1 190 . 1 1 20 20 LEU HG H 1 1.159 1 . 1 . . . . 20 LEU HG . 17314 1 191 . 1 1 20 20 LEU HD11 H 1 0.776 2 . . . . . . 20 LEU MD1 . 17314 1 192 . 1 1 20 20 LEU HD12 H 1 0.776 2 . . . . . . 20 LEU MD1 . 17314 1 193 . 1 1 20 20 LEU HD13 H 1 0.776 2 . . . . . . 20 LEU MD1 . 17314 1 194 . 1 1 20 20 LEU HD21 H 1 0.776 2 . . . . . . 20 LEU MD2 . 17314 1 195 . 1 1 20 20 LEU HD22 H 1 0.776 2 . . . . . . 20 LEU MD2 . 17314 1 196 . 1 1 20 20 LEU HD23 H 1 0.776 2 . . . . . . 20 LEU MD2 . 17314 1 197 . 1 1 20 20 LEU C C 13 178.794 1 . 1 . . . . 20 LEU C . 17314 1 198 . 1 1 20 20 LEU CA C 13 56.860 1 . 1 . . . . 20 LEU CA . 17314 1 199 . 1 1 20 20 LEU CB C 13 42.860 1 . 1 . . . . 20 LEU CB . 17314 1 200 . 1 1 20 20 LEU CG C 13 25.737 1 . 1 . . . . 20 LEU CG . 17314 1 201 . 1 1 20 20 LEU CD1 C 13 23.861 2 . . . . . . 20 LEU CD1 . 17314 1 202 . 1 1 20 20 LEU CD2 C 13 23.861 2 . . . . . . 20 LEU CD2 . 17314 1 203 . 1 1 20 20 LEU N N 15 116.782 1 . 1 . . . . 20 LEU N . 17314 1 204 . 1 1 21 21 LEU H H 1 7.514 1 . 1 . . . . 21 LEU H . 17314 1 205 . 1 1 21 21 LEU HA H 1 4.264 1 . 1 . . . . 21 LEU HA . 17314 1 206 . 1 1 21 21 LEU HB2 H 1 1.642 2 . . . . . . 21 LEU HB2 . 17314 1 207 . 1 1 21 21 LEU HB3 H 1 1.642 2 . . . . . . 21 LEU HB3 . 17314 1 208 . 1 1 21 21 LEU HD11 H 1 0.764 2 . . . . . . 21 LEU MD1 . 17314 1 209 . 1 1 21 21 LEU HD12 H 1 0.764 2 . . . . . . 21 LEU MD1 . 17314 1 210 . 1 1 21 21 LEU HD13 H 1 0.764 2 . . . . . . 21 LEU MD1 . 17314 1 211 . 1 1 21 21 LEU HD21 H 1 0.570 2 . . . . . . 21 LEU MD2 . 17314 1 212 . 1 1 21 21 LEU HD22 H 1 0.570 2 . . . . . . 21 LEU MD2 . 17314 1 213 . 1 1 21 21 LEU HD23 H 1 0.570 2 . . . . . . 21 LEU MD2 . 17314 1 214 . 1 1 21 21 LEU CA C 13 55.281 1 . 1 . . . . 21 LEU CA . 17314 1 215 . 1 1 21 21 LEU CB C 13 44.483 1 . 1 . . . . 21 LEU CB . 17314 1 216 . 1 1 21 21 LEU N N 15 117.243 1 . 1 . . . . 21 LEU N . 17314 1 217 . 1 1 22 22 LYS H H 1 7.965 1 . 1 . . . . 22 LYS H . 17314 1 218 . 1 1 22 22 LYS HA H 1 3.650 1 . 1 . . . . 22 LYS HA . 17314 1 219 . 1 1 22 22 LYS HB2 H 1 1.780 2 . . . . . . 22 LYS HB2 . 17314 1 220 . 1 1 22 22 LYS HB3 H 1 1.780 2 . . . . . . 22 LYS HB3 . 17314 1 221 . 1 1 22 22 LYS HG2 H 1 1.290 2 . . . . . . 22 LYS HG2 . 17314 1 222 . 1 1 22 22 LYS HG3 H 1 1.290 2 . . . . . . 22 LYS HG3 . 17314 1 223 . 1 1 22 22 LYS HD2 H 1 1.469 2 . . . . . . 22 LYS HD2 . 17314 1 224 . 1 1 22 22 LYS HD3 H 1 1.469 2 . . . . . . 22 LYS HD3 . 17314 1 225 . 1 1 22 22 LYS HE2 H 1 2.943 2 . . . . . . 22 LYS HE2 . 17314 1 226 . 1 1 22 22 LYS HE3 H 1 2.943 2 . . . . . . 22 LYS HE3 . 17314 1 227 . 1 1 22 22 LYS C C 13 176.464 1 . 1 . . . . 22 LYS C . 17314 1 228 . 1 1 22 22 LYS CA C 13 60.676 1 . 1 . . . . 22 LYS CA . 17314 1 229 . 1 1 22 22 LYS CB C 13 34.698 1 . 1 . . . . 22 LYS CB . 17314 1 230 . 1 1 22 22 LYS CG C 13 23.662 1 . 1 . . . . 22 LYS CG . 17314 1 231 . 1 1 22 22 LYS CE C 13 42.090 2 . 1 . . . . 22 LYS CE . 17314 1 232 . 1 1 22 22 LYS N N 15 118.351 1 . 1 . . . . 22 LYS N . 17314 1 233 . 1 1 23 23 ASP H H 1 8.408 1 . 1 . . . . 23 ASP H . 17314 1 234 . 1 1 23 23 ASP HA H 1 4.862 1 . 1 . . . . 23 ASP HA . 17314 1 235 . 1 1 23 23 ASP HB2 H 1 2.696 2 . . . . . . 23 ASP HB2 . 17314 1 236 . 1 1 23 23 ASP HB3 H 1 2.586 2 . . . . . . 23 ASP HB3 . 17314 1 237 . 1 1 23 23 ASP C C 13 176.512 1 . 1 . . . . 23 ASP C . 17314 1 238 . 1 1 23 23 ASP CA C 13 53.488 1 . 1 . . . . 23 ASP CA . 17314 1 239 . 1 1 23 23 ASP CB C 13 40.852 1 . 1 . . . . 23 ASP CB . 17314 1 240 . 1 1 23 23 ASP N N 15 117.465 1 . 1 . . . . 23 ASP N . 17314 1 241 . 1 1 24 24 LYS H H 1 7.390 1 . 1 . . . . 24 LYS H . 17314 1 242 . 1 1 24 24 LYS HA H 1 4.380 1 . 1 . . . . 24 LYS HA . 17314 1 243 . 1 1 24 24 LYS HB2 H 1 1.825 2 . . . . . . 24 LYS HB2 . 17314 1 244 . 1 1 24 24 LYS HB3 H 1 1.825 2 . . . . . . 24 LYS HB3 . 17314 1 245 . 1 1 24 24 LYS HG2 H 1 1.469 2 . . . . . . 24 LYS HG2 . 17314 1 246 . 1 1 24 24 LYS HG3 H 1 1.469 2 . . . . . . 24 LYS HG3 . 17314 1 247 . 1 1 24 24 LYS HD2 H 1 1.876 2 . . . . . . 24 LYS HD2 . 17314 1 248 . 1 1 24 24 LYS HD3 H 1 1.876 2 . . . . . . 24 LYS HD3 . 17314 1 249 . 1 1 24 24 LYS HE2 H 1 2.970 2 . . . . . . 24 LYS HE2 . 17314 1 250 . 1 1 24 24 LYS HE3 H 1 2.970 2 . . . . . . 24 LYS HE3 . 17314 1 251 . 1 1 24 24 LYS C C 13 175.493 1 . 1 . . . . 24 LYS C . 17314 1 252 . 1 1 24 24 LYS CA C 13 53.639 1 . 1 . . . . 24 LYS CA . 17314 1 253 . 1 1 24 24 LYS CB C 13 33.012 1 . 1 . . . . 24 LYS CB . 17314 1 254 . 1 1 24 24 LYS N N 15 118.652 1 . 1 . . . . 24 LYS N . 17314 1 255 . 1 1 25 25 ASP H H 1 8.415 1 . 1 . . . . 25 ASP H . 17314 1 256 . 1 1 25 25 ASP HB2 H 1 2.602 2 . . . . . . 25 ASP HB2 . 17314 1 257 . 1 1 25 25 ASP HB3 H 1 2.361 2 . . . . . . 25 ASP HB3 . 17314 1 258 . 1 1 25 25 ASP C C 13 173.623 1 . 1 . . . . 25 ASP C . 17314 1 259 . 1 1 25 25 ASP N N 15 120.351 1 . 1 . . . . 25 ASP N . 17314 1 260 . 1 1 26 26 PRO HA H 1 3.865 1 . 1 . . . . 26 PRO HA . 17314 1 261 . 1 1 26 26 PRO HB2 H 1 2.090 2 . . . . . . 26 PRO HB2 . 17314 1 262 . 1 1 26 26 PRO HB3 H 1 1.874 2 . . . . . . 26 PRO HB3 . 17314 1 263 . 1 1 26 26 PRO HG2 H 1 1.703 2 . . . . . . 26 PRO HG2 . 17314 1 264 . 1 1 26 26 PRO HG3 H 1 1.703 2 . . . . . . 26 PRO HG3 . 17314 1 265 . 1 1 26 26 PRO HD2 H 1 3.509 2 . . . . . . 26 PRO HD2 . 17314 1 266 . 1 1 26 26 PRO HD3 H 1 3.509 2 . . . . . . 26 PRO HD3 . 17314 1 267 . 1 1 26 26 PRO C C 13 176.820 1 . 1 . . . . 26 PRO C . 17314 1 268 . 1 1 26 26 PRO CA C 13 63.805 1 . 1 . . . . 26 PRO CA . 17314 1 269 . 1 1 26 26 PRO CB C 13 31.621 1 . 1 . . . . 26 PRO CB . 17314 1 270 . 1 1 26 26 PRO CG C 13 28.512 1 . 1 . . . . 26 PRO CG . 17314 1 271 . 1 1 27 27 GLY H H 1 9.276 1 . 1 . . . . 27 GLY H . 17314 1 272 . 1 1 27 27 GLY HA2 H 1 4.492 2 . . . . . . 27 GLY HA2 . 17314 1 273 . 1 1 27 27 GLY HA3 H 1 3.524 2 . . . . . . 27 GLY HA3 . 17314 1 274 . 1 1 27 27 GLY C C 13 174.086 1 . 1 . . . . 27 GLY C . 17314 1 275 . 1 1 27 27 GLY CA C 13 45.485 1 . 1 . . . . 27 GLY CA . 17314 1 276 . 1 1 27 27 GLY N N 15 115.065 1 . 1 . . . . 27 GLY N . 17314 1 277 . 1 1 28 28 ALA H H 1 7.887 1 . 1 . . . . 28 ALA H . 17314 1 278 . 1 1 28 28 ALA HA H 1 4.647 1 . 1 . . . . 28 ALA HA . 17314 1 279 . 1 1 28 28 ALA HB1 H 1 1.410 1 . 1 . . . . 28 ALA MB . 17314 1 280 . 1 1 28 28 ALA HB2 H 1 1.410 1 . 1 . . . . 28 ALA MB . 17314 1 281 . 1 1 28 28 ALA HB3 H 1 1.410 1 . 1 . . . . 28 ALA MB . 17314 1 282 . 1 1 28 28 ALA C C 13 175.810 1 . 1 . . . . 28 ALA C . 17314 1 283 . 1 1 28 28 ALA CA C 13 52.953 1 . 1 . . . . 28 ALA CA . 17314 1 284 . 1 1 28 28 ALA CB C 13 19.903 1 . 1 . . . . 28 ALA CB . 17314 1 285 . 1 1 28 28 ALA N N 15 124.813 1 . 1 . . . . 28 ALA N . 17314 1 286 . 1 1 29 29 PHE H H 1 8.056 1 . 1 . . . . 29 PHE H . 17314 1 287 . 1 1 29 29 PHE HA H 1 5.837 1 . 1 . . . . 29 PHE HA . 17314 1 288 . 1 1 29 29 PHE HB2 H 1 3.067 2 . . . . . . 29 PHE HB2 . 17314 1 289 . 1 1 29 29 PHE HB3 H 1 2.917 2 . . . . . . 29 PHE HB3 . 17314 1 290 . 1 1 29 29 PHE C C 13 172.650 1 . 1 . . . . 29 PHE C . 17314 1 291 . 1 1 29 29 PHE CA C 13 55.613 1 . 1 . . . . 29 PHE CA . 17314 1 292 . 1 1 29 29 PHE CB C 13 43.541 1 . 1 . . . . 29 PHE CB . 17314 1 293 . 1 1 29 29 PHE N N 15 116.621 1 . 1 . . . . 29 PHE N . 17314 1 294 . 1 1 30 30 LEU H H 1 8.805 1 . 1 . . . . 30 LEU H . 17314 1 295 . 1 1 30 30 LEU HA H 1 4.801 1 . 1 . . . . 30 LEU HA . 17314 1 296 . 1 1 30 30 LEU HB2 H 1 1.473 2 . . . . . . 30 LEU HB2 . 17314 1 297 . 1 1 30 30 LEU HB3 H 1 1.473 2 . . . . . . 30 LEU HB3 . 17314 1 298 . 1 1 30 30 LEU HD11 H 1 0.846 2 . . . . . . 30 LEU MD1 . 17314 1 299 . 1 1 30 30 LEU HD12 H 1 0.846 2 . . . . . . 30 LEU MD1 . 17314 1 300 . 1 1 30 30 LEU HD13 H 1 0.846 2 . . . . . . 30 LEU MD1 . 17314 1 301 . 1 1 30 30 LEU HD21 H 1 0.603 2 . . . . . . 30 LEU MD2 . 17314 1 302 . 1 1 30 30 LEU HD22 H 1 0.603 2 . . . . . . 30 LEU MD2 . 17314 1 303 . 1 1 30 30 LEU HD23 H 1 0.603 2 . . . . . . 30 LEU MD2 . 17314 1 304 . 1 1 30 30 LEU C C 13 175.442 1 . 1 . . . . 30 LEU C . 17314 1 305 . 1 1 30 30 LEU CA C 13 54.106 1 . 1 . . . . 30 LEU CA . 17314 1 306 . 1 1 30 30 LEU CB C 13 48.031 1 . 1 . . . . 30 LEU CB . 17314 1 307 . 1 1 30 30 LEU CG C 13 26.811 1 . 1 . . . . 30 LEU CG . 17314 1 308 . 1 1 30 30 LEU N N 15 117.140 1 . 1 . . . . 30 LEU N . 17314 1 309 . 1 1 31 31 ILE H H 1 9.330 1 . 1 . . . . 31 ILE H . 17314 1 310 . 1 1 31 31 ILE HA H 1 5.462 1 . 1 . . . . 31 ILE HA . 17314 1 311 . 1 1 31 31 ILE HB H 1 2.033 1 . 1 . . . . 31 ILE HB . 17314 1 312 . 1 1 31 31 ILE HG12 H 1 0.571 2 . . . . . . 31 ILE HG12 . 