data_19302 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19302 _Entry.Title ; Solution Structure of ERCC4 domain of human FAAP24 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-18 _Entry.Accession_date 2013-06-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Fangming Wu . . . 19302 2 Xiao Han . . . 19302 3 Chaowei Shi . . . 19302 4 Weimin Gong . . . 19302 5 Changlin Tian . . . 19302 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' . 19302 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ERCC4 domain' . 19302 FAAP24 . 19302 'Fanconi anemia' . 19302 'Solution NMR' . 19302 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19302 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 542 19302 '15N chemical shifts' 131 19302 '1H chemical shifts' 867 19302 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-10-09 2013-06-18 update BMRB 'update entry citation' 19302 1 . . 2013-09-16 2013-06-18 original author 'original release' 19302 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19303 '(HhH)2 domain of human FAAP24' 19302 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19302 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23999858 _Citation.Full_citation . _Citation.Title 'Structure analysis of FAAP24 reveals single-stranded DNA-binding activity and domain functions in DNA damage response.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Res.' _Citation.Journal_name_full 'Cell research' _Citation.Journal_volume 23 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1215 _Citation.Page_last 1228 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yucai Wang . . . 19302 1 2 Xiao Han . . . 19302 1 3 Fangming Wu . . . 19302 1 4 Justin Leung . W. . 19302 1 5 Megan Lowery . G. . 19302 1 6 Huong Do . . . 19302 1 7 Junjie Chen . . . 19302 1 8 Chaowei Shi . . . 19302 1 9 Changlin Tian . . . 19302 1 10 Lei Li . . . 19302 1 11 Weimin Gong . . . 19302 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19302 _Assembly.ID 1 _Assembly.Name 'ERCC4 domain of human FAAP24' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ERCC4 domain of human FAAP24' 1 $entity A . yes native no no . . . 19302 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19302 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FAAP24-ERCC4 _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 ; MEKNPPDDTGPVHVPLGHIV ANEKWRGSQLAQEMQGKIKL IFEDGLTPDFYLSNRCCILY VTEADLVAGNGYRKRLVRVR NSNNLKGIVVVEKTRMSEQY FPALQKFTVLDLGMVLLPVA SQMEASCLVIQLVQEQTKEL EHHHHHH ; _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15680.295 _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 yes UNP Q9BTP7 . FAAP24 . . . . . . . . . . . . . . 19302 1 2 no PDB 2M9M . "Solution Structure Of Ercc4 Domain Of Human Faap24" . . . . . 100.00 147 100.00 100.00 1.90e-104 . . . . 19302 1 3 no PDB 4BXO . "Architecture And Dna Recognition Elements Of The Fanconi Anemia Fancm-faap24 Complex" . . . . . 94.56 217 99.28 100.00 1.61e-96 . . . . 19302 1 4 no PDB 4M6W . "Crystal Structure Of The C-terminal Segment Of Fancm In Complex With Faap24" . . . . . 84.35 208 99.19 100.00 4.47e-83 . . . . 19302 1 5 no DBJ BAG54708 . "unnamed protein product [Homo sapiens]" . . . . . 94.56 215 100.00 100.00 2.97e-97 . . . . 19302 1 6 no GB AAH03535 . "Chromosome 19 open reading frame 40 [Homo sapiens]" . . . . . 94.56 215 100.00 100.00 2.97e-97 . . . . 19302 1 7 no GB AAH10170 . "Chromosome 19 open reading frame 40 [Homo sapiens]" . . . . . 94.56 215 100.00 100.00 2.97e-97 . . . . 19302 1 8 no GB AAH20247 . "Chromosome 19 open reading frame 40 [Homo sapiens]" . . . . . 94.56 215 100.00 100.00 2.97e-97 . . . . 19302 1 9 no GB ADQ32151 . "chromosome 19 open reading frame 40 [synthetic construct]" . . . . . 94.56 215 100.00 100.00 2.97e-97 . . . . 19302 1 10 no GB AIC52732 . "C19orf40, partial [synthetic construct]" . . . . . 94.56 215 100.00 100.00 2.97e-97 . . . . 19302 1 11 no REF NP_689479 . "Fanconi anemia core complex-associated protein 24 isoform 1 [Homo sapiens]" . . . . . 94.56 215 100.00 100.00 2.97e-97 . . . . 19302 1 12 no REF XP_003780763 . "PREDICTED: LOW QUALITY PROTEIN: Fanconi anemia-associated protein of 24 kDa [Pongo abelii]" . . . . . 94.56 215 97.12 98.56 5.88e-94 . . . . 19302 1 13 no REF XP_003915337 . "PREDICTED: Fanconi anemia-associated protein of 24 kDa isoform X1 [Papio anubis]" . . . . . 94.56 215 97.12 98.56 8.82e-95 . . . . 19302 1 14 no REF XP_004093270 . "PREDICTED: LOW QUALITY PROTEIN: Fanconi anemia-associated protein of 24 kDa [Nomascus leucogenys]" . . . . . 94.56 215 99.28 100.00 1.04e-96 . . . . 19302 1 15 no REF XP_005259450 . "PREDICTED: Fanconi anemia-associated protein of 24 kDa isoform X1 [Homo sapiens]" . . . . . 57.82 172 100.00 100.00 3.25e-52 . . . . 19302 1 16 no SP Q9BTP7 . "RecName: Full=Fanconi anemia core complex-associated protein 24; AltName: Full=Fanconi anemia-associated protein of 24 kDa" . . . . . 94.56 215 100.00 100.00 2.97e-97 . . . . 19302 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 . 19302 1 2 . GLU . 19302 1 3 . LYS . 19302 1 4 . ASN . 19302 1 5 . PRO . 19302 1 6 . PRO . 19302 1 7 . ASP . 19302 1 8 . ASP . 19302 1 9 . THR . 19302 1 10 . GLY . 19302 1 11 . PRO . 19302 1 12 . VAL . 19302 1 13 . HIS . 19302 1 14 . VAL . 19302 1 15 . PRO . 19302 1 16 . LEU . 19302 1 17 . GLY . 19302 1 18 . HIS . 19302 1 19 . ILE . 19302 1 20 . VAL . 19302 1 21 . ALA . 19302 1 22 . ASN . 19302 1 23 . GLU . 19302 1 24 . LYS . 19302 1 25 . TRP . 19302 1 26 . ARG . 19302 1 27 . GLY . 19302 1 28 . SER . 19302 1 29 . GLN . 19302 1 30 . LEU . 19302 1 31 . ALA . 19302 1 32 . GLN . 19302 1 33 . GLU . 19302 1 34 . MET . 19302 1 35 . GLN . 19302 1 36 . GLY . 19302 1 37 . LYS . 19302 1 38 . ILE . 19302 1 39 . LYS . 19302 1 40 . LEU . 19302 1 41 . ILE . 19302 1 42 . PHE . 19302 1 43 . GLU . 19302 1 44 . ASP . 19302 1 45 . GLY . 19302 1 46 . LEU . 19302 1 47 . THR . 19302 1 48 . PRO . 19302 1 49 . ASP . 19302 1 50 . PHE . 19302 1 51 . TYR . 19302 1 52 . LEU . 19302 1 53 . SER . 19302 1 54 . ASN . 19302 1 55 . ARG . 19302 1 56 . CYS . 19302 1 57 . CYS . 19302 1 58 . ILE . 19302 1 59 . LEU . 19302 1 60 . TYR . 19302 1 61 . VAL . 19302 1 62 . THR . 19302 1 63 . GLU . 19302 1 64 . ALA . 19302 1 65 . ASP . 19302 1 66 . LEU . 19302 1 67 . VAL . 19302 1 68 . ALA . 19302 1 69 . GLY . 19302 1 70 . ASN . 19302 1 71 . GLY . 19302 1 72 . TYR . 19302 1 73 . ARG . 19302 1 74 . LYS . 19302 1 75 . ARG . 19302 1 76 . LEU . 19302 1 77 . VAL . 19302 1 78 . ARG . 19302 1 79 . VAL . 19302 1 80 . ARG . 19302 1 81 . ASN . 19302 1 82 . SER . 19302 1 83 . ASN . 19302 1 84 . ASN . 19302 1 85 . LEU . 19302 1 86 . LYS . 19302 1 87 . GLY . 19302 1 88 . ILE . 19302 1 89 . VAL . 19302 1 90 . VAL . 19302 1 91 . VAL . 19302 1 92 . GLU . 19302 1 93 . LYS . 19302 1 94 . THR . 19302 1 95 . ARG . 19302 1 96 . MET . 19302 1 97 . SER . 19302 1 98 . GLU . 19302 1 99 . GLN . 19302 1 100 . TYR . 19302 1 101 . PHE . 19302 1 102 . PRO . 19302 1 103 . ALA . 19302 1 104 . LEU . 19302 1 105 . GLN . 19302 1 106 . LYS . 19302 1 107 . PHE . 19302 1 108 . THR . 19302 1 109 . VAL . 19302 1 110 . LEU . 19302 1 111 . ASP . 19302 1 112 . LEU . 19302 1 113 . GLY . 19302 1 114 . MET . 19302 1 115 . VAL . 19302 1 116 . LEU . 19302 1 117 . LEU . 19302 1 118 . PRO . 19302 1 119 . VAL . 19302 1 120 . ALA . 19302 1 121 . SER . 19302 1 122 . GLN . 19302 1 123 . MET . 19302 1 124 . GLU . 19302 1 125 . ALA . 19302 1 126 . SER . 19302 1 127 . CYS . 19302 1 128 . LEU . 19302 1 129 . VAL . 19302 1 130 . ILE . 19302 1 131 . GLN . 19302 1 132 . LEU . 19302 1 133 . VAL . 19302 1 134 . GLN . 19302 1 135 . GLU . 19302 1 136 . GLN . 19302 1 137 . THR . 19302 1 138 . LYS . 19302 1 139 . GLU . 19302 1 140 . LEU . 19302 1 141 . GLU . 19302 1 142 . HIS . 19302 1 143 . HIS . 19302 1 144 . HIS . 19302 1 145 . HIS . 19302 1 146 . HIS . 19302 1 147 . HIS . 