17314 1 313 . 1 1 31 31 ILE HG13 H 1 0.571 2 . . . . . . 31 ILE HG13 . 17314 1 314 . 1 1 31 31 ILE HG21 H 1 1.025 1 . 1 . . . . 31 ILE MG . 17314 1 315 . 1 1 31 31 ILE HG22 H 1 1.025 1 . 1 . . . . 31 ILE MG . 17314 1 316 . 1 1 31 31 ILE HG23 H 1 1.025 1 . 1 . . . . 31 ILE MG . 17314 1 317 . 1 1 31 31 ILE C C 13 172.590 1 . 1 . . . . 31 ILE C . 17314 1 318 . 1 1 31 31 ILE CA C 13 60.176 1 . 1 . . . . 31 ILE CA . 17314 1 319 . 1 1 31 31 ILE CB C 13 39.823 1 . 1 . . . . 31 ILE CB . 17314 1 320 . 1 1 31 31 ILE CG2 C 13 18.864 2 . 1 . . . . 31 ILE CG2 . 17314 1 321 . 1 1 31 31 ILE CD1 C 13 13.842 2 . 1 . . . . 31 ILE CD1 . 17314 1 322 . 1 1 31 31 ILE N N 15 121.052 1 . 1 . . . . 31 ILE N . 17314 1 323 . 1 1 32 32 ARG H H 1 9.237 1 . 1 . . . . 32 ARG H . 17314 1 324 . 1 1 32 32 ARG HA H 1 5.168 1 . 1 . . . . 32 ARG HA . 17314 1 325 . 1 1 32 32 ARG HB2 H 1 1.873 2 . . . . . . 32 ARG HB2 . 17314 1 326 . 1 1 32 32 ARG HB3 H 1 1.873 2 . . . . . . 32 ARG HB3 . 17314 1 327 . 1 1 32 32 ARG HG2 H 1 1.616 2 . . . . . . 32 ARG HG2 . 17314 1 328 . 1 1 32 32 ARG HG3 H 1 1.383 2 . . . . . . 32 ARG HG3 . 17314 1 329 . 1 1 32 32 ARG HD2 H 1 3.753 2 . . . . . . 32 ARG HD2 . 17314 1 330 . 1 1 32 32 ARG HD3 H 1 3.753 2 . . . . . . 32 ARG HD3 . 17314 1 331 . 1 1 32 32 ARG C C 13 174.926 1 . 1 . . . . 32 ARG C . 17314 1 332 . 1 1 32 32 ARG CA C 13 52.727 1 . 1 . . . . 32 ARG CA . 17314 1 333 . 1 1 32 32 ARG CB C 13 34.283 1 . 1 . . . . 32 ARG CB . 17314 1 334 . 1 1 32 32 ARG CG C 13 26.187 1 . 1 . . . . 32 ARG CG . 17314 1 335 . 1 1 32 32 ARG CD C 13 43.014 1 . 1 . . . . 32 ARG CD . 17314 1 336 . 1 1 32 32 ARG N N 15 125.069 1 . 1 . . . . 32 ARG N . 17314 1 337 . 1 1 33 33 ASP H H 1 8.883 1 . 1 . . . . 33 ASP H . 17314 1 338 . 1 1 33 33 ASP HA H 1 4.947 1 . 1 . . . . 33 ASP HA . 17314 1 339 . 1 1 33 33 ASP HB2 H 1 2.706 2 . . . . . . 33 ASP HB2 . 17314 1 340 . 1 1 33 33 ASP HB3 H 1 2.481 2 . . . . . . 33 ASP HB3 . 17314 1 341 . 1 1 33 33 ASP C C 13 176.031 1 . 1 . . . . 33 ASP C . 17314 1 342 . 1 1 33 33 ASP CA C 13 55.403 1 . 1 . . . . 33 ASP CA . 17314 1 343 . 1 1 33 33 ASP CB C 13 39.399 1 . 1 . . . . 33 ASP CB . 17314 1 344 . 1 1 33 33 ASP N N 15 124.161 1 . 1 . . . . 33 ASP N . 17314 1 345 . 1 1 34 34 SER H H 1 7.864 1 . 1 . . . . 34 SER H . 17314 1 346 . 1 1 34 34 SER HA H 1 4.427 1 . 1 . . . . 34 SER HA . 17314 1 347 . 1 1 34 34 SER HB2 H 1 3.631 2 . . . . . . 34 SER HB2 . 17314 1 348 . 1 1 34 34 SER HB3 H 1 3.436 2 . . . . . . 34 SER HB3 . 17314 1 349 . 1 1 34 34 SER C C 13 175.778 1 . 1 . . . . 34 SER C . 17314 1 350 . 1 1 34 34 SER CA C 13 57.501 1 . 1 . . . . 34 SER CA . 17314 1 351 . 1 1 34 34 SER CB C 13 63.859 1 . 1 . . . . 34 SER CB . 17314 1 352 . 1 1 34 34 SER N N 15 114.803 1 . 1 . . . . 34 SER N . 17314 1 353 . 1 1 35 35 HIS H H 1 9.897 1 . 1 . . . . 35 HIS H . 17314 1 354 . 1 1 35 35 HIS HA H 1 4.620 1 . 1 . . . . 35 HIS HA . 17314 1 355 . 1 1 35 35 HIS HB2 H 1 3.290 2 . . . . . . 35 HIS HB2 . 17314 1 356 . 1 1 35 35 HIS HB3 H 1 3.250 2 . . . . . . 35 HIS HB3 . 17314 1 357 . 1 1 35 35 HIS C C 13 175.804 1 . 1 . . . . 35 HIS C . 17314 1 358 . 1 1 35 35 HIS CA C 13 56.534 1 . 1 . . . . 35 HIS CA . 17314 1 359 . 1 1 35 35 HIS CB C 13 28.798 1 . 1 . . . . 35 HIS CB . 17314 1 360 . 1 1 35 35 HIS N N 15 126.370 1 . 1 . . . . 35 HIS N . 17314 1 361 . 1 1 36 36 SER H H 1 8.672 1 . 1 . . . . 36 SER H . 17314 1 362 . 1 1 36 36 SER HA H 1 4.099 1 . 1 . . . . 36 SER HA . 17314 1 363 . 1 1 36 36 SER HB2 H 1 3.490 2 . . . . . . 36 SER HB2 . 17314 1 364 . 1 1 36 36 SER HB3 H 1 3.490 2 . . . . . . 36 SER HB3 . 17314 1 365 . 1 1 36 36 SER C C 13 173.756 1 . 1 . . . . 36 SER C . 17314 1 366 . 1 1 36 36 SER CA C 13 60.341 1 . 1 . . . . 36 SER CA . 17314 1 367 . 1 1 36 36 SER CB C 13 63.753 1 . 1 . . . . 36 SER CB . 17314 1 368 . 1 1 36 36 SER N N 15 116.779 1 . 1 . . . . 36 SER N . 17314 1 369 . 1 1 37 37 PHE H H 1 7.688 1 . 1 . . . . 37 PHE H . 17314 1 370 . 1 1 37 37 PHE HA H 1 4.549 1 . 1 . . . . 37 PHE HA . 17314 1 371 . 1 1 37 37 PHE HB2 H 1 3.065 2 . . . . . . 37 PHE HB2 . 17314 1 372 . 1 1 37 37 PHE HB3 H 1 2.815 2 . . . . . . 37 PHE HB3 . 17314 1 373 . 1 1 37 37 PHE C C 13 174.417 1 . 1 . . . . 37 PHE C . 17314 1 374 . 1 1 37 37 PHE CA C 13 56.456 1 . 1 . . . . 37 PHE CA . 17314 1 375 . 1 1 37 37 PHE CB C 13 39.559 1 . 1 . . . . 37 PHE CB . 17314 1 376 . 1 1 37 37 PHE N N 15 120.047 1 . 1 . . . . 37 PHE N . 17314 1 377 . 1 1 38 38 GLN H H 1 8.486 1 . 1 . . . . 38 GLN H . 17314 1 378 . 1 1 38 38 GLN HA H 1 4.025 1 . 1 . . . . 38 GLN HA . 17314 1 379 . 1 1 38 38 GLN HB2 H 1 2.714 2 . . . . . . 38 GLN HB2 . 17314 1 380 . 1 1 38 38 GLN HB3 H 1 1.958 2 . . . . . . 38 GLN HB3 . 17314 1 381 . 1 1 38 38 GLN HG2 H 1 2.287 2 . . . . . . 38 GLN HG2 . 17314 1 382 . 1 1 38 38 GLN HG3 H 1 2.287 2 . . . . . . 38 GLN HG3 . 17314 1 383 . 1 1 38 38 GLN C C 13 177.350 1 . 1 . . . . 38 GLN C . 17314 1 384 . 1 1 38 38 GLN CA C 13 57.512 1 . 1 . . . . 38 GLN CA . 17314 1 385 . 1 1 38 38 GLN CB C 13 28.315 1 . 1 . . . . 38 GLN CB . 17314 1 386 . 1 1 38 38 GLN CG C 13 33.877 1 . 1 . . . . 38 GLN CG . 17314 1 387 . 1 1 38 38 GLN N N 15 121.962 1 . 1 . . . . 38 GLN N . 17314 1 388 . 1 1 39 39 GLY H H 1 8.861 1 . 1 . . . . 39 GLY H . 17314 1 389 . 1 1 39 39 GLY HA2 H 1 4.031 2 . . . . . . 39 GLY HA2 . 17314 1 390 . 1 1 39 39 GLY HA3 H 1 3.606 2 . . . . . . 39 GLY HA3 . 17314 1 391 . 1 1 39 39 GLY C C 13 172.680 1 . 1 . . . . 39 GLY C . 17314 1 392 . 1 1 39 39 GLY CA C 13 45.616 1 . 1 . . . . 39 GLY CA . 17314 1 393 . 1 1 39 39 GLY N N 15 114.046 1 . 1 . . . . 39 GLY N . 17314 1 394 . 1 1 40 40 ALA H H 1 7.671 1 . 1 . . . . 40 ALA H . 17314 1 395 . 1 1 40 40 ALA HA H 1 4.812 1 . 1 . . . . 40 ALA HA . 17314 1 396 . 1 1 40 40 ALA HB1 H 1 1.237 1 . 1 . . . . 40 ALA MB . 17314 1 397 . 1 1 40 40 ALA HB2 H 1 1.237 1 . 1 . . . . 40 ALA MB . 17314 1 398 . 1 1 40 40 ALA HB3 H 1 1.237 1 . 1 . . . . 40 ALA MB . 17314 1 399 . 1 1 40 40 ALA C C 13 177.022 1 . 1 . . . . 40 ALA C . 17314 1 400 . 1 1 40 40 ALA CA C 13 50.861 1 . 1 . . . . 40 ALA CA . 17314 1 401 . 1 1 40 40 ALA CB C 13 21.120 1 . 1 . . . . 40 ALA CB . 17314 1 402 . 1 1 40 40 ALA N N 15 121.687 1 . 1 . . . . 40 ALA N . 17314 1 403 . 1 1 41 41 TYR H H 1 9.015 1 . 1 . . . . 41 TYR H . 17314 1 404 . 1 1 41 41 TYR HA H 1 5.305 1 . 1 . . . . 41 TYR HA . 17314 1 405 . 1 1 41 41 TYR HB2 H 1 3.310 2 . . . . . . 41 TYR HB2 . 17314 1 406 . 1 1 41 41 TYR HB3 H 1 2.561 2 . . . . . . 41 TYR HB3 . 17314 1 407 . 1 1 41 41 TYR C C 13 175.022 1 . 1 . . . . 41 TYR C . 17314 1 408 . 1 1 41 41 TYR CA C 13 56.345 1 . 1 . . . . 41 TYR CA . 17314 1 409 . 1 1 41 41 TYR CB C 13 41.572 1 . 1 . . . . 41 TYR CB . 17314 1 410 . 1 1 41 41 TYR N N 15 117.123 1 . 1 . . . . 41 TYR N . 17314 1 411 . 1 1 42 42 GLY H H 1 9.394 1 . 1 . . . . 42 GLY H . 17314 1 412 . 1 1 42 42 GLY HA2 H 1 3.324 2 . . . . . . 42 GLY HA2 . 17314 1 413 . 1 1 42 42 GLY HA3 H 1 5.031 2 . . . . . . 42 GLY HA3 . 17314 1 414 . 1 1 42 42 GLY C C 13 171.406 1 . 1 . . . . 42 GLY C . 17314 1 415 . 1 1 42 42 GLY CA C 13 44.869 1 . 1 . . . . 42 GLY CA . 17314 1 416 . 1 1 42 42 GLY N N 15 108.406 1 . 1 . . . . 42 GLY N . 17314 1 417 . 1 1 43 43 LEU H H 1 8.984 1 . 1 . . . . 43 LEU H . 17314 1 418 . 1 1 43 43 LEU HA H 1 5.215 1 . 1 . . . . 43 LEU HA . 17314 1 419 . 1 1 43 43 LEU HB2 H 1 1.229 2 . . . . . . 43 LEU HB2 . 17314 1 420 . 1 1 43 43 LEU HB3 H 1 1.718 2 . . . . . . 43 LEU HB3 . 17314 1 421 . 1 1 43 43 LEU HG H 1 1.474 1 . 1 . . . . 43 LEU HG . 17314 1 422 . 1 1 43 43 LEU HD11 H 1 0.619 2 . . . . . . 43 LEU MD1 . 17314 1 423 . 1 1 43 43 LEU HD12 H 1 0.619 2 . . . . . . 43 LEU MD1 . 17314 1 424 . 1 1 43 43 LEU HD13 H 1 0.619 2 . . . . . . 43 LEU MD1 . 17314 1 425 . 1 1 43 43 LEU HD21 H 1 0.428 2 . . . . . . 43 LEU MD2 . 17314 1 426 . 1 1 43 43 LEU HD22 H 1 0.428 2 . . . . . . 43 LEU MD2 . 17314 1 427 . 1 1 43 43 LEU HD23 H 1 0.428 2 . . . . . . 43 LEU MD2 . 17314 1 428 . 1 1 43 43 LEU C C 13 173.554 1 . 1 . . . . 43 LEU C . 17314 1 429 . 1 1 43 43 LEU CA C 13 53.742 1 . 1 . . . . 43 LEU CA . 17314 1 430 . 1 1 43 43 LEU CB C 13 44.257 1 . 1 . . . . 43 LEU CB . 17314 1 431 . 1 1 43 43 LEU CG C 13 25.585 1 . 1 . . . . 43 LEU CG . 17314 1 432 . 1 1 43 43 LEU N N 15 128.132 1 . 1 . . . . 43 LEU N . 17314 1 433 . 1 1 44 44 ALA H H 1 9.107 1 . 1 . . . . 44 ALA H . 17314 1 434 . 1 1 44 44 ALA HA H 1 5.196 1 . 1 . . . . 44 ALA HA . 17314 1 435 . 1 1 44 44 ALA HB1 H 1 1.052 1 . 1 . . . . 44 ALA MB . 17314 1 436 . 1 1 44 44 ALA HB2 H 1 1.052 1 . 