19302 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 19302 1 . GLU 2 2 19302 1 . LYS 3 3 19302 1 . ASN 4 4 19302 1 . PRO 5 5 19302 1 . PRO 6 6 19302 1 . ASP 7 7 19302 1 . ASP 8 8 19302 1 . THR 9 9 19302 1 . GLY 10 10 19302 1 . PRO 11 11 19302 1 . VAL 12 12 19302 1 . HIS 13 13 19302 1 . VAL 14 14 19302 1 . PRO 15 15 19302 1 . LEU 16 16 19302 1 . GLY 17 17 19302 1 . HIS 18 18 19302 1 . ILE 19 19 19302 1 . VAL 20 20 19302 1 . ALA 21 21 19302 1 . ASN 22 22 19302 1 . GLU 23 23 19302 1 . LYS 24 24 19302 1 . TRP 25 25 19302 1 . ARG 26 26 19302 1 . GLY 27 27 19302 1 . SER 28 28 19302 1 . GLN 29 29 19302 1 . LEU 30 30 19302 1 . ALA 31 31 19302 1 . GLN 32 32 19302 1 . GLU 33 33 19302 1 . MET 34 34 19302 1 . GLN 35 35 19302 1 . GLY 36 36 19302 1 . LYS 37 37 19302 1 . ILE 38 38 19302 1 . LYS 39 39 19302 1 . LEU 40 40 19302 1 . ILE 41 41 19302 1 . PHE 42 42 19302 1 . GLU 43 43 19302 1 . ASP 44 44 19302 1 . GLY 45 45 19302 1 . LEU 46 46 19302 1 . THR 47 47 19302 1 . PRO 48 48 19302 1 . ASP 49 49 19302 1 . PHE 50 50 19302 1 . TYR 51 51 19302 1 . LEU 52 52 19302 1 . SER 53 53 19302 1 . ASN 54 54 19302 1 . ARG 55 55 19302 1 . CYS 56 56 19302 1 . CYS 57 57 19302 1 . ILE 58 58 19302 1 . LEU 59 59 19302 1 . TYR 60 60 19302 1 . VAL 61 61 19302 1 . THR 62 62 19302 1 . GLU 63 63 19302 1 . ALA 64 64 19302 1 . ASP 65 65 19302 1 . LEU 66 66 19302 1 . VAL 67 67 19302 1 . ALA 68 68 19302 1 . GLY 69 69 19302 1 . ASN 70 70 19302 1 . GLY 71 71 19302 1 . TYR 72 72 19302 1 . ARG 73 73 19302 1 . LYS 74 74 19302 1 . ARG 75 75 19302 1 . LEU 76 76 19302 1 . VAL 77 77 19302 1 . ARG 78 78 19302 1 . VAL 79 79 19302 1 . ARG 80 80 19302 1 . ASN 81 81 19302 1 . SER 82 82 19302 1 . ASN 83 83 19302 1 . ASN 84 84 19302 1 . LEU 85 85 19302 1 . LYS 86 86 19302 1 . GLY 87 87 19302 1 . ILE 88 88 19302 1 . VAL 89 89 19302 1 . VAL 90 90 19302 1 . VAL 91 91 19302 1 . GLU 92 92 19302 1 . LYS 93 93 19302 1 . THR 94 94 19302 1 . ARG 95 95 19302 1 . MET 96 96 19302 1 . SER 97 97 19302 1 . GLU 98 98 19302 1 . GLN 99 99 19302 1 . TYR 100 100 19302 1 . PHE 101 101 19302 1 . PRO 102 102 19302 1 . ALA 103 103 19302 1 . LEU 104 104 19302 1 . GLN 105 105 19302 1 . LYS 106 106 19302 1 . PHE 107 107 19302 1 . THR 108 108 19302 1 . VAL 109 109 19302 1 . LEU 110 110 19302 1 . ASP 111 111 19302 1 . LEU 112 112 19302 1 . GLY 113 113 19302 1 . MET 114 114 19302 1 . VAL 115 115 19302 1 . LEU 116 116 19302 1 . LEU 117 117 19302 1 . PRO 118 118 19302 1 . VAL 119 119 19302 1 . ALA 120 120 19302 1 . SER 121 121 19302 1 . GLN 122 122 19302 1 . MET 123 123 19302 1 . GLU 124 124 19302 1 . ALA 125 125 19302 1 . SER 126 126 19302 1 . CYS 127 127 19302 1 . LEU 128 128 19302 1 . VAL 129 129 19302 1 . ILE 130 130 19302 1 . GLN 131 131 19302 1 . LEU 132 132 19302 1 . VAL 133 133 19302 1 . GLN 134 134 19302 1 . GLU 135 135 19302 1 . GLN 136 136 19302 1 . THR 137 137 19302 1 . LYS 138 138 19302 1 . GLU 139 139 19302 1 . LEU 140 140 19302 1 . GLU 141 141 19302 1 . HIS 142 142 19302 1 . HIS 143 143 19302 1 . HIS 144 144 19302 1 . HIS 145 145 19302 1 . HIS 146 146 19302 1 . HIS 147 147 19302 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 19302 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19302 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 19302 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-22b . . . . . . 19302 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19302 _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 FAAP24-ERCC4 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.5 0.8 mM . . . . 19302 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19302 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19302 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 19302 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19302 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19302 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19302 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19302 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FAAP24-ERCC4 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.5 0.8 mM . . . . 19302 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19302 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19302 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 19302 2 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19302 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19302 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19302 _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' 0.35 . M 19302 1 pH 6.0 . pH 19302 1 pressure 1 . atm 19302 1 temperature 298 . K 19302 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19302 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19302 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19302 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19302 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19302 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19302 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19302 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19302 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19302 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19302 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19302 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19302 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19302 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19302 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19302 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19302 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19302 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19302 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 19302 1 2 spectrometer_2 Varian INOVA . 700 . . . 19302 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 19302 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 11 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19302 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19302 _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 . . . . . . . . . 19302 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19302 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19302 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 19302 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19302 1 2 '3D CBCA(CO)NH' . . . 19302 1 3 '3D HNCACB' . . . 19302 1 6 '3D HNCO' . . . 19302 1 7 '3D HBHA(CO)NH' . . . 19302 1 8 '3D H(CCO)NH' . . . 19302 1 9 '3D C(CO)NH' . . . 19302 1 10 '3D HCCH-TOCSY' . . . 19302 1 11 '3D HCCH-COSY' . . . 19302 1 12 '3D 1H-15N NOESY' . . . 19302 1 13 '3D 1H-13C NOESY' . . . 19302 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 1 1 MET HA H 1 4.166 0.000 . . . . . A 1 MET HA . 19302 1 2 . 1 1 1 1 MET C C 13 175.268 0.000 . . . . . A 1 MET C . 19302 1 3 . 1 1 1 1 MET CA C 13 56.383 0.000 . . . . . A 1 MET CA . 19302 1 4 . 1 1 1 1 MET CB C 13 32.900 0.000 . . . . . A 1 MET CB . 19302 1 5 . 1 1 1 1 MET CG C 13 36.022 0.000 . . . . . A 1 MET CG . 19302 1 6 . 1 1 2 2 GLU H H 1 8.313 0.002 . . . . . A 2 GLU H . 19302 1 7 . 1 1 2 2 GLU HA H 1 4.160 0.003 . . . . . A 2 GLU HA . 19302 1 8 . 1 1 2 2 GLU HB2 H 1 1.730 0.000 . . . . . A 2 GLU HB2 . 19302 1 9 . 1 1 2 2 GLU HB3 H 1 1.860 0.000 . . . . . A 2 GLU HB3 . 19302 1 10 . 1 1 2 2 GLU HG2 H 1 2.087 0.001 . . . . . A 2 GLU HG2 . 19302 1 11 . 1 1 2 2 GLU HG3 H 1 2.087 0.001 . . . . . A 2 GLU HG3 . 19302 1 12 . 1 1 2 2 GLU C C 13 175.765 0.000 . . . . . A 2 GLU C . 19302 1 13 . 1 1 2 2 GLU CA C 13 56.353 0.000 . . . . . A 2 GLU CA . 19302 1 14 . 1 1 2 2 GLU CB C 13 30.041 0.000 . . . . . A 2 GLU CB . 19302 1 15 . 1 1 2 2 GLU CG C 13 36.057 0.000 . . . . . A 2 GLU CG . 19302 1 16 . 1 1 2 2 GLU N N 15 123.078 0.043 . . . . . A 2 GLU N . 19302 1 17 . 1 1 3 3 LYS H H 1 8.243 0.002 . . . . . A 3 LYS H . 19302 1 18 . 1 1 3 3 LYS HA H 1 4.013 0.000 . . . . . A 3 LYS HA . 19302 1 19 . 1 1 3 3 LYS HB2 H 1 1.506 0.000 . . . . . A 3 LYS HB2 . 19302 1 20 . 1 1 3 3 LYS HB3 H 1 1.506 0.000 . . . . . A 3 LYS HB3 . 19302 1 21 . 1 1 3 3 LYS C C 13 174.713 0.000 . . . . . A 3 LYS C . 19302 1 22 . 1 1 3 3 LYS CA C 13 56.240 0.000 . . . . . A 3 LYS CA . 19302 1 23 . 1 1 3 3 LYS CB C 13 33.400 0.000 . . . . . A 3 LYS CB . 19302 1 24 . 1 1 3 3 LYS CG C 13 24.713 0.000 . . . . . A 3 LYS CG . 19302 1 25 . 1 1 3 3 LYS CD C 13 29.633 0.000 . . . . . A 3 LYS CD . 19302 1 26 . 1 1 3 3 LYS CE C 13 36.869 0.000 . . . . . A 3 LYS CE . 19302 1 27 . 1 1 3 3 LYS N N 15 124.091 0.045 . . . . . A 3 LYS N . 19302 1 28 . 1 1 4 4 ASN H H 1 8.086 0.003 . . . . . A 4 ASN H . 19302 1 29 . 1 1 4 4 ASN C C 13 172.940 0.000 . . . . . A 4 ASN C . 19302 1 30 . 1 1 4 4 ASN CA C 13 50.404 0.000 . . . . . A 4 ASN CA . 19302 1 31 . 1 1 4 4 ASN CB C 13 41.212 0.000 . . . . . A 4 ASN CB . 19302 1 32 . 1 1 4 4 ASN N N 15 121.184 0.031 . . . . . A 4 ASN N . 19302 1 33 . 1 1 6 6 PRO HA H 1 4.222 0.003 . . . . . A 6 PRO HA . 19302 1 34 . 1 1 6 6 PRO HB2 H 1 1.762 0.000 . . . . . A 6 PRO HB2 . 19302 1 35 . 1 1 6 6 PRO HB3 H 1 2.062 0.000 . . . . . A 6 PRO HB3 . 19302 1 36 . 1 1 6 6 PRO HG2 H 1 1.815 0.000 . . . . . A 6 PRO HG2 . 19302 1 37 . 1 1 6 6 PRO HG3 H 1 1.815 0.000 . . . . . A 6 PRO HG3 . 19302 1 38 . 1 1 6 6 PRO C C 13 176.390 0.000 . . . . . A 6 PRO C . 19302 1 39 . 1 1 6 6 PRO CA C 13 63.267 0.003 . . . . . A 6 PRO CA . 19302 1 40 . 1 1 6 6 PRO CB C 13 32.008 0.000 . . . . . A 6 PRO CB . 19302 1 41 . 1 1 6 6 PRO CG C 13 27.510 0.000 . . . . . A 6 PRO CG . 19302 1 42 . 1 1 6 6 PRO CD C 13 50.325 0.000 . . . . . A 6 PRO CD . 19302 1 43 . 1 1 7 7 ASP H H 1 8.175 0.004 . . . . . A 7 ASP H . 19302 1 44 . 1 1 7 7 ASP HA H 1 4.402 0.008 . . . . . A 7 ASP HA . 19302 1 45 . 1 1 7 7 ASP HB2 H 1 2.458 0.009 . . . . . A 7 ASP HB2 . 19302 1 46 . 1 1 7 7 ASP HB3 H 1 2.458 0.009 . . . . . A 7 ASP HB3 . 19302 1 47 . 1 1 7 7 ASP C C 13 175.911 0.000 . . . . . A 7 ASP C . 19302 1 48 . 1 1 7 7 ASP CA C 13 54.248 0.000 . . . . . A 7 ASP CA . 19302 1 49 . 1 1 7 7 ASP CB C 13 41.210 0.021 . . . . . A 7 ASP CB . 19302 1 50 . 1 1 7 7 ASP N N 15 120.412 0.093 . . . . . A 7 ASP N . 19302 1 51 . 1 1 8 8 ASP H H 1 8.080 0.005 . . . . . A 8 ASP H . 19302 1 52 . 1 1 8 8 ASP HA H 1 4.554 0.021 . . . . . A 8 ASP HA . 19302 1 53 . 1 1 8 8 ASP HB2 H 1 2.511 0.003 . . . . . A 8 ASP HB2 . 19302 1 54 . 1 1 8 8 ASP HB3 H 1 2.511 0.003 . . . . . A 8 ASP HB3 . 19302 1 55 . 1 1 8 8 ASP C C 13 176.334 0.000 . . . . . A 8 ASP C . 19302 1 56 . 1 1 8 8 ASP CA C 13 54.240 0.000 . . . . . A 8 ASP CA . 19302 1 57 . 1 1 8 8 ASP CB C 13 41.354 0.000 . . . . . A 8 ASP CB . 19302 1 58 . 1 1 8 8 ASP N N 15 121.448 0.049 . . . . . A 8 ASP N . 19302 1 59 . 1 1 9 9 THR H H 1 7.982 0.015 . . . . . A 9 THR H . 19302 1 60 . 1 1 9 9 THR HA H 1 4.170 0.013 . . . . . A 9 THR HA . 19302 1 61 . 1 1 9 9 THR HB H 1 4.070 0.006 . . . . . A 9 THR HB . 19302 1 62 . 1 1 9 9 THR HG21 H 1 1.008 0.013 . . . . . A 9 THR HG21 . 19302 1 63 . 1 1 9 9 THR HG22 H 1 1.008 0.013 . . . . . A 9 THR HG22 . 19302 1 64 . 1 1 9 9 THR HG23 H 1 1.008 0.013 . . . . . A 9 THR HG23 . 19302 1 65 . 1 1 9 9 THR C C 13 174.565 0.000 . . . . . A 9 THR C . 19302 1 66 . 1 1 9 9 THR CA C 13 62.018 0.000 . . . . . A 9 THR CA . 19302 1 67 . 1 1 9 9 THR CB C 13 69.655 0.000 . . . . . A 9 THR CB . 19302 1 68 . 1 1 9 9 THR CG2 C 13 21.566 0.073 . . . . . A 9 THR CG2 . 19302 1 69 . 1 1 9 9 THR N N 15 114.376 0.018 . . . . . A 9 THR N . 19302 1 70 . 1 1 10 10 GLY H H 1 8.051 0.004 . . . . . A 10 GLY H . 19302 1 71 . 1 1 10 10 GLY HA2 H 1 3.836 0.004 . . . . . A 10 GLY HA2 . 19302 1 72 . 1 1 10 10 GLY HA3 H 1 3.985 0.003 . . . . . A 10 GLY HA3 . 19302 1 73 . 1 1 10 10 GLY C C 13 171.287 0.000 . . . . . A 10 GLY C . 19302 1 74 . 1 1 10 10 GLY CA C 13 44.627 0.080 . . . . . A 10 GLY CA . 19302 1 75 . 1 1 10 10 GLY N N 15 111.726 0.021 . . . . . A 10 GLY N . 19302 1 76 . 1 1 11 11 PRO HA H 1 4.298 0.003 . . . . . A 11 PRO HA . 19302 1 77 . 1 1 11 11 PRO HB2 H 1 2.002 0.007 . . . . . A 11 PRO HB2 . 19302 1 78 . 1 1 11 11 PRO HB3 H 1 2.002 0.007 . . . . . A 11 PRO HB3 . 19302 1 79 . 1 1 11 11 PRO HG2 H 1 1.545 0.000 . . . . . A 11 PRO HG2 . 19302 1 80 . 1 1 11 11 PRO HG3 H 1 1.719 0.012 . . . . . A 11 PRO HG3 . 19302 1 81 . 1 1 11 11 PRO C C 13 176.417 0.000 . . . . . A 11 PRO C . 19302 1 82 . 1 1 11 11 PRO CA C 13 63.173 0.000 . . . . . A 11 PRO CA . 19302 1 83 . 1 1 11 11 PRO CB C 13 32.419 0.026 . . . . . A 11 PRO CB . 19302 1 84 . 1 1 11 11 PRO CG C 13 27.293 0.000 . . . . . A 11 PRO CG . 19302 1 85 . 1 1 12 12 VAL H H 1 7.667 0.003 . . . . . A 12 VAL H . 19302 1 86 . 1 1 12 12 VAL HA H 1 3.757 0.010 . . . . . A 12 VAL HA . 19302 1 87 . 1 1 12 12 VAL HB H 1 1.174 0.007 . . . . . A 12 VAL HB . 19302 1 88 . 1 1 12 12 VAL HG11 H 1 0.180 0.010 . . . . . A 12 VAL HG11 . 19302 1 89 . 1 1 12 12 VAL HG12 H 1 0.180 0.010 . . . . . A 12 VAL HG12 . 19302 1 90 . 1 1 12 12 VAL HG13 H 1 0.180 0.010 . . . . . A 12 VAL HG13 . 19302 1 91 . 1 1 12 12 VAL HG21 H 1 0.180 0.010 . . . . . A 12 VAL HG21 . 19302 1 92 . 1 1 12 12 VAL HG22 H 1 0.180 0.010 . . . . . A 12 VAL HG22 . 19302 1 93 . 1 1 12 12 VAL HG23 H 1 0.180 0.010 . . . . . A 12 VAL HG23 . 19302 1 94 . 1 1 12 12 VAL C C 13 174.604 0.000 . . . . . A 12 VAL C . 19302 1 95 . 1 1 12 12 VAL CA C 13 61.747 0.000 . . . . . A 12 VAL CA . 19302 1 96 . 1 1 12 12 VAL CB C 13 33.506 0.101 . . . . . A 12 VAL CB . 19302 1 97 . 1 1 12 12 VAL CG1 C 13 20.492 0.073 . . . . . A 12 VAL CG1 . 19302 1 98 . 1 1 12 12 VAL CG2 C 13 20.492 0.073 . . . . . A 12 VAL CG2 . 19302 1 99 . 1 1 12 12 VAL N N 15 120.990 0.026 . . . . . A 12 VAL N . 19302 1 100 . 1 1 13 13 HIS H H 1 8.088 0.003 . . . . . A 13 HIS H . 19302 1 101 . 1 1 13 13 HIS HA H 1 4.387 0.007 . . . . . A 13 HIS HA . 19302 1 102 . 1 1 13 13 HIS HB2 H 1 2.764 0.014 . . . . . A 13 HIS HB2 . 19302 1 103 . 1 1 13 13 HIS HB3 H 1 2.764 0.014 . . . . . A 13 HIS HB3 . 19302 1 104 . 1 1 13 13 HIS C C 13 173.601 0.000 . . . . . A 13 HIS C . 19302 1 105 . 1 1 13 13 HIS CA C 13 55.731 0.000 . . . . . A 13 HIS CA . 19302 1 106 . 1 1 13 13 HIS CB C 13 30.039 0.012 . . . . . A 13 HIS CB . 19302 1 107 . 1 1 13 13 HIS N N 15 123.020 0.026 . . . . . A 13 HIS N . 19302 1 108 . 1 1 14 14 VAL H H 1 8.128 0.009 . . . . . A 14 VAL H . 19302 1 109 . 1 1 14 14 VAL HA H 1 3.941 0.000 . . . . . A 14 VAL HA . 19302 1 110 . 1 1 14 14 VAL HB H 1 1.664 0.020 . . . . . A 14 VAL HB . 19302 1 111 . 1 1 14 14 VAL HG11 H 1 0.348 0.015 . . . . . A 14 VAL HG11 . 19302 1 112 . 1 1 14 14 VAL HG12 H 1 0.348 0.015 . . . . . A 14 VAL HG12 . 19302 1 113 . 1 1 14 14 VAL HG13 H 1 0.348 0.015 . . . . . A 14 VAL HG13 . 19302 1 114 . 1 1 14 14 VAL HG21 H 1 0.562 0.022 . . . . . A 14 VAL HG21 . 19302 1 115 . 1 1 14 14 VAL HG22 H 1 0.562 0.022 . . . . . A 14 VAL HG22 . 19302 1 116 . 1 1 14 14 VAL HG23 H 1 0.562 0.022 . . . . . A 14 VAL HG23 . 19302 1 117 . 1 1 14 14 VAL C C 13 173.591 0.000 . . . . . A 14 VAL C . 19302 1 118 . 1 1 14 14 VAL CA C 13 59.095 0.000 . . . . . A 14 VAL CA . 19302 1 119 . 1 1 14 14 VAL CB C 13 32.976 0.000 . . . . . A 14 VAL CB . 19302 1 120 . 1 1 14 14 VAL CG1 C 13 21.081 0.000 . . . . . A 14 VAL CG1 . 19302 1 121 . 1 1 14 14 VAL CG2 C 13 21.958 0.000 . . . . . A 14 VAL CG2 . 19302 1 122 . 1 1 14 14 VAL N N 15 126.633 0.041 . . . . . A 14 VAL N . 19302 1 123 . 1 1 15 15 PRO HA H 1 4.042 0.008 . . . . . A 15 PRO HA . 19302 1 124 . 1 1 15 15 PRO HB2 H 1 0.911 0.004 . . . . . A 15 PRO HB2 . 19302 1 125 . 1 1 15 15 PRO HB3 H 1 1.910 0.006 . . . . . A 15 PRO HB3 . 19302 1 126 . 1 1 15 15 PRO HG2 H 1 1.394 0.005 . . . . . A 15 PRO HG2 . 19302 1 127 . 1 1 15 15 PRO HG3 H 1 1.394 0.005 . . . . . A 15 PRO HG3 . 19302 1 128 . 1 1 15 15 PRO C C 13 175.581 0.000 . . . . . A 15 PRO C . 19302 1 129 . 1 1 15 15 PRO CA C 13 62.314 0.000 . . . . . A 15 PRO CA . 19302 1 130 . 1 1 15 15 PRO CB C 13 31.352 0.068 . . . . . A 15 PRO CB . 19302 1 131 . 1 1 15 15 PRO CG C 13 27.012 0.000 . . . . . A 15 PRO CG . 19302 1 132 . 1 1 15 15 PRO CD C 13 50.822 0.000 . . . . . A 15 PRO CD . 19302 1 133 . 1 1 16 16 LEU H H 1 8.070 0.005 . . . . . A 16 LEU H . 19302 1 134 . 1 1 16 16 LEU HA H 1 4.073 0.010 . . . . . A 16 LEU HA . 19302 1 135 . 1 1 16 16 LEU HB2 H 1 1.412 0.006 . . . . . A 16 LEU HB2 . 19302 1 136 . 1 1 16 16 LEU HB3 H 1 1.494 0.010 . . . . . A 16 LEU HB3 . 19302 1 137 . 1 1 16 16 LEU HD11 H 1 0.785 0.008 . . . . . A 16 LEU HD11 . 19302 1 138 . 1 1 16 16 LEU HD12 H 1 0.785 0.008 . . . . . A 16 LEU HD12 . 19302 1 139 . 1 1 16 16 LEU HD13 H 1 0.785 0.008 . . . . . A 16 LEU HD13 . 19302 1 140 . 1 1 16 16 LEU HD21 H 1 0.785 0.008 . . . . . A 16 LEU HD21 . 19302 1 141 . 1 1 16 16 LEU HD22 H 1 0.785 0.008 . . . . . A 16 LEU HD22 . 19302 1 142 . 1 1 16 16 LEU HD23 H 1 0.785 0.008 . . . . . A 16 LEU HD23 . 19302 1 143 . 1 1 16 16 LEU C C 13 180.683 0.000 . . . . . A 16 LEU C . 19302 1 144 . 1 1 16 16 LEU CA C 13 56.442 0.000 . . . . . A 16 LEU CA . 19302 1 145 . 1 1 16 16 LEU CB C 13 41.855 0.057 . . . . . A 16 LEU CB . 19302 1 146 . 1 1 16 16 LEU CD1 C 13 24.667 0.000 . . . . . A 16 LEU CD1 . 19302 1 147 . 1 1 16 16 LEU CD2 C 13 24.667 0.000 . . . . . A 16 LEU CD2 . 19302 1 148 . 1 1 16 16 LEU N N 15 122.170 0.049 . . . . . A 16 LEU N . 19302 1 149 . 1 1 17 17 GLY H H 1 9.325 0.005 . . . . . A 17 GLY H . 19302 1 150 . 1 1 17 17 GLY HA2 H 1 3.560 0.004 . . . . . A 17 GLY HA2 . 19302 1 151 . 1 1 17 17 GLY HA3 H 1 3.951 0.009 . . . . . A 17 GLY HA3 . 19302 1 152 . 1 1 17 17 GLY C C 13 173.075 0.000 . . . . . A 17 GLY C . 19302 1 153 . 1 1 17 17 GLY CA C 13 45.757 0.000 . . . . . A 17 GLY CA . 19302 1 154 . 