1 . . . . 44 ALA MB . 17314 1 437 . 1 1 44 44 ALA HB3 H 1 1.052 1 . 1 . . . . 44 ALA MB . 17314 1 438 . 1 1 44 44 ALA C C 13 174.482 1 . 1 . . . . 44 ALA C . 17314 1 439 . 1 1 44 44 ALA CA C 13 50.001 1 . 1 . . . . 44 ALA CA . 17314 1 440 . 1 1 44 44 ALA CB C 13 21.238 1 . 1 . . . . 44 ALA CB . 17314 1 441 . 1 1 44 44 ALA N N 15 132.376 1 . 1 . . . . 44 ALA N . 17314 1 442 . 1 1 45 45 LEU H H 1 8.899 1 . 1 . . . . 45 LEU H . 17314 1 443 . 1 1 45 45 LEU HA H 1 5.076 1 . 1 . . . . 45 LEU HA . 17314 1 444 . 1 1 45 45 LEU HB2 H 1 1.678 2 . . . . . . 45 LEU HB2 . 17314 1 445 . 1 1 45 45 LEU HB3 H 1 0.964 2 . . . . . . 45 LEU HB3 . 17314 1 446 . 1 1 45 45 LEU HG H 1 1.325 1 . 1 . . . . 45 LEU HG . 17314 1 447 . 1 1 45 45 LEU HD11 H 1 0.659 2 . . . . . . 45 LEU MD1 . 17314 1 448 . 1 1 45 45 LEU HD12 H 1 0.659 2 . . . . . . 45 LEU MD1 . 17314 1 449 . 1 1 45 45 LEU HD13 H 1 0.659 2 . . . . . . 45 LEU MD1 . 17314 1 450 . 1 1 45 45 LEU HD21 H 1 0.659 2 . . . . . . 45 LEU MD2 . 17314 1 451 . 1 1 45 45 LEU HD22 H 1 0.659 2 . . . . . . 45 LEU MD2 . 17314 1 452 . 1 1 45 45 LEU HD23 H 1 0.659 2 . . . . . . 45 LEU MD2 . 17314 1 453 . 1 1 45 45 LEU C C 13 174.386 1 . 1 . . . . 45 LEU C . 17314 1 454 . 1 1 45 45 LEU CA C 13 53.038 1 . 1 . . . . 45 LEU CA . 17314 1 455 . 1 1 45 45 LEU CB C 13 48.607 1 . 1 . . . . 45 LEU CB . 17314 1 456 . 1 1 45 45 LEU N N 15 123.956 1 . 1 . . . . 45 LEU N . 17314 1 457 . 1 1 46 46 LYS H H 1 9.078 1 . 1 . . . . 46 LYS H . 17314 1 458 . 1 1 46 46 LYS HA H 1 4.895 1 . 1 . . . . 46 LYS HA . 17314 1 459 . 1 1 46 46 LYS HB2 H 1 2.130 2 . . . . . . 46 LYS HB2 . 17314 1 460 . 1 1 46 46 LYS HB3 H 1 1.428 2 . . . . . . 46 LYS HB3 . 17314 1 461 . 1 1 46 46 LYS HG2 H 1 0.755 2 . . . . . . 46 LYS HG2 . 17314 1 462 . 1 1 46 46 LYS HG3 H 1 0.755 2 . . . . . . 46 LYS HG3 . 17314 1 463 . 1 1 46 46 LYS HE2 H 1 3.115 2 . . . . . . 46 LYS HE2 . 17314 1 464 . 1 1 46 46 LYS HE3 H 1 2.961 2 . . . . . . 46 LYS HE3 . 17314 1 465 . 1 1 46 46 LYS C C 13 175.139 1 . 1 . . . . 46 LYS C . 17314 1 466 . 1 1 46 46 LYS CA C 13 54.362 1 . 1 . . . . 46 LYS CA . 17314 1 467 . 1 1 46 46 LYS CB C 13 32.692 1 . 1 . . . . 46 LYS CB . 17314 1 468 . 1 1 46 46 LYS N N 15 128.999 1 . 1 . . . . 46 LYS N . 17314 1 469 . 1 1 47 47 VAL H H 1 8.710 1 . 1 . . . . 47 VAL H . 17314 1 470 . 1 1 47 47 VAL HA H 1 4.825 1 . 1 . . . . 47 VAL HA . 17314 1 471 . 1 1 47 47 VAL HB H 1 2.353 1 . 1 . . . . 47 VAL HB . 17314 1 472 . 1 1 47 47 VAL HG11 H 1 0.845 2 . . . . . . 47 VAL MG1 . 17314 1 473 . 1 1 47 47 VAL HG12 H 1 0.845 2 . . . . . . 47 VAL MG1 . 17314 1 474 . 1 1 47 47 VAL HG13 H 1 0.845 2 . . . . . . 47 VAL MG1 . 17314 1 475 . 1 1 47 47 VAL HG21 H 1 0.788 2 . . . . . . 47 VAL MG2 . 17314 1 476 . 1 1 47 47 VAL HG22 H 1 0.788 2 . . . . . . 47 VAL MG2 . 17314 1 477 . 1 1 47 47 VAL HG23 H 1 0.788 2 . . . . . . 47 VAL MG2 . 17314 1 478 . 1 1 47 47 VAL C C 13 174.784 1 . 1 . . . . 47 VAL C . 17314 1 479 . 1 1 47 47 VAL CA C 13 59.098 1 . 1 . . . . 47 VAL CA . 17314 1 480 . 1 1 47 47 VAL CB C 13 34.097 1 . 1 . . . . 47 VAL CB . 17314 1 481 . 1 1 47 47 VAL CG1 C 13 22.776 2 . . . . . . 47 VAL CG1 . 17314 1 482 . 1 1 47 47 VAL CG2 C 13 18.999 2 . . . . . . 47 VAL CG2 . 17314 1 483 . 1 1 47 47 VAL N N 15 121.307 1 . 1 . . . . 47 VAL N . 17314 1 484 . 1 1 48 48 ALA H H 1 8.586 1 . 1 . . . . 48 ALA H . 17314 1 485 . 1 1 48 48 ALA HA H 1 4.328 1 . 1 . . . . 48 ALA HA . 17314 1 486 . 1 1 48 48 ALA HB1 H 1 1.368 1 . 1 . . . . 48 ALA MB . 17314 1 487 . 1 1 48 48 ALA HB2 H 1 1.368 1 . 1 . . . . 48 ALA MB . 17314 1 488 . 1 1 48 48 ALA HB3 H 1 1.368 1 . 1 . . . . 48 ALA MB . 17314 1 489 . 1 1 48 48 ALA C C 13 177.722 1 . 1 . . . . 48 ALA C . 17314 1 490 . 1 1 48 48 ALA CA C 13 52.319 1 . 1 . . . . 48 ALA CA . 17314 1 491 . 1 1 48 48 ALA CB C 13 20.208 1 . 1 . . . . 48 ALA CB . 17314 1 492 . 1 1 48 48 ALA N N 15 120.106 1 . 1 . . . . 48 ALA N . 17314 1 493 . 1 1 49 49 THR H H 1 7.766 1 . 1 . . . . 49 THR H . 17314 1 494 . 1 1 49 49 THR HA H 1 4.445 1 . 1 . . . . 49 THR HA . 17314 1 495 . 1 1 49 49 THR HB H 1 4.018 1 . 1 . . . . 49 THR HB . 17314 1 496 . 1 1 49 49 THR HG21 H 1 1.180 1 . 1 . . . . 49 THR MG . 17314 1 497 . 1 1 49 49 THR HG22 H 1 1.180 1 . 1 . . . . 49 THR MG . 17314 1 498 . 1 1 49 49 THR HG23 H 1 1.180 1 . 1 . . . . 49 THR MG . 17314 1 499 . 1 1 49 49 THR C C 13 171.845 1 . 1 . . . . 49 THR C . 17314 1 500 . 1 1 49 49 THR CA C 13 58.988 1 . 1 . . . . 49 THR CA . 17314 1 501 . 1 1 49 49 THR CB C 13 70.179 1 . 1 . . . . 49 THR CB . 17314 1 502 . 1 1 49 49 THR N N 15 112.929 1 . 1 . . . . 49 THR N . 17314 1 503 . 1 1 50 50 PRO HD2 H 1 3.720 2 . . . . . . 50 PRO HD2 . 17314 1 504 . 1 1 50 50 PRO HD3 H 1 3.564 2 . . . . . . 50 PRO HD3 . 17314 1 505 . 1 1 52 52 PRO HA H 1 4.342 1 . 1 . . . . 52 PRO HA . 17314 1 506 . 1 1 52 52 PRO HB2 H 1 2.243 2 . . . . . . 52 PRO HB2 . 17314 1 507 . 1 1 52 52 PRO HB3 H 1 1.863 2 . . . . . . 52 PRO HB3 . 17314 1 508 . 1 1 52 52 PRO HD2 H 1 3.758 2 . . . . . . 52 PRO HD2 . 17314 1 509 . 1 1 52 52 PRO HD3 H 1 3.625 2 . . . . . . 52 PRO HD3 . 17314 1 510 . 1 1 52 52 PRO C C 13 176.777 1 . 1 . . . . 52 PRO C . 17314 1 511 . 1 1 52 52 PRO CA C 13 63.432 1 . 1 . . . . 52 PRO CA . 17314 1 512 . 1 1 52 52 PRO CB C 13 31.835 1 . 1 . . . . 52 PRO CB . 17314 1 513 . 1 1 52 52 PRO CG C 13 27.823 1 . 1 . . . . 52 PRO CG . 17314 1 514 . 1 1 52 52 PRO CD C 13 50.362 1 . 1 . . . . 52 PRO CD . 17314 1 515 . 1 1 53 53 SER H H 1 8.179 1 . 1 . . . . 53 SER H . 17314 1 516 . 1 1 53 53 SER HA H 1 4.412 1 . 1 . . . . 53 SER HA . 17314 1 517 . 1 1 53 53 SER HB2 H 1 3.906 2 . . . . . . 53 SER HB2 . 17314 1 518 . 1 1 53 53 SER HB3 H 1 3.748 2 . . . . . . 53 SER HB3 . 17314 1 519 . 1 1 53 53 SER C C 13 174.178 1 . 1 . . . . 53 SER C . 17314 1 520 . 1 1 53 53 SER CA C 13 57.557 1 . 1 . . . . 53 SER CA . 17314 1 521 . 1 1 53 53 SER CB C 13 64.034 1 . 1 . . . . 53 SER CB . 17314 1 522 . 1 1 53 53 SER N N 15 114.558 1 . 1 . . . . 53 SER N . 17314 1 523 . 1 1 54 54 ALA H H 1 8.345 1 . 1 . . . . 54 ALA H . 17314 1 524 . 1 1 54 54 ALA HA H 1 4.240 1 . 1 . . . . 54 ALA HA . 17314 1 525 . 1 1 54 54 ALA HB1 H 1 1.372 1 . 1 . . . . 54 ALA MB . 17314 1 526 . 1 1 54 54 ALA HB2 H 1 1.372 1 . 1 . . . . 54 ALA MB . 17314 1 527 . 1 1 54 54 ALA HB3 H 1 1.372 1 . 1 . . . . 54 ALA MB . 17314 1 528 . 1 1 54 54 ALA C C 13 177.516 1 . 1 . . . . 54 ALA C . 17314 1 529 . 1 1 54 54 ALA CA C 13 52.901 1 . 1 . . . . 54 ALA CA . 17314 1 530 . 1 1 54 54 ALA CB C 13 18.999 1 . 1 . . . . 54 ALA CB . 17314 1 531 . 1 1 54 54 ALA N N 15 125.734 1 . 1 . . . . 54 ALA N . 17314 1 532 . 1 1 55 55 GLN H H 1 8.075 1 . 1 . . . . 55 GLN H . 17314 1 533 . 1 1 55 55 GLN HB2 H 1 1.805 2 . . . . . . 55 GLN HB2 . 17314 1 534 . 1 1 55 55 GLN HB3 H 1 1.805 2 . . . . . . 55 GLN HB3 . 17314 1 535 . 1 1 55 55 GLN HG2 H 1 2.282 2 . . . . . . 55 GLN HG2 . 17314 1 536 . 1 1 55 55 GLN HG3 H 1 2.282 2 . . . . . . 55 GLN HG3 . 17314 1 537 . 1 1 55 55 GLN C C 13 173.821 1 . 1 . . . . 55 GLN C . 17314 1 538 . 1 1 55 55 GLN CB C 13 28.915 1 . 1 . . . . 55 GLN CB . 17314 1 539 . 1 1 55 55 GLN N N 15 118.307 1 . 1 . . . . 55 GLN N . 17314 1 540 . 1 1 56 56 PRO HA H 1 4.318 1 . 1 . . . . 56 PRO HA . 17314 1 541 . 1 1 56 56 PRO HB2 H 1 2.220 2 . . . . . . 56 PRO HB2 . 17314 1 542 . 1 1 56 56 PRO HB3 H 1 1.769 2 . . . . . . 56 PRO HB3 . 17314 1 543 . 1 1 56 56 PRO HD2 H 1 3.719 2 . . . . . . 56 PRO HD2 . 17314 1 544 . 1 1 56 56 PRO HD3 H 1 3.556 2 . . . . . . 56 PRO HD3 . 17314 1 545 . 1 1 56 56 PRO C C 13 176.374 1 . 1 . . . . 56 PRO C . 17314 1 546 . 1 1 56 56 PRO CA C 13 63.204 1 . 1 . . . . 56 PRO CA . 17314 1 547 . 1 1 56 56 PRO CB C 13 32.001 1 . 1 . . . . 56 PRO CB . 17314 1 548 . 1 1 56 56 PRO CG C 13 27.696 1 . 1 . . . . 56 PRO CG . 17314 1 549 . 1 1 56 56 PRO CD C 13 50.614 1 . 1 . . . . 56 PRO CD . 17314 1 550 . 1 1 57 57 TRP H H 1 8.337 1 . 1 . . . . 57 TRP H . 17314 1 551 . 1 1 57 57 TRP HA H 1 4.627 1 . 1 . . . . 57 TRP HA . 17314 1 552 . 1 1 57 57 TRP HB2 H 1 3.179 2 . . . . . . 57 TRP HB2 . 17314 1 553 . 1 1 57 57 TRP HB3 H 1 3.179 2 . . . . . . 57 TRP HB3 . 17314 1 554 . 1 1 57 57 TRP C C 13 176.299 1 . 1 . . . . 57 TRP C . 17314 1 555 . 1 1 57 57 TRP CA C 13 56.855 1 . 1 . . . . 57 TRP CA . 17314 1 556 . 1 1 57 57 TRP CB C 13 29.955 1 . 1 . . . . 57 TRP CB . 17314 1 557 . 1 1 57 57 TRP N N 15 122.615 1 . 1 . . . . 57 TRP N . 17314 1 558 . 1 1 58 58 LYS H H 1 8.050 1 . 1 . . . . 58 LYS H . 17314 1 559 . 1 1 58 58 LYS HA H 1 4.236 1 . 1 . . . . 58 LYS HA . 17314 1 560 . 1 1 58 58 LYS HB2 H 1 1.654 2 . . . . . . 58 LYS HB2 . 17314 1 561 . 1 1 58 58 LYS HB3 H 1 1.438 2 . . . . . . 58 LYS HB3 . 17314 1 562 . 1 1 58 58 LYS HG2 H 1 1.407 2 . . . . . . 58 LYS HG2 . 17314 1 563 . 1 1 58 58 LYS HG3 H 1 1.171 2 . . . . . . 58 LYS HG3 . 17314 1 564 . 1 1 58 58 LYS HD2 H 1 1.487 2 . . . . . . 58 LYS HD2 . 17314 1 565 . 1 1 58 58 LYS HD3 H 1 1.487 2 . . . . . . 58 LYS HD3 . 17314 1 566 . 1 1 58 58 LYS HE2 H 1 2.846 2 . . . . . . 58 LYS HE2 . 17314 1 567 . 1 1 58 58 LYS HE3 H 1 2.846 2 . . . . . . 58 LYS HE3 . 17314 1 568 . 1 1 58 58 LYS C C 13 175.929 1 . 1 . . . . 58 LYS C . 17314 1 569 . 1 1 58 58 LYS CA C 13 55.692 1 . 1 . . . . 58 LYS CA . 17314 1 570 . 1 1 58 58 LYS CB C 13 32.831 1 . 1 . . . . 58 LYS CB . 17314 1 571 . 1 1 58 58 LYS CG C 13 24.544 1 . 1 . . . . 58 LYS CG . 17314 1 572 . 1 1 58 58 LYS CD C 13 29.233 1 . 1 . . . . 58 LYS CD . 17314 1 573 . 1 1 58 58 LYS CE C 13 42.661 1 . 1 . . . . 58 LYS CE . 17314 1 574 . 1 1 58 58 LYS N N 15 125.466 1 . 1 . . . . 58 LYS N . 17314 1 575 . 1 1 59 59 GLY H H 1 6.910 1 . 1 . . . . 59 GLY H . 17314 1 576 . 1 1 59 59 GLY HA2 H 1 3.745 2 . . . . . . 59 GLY HA2 . 17314 1 577 . 1 1 59 59 GLY HA3 H 1 3.606 2 . . . . . . 59 GLY HA3 . 17314 1 578 . 1 1 59 59 GLY C C 13 172.908 1 . 1 . . . . 59 GLY C . 17314 1 579 . 1 1 59 59 GLY CA C 13 44.255 1 . 1 . . . . 59 GLY CA . 17314 1 580 . 1 1 59 59 GLY N N 15 107.815 1 . 1 . . . . 59 GLY N . 17314 1 581 . 1 1 60 60 ASP H H 1 8.504 1 . 1 . . . . 60 ASP H . 17314 1 582 . 1 1 60 60 ASP HB2 H 1 2.715 2 . . . . . . 60 ASP HB2 . 17314 1 583 . 1 1 60 60 ASP HB3 H 1 2.592 2 . . . . . . 60 ASP HB3 . 17314 1 584 . 1 1 60 60 ASP C C 13 176.251 1 . 1 . . . . 60 ASP C . 17314 1 585 . 1 1 60 60 ASP CA C 13 52.297 1 . 1 . . . . 60 ASP CA . 17314 1 586 . 1 1 60 60 ASP CB C 13 41.622 1 . 1 . . . . 60 ASP CB . 17314 1 587 . 1 1 60 60 ASP N N 15 122.534 1 . 1 . . . . 60 ASP N . 17314 1 588 . 1 1 61 61 PRO HA H 1 4.254 1 . 1 . . . . 61 PRO HA . 17314 1 589 . 1 1 61 61 PRO HB2 H 1 2.267 2 . . . . . . 61 PRO HB2 . 17314 1 590 . 1 1 61 61 PRO HB3 H 1 1.912 2 . . . . . . 61 PRO HB3 . 17314 1 591 . 1 1 61 61 PRO HG2 H 1 1.990 2 . . . . . . 61 PRO HG2 . 17314 1 592 . 1 1 61 61 PRO HG3 H 1 1.990 2 . . . . . . 61 PRO HG3 . 17314 1 593 . 1 1 61 61 PRO C C 13 178.499 1 . 1 . . . . 61 PRO C . 17314 1 594 . 1 1 61 61 PRO CA C 13 64.483 1 . 1 . . . . 61 PRO CA . 17314 1 595 . 1 1 61 61 PRO CB C 13 32.394 1 . 1 . . . . 61 PRO CB . 17314 1 596 . 1 1 61 61 PRO CG C 13 27.503 1 . 1 . . . . 61 PRO CG . 17314 1 597 . 1 1 61 61 PRO CD C 13 50.844 1 . 1 . . . . 61 PRO CD . 17314 1 598 . 1 1 62 62 VAL H H 1 8.279 1 . 1 . . . . 62 VAL H . 17314 1 599 . 1 1 62 62 VAL HA H 1 3.832 1 . 1 . . . . 62 VAL HA . 17314 1 600 . 1 1 62 62 VAL HB H 1 2.089 1 . 1 . . . . 62 VAL HB . 17314 1 601 . 1 1 62 62 VAL HG11 H 1 0.915 2 . . . . . . 62 VAL MG1 . 17314 1 602 . 1 1 62 62 VAL HG12 H 1 0.915 2 . . . . . . 62 VAL MG1 . 17314 1 603 . 1 1 62 62 VAL HG13 H 1 0.915 2 . . . . . . 62 VAL MG1 . 17314 1 604 . 1 1 62 62 VAL HG21 H 1 0.888 2 . . . . . . 62 VAL MG2 . 17314 1 605 . 1 1 62 62 VAL HG22 H 1 0.888 2 . . . . . . 62 VAL MG2 . 17314 1 606 . 1 1 62 62 VAL HG23 H 1 0.888 2 . . . . . . 62 VAL MG2 . 17314 1 607 . 1 1 62 62 VAL C C 13 177.379 1 . 1 . . . . 62 VAL C . 17314 1 608 . 1 1 62 62 VAL CA C 13 64.286 1 . 1 . . . . 62 VAL CA . 17314 1 609 . 1 1 62 62 VAL CB C 13 31.652 1 . 1 . . . . 62 VAL CB . 17314 1 610 . 1 1 62 62 VAL CG1 C 13 21.741 2 . . . . . . 62 VAL CG1 . 17314 1 611 . 1 1 62 62 VAL CG2 C 13 21.741 2 . . . . . . 62 VAL CG2 . 17314 1 612 . 1 1 62 62 VAL N N 15 118.367 1 . 1 . . . . 62 VAL N . 17314 1 613 . 1 1 63 63 GLU H H 1 8.059 1 . 1 . . . . 63 GLU H . 17314 1 614 . 1 1 63 63 GLU HA H 1 4.013 1 . 1 . . . . 63 GLU HA . 17314 1 615 . 1 1 63 63 GLU HB2 H 1 2.170 2 . . . . . . 63 GLU HB2 . 17314 1 616 . 1 1 63 63 GLU HB3 H 1 2.170 2 . . . . . . 63 GLU HB3 . 17314 1 617 . 1 1 63 63 GLU HG2 H 1 2.380 2 . . . . . . 63 GLU HG2 . 17314 1 618 . 1 1 63 63 GLU HG3 H 1 2.380 2 . . . . . . 63 GLU HG3 . 17314 1 619 . 1 1 63 63 GLU C C 13 177.404 1 . 1 . . . . 63 GLU C . 17314 1 620 . 1 1 63 63 GLU CA C 13 58.016 1 . 1 . . . . 63 GLU CA . 17314 1 621 . 1 1 63 63 GLU CB C 13 29.905 1 . 1 . . . . 63 GLU CB . 17314 1 622 . 1 1 63 63 GLU CG C 13 37.067 1 . 1 . . . . 63 GLU CG . 17314 1 623 . 1 1 63 63 GLU N N 15 120.162 1 . 1 . . . . 63 GLU N . 17314 1 624 . 1 1 64 64 GLN H H 1 7.522 1 . 1 . . . . 64 GLN H . 17314 1 625 . 1 1 64 64 GLN HB2 H 1 1.462 2 . . . . . . 64 GLN HB2 . 17314 1 626 . 1 1 64 64 GLN HB3 H 1 1.462 2 . . . . . . 64 GLN HB3 . 17314 1 627 . 1 1 64 64 GLN C C 13 175.703 1 . 1 . . . . 64 GLN C . 17314 1 628 . 1 1 64 64 GLN CA C 13 56.212 1 . 1 . . . . 64 GLN CA . 17314 1 629 . 1 1 64 64 GLN CB C 13 28.853 1 . 1 . . . . 64 GLN CB . 17314 1 630 . 1 1 64 64 GLN CG C 13 33.824 1 . 1 . . . . 64 GLN CG . 17314 1 631 . 1 1 64 64 GLN N N 15 115.772 1 . 1 . . . . 64 GLN N . 17314 1 632 . 1 1 65 65 LEU H H 1 7.646 1 . 1 . . . . 65 LEU H . 17314 1 633 . 1 1 65 65 LEU HA H 1 4.097 1 . 1 . . . . 65 LEU HA . 17314 1 634 . 1 1 65 65 LEU HB2 H 1 1.736 2 . . . . . . 65 LEU HB2 . 17314 1 635 . 1 1 65 65 LEU HB3 H 1 1.736 2 . . . . . . 65 LEU HB3 . 17314 1 636 . 1 1 65 65 LEU HD11 H 1 0.885 2 . . . . . . 65 LEU MD1 . 17314 1 637 . 1 1 65 65 LEU HD12 H 1 0.885 2 . . . . . . 65 LEU MD1 . 17314 1 638 . 1 1 65 65 LEU HD13 H 1 0.885 2 . . . . . . 65 LEU MD1 . 17314 1 639 . 1 1 65 65 LEU HD21 H 1 0.595 2 . . . . . . 65 LEU MD2 . 17314 1 640 . 1 1 65 65 LEU HD22 H 1 0.595 2 . . . . . . 65 LEU MD2 . 17314 1 641 . 1 1 65 65 LEU HD23 H 1 0.595 2 . . . . . . 65 LEU MD2 . 17314 1 642 . 1 1 65 65 LEU C C 13 174.878 1 . 1 . . . . 65 LEU C . 17314 1 643 . 1 1 65 65 LEU CA C 13 54.892 1 . 1 . . . . 65 LEU CA . 17314 1 644 . 1 1 65 65 LEU CB C 13 41.480 1 . 1 . . . . 65 LEU CB . 17314 1 645 . 1 1 65 65 LEU CG C 13 25.079 1 . 1 . . . . 65 LEU CG . 17314 1 646 . 1 1 65 65 LEU CD1 C 13 22.836 2 . . . . . . 65 LEU CD1 . 17314 1 647 . 1 1 65 65 LEU CD2 C 13 22.836 2 . . . . . . 65 LEU CD2 . 17314 1 648 . 1 1 65 65 LEU N N 15 116.836 1 . 1 . . . . 65 LEU N . 17314 1 649 . 1 1 66 66 VAL H H 1 7.308 1 . 1 . . . . 66 VAL H . 17314 1 650 . 1 1 66 66 VAL HA H 1 4.620 1 . 1 . . . . 66 VAL HA . 17314 1 651 . 1 1 66 66 VAL HB H 1 1.982 1 . 1 . . . . 66 VAL HB . 17314 1 652 . 1 1 66 66 VAL HG11 H 1 0.401 2 . . . . . . 66 VAL MG1 . 17314 1 653 . 1 1 66 66 VAL HG12 H 1 0.401 2 . . . . . . 66 VAL MG1 . 17314 1 654 . 1 1 66 66 VAL HG13 H 1 0.401 2 . . . . . . 66 VAL MG1 . 17314 1 655 . 1 1 66 66 VAL HG21 H 1 0.741 2 . . . . . . 66 VAL MG2 . 17314 1 656 . 1 1 66 66 VAL HG22 H 1 0.741 2 . . . . . . 66 VAL MG2 . 17314 1 657 . 1 1 66 66 VAL HG23 H 1 0.741 2 . . . . . . 66 VAL MG2 . 17314 1 658 . 1 1 66 66 VAL C C 13 174.859 1 . 1 . . . . 66 VAL C . 17314 1 659 . 1 1 66 66 VAL CA C 13 61.032 1 . 1 . . . . 66 VAL CA . 17314 1 660 . 1 1 66 66 VAL CB C 13 32.203 1 . 1 . . . . 66 VAL CB . 17314 1 661 . 1 1 66 66 VAL CG1 C 13 21.840 2 . . . . . . 66 VAL CG1 . 17314 1 662 . 1 1 66 66 VAL CG2 C 13 21.840 2 . . . . . . 66 VAL CG2 . 17314 1 663 . 1 1 66 66 VAL N N 15 118.396 1 . 1 . . . . 66 VAL N . 17314 1 664 . 1 1 67 67 ARG H H 1 9.121 1 . 1 . . . . 67 ARG H . 17314 1 665 . 1 1 67 67 ARG HA H 1 4.430 1 . 1 . . . . 67 ARG HA . 17314 1 666 . 1 1 67 67 ARG HB2 H 1 1.525 2 . . . . . . 67 ARG HB2 . 17314 1 667 . 1 1 67 67 ARG HB3 H 1 1.525 2 . . . . . . 67 ARG HB3 . 17314 1 668 . 1 1 67 67 ARG HD2 H 1 3.079 2 . . . . . . 67 ARG HD2 . 17314 1 669 . 1 1 67 67 ARG HD3 H 1 3.079 2 . . . . . . 67 ARG HD3 . 17314 1 670 . 1 1 67 67 ARG C C 13 174.085 1 . 1 . . . . 67 ARG C . 17314 1 671 . 1 1 67 67 ARG CA C 13 52.819 1 . 1 . . . . 67 ARG CA . 17314 1 672 . 1 1 67 67 ARG CB C 13 32.419 1 . 1 . . . . 67 ARG CB . 17314 1 673 . 1 1 67 67 ARG CG C 13 26.980 1 . 1 . . . . 67 ARG CG . 17314 1 674 . 1 1 67 67 ARG CD C 13 42.066 1 . 1 . . . . 67 ARG CD . 17314 1 675 . 1 1 67 67 ARG N N 15 126.347 1 . 1 . . . . 67 ARG N . 17314 1 676 . 1 1 68 68 HIS H H 1 8.083 1 . 1 . . . . 68 HIS H . 17314 1 677 . 1 1 68 68 HIS HA H 1 5.407 1 . 1 . . . . 68 HIS HA . 17314 1 678 . 1 1 68 68 HIS HB2 H 1 2.992 2 . . . . . . 68 HIS HB2 . 17314 1 679 . 1 1 68 68 HIS HB3 H 1 2.612 2 . . . . . . 68 HIS HB3 . 17314 1 680 . 1 1 68 68 HIS C C 13 175.307 1 . 1 . . . . 68 HIS C . 17314 1 681 . 1 1 68 68 HIS CA C 13 55.523 1 . 1 . . . . 68 HIS CA . 17314 1 682 . 