1 1 17 17 GLY N N 15 114.931 0.064 . . . . . A 17 GLY N . 19302 1 155 . 1 1 18 18 HIS H H 1 7.803 0.004 . . . . . A 18 HIS H . 19302 1 156 . 1 1 18 18 HIS HA H 1 5.386 0.011 . . . . . A 18 HIS HA . 19302 1 157 . 1 1 18 18 HIS HB2 H 1 2.635 0.005 . . . . . A 18 HIS HB2 . 19302 1 158 . 1 1 18 18 HIS HB3 H 1 2.825 0.017 . . . . . A 18 HIS HB3 . 19302 1 159 . 1 1 18 18 HIS C C 13 173.186 0.000 . . . . . A 18 HIS C . 19302 1 160 . 1 1 18 18 HIS CA C 13 54.007 0.044 . . . . . A 18 HIS CA . 19302 1 161 . 1 1 18 18 HIS CB C 13 31.691 0.046 . . . . . A 18 HIS CB . 19302 1 162 . 1 1 18 18 HIS N N 15 117.638 0.053 . . . . . A 18 HIS N . 19302 1 163 . 1 1 19 19 ILE H H 1 8.059 0.002 . . . . . A 19 ILE H . 19302 1 164 . 1 1 19 19 ILE HA H 1 4.372 0.006 . . . . . A 19 ILE HA . 19302 1 165 . 1 1 19 19 ILE HB H 1 1.449 0.013 . . . . . A 19 ILE HB . 19302 1 166 . 1 1 19 19 ILE HG12 H 1 0.780 0.009 . . . . . A 19 ILE HG12 . 19302 1 167 . 1 1 19 19 ILE HG13 H 1 1.229 0.011 . . . . . A 19 ILE HG13 . 19302 1 168 . 1 1 19 19 ILE HG21 H 1 0.602 0.012 . . . . . A 19 ILE HG21 . 19302 1 169 . 1 1 19 19 ILE HG22 H 1 0.602 0.012 . . . . . A 19 ILE HG22 . 19302 1 170 . 1 1 19 19 ILE HG23 H 1 0.602 0.012 . . . . . A 19 ILE HG23 . 19302 1 171 . 1 1 19 19 ILE HD11 H 1 0.275 0.013 . . . . . A 19 ILE HD11 . 19302 1 172 . 1 1 19 19 ILE HD12 H 1 0.275 0.013 . . . . . A 19 ILE HD12 . 19302 1 173 . 1 1 19 19 ILE HD13 H 1 0.275 0.013 . . . . . A 19 ILE HD13 . 19302 1 174 . 1 1 19 19 ILE C C 13 174.449 0.000 . . . . . A 19 ILE C . 19302 1 175 . 1 1 19 19 ILE CA C 13 60.368 0.000 . . . . . A 19 ILE CA . 19302 1 176 . 1 1 19 19 ILE CB C 13 42.044 0.026 . . . . . A 19 ILE CB . 19302 1 177 . 1 1 19 19 ILE CG1 C 13 27.314 0.074 . . . . . A 19 ILE CG1 . 19302 1 178 . 1 1 19 19 ILE CG2 C 13 18.017 0.000 . . . . . A 19 ILE CG2 . 19302 1 179 . 1 1 19 19 ILE CD1 C 13 14.551 0.000 . . . . . A 19 ILE CD1 . 19302 1 180 . 1 1 19 19 ILE N N 15 114.669 0.020 . . . . . A 19 ILE N . 19302 1 181 . 1 1 20 20 VAL H H 1 7.525 0.005 . . . . . A 20 VAL H . 19302 1 182 . 1 1 20 20 VAL HA H 1 4.730 0.009 . . . . . A 20 VAL HA . 19302 1 183 . 1 1 20 20 VAL HB H 1 1.643 0.014 . . . . . A 20 VAL HB . 19302 1 184 . 1 1 20 20 VAL HG11 H 1 0.765 0.010 . . . . . A 20 VAL HG11 . 19302 1 185 . 1 1 20 20 VAL HG12 H 1 0.765 0.010 . . . . . A 20 VAL HG12 . 19302 1 186 . 1 1 20 20 VAL HG13 H 1 0.765 0.010 . . . . . A 20 VAL HG13 . 19302 1 187 . 1 1 20 20 VAL HG21 H 1 0.765 0.010 . . . . . A 20 VAL HG21 . 19302 1 188 . 1 1 20 20 VAL HG22 H 1 0.765 0.010 . . . . . A 20 VAL HG22 . 19302 1 189 . 1 1 20 20 VAL HG23 H 1 0.765 0.010 . . . . . A 20 VAL HG23 . 19302 1 190 . 1 1 20 20 VAL C C 13 174.104 0.000 . . . . . A 20 VAL C . 19302 1 191 . 1 1 20 20 VAL CA C 13 61.322 0.000 . . . . . A 20 VAL CA . 19302 1 192 . 1 1 20 20 VAL CB C 13 33.255 0.000 . . . . . A 20 VAL CB . 19302 1 193 . 1 1 20 20 VAL CG1 C 13 21.084 0.000 . . . . . A 20 VAL CG1 . 19302 1 194 . 1 1 20 20 VAL CG2 C 13 22.067 0.000 . . . . . A 20 VAL CG2 . 19302 1 195 . 1 1 20 20 VAL N N 15 124.211 0.036 . . . . . A 20 VAL N . 19302 1 196 . 1 1 21 21 ALA H H 1 9.395 0.006 . . . . . A 21 ALA H . 19302 1 197 . 1 1 21 21 ALA HA H 1 5.095 0.005 . . . . . A 21 ALA HA . 19302 1 198 . 1 1 21 21 ALA HB1 H 1 1.012 0.011 . . . . . A 21 ALA HB1 . 19302 1 199 . 1 1 21 21 ALA HB2 H 1 1.012 0.011 . . . . . A 21 ALA HB2 . 19302 1 200 . 1 1 21 21 ALA HB3 H 1 1.012 0.011 . . . . . A 21 ALA HB3 . 19302 1 201 . 1 1 21 21 ALA C C 13 175.389 0.000 . . . . . A 21 ALA C . 19302 1 202 . 1 1 21 21 ALA CA C 13 49.175 0.019 . . . . . A 21 ALA CA . 19302 1 203 . 1 1 21 21 ALA CB C 13 24.297 0.320 . . . . . A 21 ALA CB . 19302 1 204 . 1 1 21 21 ALA N N 15 131.125 0.026 . . . . . A 21 ALA N . 19302 1 205 . 1 1 22 22 ASN H H 1 8.345 0.008 . . . . . A 22 ASN H . 19302 1 206 . 1 1 22 22 ASN HA H 1 4.805 0.013 . . . . . A 22 ASN HA . 19302 1 207 . 1 1 22 22 ASN HB2 H 1 2.738 0.010 . . . . . A 22 ASN HB2 . 19302 1 208 . 1 1 22 22 ASN HB3 H 1 2.993 0.010 . . . . . A 22 ASN HB3 . 19302 1 209 . 1 1 22 22 ASN C C 13 176.336 0.000 . . . . . A 22 ASN C . 19302 1 210 . 1 1 22 22 ASN CA C 13 54.289 0.111 . . . . . A 22 ASN CA . 19302 1 211 . 1 1 22 22 ASN CB C 13 39.822 0.058 . . . . . A 22 ASN CB . 19302 1 212 . 1 1 22 22 ASN N N 15 120.999 0.124 . . . . . A 22 ASN N . 19302 1 213 . 1 1 23 23 GLU H H 1 7.951 0.006 . . . . . A 23 GLU H . 19302 1 214 . 1 1 23 23 GLU HA H 1 3.927 0.005 . . . . . A 23 GLU HA . 19302 1 215 . 1 1 23 23 GLU HB2 H 1 1.744 0.012 . . . . . A 23 GLU HB2 . 19302 1 216 . 1 1 23 23 GLU HB3 H 1 1.882 0.008 . . . . . A 23 GLU HB3 . 19302 1 217 . 1 1 23 23 GLU HG2 H 1 2.143 0.008 . . . . . A 23 GLU HG2 . 19302 1 218 . 1 1 23 23 GLU HG3 H 1 2.473 0.000 . . . . . A 23 GLU HG3 . 19302 1 219 . 1 1 23 23 GLU C C 13 176.348 0.000 . . . . . A 23 GLU C . 19302 1 220 . 1 1 23 23 GLU CA C 13 59.171 0.000 . . . . . A 23 GLU CA . 19302 1 221 . 1 1 23 23 GLU CB C 13 30.365 0.026 . . . . . A 23 GLU CB . 19302 1 222 . 1 1 23 23 GLU CG C 13 34.610 0.000 . . . . . A 23 GLU CG . 19302 1 223 . 1 1 23 23 GLU N N 15 128.726 0.022 . . . . . A 23 GLU N . 19302 1 224 . 1 1 24 24 LYS H H 1 8.583 0.002 . . . . . A 24 LYS H . 19302 1 225 . 1 1 24 24 LYS HA H 1 3.895 0.007 . . . . . A 24 LYS HA . 19302 1 226 . 1 1 24 24 LYS HB2 H 1 1.204 0.007 . . . . . A 24 LYS HB2 . 19302 1 227 . 1 1 24 24 LYS HB3 H 1 1.461 0.012 . . . . . A 24 LYS HB3 . 19302 1 228 . 1 1 24 24 LYS HG2 H 1 0.016 0.009 . . . . . A 24 LYS HG2 . 19302 1 229 . 1 1 24 24 LYS HG3 H 1 0.685 0.011 . . . . . A 24 LYS HG3 . 19302 1 230 . 1 1 24 24 LYS HD2 H 1 1.243 0.000 . . . . . A 24 LYS HD2 . 19302 1 231 . 1 1 24 24 LYS HD3 H 1 1.182 0.003 . . . . . A 24 LYS HD3 . 19302 1 232 . 1 1 24 24 LYS HE2 H 1 2.294 0.007 . . . . . A 24 LYS HE2 . 19302 1 233 . 1 1 24 24 LYS HE3 H 1 2.427 0.005 . . . . . A 24 LYS HE3 . 19302 1 234 . 1 1 24 24 LYS C C 13 176.782 0.000 . . . . . A 24 LYS C . 19302 1 235 . 1 1 24 24 LYS CA C 13 58.379 0.000 . . . . . A 24 LYS CA . 19302 1 236 . 1 1 24 24 LYS CB C 13 30.846 0.033 . . . . . A 24 LYS CB . 19302 1 237 . 1 1 24 24 LYS CG C 13 23.482 0.040 . . . . . A 24 LYS CG . 19302 1 238 . 1 1 24 24 LYS CD C 13 28.844 0.057 . . . . . A 24 LYS CD . 19302 1 239 . 1 1 24 24 LYS N N 15 119.166 0.036 . . . . . A 24 LYS N . 19302 1 240 . 1 1 25 25 TRP H H 1 8.169 0.003 . . . . . A 25 TRP H . 19302 1 241 . 1 1 25 25 TRP HA H 1 4.326 0.006 . . . . . A 25 TRP HA . 19302 1 242 . 1 1 25 25 TRP HB2 H 1 3.072 0.004 . . . . . A 25 TRP HB2 . 19302 1 243 . 1 1 25 25 TRP HB3 H 1 3.450 0.006 . . . . . A 25 TRP HB3 . 19302 1 244 . 1 1 25 25 TRP HE1 H 1 11.199 0.003 . . . . . A 25 TRP HE1 . 19302 1 245 . 1 1 25 25 TRP C C 13 177.280 0.000 . . . . . A 25 TRP C . 19302 1 246 . 1 1 25 25 TRP CA C 13 56.722 0.000 . . . . . A 25 TRP CA . 19302 1 247 . 1 1 25 25 TRP CB C 13 29.506 0.000 . . . . . A 25 TRP CB . 19302 1 248 . 1 1 25 25 TRP N N 15 118.053 0.038 . . . . . A 25 TRP N . 19302 1 249 . 1 1 25 25 TRP NE1 N 15 129.594 0.032 . . . . . A 25 TRP NE1 . 19302 1 250 . 1 1 26 26 ARG H H 1 7.879 0.004 . . . . . A 26 ARG H . 19302 1 251 . 1 1 26 26 ARG HA H 1 3.302 0.007 . . . . . A 26 ARG HA . 19302 1 252 . 1 1 26 26 ARG HB2 H 1 0.644 0.014 . . . . . A 26 ARG HB2 . 19302 1 253 . 1 1 26 26 ARG HB3 H 1 1.192 0.010 . . . . . A 26 ARG HB3 . 19302 1 254 . 1 1 26 26 ARG HG2 H 1 1.715 0.000 . . . . . A 26 ARG HG2 . 19302 1 255 . 1 1 26 26 ARG HG3 H 1 1.715 0.000 . . . . . A 26 ARG HG3 . 19302 1 256 . 1 1 26 26 ARG C C 13 177.506 0.000 . . . . . A 26 ARG C . 19302 1 257 . 1 1 26 26 ARG CA C 13 59.147 0.000 . . . . . A 26 ARG CA . 19302 1 258 . 1 1 26 26 ARG CB C 13 29.305 0.007 . . . . . A 26 ARG CB . 19302 1 259 . 1 1 26 26 ARG CG C 13 27.133 0.000 . . . . . A 26 ARG CG . 19302 1 260 . 1 1 26 26 ARG N N 15 127.838 0.027 . . . . . A 26 ARG N . 19302 1 261 . 1 1 27 27 GLY H H 1 8.968 0.004 . . . . . A 27 GLY H . 19302 1 262 . 1 1 27 27 GLY HA2 H 1 3.589 0.008 . . . . . A 27 GLY HA2 . 19302 1 263 . 1 1 27 27 GLY HA3 H 1 3.962 0.011 . . . . . A 27 GLY HA3 . 19302 1 264 . 1 1 27 27 GLY C C 13 174.037 0.000 . . . . . A 27 GLY C . 19302 1 265 . 1 1 27 27 GLY CA C 13 45.513 0.053 . . . . . A 27 GLY CA . 19302 1 266 . 1 1 27 27 GLY N N 15 116.455 0.058 . . . . . A 27 GLY N . 19302 1 267 . 1 1 28 28 SER H H 1 7.718 0.003 . . . . . A 28 SER H . 19302 1 268 . 1 1 28 28 SER HA H 1 4.357 0.009 . . . . . A 28 SER HA . 19302 1 269 . 1 1 28 28 SER HB2 H 1 4.683 0.011 . . . . . A 28 SER HB2 . 19302 1 270 . 1 1 28 28 SER HB3 H 1 4.683 0.011 . . . . . A 28 SER HB3 . 19302 1 271 . 1 1 28 28 SER C C 13 174.705 0.000 . . . . . A 28 SER C . 19302 1 272 . 1 1 28 28 SER CA C 13 58.055 0.000 . . . . . A 28 SER CA . 19302 1 273 . 1 1 28 28 SER CB C 13 65.852 0.000 . . . . . A 28 SER CB . 19302 1 274 . 1 1 28 28 SER N N 15 115.316 0.030 . . . . . A 28 SER N . 19302 1 275 . 1 1 29 29 GLN H H 1 8.987 0.002 . . . . . A 29 GLN H . 19302 1 276 . 1 1 29 29 GLN HA H 1 3.940 0.005 . . . . . A 29 GLN HA . 19302 1 277 . 1 1 29 29 GLN HB2 H 1 1.963 0.011 . . . . . A 29 GLN HB2 . 19302 1 278 . 1 1 29 29 GLN HB3 H 1 1.963 0.011 . . . . . A 29 GLN HB3 . 19302 1 279 . 1 1 29 29 GLN HG2 H 1 2.100 0.007 . . . . . A 29 GLN HG2 . 19302 1 280 . 1 1 29 29 GLN HG3 H 1 2.345 0.004 . . . . . A 29 GLN HG3 . 19302 1 281 . 1 1 29 29 GLN C C 13 178.221 0.000 . . . . . A 29 GLN C . 19302 1 282 . 1 1 29 29 GLN CA C 13 59.678 0.000 . . . . . A 29 GLN CA . 19302 1 283 . 1 1 29 29 GLN CB C 13 27.932 0.000 . . . . . A 29 GLN CB . 19302 1 284 . 1 1 29 29 GLN CG C 13 34.116 0.000 . . . . . A 29 GLN CG . 19302 1 285 . 1 1 29 29 GLN N N 15 124.252 0.050 . . . . . A 29 GLN N . 19302 1 286 . 1 1 30 30 LEU H H 1 8.469 0.003 . . . . . A 30 LEU H . 19302 1 287 . 1 1 30 30 LEU HA H 1 3.649 0.016 . . . . . A 30 LEU HA . 19302 1 288 . 1 1 30 30 LEU HB2 H 1 1.419 0.011 . . . . . A 30 LEU HB2 . 19302 1 289 . 1 1 30 30 LEU HB3 H 1 1.571 0.015 . . . . . A 30 LEU HB3 . 19302 1 290 . 1 1 30 30 LEU HG H 1 1.074 0.008 . . . . . A 30 LEU HG . 19302 1 291 . 1 1 30 30 LEU HD11 H 1 -0.185 0.008 . . . . . A 30 LEU HD11 . 19302 1 292 . 1 1 30 30 LEU HD12 H 1 -0.185 0.008 . . . . . A 30 LEU HD12 . 19302 1 293 . 1 1 30 30 LEU HD13 H 1 -0.185 0.008 . . . . . A 30 LEU HD13 . 19302 1 294 . 1 1 30 30 LEU HD21 H 1 0.213 0.009 . . . . . A 30 LEU HD21 . 19302 1 295 . 1 1 30 30 LEU HD22 H 1 0.213 0.009 . . . . . A 30 LEU HD22 . 19302 1 296 . 1 1 30 30 LEU HD23 H 1 0.213 0.009 . . . . . A 30 LEU HD23 . 19302 1 297 . 1 1 30 30 LEU C C 13 177.674 0.000 . . . . . A 30 LEU C . 19302 1 298 . 1 1 30 30 LEU CA C 13 59.240 0.000 . . . . . A 30 LEU CA . 19302 1 299 . 1 1 30 30 LEU CB C 13 42.377 0.037 . . . . . A 30 LEU CB . 19302 1 300 . 1 1 30 30 LEU CG C 13 27.549 0.000 . . . . . A 30 LEU CG . 19302 1 301 . 1 1 30 30 LEU CD1 C 13 25.360 0.241 . . . . . A 30 LEU CD1 . 19302 1 302 . 1 1 30 30 LEU CD2 C 13 24.961 0.308 . . . . . A 30 LEU CD2 . 19302 1 303 . 1 1 30 30 LEU N N 15 119.516 0.026 . . . . . A 30 LEU N . 19302 1 304 . 1 1 31 31 ALA H H 1 7.965 0.007 . . . . . A 31 ALA H . 19302 1 305 . 1 1 31 31 ALA HA H 1 3.787 0.005 . . . . . A 31 ALA HA . 19302 1 306 . 1 1 31 31 ALA HB1 H 1 1.525 0.010 . . . . . A 31 ALA HB1 . 19302 1 307 . 1 1 31 31 ALA HB2 H 1 1.525 0.010 . . . . . A 31 ALA HB2 . 19302 1 308 . 1 1 31 31 ALA HB3 H 1 1.525 0.010 . . . . . A 31 ALA HB3 . 19302 1 309 . 1 1 31 31 ALA C C 13 179.914 0.000 . . . . . A 31 ALA C . 19302 1 310 . 1 1 31 31 ALA CA C 13 55.346 0.000 . . . . . A 31 ALA CA . 19302 1 311 . 1 1 31 31 ALA CB C 13 18.725 0.000 . . . . . A 31 ALA CB . 19302 1 312 . 1 1 31 31 ALA N N 15 118.887 0.033 . . . . . A 31 ALA N . 19302 1 313 . 1 1 32 32 GLN H H 1 8.292 0.005 . . . . . A 32 GLN H . 19302 1 314 . 1 1 32 32 GLN HA H 1 3.874 0.008 . . . . . A 32 GLN HA . 19302 1 315 . 1 1 32 32 GLN HB2 H 1 2.040 0.008 . . . . . A 32 GLN HB2 . 19302 1 316 . 1 1 32 32 GLN HB3 H 1 2.121 0.013 . . . . . A 32 GLN HB3 . 19302 1 317 . 1 1 32 32 GLN HG2 H 1 2.306 0.008 . . . . . A 32 GLN HG2 . 19302 1 318 . 1 1 32 32 GLN HG3 H 1 2.306 0.008 . . . . . A 32 GLN HG3 . 19302 1 319 . 1 1 32 32 GLN C C 13 179.160 0.000 . . . . . A 32 GLN C . 19302 1 320 . 1 1 32 32 GLN CA C 13 59.072 0.000 . . . . . A 32 GLN CA . 19302 1 321 . 1 1 32 32 GLN CB C 13 28.676 0.033 . . . . . A 32 GLN CB . 19302 1 322 . 1 1 32 32 GLN CG C 13 34.192 0.000 . . . . . A 32 GLN CG . 19302 1 323 . 1 1 32 32 GLN N N 15 119.187 0.017 . . . . . A 32 GLN N . 19302 1 324 . 1 1 33 33 GLU H H 1 8.157 0.002 . . . . . A 33 GLU H . 19302 1 325 . 1 1 33 33 GLU HA H 1 3.932 0.008 . . . . . A 33 GLU HA . 19302 1 326 . 1 1 33 33 GLU HB2 H 1 1.915 0.009 . . . . . A 33 GLU HB2 . 19302 1 327 . 1 1 33 33 GLU HB3 H 1 2.006 0.010 . . . . . A 33 GLU HB3 . 19302 1 328 . 1 1 33 33 GLU HG2 H 1 2.144 0.010 . . . . . A 33 GLU HG2 . 19302 1 329 . 1 1 33 33 GLU HG3 H 1 2.342 0.010 . . . . . A 33 GLU HG3 . 19302 1 330 . 1 1 33 33 GLU C C 13 178.487 0.000 . . . . . A 33 GLU C . 19302 1 331 . 1 1 33 33 GLU CA C 13 57.948 0.000 . . . . . A 33 GLU CA . 19302 1 332 . 1 1 33 33 GLU CB C 13 29.221 0.000 . . . . . A 33 GLU CB . 19302 1 333 . 1 1 33 33 GLU CG C 13 36.371 0.036 . . . . . A 33 GLU CG . 19302 1 334 . 1 1 33 33 GLU N N 15 117.845 0.035 . . . . . A 33 GLU N . 19302 1 335 . 1 1 34 34 MET H H 1 7.452 0.002 . . . . . A 34 MET H . 19302 1 336 . 1 1 34 34 MET HA H 1 3.911 0.010 . . . . . A 34 MET HA . 19302 1 337 . 1 1 34 34 MET HB2 H 1 1.666 0.010 . . . . . A 34 MET HB2 . 19302 1 338 . 1 1 34 34 MET HB3 H 1 1.927 0.009 . . . . . A 34 MET HB3 . 19302 1 339 . 1 1 34 34 MET HG2 H 1 2.011 0.011 . . . . . A 34 MET HG2 . 19302 1 340 . 1 1 34 34 MET HG3 H 1 2.575 0.006 . . . . . A 34 MET HG3 . 19302 1 341 . 1 1 34 34 MET C C 13 176.992 0.000 . . . . . A 34 MET C . 19302 1 342 . 1 1 34 34 MET CA C 13 58.485 0.000 . . . . . A 34 MET CA . 19302 1 343 . 1 1 34 34 MET CB C 13 34.045 0.000 . . . . . A 34 MET CB . 19302 1 344 . 1 1 34 34 MET CG C 13 32.294 0.000 . . . . . A 34 MET CG . 19302 1 345 . 1 1 34 34 MET N N 15 116.546 0.023 . . . . . A 34 MET N . 19302 1 346 . 1 1 35 35 GLN H H 1 7.605 0.006 . . . . . A 35 GLN H . 19302 1 347 . 1 1 35 35 GLN HA H 1 4.219 0.003 . . . . . A 35 GLN HA . 19302 1 348 . 1 1 35 35 GLN HB2 H 1 2.088 0.004 . . . . . A 35 GLN HB2 . 19302 1 349 . 1 1 35 35 GLN HB3 H 1 2.020 0.003 . . . . . A 35 GLN HB3 . 19302 1 350 . 1 1 35 35 GLN HG2 H 1 2.386 0.012 . . . . . A 35 GLN HG2 . 19302 1 351 . 1 1 35 35 GLN HG3 H 1 2.386 0.012 . . . . . A 35 GLN HG3 . 19302 1 352 . 1 1 35 35 GLN C C 13 176.544 0.000 . . . . . A 35 GLN C . 19302 1 353 . 1 1 35 35 GLN CA C 13 58.039 0.000 . . . . . A 35 GLN CA . 19302 1 354 . 1 1 35 35 GLN CB C 13 28.381 0.000 . . . . . A 35 GLN CB . 19302 1 355 . 1 1 35 35 GLN CG C 13 34.029 0.019 . . . . . A 35 GLN CG . 19302 1 356 . 1 1 35 35 GLN N N 15 118.259 0.033 . . . . . A 35 GLN N . 19302 1 357 . 1 1 36 36 GLY H H 1 8.178 0.004 . . . . . A 36 GLY H . 19302 1 358 . 1 1 36 36 GLY HA2 H 1 3.706 0.003 . . . . . A 36 GLY HA2 . 19302 1 359 . 1 1 36 36 GLY HA3 H 1 3.901 0.010 . . . . . A 36 GLY HA3 . 19302 1 360 . 1 1 36 36 GLY C C 13 174.291 0.000 . . . . . A 36 GLY C . 19302 1 361 . 1 1 36 36 GLY CA C 13 45.517 0.054 . . . . . A 36 GLY CA . 19302 1 362 . 1 1 36 36 GLY N N 15 110.354 0.022 . . . . . A 36 GLY N . 19302 1 363 . 1 1 37 37 LYS H H 1 7.837 0.003 . . . . . A 37 LYS H . 19302 1 364 . 1 1 37 37 LYS HA H 1 4.254 0.010 . . . . . A 37 LYS HA . 19302 1 365 . 1 1 37 37 LYS HB2 H 1 1.496 0.021 . . . . . A 37 LYS HB2 . 19302 1 366 . 1 1 37 37 LYS HB3 H 1 1.676 0.013 . . . . . A 37 LYS HB3 . 19302 1 367 . 1 1 37 37 LYS HG2 H 1 1.187 0.016 . . . . . A 37 LYS HG2 . 19302 1 368 . 1 1 37 37 LYS HG3 H 1 1.187 0.016 . . . . . A 37 LYS HG3 . 19302 1 369 . 1 1 37 37 LYS HD2 H 1 1.564 0.002 . . . . . A 37 LYS HD2 . 19302 1 370 . 1 1 37 37 LYS HD3 H 1 1.564 0.002 . . . . . A 37 LYS HD3 . 19302 1 371 . 1 1 37 37 LYS HE2 H 1 2.776 0.009 . . . . . A 37 LYS HE2 . 19302 1 372 . 1 1 37 37 LYS HE3 H 1 2.776 0.009 . . . . . A 37 LYS HE3 . 19302 1 373 . 1 1 37 37 LYS C C 13 175.387 0.000 . . . . . A 37 LYS C . 19302 1 374 . 1 1 37 37 LYS CA C 13 57.173 0.000 . . . . . A 37 LYS CA . 19302 1 375 . 1 1 37 37 LYS CB C 13 35.261 0.090 . . . . . A 37 LYS CB . 19302 1 376 . 1 1 37 37 LYS CG C 13 25.313 0.000 . . . . . A 37 LYS CG . 19302 1 377 . 1 1 37 37 LYS CD C 13 29.291 0.136 . . . . . A 37 LYS CD . 19302 1 378 . 1 1 37 37 LYS CE C 13 41.008 0.029 . . . . . A 37 LYS CE . 19302 1 379 . 1 1 37 37 LYS N N 15 119.406 0.025 . . . . . A 37 LYS N . 19302 1 380 . 1 1 38 38 ILE H H 1 7.821 0.003 . . . . . A 38 ILE H . 19302 1 381 . 1 1 38 38 ILE HA H 1 4.138 0.008 . . . . . A 38 ILE HA . 19302 1 382 . 1 1 38 38 ILE HB H 1 1.424 0.009 . . . . . A 38 ILE HB . 19302 1 383 . 1 1 38 38 ILE HG12 H 1 0.850 0.012 . . . . . A 38 ILE HG12 . 19302 1 384 . 1 1 38 38 ILE HG13 H 1 1.061 0.006 . . . . . A 38 ILE HG13 . 19302 1 385 . 1 1 38 38 ILE HG21 H 1 0.502 0.012 . . . . . A 38 ILE HG21 . 19302 1 386 . 1 1 38 38 ILE HG22 H 1 0.502 0.012 . . . . . A 38 ILE HG22 . 