1 1 68 68 HIS CB C 13 33.383 1 . 1 . . . . 68 HIS CB . 17314 1 683 . 1 1 68 68 HIS N N 15 118.539 1 . 1 . . . . 68 HIS N . 17314 1 684 . 1 1 69 69 PHE H H 1 9.535 1 . 1 . . . . 69 PHE H . 17314 1 685 . 1 1 69 69 PHE HA H 1 4.688 1 . 1 . . . . 69 PHE HA . 17314 1 686 . 1 1 69 69 PHE HB2 H 1 3.109 2 . . . . . . 69 PHE HB2 . 17314 1 687 . 1 1 69 69 PHE HB3 H 1 2.560 2 . . . . . . 69 PHE HB3 . 17314 1 688 . 1 1 69 69 PHE C C 13 174.580 1 . 1 . . . . 69 PHE C . 17314 1 689 . 1 1 69 69 PHE CA C 13 56.124 1 . 1 . . . . 69 PHE CA . 17314 1 690 . 1 1 69 69 PHE CB C 13 42.709 1 . 1 . . . . 69 PHE CB . 17314 1 691 . 1 1 69 69 PHE N N 15 121.684 1 . 1 . . . . 69 PHE N . 17314 1 692 . 1 1 70 70 LEU H H 1 9.553 1 . 1 . . . . 70 LEU H . 17314 1 693 . 1 1 70 70 LEU HA H 1 5.216 1 . 1 . . . . 70 LEU HA . 17314 1 694 . 1 1 70 70 LEU HB2 H 1 1.499 2 . . . . . . 70 LEU HB2 . 17314 1 695 . 1 1 70 70 LEU HB3 H 1 1.499 2 . . . . . . 70 LEU HB3 . 17314 1 696 . 1 1 70 70 LEU HD11 H 1 0.678 2 . . . . . . 70 LEU MD1 . 17314 1 697 . 1 1 70 70 LEU HD12 H 1 0.678 2 . . . . . . 70 LEU MD1 . 17314 1 698 . 1 1 70 70 LEU HD13 H 1 0.678 2 . . . . . . 70 LEU MD1 . 17314 1 699 . 1 1 70 70 LEU HD21 H 1 0.826 2 . . . . . . 70 LEU MD2 . 17314 1 700 . 1 1 70 70 LEU HD22 H 1 0.826 2 . . . . . . 70 LEU MD2 . 17314 1 701 . 1 1 70 70 LEU HD23 H 1 0.826 2 . . . . . . 70 LEU MD2 . 17314 1 702 . 1 1 70 70 LEU C C 13 175.137 1 . 1 . . . . 70 LEU C . 17314 1 703 . 1 1 70 70 LEU CA C 13 53.854 1 . 1 . . . . 70 LEU CA . 17314 1 704 . 1 1 70 70 LEU CB C 13 45.454 1 . 1 . . . . 70 LEU CB . 17314 1 705 . 1 1 70 70 LEU CG C 13 27.808 1 . 1 . . . . 70 LEU CG . 17314 1 706 . 1 1 70 70 LEU CD1 C 13 24.717 2 . . . . . . 70 LEU CD1 . 17314 1 707 . 1 1 70 70 LEU CD2 C 13 24.717 2 . . . . . . 70 LEU CD2 . 17314 1 708 . 1 1 70 70 LEU N N 15 127.226 1 . 1 . . . . 70 LEU N . 17314 1 709 . 1 1 71 71 ILE H H 1 9.325 1 . 1 . . . . 71 ILE H . 17314 1 710 . 1 1 71 71 ILE HA H 1 4.662 1 . 1 . . . . 71 ILE HA . 17314 1 711 . 1 1 71 71 ILE HB H 1 1.902 1 . 1 . . . . 71 ILE HB . 17314 1 712 . 1 1 71 71 ILE HG21 H 1 0.758 1 . 1 . . . . 71 ILE MG . 17314 1 713 . 1 1 71 71 ILE HG22 H 1 0.758 1 . 1 . . . . 71 ILE MG . 17314 1 714 . 1 1 71 71 ILE HG23 H 1 0.758 1 . 1 . . . . 71 ILE MG . 17314 1 715 . 1 1 71 71 ILE HD11 H 1 0.589 1 . 1 . . . . 71 ILE MD . 17314 1 716 . 1 1 71 71 ILE HD12 H 1 0.589 1 . 1 . . . . 71 ILE MD . 17314 1 717 . 1 1 71 71 ILE HD13 H 1 0.589 1 . 1 . . . . 71 ILE MD . 17314 1 718 . 1 1 71 71 ILE C C 13 175.319 1 . 1 . . . . 71 ILE C . 17314 1 719 . 1 1 71 71 ILE CA C 13 59.844 1 . 1 . . . . 71 ILE CA . 17314 1 720 . 1 1 71 71 ILE CB C 13 40.001 1 . 1 . . . . 71 ILE CB . 17314 1 721 . 1 1 71 71 ILE CG2 C 13 18.839 1 . 1 . . . . 71 ILE CG2 . 17314 1 722 . 1 1 71 71 ILE CD1 C 13 14.988 1 . 1 . . . . 71 ILE CD1 . 17314 1 723 . 1 1 71 71 ILE N N 15 123.943 1 . 1 . . . . 71 ILE N . 17314 1 724 . 1 1 72 72 GLU H H 1 8.823 1 . 1 . . . . 72 GLU H . 17314 1 725 . 1 1 72 72 GLU HA H 1 4.848 1 . 1 . . . . 72 GLU HA . 17314 1 726 . 1 1 72 72 GLU HB2 H 1 2.114 2 . . . . . . 72 GLU HB2 . 17314 1 727 . 1 1 72 72 GLU HB3 H 1 2.041 2 . . . . . . 72 GLU HB3 . 17314 1 728 . 1 1 72 72 GLU HG2 H 1 3.732 2 . . . . . . 72 GLU HG2 . 17314 1 729 . 1 1 72 72 GLU HG3 H 1 3.732 2 . . . . . . 72 GLU HG3 . 17314 1 730 . 1 1 72 72 GLU C C 13 175.260 1 . 1 . . . . 72 GLU C . 17314 1 731 . 1 1 72 72 GLU CA C 13 54.566 1 . 1 . . . . 72 GLU CA . 17314 1 732 . 1 1 72 72 GLU CB C 13 33.296 1 . 1 . . . . 72 GLU CB . 17314 1 733 . 1 1 72 72 GLU CG C 13 37.101 1 . 1 . . . . 72 GLU CG . 17314 1 734 . 1 1 72 72 GLU N N 15 124.939 1 . 1 . . . . 72 GLU N . 17314 1 735 . 1 1 73 73 THR H H 1 8.489 1 . 1 . . . . 73 THR H . 17314 1 736 . 1 1 73 73 THR HA H 1 5.225 1 . 1 . . . . 73 THR HA . 17314 1 737 . 1 1 73 73 THR HB H 1 4.113 1 . 1 . . . . 73 THR HB . 17314 1 738 . 1 1 73 73 THR HG21 H 1 1.269 1 . 1 . . . . 73 THR MG . 17314 1 739 . 1 1 73 73 THR HG22 H 1 1.269 1 . 1 . . . . 73 THR MG . 17314 1 740 . 1 1 73 73 THR HG23 H 1 1.269 1 . 1 . . . . 73 THR MG . 17314 1 741 . 1 1 73 73 THR C C 13 174.161 1 . 1 . . . . 73 THR C . 17314 1 742 . 1 1 73 73 THR CA C 13 60.458 1 . 1 . . . . 73 THR CA . 17314 1 743 . 1 1 73 73 THR CB C 13 71.196 1 . 1 . . . . 73 THR CB . 17314 1 744 . 1 1 73 73 THR CG2 C 13 21.714 1 . 1 . . . . 73 THR CG2 . 17314 1 745 . 1 1 73 73 THR N N 15 113.720 1 . 1 . . . . 73 THR N . 17314 1 746 . 1 1 74 74 GLY H H 1 8.464 1 . 1 . . . . 74 GLY H . 17314 1 747 . 1 1 74 74 GLY HA2 H 1 3.699 2 . . . . . . 74 GLY HA2 . 17314 1 748 . 1 1 74 74 GLY HA3 H 1 3.567 2 . . . . . . 74 GLY HA3 . 17314 1 749 . 1 1 74 74 GLY C C 13 172.542 1 . 1 . . . . 74 GLY C . 17314 1 750 . 1 1 74 74 GLY CA C 13 45.456 1 . 1 . . . . 74 GLY CA . 17314 1 751 . 1 1 74 74 GLY N N 15 113.121 1 . 1 . . . . 74 GLY N . 17314 1 752 . 1 1 75 75 PRO HA H 1 4.154 1 . 1 . . . . 75 PRO HA . 17314 1 753 . 1 1 75 75 PRO HB2 H 1 2.282 2 . . . . . . 75 PRO HB2 . 17314 1 754 . 1 1 75 75 PRO HB3 H 1 1.971 2 . . . . . . 75 PRO HB3 . 17314 1 755 . 1 1 75 75 PRO HG2 H 1 1.797 2 . . . . . . 75 PRO HG2 . 17314 1 756 . 1 1 75 75 PRO HG3 H 1 1.797 2 . . . . . . 75 PRO HG3 . 17314 1 757 . 1 1 75 75 PRO C C 13 178.240 1 . 1 . . . . 75 PRO C . 17314 1 758 . 1 1 75 75 PRO CA C 13 64.660 1 . 1 . . . . 75 PRO CA . 17314 1 759 . 1 1 75 75 PRO CD C 13 49.729 1 . 1 . . . . 75 PRO CD . 17314 1 760 . 1 1 76 76 LYS H H 1 8.362 1 . 1 . . . . 76 LYS H . 17314 1 761 . 1 1 76 76 LYS HA H 1 3.926 1 . 1 . . . . 76 LYS HA . 17314 1 762 . 1 1 76 76 LYS HB2 H 1 0.882 2 . . . . . . 76 LYS HB2 . 17314 1 763 . 1 1 76 76 LYS HB3 H 1 0.681 2 . . . . . . 76 LYS HB3 . 17314 1 764 . 1 1 76 76 LYS HG2 H 1 1.232 2 . . . . . . 76 LYS HG2 . 17314 1 765 . 1 1 76 76 LYS HG3 H 1 0.944 2 . . . . . . 76 LYS HG3 . 17314 1 766 . 1 1 76 76 LYS HE2 H 1 2.688 2 . . . . . . 76 LYS HE2 . 17314 1 767 . 1 1 76 76 LYS HE3 H 1 2.688 2 . . . . . . 76 LYS HE3 . 17314 1 768 . 1 1 76 76 LYS C C 13 175.281 1 . 1 . . . . 76 LYS C . 17314 1 769 . 1 1 76 76 LYS CA C 13 56.435 1 . 1 . . . . 76 LYS CA . 17314 1 770 . 1 1 76 76 LYS CB C 13 31.320 1 . 1 . . . . 76 LYS CB . 17314 1 771 . 1 1 76 76 LYS CG C 13 29.696 1 . 1 . . . . 76 LYS CG . 17314 1 772 . 1 1 76 76 LYS CD C 13 25.554 1 . 1 . . . . 76 LYS CD . 17314 1 773 . 1 1 76 76 LYS CE C 13 42.010 1 . 1 . . . . 76 LYS CE . 17314 1 774 . 1 1 76 76 LYS N N 15 114.707 1 . 1 . . . . 76 LYS N . 17314 1 775 . 1 1 77 77 GLY H H 1 7.772 1 . 1 . . . . 77 GLY H . 17314 1 776 . 1 1 77 77 GLY HA2 H 1 4.878 2 . . . . . . 77 GLY HA2 . 17314 1 777 . 1 1 77 77 GLY HA3 H 1 3.764 2 . . . . . . 77 GLY HA3 . 17314 1 778 . 1 1 77 77 GLY C C 13 172.830 1 . 1 . . . . 77 GLY C . 17314 1 779 . 1 1 77 77 GLY CA C 13 43.912 1 . 1 . . . . 77 GLY CA . 17314 1 780 . 1 1 77 77 GLY N N 15 106.771 1 . 1 . . . . 77 GLY N . 17314 1 781 . 1 1 78 78 VAL H H 1 9.345 1 . 1 . . . . 78 VAL H . 17314 1 782 . 1 1 78 78 VAL HA H 1 5.598 1 . 1 . . . . 78 VAL HA . 17314 1 783 . 1 1 78 78 VAL HB H 1 1.829 1 . 1 . . . . 78 VAL HB . 17314 1 784 . 1 1 78 78 VAL HG11 H 1 0.739 2 . . . . . . 78 VAL MG1 . 17314 1 785 . 1 1 78 78 VAL HG12 H 1 0.739 2 . . . . . . 78 VAL MG1 . 17314 1 786 . 1 1 78 78 VAL HG13 H 1 0.739 2 . . . . . . 78 VAL MG1 . 17314 1 787 . 1 1 78 78 VAL HG21 H 1 0.935 2 . . . . . . 78 VAL MG2 . 17314 1 788 . 1 1 78 78 VAL HG22 H 1 0.935 2 . . . . . . 78 VAL MG2 . 17314 1 789 . 1 1 78 78 VAL HG23 H 1 0.935 2 . . . . . . 78 VAL MG2 . 17314 1 790 . 1 1 78 78 VAL C C 13 175.784 1 . 1 . . . . 78 VAL C . 17314 1 791 . 1 1 78 78 VAL CA C 13 58.765 1 . 1 . . . . 78 VAL CA . 17314 1 792 . 1 1 78 78 VAL CB C 13 33.978 1 . 1 . . . . 78 VAL CB . 17314 1 793 . 1 1 78 78 VAL CG1 C 13 20.532 2 . . . . . . 78 VAL CG1 . 17314 1 794 . 1 1 78 78 VAL CG2 C 13 22.561 2 . . . . . . 78 VAL CG2 . 17314 1 795 . 1 1 78 78 VAL N N 15 116.675 1 . 1 . . . . 78 VAL N . 17314 1 796 . 1 1 79 79 LYS H H 1 8.460 1 . 1 . . . . 79 LYS H . 17314 1 797 . 1 1 79 79 LYS HA H 1 4.809 1 . 1 . . . . 79 LYS HA . 17314 1 798 . 1 1 79 79 LYS HB2 H 1 1.095 2 . . . . . . 79 LYS HB2 . 17314 1 799 . 1 1 79 79 LYS HB3 H 1 0.825 2 . . . . . . 79 LYS HB3 . 17314 1 800 . 1 1 79 79 LYS HE2 H 1 2.645 2 . . . . . . 79 LYS HE2 . 17314 1 801 . 1 1 79 79 LYS HE3 H 1 2.645 2 . . . . . . 79 LYS HE3 . 17314 1 802 . 1 1 79 79 LYS C C 13 175.820 1 . 1 . . . . 79 LYS C . 17314 1 803 . 1 1 79 79 LYS CA C 13 55.251 1 . 1 . . . . 79 LYS CA . 17314 1 804 . 1 1 79 79 LYS CB C 13 37.556 1 . 1 . . . . 79 LYS CB . 17314 1 805 . 