19302 1 387 . 1 1 38 38 ILE HG23 H 1 0.502 0.012 . . . . . A 38 ILE HG23 . 19302 1 388 . 1 1 38 38 ILE HD11 H 1 0.546 0.009 . . . . . A 38 ILE HD11 . 19302 1 389 . 1 1 38 38 ILE HD12 H 1 0.546 0.009 . . . . . A 38 ILE HD12 . 19302 1 390 . 1 1 38 38 ILE HD13 H 1 0.546 0.009 . . . . . A 38 ILE HD13 . 19302 1 391 . 1 1 38 38 ILE C C 13 172.937 0.000 . . . . . A 38 ILE C . 19302 1 392 . 1 1 38 38 ILE CA C 13 59.055 0.000 . . . . . A 38 ILE CA . 19302 1 393 . 1 1 38 38 ILE CB C 13 41.631 0.054 . . . . . A 38 ILE CB . 19302 1 394 . 1 1 38 38 ILE CG1 C 13 27.883 0.043 . . . . . A 38 ILE CG1 . 19302 1 395 . 1 1 38 38 ILE CG2 C 13 17.959 0.000 . . . . . A 38 ILE CG2 . 19302 1 396 . 1 1 38 38 ILE CD1 C 13 14.691 0.000 . . . . . A 38 ILE CD1 . 19302 1 397 . 1 1 38 38 ILE N N 15 118.201 0.056 . . . . . A 38 ILE N . 19302 1 398 . 1 1 39 39 LYS H H 1 7.126 0.005 . . . . . A 39 LYS H . 19302 1 399 . 1 1 39 39 LYS HA H 1 4.187 0.007 . . . . . A 39 LYS HA . 19302 1 400 . 1 1 39 39 LYS HB2 H 1 0.737 0.007 . . . . . A 39 LYS HB2 . 19302 1 401 . 1 1 39 39 LYS HB3 H 1 1.143 0.007 . . . . . A 39 LYS HB3 . 19302 1 402 . 1 1 39 39 LYS HG2 H 1 1.006 0.007 . . . . . A 39 LYS HG2 . 19302 1 403 . 1 1 39 39 LYS HG3 H 1 1.006 0.007 . . . . . A 39 LYS HG3 . 19302 1 404 . 1 1 39 39 LYS HD2 H 1 1.163 0.014 . . . . . A 39 LYS HD2 . 19302 1 405 . 1 1 39 39 LYS HD3 H 1 1.301 0.014 . . . . . A 39 LYS HD3 . 19302 1 406 . 1 1 39 39 LYS HE2 H 1 2.651 0.000 . . . . . A 39 LYS HE2 . 19302 1 407 . 1 1 39 39 LYS HE3 H 1 2.651 0.000 . . . . . A 39 LYS HE3 . 19302 1 408 . 1 1 39 39 LYS C C 13 174.751 0.000 . . . . . A 39 LYS C . 19302 1 409 . 1 1 39 39 LYS CA C 13 55.865 0.039 . . . . . A 39 LYS CA . 19302 1 410 . 1 1 39 39 LYS CB C 13 33.007 0.014 . . . . . A 39 LYS CB . 19302 1 411 . 1 1 39 39 LYS CG C 13 25.100 0.000 . . . . . A 39 LYS CG . 19302 1 412 . 1 1 39 39 LYS CD C 13 29.103 0.000 . . . . . A 39 LYS CD . 19302 1 413 . 1 1 39 39 LYS N N 15 122.826 0.030 . . . . . A 39 LYS N . 19302 1 414 . 1 1 40 40 LEU H H 1 8.102 0.006 . . . . . A 40 LEU H . 19302 1 415 . 1 1 40 40 LEU HA H 1 4.667 0.008 . . . . . A 40 LEU HA . 19302 1 416 . 1 1 40 40 LEU HB2 H 1 0.562 0.011 . . . . . A 40 LEU HB2 . 19302 1 417 . 1 1 40 40 LEU HB3 H 1 1.175 0.011 . . . . . A 40 LEU HB3 . 19302 1 418 . 1 1 40 40 LEU HG H 1 1.178 0.009 . . . . . A 40 LEU HG . 19302 1 419 . 1 1 40 40 LEU HD11 H 1 0.442 0.010 . . . . . A 40 LEU HD11 . 19302 1 420 . 1 1 40 40 LEU HD12 H 1 0.442 0.010 . . . . . A 40 LEU HD12 . 19302 1 421 . 1 1 40 40 LEU HD13 H 1 0.442 0.010 . . . . . A 40 LEU HD13 . 19302 1 422 . 1 1 40 40 LEU HD21 H 1 0.614 0.006 . . . . . A 40 LEU HD21 . 19302 1 423 . 1 1 40 40 LEU HD22 H 1 0.614 0.006 . . . . . A 40 LEU HD22 . 19302 1 424 . 1 1 40 40 LEU HD23 H 1 0.614 0.006 . . . . . A 40 LEU HD23 . 19302 1 425 . 1 1 40 40 LEU C C 13 176.473 0.000 . . . . . A 40 LEU C . 19302 1 426 . 1 1 40 40 LEU CA C 13 54.607 0.000 . . . . . A 40 LEU CA . 19302 1 427 . 1 1 40 40 LEU CB C 13 44.102 0.000 . . . . . A 40 LEU CB . 19302 1 428 . 1 1 40 40 LEU CG C 13 28.497 0.115 . . . . . A 40 LEU CG . 19302 1 429 . 1 1 40 40 LEU CD1 C 13 25.486 0.047 . . . . . A 40 LEU CD1 . 19302 1 430 . 1 1 40 40 LEU CD2 C 13 25.639 0.002 . . . . . A 40 LEU CD2 . 19302 1 431 . 1 1 40 40 LEU N N 15 124.298 0.031 . . . . . A 40 LEU N . 19302 1 432 . 1 1 41 41 ILE H H 1 8.208 0.006 . . . . . A 41 ILE H . 19302 1 433 . 1 1 41 41 ILE HA H 1 4.092 0.008 . . . . . A 41 ILE HA . 19302 1 434 . 1 1 41 41 ILE HB H 1 1.616 0.006 . . . . . A 41 ILE HB . 19302 1 435 . 1 1 41 41 ILE HG12 H 1 0.948 0.009 . . . . . A 41 ILE HG12 . 19302 1 436 . 1 1 41 41 ILE HG13 H 1 1.326 0.014 . . . . . A 41 ILE HG13 . 19302 1 437 . 1 1 41 41 ILE HG21 H 1 0.794 0.013 . . . . . A 41 ILE HG21 . 19302 1 438 . 1 1 41 41 ILE HG22 H 1 0.794 0.013 . . . . . A 41 ILE HG22 . 19302 1 439 . 1 1 41 41 ILE HG23 H 1 0.794 0.013 . . . . . A 41 ILE HG23 . 19302 1 440 . 1 1 41 41 ILE HD11 H 1 0.544 0.015 . . . . . A 41 ILE HD11 . 19302 1 441 . 1 1 41 41 ILE HD12 H 1 0.544 0.015 . . . . . A 41 ILE HD12 . 19302 1 442 . 1 1 41 41 ILE HD13 H 1 0.544 0.015 . . . . . A 41 ILE HD13 . 19302 1 443 . 1 1 41 41 ILE C C 13 174.360 0.000 . . . . . A 41 ILE C . 19302 1 444 . 1 1 41 41 ILE CA C 13 60.208 0.000 . . . . . A 41 ILE CA . 19302 1 445 . 1 1 41 41 ILE CB C 13 40.867 0.077 . . . . . A 41 ILE CB . 19302 1 446 . 1 1 41 41 ILE CG1 C 13 27.272 0.110 . . . . . A 41 ILE CG1 . 19302 1 447 . 1 1 41 41 ILE CG2 C 13 17.429 0.000 . . . . . A 41 ILE CG2 . 19302 1 448 . 1 1 41 41 ILE CD1 C 13 13.758 0.000 . . . . . A 41 ILE CD1 . 19302 1 449 . 1 1 41 41 ILE N N 15 124.128 0.059 . . . . . A 41 ILE N . 19302 1 450 . 1 1 42 42 PHE H H 1 8.636 0.003 . . . . . A 42 PHE H . 19302 1 451 . 1 1 42 42 PHE HA H 1 5.501 0.010 . . . . . A 42 PHE HA . 19302 1 452 . 1 1 42 42 PHE HB2 H 1 2.762 0.009 . . . . . A 42 PHE HB2 . 19302 1 453 . 1 1 42 42 PHE HB3 H 1 2.762 0.009 . . . . . A 42 PHE HB3 . 19302 1 454 . 1 1 42 42 PHE HD1 H 1 6.976 0.008 . . . . . A 42 PHE HD1 . 19302 1 455 . 1 1 42 42 PHE HD2 H 1 6.976 0.008 . . . . . A 42 PHE HD2 . 19302 1 456 . 1 1 42 42 PHE HE1 H 1 7.101 0.000 . . . . . A 42 PHE HE1 . 19302 1 457 . 1 1 42 42 PHE HE2 H 1 7.101 0.000 . . . . . A 42 PHE HE2 . 19302 1 458 . 1 1 42 42 PHE C C 13 176.313 0.000 . . . . . A 42 PHE C . 19302 1 459 . 1 1 42 42 PHE CA C 13 57.720 0.000 . . . . . A 42 PHE CA . 19302 1 460 . 1 1 42 42 PHE CB C 13 41.630 0.000 . . . . . A 42 PHE CB . 19302 1 461 . 1 1 42 42 PHE N N 15 125.226 0.032 . . . . . A 42 PHE N . 19302 1 462 . 1 1 43 43 GLU H H 1 8.589 0.002 . . . . . A 43 GLU H . 19302 1 463 . 1 1 43 43 GLU HA H 1 4.643 0.004 . . . . . A 43 GLU HA . 19302 1 464 . 1 1 43 43 GLU HB2 H 1 1.495 0.004 . . . . . A 43 GLU HB2 . 19302 1 465 . 1 1 43 43 GLU HB3 H 1 1.803 0.008 . . . . . A 43 GLU HB3 . 19302 1 466 . 1 1 43 43 GLU HG2 H 1 2.125 0.003 . . . . . A 43 GLU HG2 . 19302 1 467 . 1 1 43 43 GLU HG3 H 1 2.125 0.003 . . . . . A 43 GLU HG3 . 19302 1 468 . 1 1 43 43 GLU C C 13 175.211 0.000 . . . . . A 43 GLU C . 19302 1 469 . 1 1 43 43 GLU CA C 13 55.131 0.000 . . . . . A 43 GLU CA . 19302 1 470 . 1 1 43 43 GLU CB C 13 33.367 0.000 . . . . . A 43 GLU CB . 19302 1 471 . 1 1 43 43 GLU CG C 13 34.888 0.022 . . . . . A 43 GLU CG . 19302 1 472 . 1 1 43 43 GLU N N 15 121.397 0.048 . . . . . A 43 GLU N . 19302 1 473 . 1 1 44 44 ASP H H 1 8.729 0.004 . . . . . A 44 ASP H . 19302 1 474 . 1 1 44 44 ASP HA H 1 4.708 0.007 . . . . . A 44 ASP HA . 19302 1 475 . 1 1 44 44 ASP HB2 H 1 2.442 0.011 . . . . . A 44 ASP HB2 . 19302 1 476 . 1 1 44 44 ASP HB3 H 1 2.502 0.000 . . . . . A 44 ASP HB3 . 19302 1 477 . 1 1 44 44 ASP C C 13 177.308 0.000 . . . . . A 44 ASP C . 19302 1 478 . 1 1 44 44 ASP CA C 13 53.737 0.060 . . . . . A 44 ASP CA . 19302 1 479 . 1 1 44 44 ASP CB C 13 42.365 0.020 . . . . . A 44 ASP CB . 19302 1 480 . 1 1 44 44 ASP N N 15 124.759 0.029 . . . . . A 44 ASP N . 19302 1 481 . 1 1 45 45 GLY H H 1 8.564 0.003 . . . . . A 45 GLY H . 19302 1 482 . 1 1 45 45 GLY HA2 H 1 3.623 0.007 . . . . . A 45 GLY HA2 . 19302 1 483 . 1 1 45 45 GLY HA3 H 1 3.817 0.009 . . . . . A 45 GLY HA3 . 19302 1 484 . 1 1 45 45 GLY C C 13 174.426 0.000 . . . . . A 45 GLY C . 19302 1 485 . 1 1 45 45 GLY CA C 13 46.367 0.032 . . . . . A 45 GLY CA . 19302 1 486 . 1 1 45 45 GLY N N 15 108.414 0.024 . . . . . A 45 GLY N . 19302 1 487 . 1 1 46 46 LEU H H 1 7.130 0.005 . . . . . A 46 LEU H . 19302 1 488 . 1 1 46 46 LEU HA H 1 4.356 0.007 . . . . . A 46 LEU HA . 19302 1 489 . 1 1 46 46 LEU HB2 H 1 1.653 0.019 . . . . . A 46 LEU HB2 . 19302 1 490 . 1 1 46 46 LEU HB3 H 1 1.454 0.010 . . . . . A 46 LEU HB3 . 19302 1 491 . 1 1 46 46 LEU HD11 H 1 0.617 0.009 . . . . . A 46 LEU HD11 . 19302 1 492 . 1 1 46 46 LEU HD12 H 1 0.617 0.009 . . . . . A 46 LEU HD12 . 19302 1 493 . 1 1 46 46 LEU HD13 H 1 0.617 0.009 . . . . . A 46 LEU HD13 . 19302 1 494 . 1 1 46 46 LEU HD21 H 1 0.617 0.009 . . . . . A 46 LEU HD21 . 19302 1 495 . 1 1 46 46 LEU HD22 H 1 0.617 0.009 . . . . . A 46 LEU HD22 . 19302 1 496 . 1 1 46 46 LEU HD23 H 1 0.617 0.009 . . . . . A 46 LEU HD23 . 19302 1 497 . 1 1 46 46 LEU C C 13 177.414 0.000 . . . . . A 46 LEU C . 19302 1 498 . 1 1 46 46 LEU CA C 13 54.189 0.027 . . . . . A 46 LEU CA . 19302 1 499 . 1 1 46 46 LEU CB C 13 43.853 0.000 . . . . . A 46 LEU CB . 19302 1 500 . 1 1 46 46 LEU CD1 C 13 23.068 0.000 . . . . . A 46 LEU CD1 . 19302 1 501 . 1 1 46 46 LEU CD2 C 13 23.068 0.000 . . . . . A 46 LEU CD2 . 19302 1 502 . 1 1 46 46 LEU N N 15 119.025 0.015 . . . . . A 46 LEU N . 19302 1 503 . 1 1 47 47 THR H H 1 9.042 0.007 . . . . . A 47 THR H . 19302 1 504 . 1 1 47 47 THR HA H 1 4.326 0.000 . . . . . A 47 THR HA . 19302 1 505 . 1 1 47 47 THR HB H 1 4.170 0.002 . . . . . A 47 THR HB . 19302 1 506 . 1 1 47 47 THR CA C 13 67.458 0.000 . . . . . A 47 THR CA . 19302 1 507 . 1 1 47 47 THR N N 15 117.926 0.061 . . . . . A 47 THR N . 19302 1 508 . 1 1 48 48 PRO HA H 1 4.163 0.006 . . . . . A 48 PRO HA . 19302 1 509 . 1 1 48 48 PRO HB2 H 1 1.193 0.012 . . . . . A 48 PRO HB2 . 19302 1 510 . 1 1 48 48 PRO HB3 H 1 1.746 0.004 . . . . . A 48 PRO HB3 . 19302 1 511 . 1 1 48 48 PRO CA C 13 62.301 0.000 . . . . . A 48 PRO CA . 19302 1 512 . 1 1 48 48 PRO CB C 13 31.524 0.000 . . . . . A 48 PRO CB . 19302 1 513 . 1 1 48 48 PRO CG C 13 28.406 0.000 . . . . . A 48 PRO CG . 19302 1 514 . 1 1 49 49 ASP H H 1 7.731 0.004 . . . . . A 49 ASP H . 19302 1 515 . 1 1 49 49 ASP HA H 1 4.336 0.009 . . . . . A 49 ASP HA . 19302 1 516 . 1 1 49 49 ASP HB2 H 1 1.988 0.007 . . . . . A 49 ASP HB2 . 19302 1 517 . 1 1 49 49 ASP HB3 H 1 2.176 0.014 . . . . . A 49 ASP HB3 . 19302 1 518 . 1 1 49 49 ASP C C 13 174.082 0.000 . . . . . A 49 ASP C . 19302 1 519 . 1 1 49 49 ASP CA C 13 58.985 0.000 . . . . . A 49 ASP CA . 19302 1 520 . 1 1 49 49 ASP CB C 13 43.773 0.000 . . . . . A 49 ASP CB . 19302 1 521 . 1 1 49 49 ASP N N 15 116.671 0.038 . . . . . A 49 ASP N . 19302 1 522 . 1 1 50 50 PHE H H 1 7.324 0.004 . . . . . A 50 PHE H . 19302 1 523 . 1 1 50 50 PHE HA H 1 5.488 0.011 . . . . . A 50 PHE HA . 19302 1 524 . 1 1 50 50 PHE HB2 H 1 2.225 0.013 . . . . . A 50 PHE HB2 . 19302 1 525 . 1 1 50 50 PHE HB3 H 1 2.678 0.009 . . . . . A 50 PHE HB3 . 19302 1 526 . 1 1 50 50 PHE HD1 H 1 7.049 0.005 . . . . . A 50 PHE HD1 . 19302 1 527 . 1 1 50 50 PHE HD2 H 1 7.049 0.005 . . . . . A 50 PHE HD2 . 19302 1 528 . 1 1 50 50 PHE HE1 H 1 6.950 0.005 . . . . . A 50 PHE HE1 . 19302 1 529 . 1 1 50 50 PHE HE2 H 1 6.950 0.005 . . . . . A 50 PHE HE2 . 19302 1 530 . 1 1 50 50 PHE HZ H 1 6.519 0.002 . . . . . A 50 PHE HZ . 19302 1 531 . 1 1 50 50 PHE C C 13 175.293 0.000 . . . . . A 50 PHE C . 19302 1 532 . 1 1 50 50 PHE CA C 13 55.516 0.000 . . . . . A 50 PHE CA . 19302 1 533 . 1 1 50 50 PHE CB C 13 43.280 0.000 . . . . . A 50 PHE CB . 19302 1 534 . 1 1 50 50 PHE N N 15 109.227 0.024 . . . . . A 50 PHE N . 19302 1 535 . 1 1 51 51 TYR H H 1 9.944 0.004 . . . . . A 51 TYR H . 19302 1 536 . 1 1 51 51 TYR HA H 1 4.717 0.007 . . . . . A 51 TYR HA . 19302 1 537 . 1 1 51 51 TYR HB2 H 1 2.511 0.010 . . . . . A 51 TYR HB2 . 19302 1 538 . 1 1 51 51 TYR HB3 H 1 2.864 0.005 . . . . . A 51 TYR HB3 . 19302 1 539 . 1 1 51 51 TYR C C 13 174.427 0.000 . . . . . A 51 TYR C . 19302 1 540 . 1 1 51 51 TYR CA C 13 59.097 0.000 . . . . . A 51 TYR CA . 19302 1 541 . 1 1 51 51 TYR CB C 13 39.893 0.000 . . . . . A 51 TYR CB . 19302 1 542 . 1 1 51 51 TYR N N 15 122.688 0.030 . . . . . A 51 TYR N . 19302 1 543 . 1 1 52 52 LEU H H 1 8.225 0.007 . . . . . A 52 LEU H . 19302 1 544 . 1 1 52 52 LEU HA H 1 4.231 0.010 . . . . . A 52 LEU HA . 19302 1 545 . 1 1 52 52 LEU HB2 H 1 1.333 0.007 . . . . . A 52 LEU HB2 . 19302 1 546 . 1 1 52 52 LEU HB3 H 1 1.467 0.013 . . . . . A 52 LEU HB3 . 19302 1 547 . 1 1 52 52 LEU HG H 1 2.114 0.000 . . . . . A 52 LEU HG . 19302 1 548 . 1 1 52 52 LEU HD11 H 1 0.526 0.010 . . . . . A 52 LEU HD11 . 19302 1 549 . 1 1 52 52 LEU HD12 H 1 0.526 0.010 . . . . . A 52 LEU HD12 . 19302 1 550 . 1 1 52 52 LEU HD13 H 1 0.526 0.010 . . . . . A 52 LEU HD13 . 19302 1 551 . 1 1 52 52 LEU HD21 H 1 0.616 0.012 . . . . . A 52 LEU HD21 . 19302 1 552 . 1 1 52 52 LEU HD22 H 1 0.616 0.012 . . . . . A 52 LEU HD22 . 19302 1 553 . 1 1 52 52 LEU HD23 H 1 0.616 0.012 . . . . . A 52 LEU HD23 . 19302 1 554 . 1 1 52 52 LEU C C 13 175.771 0.000 . . . . . A 52 LEU C . 19302 1 555 . 1 1 52 52 LEU CA C 13 55.320 0.006 . . . . . A 52 LEU CA . 19302 1 556 . 1 1 52 52 LEU CB C 13 42.874 0.035 . . . . . A 52 LEU CB . 19302 1 557 . 1 1 52 52 LEU N N 15 121.948 0.028 . . . . . A 52 LEU N . 19302 1 558 . 1 1 53 53 SER H H 1 8.487 0.002 . . . . . A 53 SER H . 19302 1 559 . 1 1 53 53 SER HA H 1 4.267 0.007 . . . . . A 53 SER HA . 19302 1 560 . 1 1 53 53 SER HB2 H 1 3.938 0.012 . . . . . A 53 SER HB2 . 19302 1 561 . 1 1 53 53 SER HB3 H 1 4.041 0.006 . . . . . A 53 SER HB3 . 19302 1 562 . 1 1 53 53 SER C C 13 173.134 0.000 . . . . . A 53 SER C . 19302 1 563 . 1 1 53 53 SER CA C 13 56.843 0.000 . . . . . A 53 SER CA . 19302 1 564 . 1 1 53 53 SER CB C 13 64.642 0.000 . . . . . A 53 SER CB . 19302 1 565 . 1 1 53 53 SER N N 15 111.729 0.026 . . . . . A 53 SER N . 19302 1 566 . 1 1 54 54 ASN H H 1 8.682 0.006 . . . . . A 54 ASN H . 19302 1 567 . 1 1 54 54 ASN HA H 1 4.388 0.013 . . . . . A 54 ASN HA . 19302 1 568 . 1 1 54 54 ASN HB2 H 1 2.738 0.005 . . . . . A 54 ASN HB2 . 19302 1 569 . 1 1 54 54 ASN HB3 H 1 2.738 0.005 . . . . . A 54 ASN HB3 . 19302 1 570 . 1 1 54 54 ASN C C 13 175.095 0.000 . . . . . A 54 ASN C . 19302 1 571 . 1 1 54 54 ASN CA C 13 55.905 0.000 . . . . . A 54 ASN CA . 19302 1 572 . 1 1 54 54 ASN CB C 13 37.761 0.000 . . . . . A 54 ASN CB . 19302 1 573 . 1 1 54 54 ASN N N 15 116.204 0.025 . . . . . A 54 ASN N . 19302 1 574 . 1 1 55 55 ARG H H 1 7.783 0.004 . . . . . A 55 ARG H . 19302 1 575 . 1 1 55 55 ARG HA H 1 4.607 0.010 . . . . . A 55 ARG HA . 19302 1 576 . 1 1 55 55 ARG HB2 H 1 1.530 0.011 . . . . . A 55 ARG HB2 . 19302 1 577 . 1 1 55 55 ARG HB3 H 1 1.971 0.005 . . . . . A 55 ARG HB3 . 19302 1 578 . 1 1 55 55 ARG HG2 H 1 1.443 0.001 . . . . . A 55 ARG HG2 . 19302 1 579 . 1 1 55 55 ARG HG3 H 1 1.431 0.004 . . . . . A 55 ARG HG3 . 19302 1 580 . 1 1 55 55 ARG HD2 H 1 2.568 0.000 . . . . . A 55 ARG HD2 . 19302 1 581 . 1 1 55 55 ARG HD3 H 1 3.044 0.004 . . . . . A 55 ARG HD3 . 19302 1 582 . 1 1 55 55 ARG C C 13 175.506 0.000 . . . . . A 55 ARG C . 19302 1 583 . 1 1 55 55 ARG CA C 13 55.586 0.000 . . . . . A 55 ARG CA . 19302 1 584 . 1 1 55 55 ARG CB C 13 31.688 0.000 . . . . . A 55 ARG CB . 19302 1 585 . 1 1 55 55 ARG CG C 13 27.107 0.000 . . . . . A 55 ARG CG . 19302 1 586 . 1 1 55 55 ARG CD C 13 43.465 0.000 . . . . . A 55 ARG CD . 19302 1 587 . 1 1 55 55 ARG N N 15 112.605 0.034 . . . . . A 55 ARG N . 19302 1 588 . 1 1 56 56 CYS H H 1 7.379 0.006 . . . . . A 56 CYS H . 19302 1 589 . 1 1 56 56 CYS HA H 1 5.194 0.009 . . . . . A 56 CYS HA . 19302 1 590 . 1 1 56 56 CYS HB2 H 1 2.527 0.009 . . . . . A 56 CYS HB2 . 19302 1 591 . 1 1 56 56 CYS HB3 H 1 2.612 0.014 . . . . . A 56 CYS HB3 . 19302 1 592 . 1 1 56 56 CYS C C 13 172.619 0.000 . . . . . A 56 CYS C . 19302 1 593 . 1 1 56 56 CYS CA C 13 58.099 0.000 . . . . . A 56 CYS CA . 19302 1 594 . 1 1 56 56 CYS CB C 13 28.338 0.000 . . . . . A 56 CYS CB . 19302 1 595 . 1 1 56 56 CYS N N 15 122.261 0.038 . . . . . A 56 CYS N . 19302 1 596 . 1 1 57 57 CYS H H 1 8.980 0.006 . . . . . A 57 CYS H . 19302 1 597 . 1 1 57 57 CYS HA H 1 5.380 0.009 . . . . . A 57 CYS HA . 19302 1 598 . 1 1 57 57 CYS HB2 H 1 2.033 0.011 . . . . . A 57 CYS HB2 . 19302 1 599 . 1 1 57 57 CYS HB3 H 1 2.273 0.014 . . . . . A 57 CYS HB3 . 19302 1 600 . 1 1 57 57 CYS C C 13 160.640 0.000 . . . . . A 57 CYS C . 19302 1 601 . 1 1 57 57 CYS CA C 13 54.521 0.000 . . . . . A 57 CYS CA . 19302 1 602 . 1 1 57 57 CYS CB C 13 32.506 0.000 . . . . . A 57 CYS CB . 19302 1 603 . 1 1 57 57 CYS N N 15 124.705 0.017 . . . . . A 57 CYS N . 19302 1 604 . 1 1 58 58 ILE H H 1 8.960 0.009 . . . . . A 58 ILE H . 19302 1 605 . 1 1 58 58 ILE HA H 1 5.181 0.008 . . . . . A 58 ILE HA . 19302 1 606 . 1 1 58 58 ILE HB H 1 1.753 0.007 . . . . . A 58 ILE HB . 19302 1 607 . 1 1 58 58 ILE HG12 H 1 0.947 0.017 . . . . . A 58 ILE HG12 . 19302 1 608 . 1 1 58 58 ILE HG13 H 1 1.252 0.016 . . . . . A 58 ILE HG13 . 19302 1 609 . 1 1 58 58 ILE HG21 H 1 0.754 0.012 . . . . . A 58 ILE HG21 . 19302 1 610 . 1 1 58 58 ILE HG22 H 1 0.754 0.012 . . . . . A 58 ILE HG22 . 19302 1 611 . 1 1 58 58 ILE HG23 H 1 0.754 0.012 . . . . . A 58 ILE HG23 . 19302 1 612 . 1 1 58 58 ILE HD11 H 1 0.554 0.008 . . . . . A 58 ILE HD11 . 19302 1 613 . 1 1 58 58 ILE HD12 H 1 0.554 0.008 . . . . . A 58 ILE HD12 . 19302 1 614 . 1 1 58 58 ILE HD13 H 1 0.554 0.008 . . . . . A 58 ILE HD13 . 19302 1 615 . 1 1 58 58 ILE C C 13 175.707 0.000 . . . . . A 58 ILE C . 19302 1 616 . 1 1 58 58 ILE CA C 13 58.535 0.000 . . . . . A 58 ILE CA . 19302 1 617 . 1 1 58 58 ILE CB C 13 41.538 0.096 . . . . . A 58 ILE CB . 19302 1 618 . 1 1 58 58 ILE CG1 C 13 27.308 0.006 . . . . . A 58 ILE CG1 . 