1 1 79 79 LYS CG C 13 14.510 1 . 1 . . . . 79 LYS CG . 17314 1 806 . 1 1 79 79 LYS CD C 13 22.780 1 . 1 . . . . 79 LYS CD . 17314 1 807 . 1 1 79 79 LYS N N 15 121.653 1 . 1 . . . . 79 LYS N . 17314 1 808 . 1 1 80 80 ILE H H 1 9.154 1 . 1 . . . . 80 ILE H . 17314 1 809 . 1 1 80 80 ILE HA H 1 4.113 1 . 1 . . . . 80 ILE HA . 17314 1 810 . 1 1 80 80 ILE HB H 1 1.389 1 . 1 . . . . 80 ILE HB . 17314 1 811 . 1 1 80 80 ILE HG12 H 1 0.619 2 . . . . . . 80 ILE HG12 . 17314 1 812 . 1 1 80 80 ILE HG13 H 1 0.619 2 . . . . . . 80 ILE HG13 . 17314 1 813 . 1 1 80 80 ILE HG21 H 1 0.791 1 . 1 . . . . 80 ILE MG . 17314 1 814 . 1 1 80 80 ILE HG22 H 1 0.791 1 . 1 . . . . 80 ILE MG . 17314 1 815 . 1 1 80 80 ILE HG23 H 1 0.791 1 . 1 . . . . 80 ILE MG . 17314 1 816 . 1 1 80 80 ILE HD11 H 1 0.002 1 . 1 . . . . 80 ILE MD . 17314 1 817 . 1 1 80 80 ILE HD12 H 1 0.002 1 . 1 . . . . 80 ILE MD . 17314 1 818 . 1 1 80 80 ILE HD13 H 1 0.002 1 . 1 . . . . 80 ILE MD . 17314 1 819 . 1 1 80 80 ILE C C 13 174.759 1 . 1 . . . . 80 ILE C . 17314 1 820 . 1 1 80 80 ILE CA C 13 62.696 1 . 1 . . . . 80 ILE CA . 17314 1 821 . 1 1 80 80 ILE CB C 13 37.531 1 . 1 . . . . 80 ILE CB . 17314 1 822 . 1 1 80 80 ILE CG1 C 13 28.521 1 . 1 . . . . 80 ILE CG1 . 17314 1 823 . 1 1 80 80 ILE CG2 C 13 16.683 1 . 1 . . . . 80 ILE CG2 . 17314 1 824 . 1 1 80 80 ILE N N 15 127.910 1 . 1 . . . . 80 ILE N . 17314 1 825 . 1 1 81 81 LYS H H 1 8.989 1 . 1 . . . . 81 LYS H . 17314 1 826 . 1 1 81 81 LYS HA H 1 4.047 1 . 1 . . . . 81 LYS HA . 17314 1 827 . 1 1 81 81 LYS HB2 H 1 1.868 2 . . . . . . 81 LYS HB2 . 17314 1 828 . 1 1 81 81 LYS HB3 H 1 1.566 2 . . . . . . 81 LYS HB3 . 17314 1 829 . 1 1 81 81 LYS HD2 H 1 1.451 2 . . . . . . 81 LYS HD2 . 17314 1 830 . 1 1 81 81 LYS HD3 H 1 1.286 2 . . . . . . 81 LYS HD3 . 17314 1 831 . 1 1 81 81 LYS HE2 H 1 2.825 2 . . . . . . 81 LYS HE2 . 17314 1 832 . 1 1 81 81 LYS HE3 H 1 2.825 2 . . . . . . 81 LYS HE3 . 17314 1 833 . 1 1 81 81 LYS C C 13 177.895 1 . 1 . . . . 81 LYS C . 17314 1 834 . 1 1 81 81 LYS CA C 13 57.459 1 . 1 . . . . 81 LYS CA . 17314 1 835 . 1 1 81 81 LYS CB C 13 34.403 1 . 1 . . . . 81 LYS CB . 17314 1 836 . 1 1 81 81 LYS CD C 13 25.460 1 . 1 . . . . 81 LYS CD . 17314 1 837 . 1 1 81 81 LYS N N 15 131.272 1 . 1 . . . . 81 LYS N . 17314 1 838 . 1 1 82 82 GLY H H 1 8.784 1 . 1 . . . . 82 GLY H . 17314 1 839 . 1 1 82 82 GLY HA2 H 1 4.338 2 . . . . . . 82 GLY HA2 . 17314 1 840 . 1 1 82 82 GLY HA3 H 1 3.652 2 . . . . . . 82 GLY HA3 . 17314 1 841 . 1 1 82 82 GLY C C 13 173.673 1 . 1 . . . . 82 GLY C . 17314 1 842 . 1 1 82 82 GLY CA C 13 45.751 1 . 1 . . . . 82 GLY CA . 17314 1 843 . 1 1 82 82 GLY N N 15 112.109 1 . 1 . . . . 82 GLY N . 17314 1 844 . 1 1 83 83 CYS H H 1 7.598 1 . 1 . . . . 83 CYS H . 17314 1 845 . 1 1 83 83 CYS HA H 1 4.993 1 . 1 . . . . 83 CYS HA . 17314 1 846 . 1 1 83 83 CYS HB2 H 1 2.952 2 . . . . . . 83 CYS HB2 . 17314 1 847 . 1 1 83 83 CYS HB3 H 1 2.514 2 . . . . . . 83 CYS HB3 . 17314 1 848 . 1 1 83 83 CYS C C 13 174.862 1 . 1 . . . . 83 CYS C . 17314 1 849 . 1 1 83 83 CYS CA C 13 56.414 1 . 1 . . . . 83 CYS CA . 17314 1 850 . 1 1 83 83 CYS CB C 13 30.546 1 . 1 . . . . 83 CYS CB . 17314 1 851 . 1 1 83 83 CYS N N 15 120.537 1 . 1 . . . . 83 CYS N . 17314 1 852 . 1 1 85 85 SER H H 1 8.445 1 . 1 . . . . 85 SER H . 17314 1 853 . 1 1 85 85 SER HA H 1 4.193 1 . 1 . . . . 85 SER HA . 17314 1 854 . 1 1 85 85 SER HB2 H 1 3.732 2 . . . . . . 85 SER HB2 . 17314 1 855 . 1 1 85 85 SER HB3 H 1 3.732 2 . . . . . . 85 SER HB3 . 17314 1 856 . 1 1 85 85 SER CA C 13 59.046 1 . 1 . . . . 85 SER CA . 17314 1 857 . 1 1 85 85 SER CB C 13 62.379 1 . 1 . . . . 85 SER CB . 17314 1 858 . 1 1 86 86 GLU H H 1 7.197 1 . 1 . . . . 86 GLU H . 17314 1 859 . 1 1 86 86 GLU HA H 1 4.824 1 . 1 . . . . 86 GLU HA . 17314 1 860 . 1 1 86 86 GLU HB2 H 1 1.823 2 . . . . . . 86 GLU HB2 . 17314 1 861 . 1 1 86 86 GLU HB3 H 1 1.823 2 . . . . . . 86 GLU HB3 . 17314 1 862 . 1 1 86 86 GLU HG2 H 1 2.378 2 . . . . . . 86 GLU HG2 . 17314 1 863 . 1 1 86 86 GLU HG3 H 1 2.378 2 . . . . . . 86 GLU HG3 . 17314 1 864 . 1 1 86 86 GLU CA C 13 54.286 1 . 1 . . . . 86 GLU CA . 17314 1 865 . 1 1 86 86 GLU CB C 13 28.892 1 . 1 . . . . 86 GLU CB . 17314 1 866 . 1 1 86 86 GLU N N 15 123.226 1 . 1 . . . . 86 GLU N . 17314 1 867 . 1 1 87 87 PRO HA H 1 4.399 1 . 1 . . . . 87 PRO HA . 17314 1 868 . 1 1 87 87 PRO HB2 H 1 1.876 2 . . . . . . 87 PRO HB2 . 17314 1 869 . 1 1 87 87 PRO HB3 H 1 1.345 2 . . . . . . 87 PRO HB3 . 17314 1 870 . 1 1 87 87 PRO HG2 H 1 1.647 2 . . . . . . 87 PRO HG2 . 17314 1 871 . 1 1 87 87 PRO HG3 H 1 1.245 2 . . . . . . 87 PRO HG3 . 17314 1 872 . 1 1 87 87 PRO C C 13 175.144 1 . 1 . . . . 87 PRO C . 17314 1 873 . 1 1 87 87 PRO CA C 13 60.920 1 . 1 . . . . 87 PRO CA . 17314 1 874 . 1 1 87 87 PRO CB C 13 32.300 1 . 1 . . . . 87 PRO CB . 17314 1 875 . 1 1 87 87 PRO CG C 13 26.367 1 . 1 . . . . 87 PRO CG . 17314 1 876 . 1 1 88 88 TYR H H 1 7.880 1 . 1 . . . . 88 TYR H . 17314 1 877 . 1 1 88 88 TYR HA H 1 4.513 1 . 1 . . . . 88 TYR HA . 17314 1 878 . 1 1 88 88 TYR HB2 H 1 2.657 2 . . . . . . 88 TYR HB2 . 17314 1 879 . 1 1 88 88 TYR HB3 H 1 2.484 2 . . . . . . 88 TYR HB3 . 17314 1 880 . 1 1 88 88 TYR C C 13 176.978 1 . 1 . . . . 88 TYR C . 17314 1 881 . 1 1 88 88 TYR CA C 13 58.747 1 . 1 . . . . 88 TYR CA . 17314 1 882 . 1 1 88 88 TYR CB C 13 39.924 1 . 1 . . . . 88 TYR CB . 17314 1 883 . 1 1 88 88 TYR N N 15 113.856 1 . 1 . . . . 88 TYR N . 17314 1 884 . 1 1 89 89 PHE H H 1 9.593 1 . 1 . . . . 89 PHE H . 17314 1 885 . 1 1 89 89 PHE HA H 1 4.800 1 . 1 . . . . 89 PHE HA . 17314 1 886 . 1 1 89 89 PHE HB2 H 1 3.181 2 . . . . . . 89 PHE HB2 . 17314 1 887 . 1 1 89 89 PHE HB3 H 1 2.765 2 . . . . . . 89 PHE HB3 . 17314 1 888 . 1 1 89 89 PHE C C 13 176.667 1 . 1 . . . . 89 PHE C . 17314 1 889 . 1 1 89 89 PHE CA C 13 56.865 1 . 1 . . . . 89 PHE CA . 17314 1 890 . 1 1 89 89 PHE CB C 13 43.670 1 . 1 . . . . 89 PHE CB . 17314 1 891 . 1 1 89 89 PHE N N 15 119.096 1 . 1 . . . . 89 PHE N . 17314 1 892 . 1 1 90 90 GLY H H 1 9.360 1 . 1 . . . . 90 GLY H . 17314 1 893 . 1 1 90 90 GLY HA2 H 1 3.860 2 . . . . . . 90 GLY HA2 . 17314 1 894 . 1 1 90 90 GLY HA3 H 1 4.163 2 . . . . . . 90 GLY HA3 . 17314 1 895 . 1 1 90 90 GLY C C 13 173.708 1 . 1 . . . . 90 GLY C . 17314 1 896 . 1 1 90 90 GLY CA C 13 46.549 1 . 1 . . . . 90 GLY CA . 17314 1 897 . 1 1 90 90 GLY N N 15 105.966 1 . 1 . . . . 90 GLY N . 17314 1 898 . 1 1 91 91 SER H H 1 7.357 1 . 1 . . . . 91 SER H . 17314 1 899 . 1 1 91 91 SER HA H 1 4.640 1 . 1 . . . . 91 SER HA . 17314 1 900 . 1 1 91 91 SER HB2 H 1 4.198 2 . . . . . . 91 SER HB2 . 17314 1 901 . 1 1 91 91 SER HB3 H 1 4.198 2 . . . . . . 91 SER HB3 . 17314 1 902 . 1 1 91 91 SER C C 13 174.211 1 . 1 . . . . 91 SER C . 17314 1 903 . 1 1 91 91 SER CA C 13 56.157 1 . 1 . . . . 91 SER CA . 17314 1 904 . 1 1 91 91 SER CB C 13 66.068 1 . 1 . . . . 91 SER CB . 17314 1 905 . 1 1 91 91 SER N N 15 107.592 1 . 1 . . . . 91 SER N . 17314 1 906 . 1 1 92 92 LEU H H 1 9.335 1 . 1 . . . . 92 LEU H . 17314 1 907 . 1 1 92 92 LEU HA H 1 3.835 1 . 1 . . . . 92 LEU HA . 17314 1 908 . 1 1 92 92 LEU HB2 H 1 1.631 2 . . . . . . 92 LEU HB2 . 17314 1 909 . 1 1 92 92 LEU HB3 H 1 1.335 2 . . . . . . 92 LEU HB3 . 17314 1 910 . 1 1 92 92 LEU HD11 H 1 0.251 2 . . . . . . 92 LEU MD1 . 17314 1 911 . 1 1 92 92 LEU HD12 H 1 0.251 2 . . . . . . 92 LEU MD1 . 17314 1 912 . 1 1 92 92 LEU HD13 H 1 0.251 2 . . . . . . 92 LEU MD1 . 17314 1 913 . 1 1 92 92 LEU HD21 H 1 0.051 2 . . . . . . 92 LEU MD2 . 17314 1 914 . 1 1 92 92 LEU HD22 H 1 0.051 2 . . . . . . 92 LEU MD2 . 17314 1 915 . 1 1 92 92 LEU HD23 H 1 0.051 2 . . . . . . 92 LEU MD2 . 17314 1 916 . 1 1 92 92 LEU C C 13 178.360 1 . 1 . . . . 92 LEU C . 17314 1 917 . 1 1 92 92 LEU CA C 13 57.672 1 . 1 . . . . 92 LEU CA . 17314 1 918 . 1 1 92 92 LEU CB C 13 42.097 1 . 1 . . . . 92 LEU CB . 17314 1 919 . 1 1 92 92 LEU CG C 13 26.797 1 . 1 . . . . 92 LEU CG . 17314 1 920 . 1 1 92 92 LEU CD1 C 13 23.658 2 . . . . . . 92 LEU CD1 . 17314 1 921 . 1 1 92 92 LEU CD2 C 13 23.658 2 . . . . . . 92 LEU CD2 . 17314 1 922 . 1 1 92 92 LEU N N 15 122.279 1 . 1 . . . . 92 LEU N . 17314 1 923 . 1 1 93 93 SER H H 1 8.716 1 . 1 . . . . 93 SER H . 17314 1 924 . 1 1 93 93 SER HA H 1 4.823 1 . 1 . . . . 93 SER HA . 17314 1 925 . 1 1 93 93 SER HB2 H 1 4.047 2 . . . . . . 93 SER HB2 . 17314 1 926 . 1 1 93 93 SER HB3 H 1 3.979 2 . . . . . . 93 SER HB3 . 17314 1 927 . 1 1 93 93 SER C C 13 176.381 1 . 1 . . . . 93 SER C . 17314 1 928 . 1 1 93 93 SER CB C 13 62.314 1 . 1 . . . . 93 SER CB . 17314 1 929 . 1 1 93 93 SER N N 15 113.882 1 . 1 . . . . 93 SER N . 17314 1 930 . 1 1 94 94 ALA H H 1 7.969 1 . 1 . . . . 94 ALA H . 17314 1 931 . 1 1 94 94 ALA HA H 1 4.112 1 . 1 . . . . 94 ALA HA . 17314 1 932 . 1 1 94 94 ALA HB1 H 1 1.616 1 . 1 . . . . 94 ALA MB . 17314 1 933 . 1 1 94 94 ALA HB2 H 1 1.616 1 . 1 . . . . 94 ALA MB . 17314 1 934 . 1 1 94 94 ALA HB3 H 1 1.616 1 . 1 . . . . 94 ALA MB . 17314 1 935 . 1 1 94 94 ALA C C 13 178.942 1 . 1 . . . . 94 ALA C . 17314 1 936 . 1 1 94 94 ALA CA C 13 54.956 1 . 1 . . . . 94 ALA CA . 17314 1 937 . 1 1 94 94 ALA CB C 13 18.677 1 . 1 . . . . 94 ALA CB . 17314 1 938 . 1 1 94 94 ALA N N 15 125.373 1 . 1 . . . . 94 ALA N . 17314 1 939 . 1 1 95 95 LEU H H 1 7.333 1 . 1 . . . . 95 LEU H . 17314 1 940 . 1 1 95 95 LEU HB2 H 1 1.840 2 . . . . . . 95 LEU HB2 . 17314 1 941 . 1 1 95 95 LEU HB3 H 1 1.323 2 . . . . . . 95 LEU HB3 . 17314 1 942 . 1 1 95 95 LEU HG H 1 2.379 1 . 1 . . . . 95 LEU HG . 17314 1 943 . 1 1 95 95 LEU HD11 H 1 0.104 2 . . . . . . 95 LEU MD1 . 17314 1 944 . 1 1 95 95 LEU HD12 H 1 0.104 2 . . . . . . 95 LEU MD1 . 17314 1 945 . 1 1 95 95 LEU HD13 H 1 0.104 2 . . . . . . 95 LEU MD1 . 17314 1 946 . 1 1 95 95 LEU HD21 H 1 0.770 2 . . . . . . 95 LEU MD2 . 17314 1 947 . 1 1 95 95 LEU HD22 H 1 0.770 2 . . . . . . 95 LEU MD2 . 17314 1 948 . 1 1 95 95 LEU HD23 H 1 0.770 2 . . . . . . 95 LEU MD2 . 17314 1 949 . 1 1 95 95 LEU C C 13 180.484 1 . 1 . . . . 95 LEU C . 17314 1 950 . 1 1 95 95 LEU CA C 13 58.724 1 . 1 . . . . 95 LEU CA . 17314 1 951 . 1 1 95 95 LEU CB C 13 41.983 1 . 1 . . . . 95 LEU CB . 17314 1 952 . 1 1 95 95 LEU N N 15 121.699 1 . 1 . . . . 95 LEU N . 17314 1 953 . 1 1 96 96 VAL H H 1 8.376 1 . 1 . . . . 96 VAL H . 17314 1 954 . 1 1 96 96 VAL HA H 1 5.573 1 . 1 . . . . 96 VAL HA . 17314 1 955 . 1 1 96 96 VAL HB H 1 2.700 1 . 1 . . . . 96 VAL HB . 17314 1 956 . 1 1 96 96 VAL HG11 H 1 1.432 2 . . . . . . 96 VAL MG1 . 17314 1 957 . 1 1 96 96 VAL HG12 H 1 1.432 2 . . . . . . 96 VAL MG1 . 17314 1 958 . 1 1 96 96 VAL HG13 H 1 1.432 2 . . . . . . 96 VAL MG1 . 17314 1 959 . 1 1 96 96 VAL HG21 H 1 1.432 2 . . . . . . 96 VAL MG2 . 17314 1 960 . 1 1 96 96 VAL HG22 H 1 1.432 2 . . . . . . 96 VAL MG2 . 17314 1 961 . 1 1 96 96 VAL HG23 H 1 1.432 2 . . . . . . 96 VAL MG2 . 17314 1 962 . 1 1 96 96 VAL C C 13 176.945 1 . 1 . . . . 96 VAL C . 17314 1 963 . 1 1 96 96 VAL CA C 13 66.322 1 . 1 . . . . 96 VAL CA . 17314 1 964 . 1 1 96 96 VAL CB C 13 31.596 1 . 1 . . . . 96 VAL CB . 17314 1 965 . 1 1 96 96 VAL CG1 C 13 21.785 2 . . . . . . 96 VAL CG1 . 17314 1 966 . 1 1 96 96 VAL CG2 C 13 21.785 2 . . . . . . 96 VAL CG2 . 17314 1 967 . 1 1 96 96 VAL N N 15 124.503 1 . 1 . . . . 96 VAL N . 17314 1 968 . 1 1 97 97 SER H H 1 8.265 1 . 1 . . . . 97 SER H . 17314 1 969 . 1 1 97 97 SER HB2 H 1 3.839 2 . . . . . . 97 SER HB2 . 17314 1 970 . 1 1 97 97 SER HB3 H 1 3.839 2 . . . . . . 97 SER HB3 . 17314 1 971 . 1 1 97 97 SER C C 13 179.142 1 . 1 . . . . 97 SER C . 17314 1 972 . 1 1 97 97 SER CB C 13 62.230 1 . 1 . . . . 97 SER CB . 17314 1 973 . 1 1 97 97 SER N N 15 114.368 1 . 1 . . . . 97 SER N . 17314 1 974 . 1 1 98 98 GLN H H 1 7.966 1 . 1 . . . . 98 GLN H . 17314 1 975 . 1 1 98 98 GLN HA H 1 4.040 1 . 1 . . . . 98 GLN HA . 17314 1 976 . 1 1 98 98 GLN HB2 H 1 1.592 2 . . . . . . 98 GLN HB2 . 17314 1 977 . 1 1 98 98 GLN HB3 H 1 2.111 2 . . . . . . 98 GLN HB3 . 17314 1 978 . 1 1 98 98 GLN HG2 H 1 2.540 2 . . . . . . 98 GLN HG2 . 17314 1 979 . 1 1 98 98 GLN HG3 H 1 2.540 2 . . . . . . 98 GLN HG3 . 17314 1 980 . 1 1 98 98 GLN C C 13 178.729 1 . 1 . . . . 98 GLN C . 17314 1 981 . 1 1 98 98 GLN CA C 13 58.620 1 . 1 . . . . 98 GLN CA . 17314 1 982 . 1 1 98 98 GLN CB C 13 28.424 1 . 1 . . . . 98 GLN CB . 17314 1 983 . 1 1 98 98 GLN N N 15 119.839 1 . 1 . . . . 98 GLN N . 17314 1 984 . 1 1 99 99 HIS H H 1 9.617 1 . 1 . . . . 99 HIS H . 17314 1 985 . 1 1 99 99 HIS HA H 1 4.830 1 . 1 . . . . 99 HIS HA . 17314 1 986 . 1 1 99 99 HIS HB2 H 1 3.119 2 . . . . . . 99 HIS HB2 . 17314 1 987 . 1 1 99 99 HIS HB3 H 1 2.650 2 . . . . . . 99 HIS HB3 . 17314 1 988 . 1 1 100 100 SER H H 1 7.664 1 . 1 . . . . 100 SER H . 17314 1 989 . 1 1 100 100 SER HA H 1 4.933 1 . 1 . . . . 100 SER HA . 17314 1 990 . 1 1 100 100 SER HB2 H 1 4.005 2 . . . . . . 100 SER HB2 . 17314 1 991 . 1 1 100 100 SER HB3 H 1 3.659 2 . . . . . . 100 SER HB3 . 17314 1 992 . 1 1 100 100 SER C C 13 173.490 1 . 1 . . . . 100 SER C . 17314 1 993 . 1 1 100 100 SER CA C 13 59.579 1 . 1 . . . . 100 SER CA . 17314 1 994 . 1 1 100 100 SER CB C 13 63.772 1 . 1 . . . . 100 SER CB . 17314 1 995 . 1 1 100 100 SER N N 15 116.671 1 . 1 . . . . 100 SER N . 17314 1 996 . 1 1 101 101 ILE H H 1 7.060 1 . 1 . . . . 101 ILE H . 17314 1 997 . 1 1 101 101 ILE HA H 1 4.174 1 . 1 . . . . 101 ILE HA . 17314 1 998 . 1 1 101 101 ILE HB H 1 1.829 1 . 1 . . . . 101 ILE HB . 17314 1 999 . 1 1 101 101 ILE HG12 H 1 1.028 2 . . . . . . 101 ILE HG12 . 17314 1 1000 . 1 1 101 101 ILE HG13 H 1 1.493 2 . . . . . . 101 ILE HG13 . 17314 1 1001 . 1 1 101 101 ILE HG21 H 1 0.835 1 . 1 . . . . 101 ILE MG . 17314 1 1002 . 1 1 101 101 ILE HG22 H 1 0.835 1 . 1 . . . . 101 ILE MG . 17314 1 1003 . 1 1 101 101 ILE HG23 H 1 0.835 1 . 1 . . . . 101 ILE MG . 17314 1 1004 . 1 1 101 101 ILE HD11 H 1 0.781 1 . 1 . . . . 101 ILE MD . 17314 1 1005 . 1 1 101 101 ILE HD12 H 1 0.781 1 . 1 . . . . 101 ILE MD . 17314 1 1006 . 1 1 101 101 ILE HD13 H 1 0.781 1 . 1 . . . . 101 ILE MD . 17314 1 1007 . 1 1 101 101 ILE C C 13 175.742 1 . 1 . . . . 101 ILE C . 17314 1 1008 . 1 1 101 101 ILE CA C 13 62.251 1 . 1 . . . . 101 ILE CA . 17314 1 1009 . 1 1 101 101 ILE CB C 13 39.943 1 . 1 . . . . 101 ILE CB . 17314 1 1010 . 1 1 101 101 ILE CG1 C 13 27.464 2 . 1 . . . . 101 ILE CG1 . 17314 1 1011 . 1 1 101 101 ILE CG2 C 13 27.464 2 . 1 . . . . 101 ILE CG2 . 17314 1 1012 . 1 1 101 101 ILE N N 15 120.157 1 . 1 . . . . 101 ILE N . 17314 1 1013 . 1 1 102 102 SER H H 1 8.063 1 . 1 . . . . 102 SER H . 17314 1 1014 . 1 1 102 102 SER HA H 1 4.766 1 . 1 . . . . 102 SER HA . 17314 1 1015 . 1 1 102 102 SER HB2 H 1 3.600 2 . . . . . . 102 SER HB2 . 17314 1 1016 . 1 1 102 102 SER HB3 H 1 3.600 2 . . . . . . 102 SER HB3 . 17314 1 1017 . 1 1 102 102 SER C C 13 171.815 1 . 1 . . . . 102 SER C . 17314 1 1018 . 1 1 102 102 SER CA C 13 54.024 1 . 1 . . . . 102 SER CA . 17314 1 1019 . 1 1 102 102 SER CB C 13 65.319 1 . 1 . . . . 102 SER CB . 17314 1 1020 . 1 1 102 102 SER N N 15 116.898 1 . 1 . . . . 102 SER N . 17314 1 1021 . 1 1 103 103 PRO HA H 1 4.117 1 . 1 . . . . 103 PRO HA . 17314 1 1022 . 1 1 103 103 PRO HB2 H 1 1.817 2 . . . . . . 103 PRO HB2 . 17314 1 1023 . 1 1 103 103 PRO HB3 H 1 1.560 2 . . . . . . 103 PRO HB3 . 17314 1 1024 . 1 1 103 103 PRO C C 13 177.649 1 . 1 . . . . 103 PRO C . 17314 1 1025 . 1 1 103 103 PRO CA C 13 64.705 1 . 1 . . . . 103 PRO CA . 17314 1 1026 . 1 1 103 103 PRO CB C 13 31.507 1 . 1 . . . . 103 PRO CB . 17314 1 1027 . 1 1 103 103 PRO CG C 13 27.998 1 . 1 . . . . 103 PRO CG . 17314 1 1028 . 1 1 104 104 ILE H H 1 8.027 1 . 1 . . . . 104 ILE H . 17314 1 1029 . 1 1 104 104 ILE HA H 1 3.624 1 . 1 . . . . 104 ILE HA . 17314 1 1030 . 1 1 104 104 ILE HB H 1 3.079 1 . 1 . . . . 104 ILE HB . 17314 1 1031 . 1 1 104 104 ILE HG12 H 1 1.118 2 . . . . . . 104 ILE HG12 . 17314 1 1032 . 1 1 104 104 ILE HG13 H 1 1.118 2 . . . . . . 104 ILE HG13 . 17314 1 1033 . 1 1 104 104 ILE HG21 H 1 0.731 1 . 1 . . . . 104 ILE MG . 17314 1 1034 . 1 1 104 104 ILE HG22 H 1 0.731 1 . 1 . . . . 104 ILE MG . 17314 1 1035 . 1 1 104 104 ILE HG23 H 1 0.731 1 . 1 . . . . 104 ILE MG . 17314 1 1036 . 1 1 104 104 ILE HD11 H 1 0.434 1 . 1 . . . . 104 ILE MD . 17314 1 1037 . 1 1 104 104 ILE HD12 H 1 0.434 1 . 1 . . . . 104 ILE MD . 17314 1 1038 . 1 1 104 104 ILE HD13 H 1 0.434 1 . 1 . . . . 104 ILE MD . 17314 1 1039 . 1 1 104 104 ILE C C 13 175.125 1 . 1 . . . . 104 ILE C . 17314 1 1040 . 1 1 104 104 ILE CA C 13 64.811 1 . 1 . . . . 104 ILE CA . 17314 1 1041 . 1 1 104 104 ILE CB C 13 33.865 1 . 1 . . . . 104 ILE CB . 17314 1 1042 . 1 1 104 104 ILE N N 15 114.920 1 . 1 . . . . 104 ILE N . 17314 1 1043 . 1 1 105 105 SER H H 1 8.379 1 . 1 . . . . 105 SER H . 17314 1 1044 . 1 1 105 105 SER HA H 1 4.429 1 . 1 . . . . 105 SER HA . 17314 1 1045 . 1 1 105 105 SER HB2 H 1 3.973 2 . . . . . . 105 SER HB2 . 17314 1 1046 . 1 1 105 105 SER HB3 H 1 3.973 2 . . . . . . 105 SER HB3 . 17314 1 1047 . 1 1 105 105 SER C C 13 174.791 1 . 1 . . . . 105 SER C . 17314 1 1048 . 1 1 105 105 SER CA C 13 60.009 1 . 1 . . . . 105 SER CA . 17314 1 1049 . 1 1 105 105 SER CB C 13 65.043 1 . 1 . . . . 105 SER CB . 17314 1 1050 . 1 1 105 105 SER N N 15 121.271 1 . 1 . . . . 105 SER N . 17314 1 1051 . 1 1 106 106 LEU H H 1 8.211 1 . 1 . . . . 106 LEU H . 17314 1 1052 . 1 1 106 106 LEU HA H 1 4.827 1 . 1 . . . . 106 LEU HA . 17314 1 1053 . 1 1 106 106 LEU HB2 H 1 1.931 2 . . . . . . 106 LEU HB2 . 17314 1 1054 . 1 1 106 106 LEU HB3 H 1 1.931 2 . . . . . . 106 LEU HB3 . 17314 1 1055 . 1 1 106 106 LEU HG H 1 2.241 1 . 1 . . . . 106 LEU HG . 17314 1 1056 . 1 1 106 106 LEU HD11 H 1 0.278 2 . . . . . . 106 LEU MD1 . 17314 1 1057 . 1 1 106 106 LEU HD12 H 1 0.278 2 . . . . . . 106 LEU MD1 . 17314 1 1058 . 1 1 106 106 LEU HD13 H 1 0.278 2 . . . . . . 106 LEU MD1 . 17314 1 1059 . 1 1 106 106 LEU HD21 H 1 0.956 2 . . . . . . 106 LEU MD2 . 17314 1 1060 . 1 1 106 106 LEU HD22 H 1 0.956 2 . . . . . . 106 LEU MD2 . 17314 1 1061 . 1 1 106 106 LEU HD23 H 1 0.956 2 . . . . . . 106 LEU MD2 . 17314 1 1062 . 1 1 106 106 LEU CA C 13 52.950 1 . 1 . . . . 106 LEU CA . 17314 1 1063 . 1 1 106 106 LEU N N 15 123.099 1 . 1 . . . . 106 LEU N . 17314 1 1064 . 1 1 107 107 PRO HA H 1 4.329 1 . 1 . . . . 107 PRO HA . 17314 1 1065 . 1 1 107 107 PRO HB2 H 1 2.391 2 . . . . . . 107 PRO HB2 . 17314 1 1066 . 1 1 107 107 PRO HB3 H 1 1.950 2 . . . . . . 107 PRO HB3 . 17314 1 1067 . 1 1 107 107 PRO HG2 H 1 2.136 2 . . . . . . 107 PRO HG2 . 17314 1 1068 . 1 1 107 107 PRO HG3 H 1 2.136 2 . . . . . . 107 PRO HG3 . 17314 1 1069 . 1 1 107 107 PRO HD2 H 1 3.806 2 . . . . . . 107 PRO HD2 . 17314 1 1070 . 1 1 107 107 PRO HD3 H 1 3.806 2 . . . . . . 107 PRO HD3 . 17314 1 1071 . 1 1 107 107 PRO C C 13 175.447 1 . 1 . . . . 107 PRO C . 17314 1 1072 . 1 1 107 107 PRO CA C 13 63.469 1 . 1 . . . . 107 PRO CA . 17314 1 1073 . 1 1 107 107 PRO CB C 13 32.100 1 . 1 . . . . 107 PRO CB . 17314 1 1074 . 1 1 107 107 PRO CG C 13 28.513 1 . 1 . . . . 107 PRO CG . 17314 1 1075 . 1 1 108 108 CYS H H 1 7.077 1 . 1 . . . . 108 CYS H . 17314 1 1076 . 1 1 108 108 CYS HA H 1 3.609 1 . 1 . . . . 108 CYS HA . 17314 1 1077 . 1 1 108 108 CYS HB2 H 1 3.303 2 . . . . . . 108 CYS HB2 . 17314 1 1078 . 1 1 108 108 CYS HB3 H 1 2.986 2 . . . . . . 108 CYS HB3 . 17314 1 1079 . 1 1 108 108 CYS C C 13 171.594 1 . 1 . . . . 108 CYS C . 17314 1 1080 . 1 1 108 108 CYS CA C 13 54.385 1 . 1 . . . . 108 CYS CA . 17314 1 1081 . 1 1 108 108 CYS CB C 13 30.321 1 . 1 . . . . 108 CYS CB . 17314 1 1082 . 1 1 108 108 CYS N N 15 108.869 1 . 1 . . . . 108 CYS N . 17314 1 1083 . 1 1 109 109 CYS H H 1 8.389 1 . 1 . . . . 109 CYS H . 17314 1 1084 . 1 1 109 109 CYS HA H 1 4.028 1 . 1 . . . . 109 CYS HA . 17314 1 1085 . 1 1 109 109 CYS HB2 H 1 2.686 2 . . . . . . 109 CYS HB2 . 17314 1 1086 . 1 1 109 109 CYS HB3 H 1 2.511 2 . . . . . . 109 CYS HB3 . 17314 1 1087 . 1 1 109 109 CYS C C 13 175.107 1 . 1 . . . . 109 CYS C . 17314 1 1088 . 1 1 109 109 CYS CA C 13 60.452 1 . 1 . . . . 109 CYS CA . 17314 1 1089 . 1 1 109 109 CYS CB C 13 27.991 1 . 1 . . . . 109 CYS CB . 17314 1 1090 . 1 1 109 109 CYS N N 15 121.923 1 . 1 . . . . 109 CYS N . 17314 1 1091 . 1 1 110 110 LEU H H 1 7.486 1 . 1 . . . . 110 LEU H . 17314 1 1092 . 1 1 110 110 LEU HA H 1 119.411 1 . 1 . . . . 110 LEU HA . 17314 1 1093 . 1 1 110 110 LEU HB2 H 1 0.641 2 . . . . . . 110 LEU HB2 . 17314 1 1094 . 1 1 110 110 LEU HB3 H 1 0.460 2 . . . . . . 110 LEU HB3 . 17314 1 1095 . 1 1 110 110 LEU HD11 H 1 0.025 2 . . . . . . 110 LEU MD1 . 17314 1 1096 . 1 1 110 110 LEU HD12 H 1 0.025 2 . . . . . . 110 LEU MD1 . 17314 1 1097 . 1 1 110 110 LEU HD13 H 1 0.025 2 . . . . . . 110 LEU MD1 . 17314 1 1098 . 1 1 110 110 LEU HD21 H 1 0.025 2 . . . . . . 110 LEU MD2 . 17314 1 1099 . 1 1 110 110 LEU HD22 H 1 0.025 2 . . . . . . 110 LEU MD2 . 17314 1 1100 . 1 1 110 110 LEU HD23 H 1 0.025 2 . . . . . . 110 LEU MD2 . 17314 1 1101 . 1 1 110 110 LEU C C 13 176.311 1 . 1 . . . . 110 LEU C . 17314 1 1102 . 1 1 110 110 LEU CA C 13 53.964 1 . 1 . . . . 110 LEU CA . 17314 1 1103 . 1 1 110 110 LEU CB C 13 39.772 1 . 1 . . . . 110 LEU CB . 17314 1 1104 . 1 1 110 110 LEU CG C 13 24.844 1 . 1 . . . . 110 LEU CG . 17314 1 1105 . 1 1 110 110 LEU CD1 C 13 22.211 2 . . . . . . 110 LEU CD1 . 17314 1 1106 . 1 1 110 110 LEU CD2 C 13 22.211 2 . . . . . . 110 LEU CD2 . 17314 1 1107 . 1 1 110 110 LEU N N 15 119.411 1 . 1 . . . . 110 LEU N . 17314 1 1108 . 1 1 111 111 ARG H H 1 8.336 1 . 1 . . . . 111 ARG H . 17314 1 1109 . 1 1 111 111 ARG HA H 1 4.370 1 . 1 . . . . 111 ARG HA . 17314 1 1110 . 1 1 111 111 ARG HB2 H 1 1.509 2 . . . . . . 111 ARG HB2 . 17314 1 1111 . 1 1 111 111 ARG HB3 H 1 1.509 2 . . . . . . 111 ARG HB3 . 17314 1 1112 . 1 1 111 111 ARG HG2 H 1 1.340 2 . . . . . . 111 ARG HG2 . 17314 1 1113 . 1 1 111 111 ARG HG3 H 1 1.885 2 . . . . . . 111 ARG HG3 . 17314 1 1114 . 1 1 111 111 ARG HD2 H 1 3.151 2 . . . . . . 111 ARG HD2 . 17314 1 1115 . 1 1 111 111 ARG HD3 H 1 3.151 2 . . . . . . 111 ARG HD3 . 17314 1 1116 . 1 1 111 111 ARG C C 13 174.637 1 . 1 . . . . 111 ARG C . 17314 1 1117 . 1 1 111 111 ARG CA C 13 54.621 1 . 1 . . . . 111 ARG CA . 17314 1 1118 . 1 1 111 111 ARG CB C 13 31.111 1 . 1 . . . . 111 ARG CB . 17314 1 1119 . 1 1 111 111 ARG CG C 13 27.942 1 . 1 . . . . 111 ARG CG . 17314 1 1120 . 1 1 111 111 ARG CD C 13 43.142 1 . 1 . . . . 111 ARG CD . 17314 1 1121 . 1 1 111 111 ARG N N 15 123.294 1 . 1 . . . . 111 ARG N . 17314 1 1122 . 1 1 112 112 ILE H H 1 8.704 1 . 1 . . . . 112 ILE H . 17314 1 1123 . 1 1 112 112 ILE HG12 H 1 1.059 2 . . . . . . 112 ILE HG12 . 17314 1 1124 . 1 1 112 112 ILE HG13 H 1 1.059 2 . . . . . . 112 ILE HG13 . 17314 1 1125 . 1 1 112 112 ILE HG21 H 1 0.767 1 . 1 . . . . 112 ILE MG . 17314 1 1126 . 1 1 112 112 ILE HG22 H 1 0.767 1 . 1 . . . . 112 ILE MG . 17314 1 1127 . 1 1 112 112 ILE HG23 H 1 0.767 1 . 1 . . . . 112 ILE MG . 17314 1 1128 . 1 1 112 112 ILE HD11 H 1 -0.001 1 . 1 . . . . 112 ILE MD . 17314 1 1129 . 1 1 112 112 ILE HD12 H 1 -0.001 1 . 1 . . . . 112 ILE MD . 17314 1 1130 . 1 1 112 112 ILE HD13 H 1 -0.001 1 . 1 . . . . 112 ILE MD . 17314 1 1131 . 1 1 112 112 ILE CA C 13 58.718 1 . 1 . . . . 112 ILE CA . 17314 1 1132 . 1 1 112 112 ILE CB C 13 38.090 1 . 1 . . . . 112 ILE CB . 17314 1 1133 . 1 1 112 112 ILE N N 15 127.201 1 . 1 . . . . 112 ILE N . 17314 1 1134 . 1 1 113 113 PRO HA H 1 4.434 1 . 1 . . . . 113 PRO HA . 17314 1 1135 . 1 1 113 113 PRO HB2 H 1 1.777 2 . . . . . . 113 PRO HB2 . 17314 1 1136 . 1 1 113 113 PRO HB3 H 1 1.777 2 . . . . . . 113 PRO HB3 . 17314 1 1137 . 1 1 113 113 PRO HD2 H 1 2.241 2 . . . . . . 113 PRO HD2 . 17314 1 1138 . 1 1 113 113 PRO HD3 H 1 2.241 2 . . . . . . 113 PRO HD3 . 17314 1 1139 . 1 1 113 113 PRO C C 13 175.765 1 . 1 . . . . 113 PRO C . 17314 1 1140 . 1 1 113 113 PRO CA C 13 62.877 1 . 1 . . . . 113 PRO CA . 17314 1 1141 . 1 1 113 113 PRO CB C 13 32.084 1 . 1 . . . . 113 PRO CB . 17314 1 1142 . 1 1 114 114 SER H H 1 8.375 1 . 1 . . . . 114 SER H . 17314 1 1143 . 1 1 114 114 SER HA H 1 4.322 1 . 1 . . . . 114 SER HA . 17314 1 1144 . 1 1 114 114 SER HB2 H 1 3.849 2 . . . . . . 114 SER HB2 . 17314 1 1145 . 1 1 114 114 SER HB3 H 1 3.734 2 . . . . . . 114 SER HB3 . 17314 1 1146 . 1 1 114 114 SER C C 13 174.239 1 . 1 . . . . 114 SER C . 17314 1 1147 . 1 1 114 114 SER CA C 13 57.757 1 . 1 . . . . 114 SER CA . 17314 1 1148 . 1 1 114 114 SER CB C 13 64.412 1 . 1 . . . . 114 SER CB . 17314 1 1149 . 1 1 114 114 SER N N 15 115.033 1 . 1 . . . . 114 SER N . 17314 1 1150 . 1 1 115 115 LYS H H 1 8.083 1 . 1 . . . . 115 LYS H . 17314 1 1151 . 1 1 115 115 LYS HA H 1 4.099 1 . 1 . . . . 115 LYS HA . 17314 1 1152 . 1 1 115 115 LYS HB2 H 1 1.649 2 . . . . . . 115 LYS HB2 . 17314 1 1153 . 1 1 115 115 LYS HB3 H 1 1.597 2 . . . . . . 115 LYS HB3 . 17314 1 1154 . 1 1 115 115 LYS HG2 H 1 1.247 2 . . . . . . 115 LYS HG2 . 17314 1 1155 . 1 1 115 115 LYS HG3 H 1 1.247 2 . . . . . . 115 LYS HG3 . 17314 1 1156 . 1 1 115 115 LYS HE2 H 1 2.873 2 . . . . . . 115 LYS HE2 . 17314 1 1157 . 1 1 115 115 LYS HE3 H 1 2.873 2 . . . . . . 115 LYS HE3 . 17314 1 1158 . 1 1 115 115 LYS C C 13 175.909 1 . 1 . . . . 115 LYS C . 17314 1 1159 . 1 1 115 115 LYS CA C 13 56.121 1 . 1 . . . . 115 LYS CA . 17314 1 1160 . 1 1 115 115 LYS CB C 13 33.267 1 . 1 . . . . 115 LYS CB . 17314 1 1161 . 1 1 115 115 LYS CG C 13 24.312 1 . 1 . . . . 115 LYS CG . 17314 1 1162 . 1 1 115 115 LYS CD C 13 29.306 1 . 1 . . . . 115 LYS CD . 17314 1 1163 . 1 1 115 115 LYS N N 15 121.692 1 . 1 . . . . 115 LYS N . 17314 1 stop_ save_