19302 1 619 . 1 1 58 58 ILE CG2 C 13 46.913 0.000 . . . . . A 58 ILE CG2 . 19302 1 620 . 1 1 58 58 ILE CD1 C 13 16.802 0.000 . . . . . A 58 ILE CD1 . 19302 1 621 . 1 1 58 58 ILE N N 15 118.279 0.027 . . . . . A 58 ILE N . 19302 1 622 . 1 1 59 59 LEU H H 1 9.078 0.004 . . . . . A 59 LEU H . 19302 1 623 . 1 1 59 59 LEU HA H 1 4.716 0.010 . . . . . A 59 LEU HA . 19302 1 624 . 1 1 59 59 LEU HB2 H 1 1.211 0.008 . . . . . A 59 LEU HB2 . 19302 1 625 . 1 1 59 59 LEU HB3 H 1 1.676 0.008 . . . . . A 59 LEU HB3 . 19302 1 626 . 1 1 59 59 LEU HG H 1 1.448 0.009 . . . . . A 59 LEU HG . 19302 1 627 . 1 1 59 59 LEU HD11 H 1 0.716 0.007 . . . . . A 59 LEU HD11 . 19302 1 628 . 1 1 59 59 LEU HD12 H 1 0.716 0.007 . . . . . A 59 LEU HD12 . 19302 1 629 . 1 1 59 59 LEU HD13 H 1 0.716 0.007 . . . . . A 59 LEU HD13 . 19302 1 630 . 1 1 59 59 LEU HD21 H 1 0.716 0.007 . . . . . A 59 LEU HD21 . 19302 1 631 . 1 1 59 59 LEU HD22 H 1 0.716 0.007 . . . . . A 59 LEU HD22 . 19302 1 632 . 1 1 59 59 LEU HD23 H 1 0.716 0.007 . . . . . A 59 LEU HD23 . 19302 1 633 . 1 1 59 59 LEU C C 13 172.275 0.000 . . . . . A 59 LEU C . 19302 1 634 . 1 1 59 59 LEU CA C 13 53.756 0.000 . . . . . A 59 LEU CA . 19302 1 635 . 1 1 59 59 LEU CB C 13 42.530 0.030 . . . . . A 59 LEU CB . 19302 1 636 . 1 1 59 59 LEU CG C 13 27.815 0.031 . . . . . A 59 LEU CG . 19302 1 637 . 1 1 59 59 LEU CD1 C 13 25.537 0.066 . . . . . A 59 LEU CD1 . 19302 1 638 . 1 1 59 59 LEU CD2 C 13 25.537 0.066 . . . . . A 59 LEU CD2 . 19302 1 639 . 1 1 59 59 LEU N N 15 130.422 0.049 . . . . . A 59 LEU N . 19302 1 640 . 1 1 60 60 TYR H H 1 10.120 0.004 . . . . . A 60 TYR H . 19302 1 641 . 1 1 60 60 TYR HA H 1 5.110 0.009 . . . . . A 60 TYR HA . 19302 1 642 . 1 1 60 60 TYR HB2 H 1 2.114 0.006 . . . . . A 60 TYR HB2 . 19302 1 643 . 1 1 60 60 TYR HB3 H 1 3.124 0.009 . . . . . A 60 TYR HB3 . 19302 1 644 . 1 1 60 60 TYR HD1 H 1 6.479 0.000 . . . . . A 60 TYR HD1 . 19302 1 645 . 1 1 60 60 TYR HD2 H 1 6.479 0.000 . . . . . A 60 TYR HD2 . 19302 1 646 . 1 1 60 60 TYR C C 13 174.911 0.000 . . . . . A 60 TYR C . 19302 1 647 . 1 1 60 60 TYR CA C 13 56.689 0.000 . . . . . A 60 TYR CA . 19302 1 648 . 1 1 60 60 TYR CB C 13 41.643 0.000 . . . . . A 60 TYR CB . 19302 1 649 . 1 1 60 60 TYR N N 15 129.820 0.037 . . . . . A 60 TYR N . 19302 1 650 . 1 1 61 61 VAL H H 1 8.903 0.006 . . . . . A 61 VAL H . 19302 1 651 . 1 1 61 61 VAL HA H 1 4.232 0.009 . . . . . A 61 VAL HA . 19302 1 652 . 1 1 61 61 VAL HB H 1 1.519 0.013 . . . . . A 61 VAL HB . 19302 1 653 . 1 1 61 61 VAL HG11 H 1 0.397 0.010 . . . . . A 61 VAL HG11 . 19302 1 654 . 1 1 61 61 VAL HG12 H 1 0.397 0.010 . . . . . A 61 VAL HG12 . 19302 1 655 . 1 1 61 61 VAL HG13 H 1 0.397 0.010 . . . . . A 61 VAL HG13 . 19302 1 656 . 1 1 61 61 VAL HG21 H 1 0.558 0.009 . . . . . A 61 VAL HG21 . 19302 1 657 . 1 1 61 61 VAL HG22 H 1 0.558 0.009 . . . . . A 61 VAL HG22 . 19302 1 658 . 1 1 61 61 VAL HG23 H 1 0.558 0.009 . . . . . A 61 VAL HG23 . 19302 1 659 . 1 1 61 61 VAL C C 13 174.433 0.000 . . . . . A 61 VAL C . 19302 1 660 . 1 1 61 61 VAL CA C 13 61.641 0.000 . . . . . A 61 VAL CA . 19302 1 661 . 1 1 61 61 VAL CB C 13 33.305 0.000 . . . . . A 61 VAL CB . 19302 1 662 . 1 1 61 61 VAL CG1 C 13 20.931 0.336 . . . . . A 61 VAL CG1 . 19302 1 663 . 1 1 61 61 VAL CG2 C 13 20.380 0.016 . . . . . A 61 VAL CG2 . 19302 1 664 . 1 1 61 61 VAL N N 15 132.504 0.019 . . . . . A 61 VAL N . 19302 1 665 . 1 1 62 62 THR H H 1 8.559 0.003 . . . . . A 62 THR H . 19302 1 666 . 1 1 62 62 THR HA H 1 4.024 0.012 . . . . . A 62 THR HA . 19302 1 667 . 1 1 62 62 THR HB H 1 4.630 0.017 . . . . . A 62 THR HB . 19302 1 668 . 1 1 62 62 THR HG21 H 1 1.354 0.012 . . . . . A 62 THR HG21 . 19302 1 669 . 1 1 62 62 THR HG22 H 1 1.354 0.012 . . . . . A 62 THR HG22 . 19302 1 670 . 1 1 62 62 THR HG23 H 1 1.354 0.012 . . . . . A 62 THR HG23 . 19302 1 671 . 1 1 62 62 THR C C 13 175.118 0.000 . . . . . A 62 THR C . 19302 1 672 . 1 1 62 62 THR CA C 13 60.650 0.000 . . . . . A 62 THR CA . 19302 1 673 . 1 1 62 62 THR CB C 13 72.134 0.000 . . . . . A 62 THR CB . 19302 1 674 . 1 1 62 62 THR CG2 C 13 22.094 0.103 . . . . . A 62 THR CG2 . 19302 1 675 . 1 1 62 62 THR N N 15 116.863 0.032 . . . . . A 62 THR N . 19302 1 676 . 1 1 63 63 GLU H H 1 9.165 0.033 . . . . . A 63 GLU H . 19302 1 677 . 1 1 63 63 GLU HA H 1 3.776 0.005 . . . . . A 63 GLU HA . 19302 1 678 . 1 1 63 63 GLU HB2 H 1 1.962 0.004 . . . . . A 63 GLU HB2 . 19302 1 679 . 1 1 63 63 GLU HB3 H 1 2.038 0.000 . . . . . A 63 GLU HB3 . 19302 1 680 . 1 1 63 63 GLU HG2 H 1 1.971 0.000 . . . . . A 63 GLU HG2 . 19302 1 681 . 1 1 63 63 GLU HG3 H 1 1.971 0.000 . . . . . A 63 GLU HG3 . 19302 1 682 . 1 1 63 63 GLU C C 13 177.194 0.000 . . . . . A 63 GLU C . 19302 1 683 . 1 1 63 63 GLU CA C 13 60.496 0.000 . . . . . A 63 GLU CA . 19302 1 684 . 1 1 63 63 GLU CB C 13 30.709 0.000 . . . . . A 63 GLU CB . 19302 1 685 . 1 1 63 63 GLU CG C 13 37.337 0.000 . . . . . A 63 GLU CG . 19302 1 686 . 1 1 63 63 GLU N N 15 120.767 0.042 . . . . . A 63 GLU N . 19302 1 687 . 1 1 64 64 ALA H H 1 7.919 0.003 . . . . . A 64 ALA H . 19302 1 688 . 1 1 64 64 ALA HA H 1 3.998 0.000 . . . . . A 64 ALA HA . 19302 1 689 . 1 1 64 64 ALA HB1 H 1 1.213 0.015 . . . . . A 64 ALA HB1 . 19302 1 690 . 1 1 64 64 ALA HB2 H 1 1.213 0.015 . . . . . A 64 ALA HB2 . 19302 1 691 . 1 1 64 64 ALA HB3 H 1 1.213 0.015 . . . . . A 64 ALA HB3 . 19302 1 692 . 1 1 64 64 ALA C C 13 180.477 0.000 . . . . . A 64 ALA C . 19302 1 693 . 1 1 64 64 ALA CA C 13 54.912 0.000 . . . . . A 64 ALA CA . 19302 1 694 . 1 1 64 64 ALA CB C 13 17.899 0.000 . . . . . A 64 ALA CB . 19302 1 695 . 1 1 64 64 ALA N N 15 119.167 0.024 . . . . . A 64 ALA N . 19302 1 696 . 1 1 65 65 ASP H H 1 7.851 0.006 . . . . . A 65 ASP H . 19302 1 697 . 1 1 65 65 ASP HA H 1 4.026 0.012 . . . . . A 65 ASP HA . 19302 1 698 . 1 1 65 65 ASP HB2 H 1 2.145 0.016 . . . . . A 65 ASP HB2 . 19302 1 699 . 1 1 65 65 ASP HB3 H 1 3.021 0.006 . . . . . A 65 ASP HB3 . 19302 1 700 . 1 1 65 65 ASP C C 13 177.891 0.000 . . . . . A 65 ASP C . 19302 1 701 . 1 1 65 65 ASP CA C 13 57.412 0.000 . . . . . A 65 ASP CA . 19302 1 702 . 1 1 65 65 ASP CB C 13 41.112 0.000 . . . . . A 65 ASP CB . 19302 1 703 . 1 1 65 65 ASP N N 15 119.995 0.045 . . . . . A 65 ASP N . 19302 1 704 . 1 1 66 66 LEU H H 1 7.210 0.008 . . . . . A 66 LEU H . 19302 1 705 . 1 1 66 66 LEU HA H 1 3.813 0.012 . . . . . A 66 LEU HA . 19302 1 706 . 1 1 66 66 LEU HB2 H 1 0.997 0.011 . . . . . A 66 LEU HB2 . 19302 1 707 . 1 1 66 66 LEU HB3 H 1 1.543 0.004 . . . . . A 66 LEU HB3 . 19302 1 708 . 1 1 66 66 LEU HG H 1 1.310 0.009 . . . . . A 66 LEU HG . 19302 1 709 . 1 1 66 66 LEU HD11 H 1 0.353 0.006 . . . . . A 66 LEU HD11 . 19302 1 710 . 1 1 66 66 LEU HD12 H 1 0.353 0.006 . . . . . A 66 LEU HD12 . 19302 1 711 . 1 1 66 66 LEU HD13 H 1 0.353 0.006 . . . . . A 66 LEU HD13 . 19302 1 712 . 1 1 66 66 LEU HD21 H 1 0.639 0.013 . . . . . A 66 LEU HD21 . 19302 1 713 . 1 1 66 66 LEU HD22 H 1 0.639 0.013 . . . . . A 66 LEU HD22 . 19302 1 714 . 1 1 66 66 LEU HD23 H 1 0.639 0.013 . . . . . A 66 LEU HD23 . 19302 1 715 . 1 1 66 66 LEU C C 13 178.892 0.000 . . . . . A 66 LEU C . 19302 1 716 . 1 1 66 66 LEU CA C 13 56.943 0.000 . . . . . A 66 LEU CA . 19302 1 717 . 1 1 66 66 LEU CB C 13 41.700 0.000 . . . . . A 66 LEU CB . 19302 1 718 . 1 1 66 66 LEU CD1 C 13 23.909 0.074 . . . . . A 66 LEU CD1 . 19302 1 719 . 1 1 66 66 LEU CD2 C 13 26.274 0.029 . . . . . A 66 LEU CD2 . 19302 1 720 . 1 1 66 66 LEU N N 15 118.585 0.011 . . . . . A 66 LEU N . 19302 1 721 . 1 1 67 67 VAL H H 1 7.774 0.004 . . . . . A 67 VAL H . 19302 1 722 . 1 1 67 67 VAL HA H 1 3.088 0.005 . . . . . A 67 VAL HA . 19302 1 723 . 1 1 67 67 VAL HB H 1 1.835 0.013 . . . . . A 67 VAL HB . 19302 1 724 . 1 1 67 67 VAL HG11 H 1 0.758 0.015 . . . . . A 67 VAL HG11 . 19302 1 725 . 1 1 67 67 VAL HG12 H 1 0.758 0.015 . . . . . A 67 VAL HG12 . 19302 1 726 . 1 1 67 67 VAL HG13 H 1 0.758 0.015 . . . . . A 67 VAL HG13 . 19302 1 727 . 1 1 67 67 VAL HG21 H 1 0.842 0.006 . . . . . A 67 VAL HG21 . 19302 1 728 . 1 1 67 67 VAL HG22 H 1 0.842 0.006 . . . . . A 67 VAL HG22 . 19302 1 729 . 1 1 67 67 VAL HG23 H 1 0.842 0.006 . . . . . A 67 VAL HG23 . 19302 1 730 . 1 1 67 67 VAL C C 13 177.430 0.000 . . . . . A 67 VAL C . 19302 1 731 . 1 1 67 67 VAL CA C 13 64.392 0.000 . . . . . A 67 VAL CA . 19302 1 732 . 1 1 67 67 VAL CB C 13 31.974 0.098 . . . . . A 67 VAL CB . 19302 1 733 . 1 1 67 67 VAL CG1 C 13 21.030 0.022 . . . . . A 67 VAL CG1 . 19302 1 734 . 1 1 67 67 VAL CG2 C 13 21.946 0.181 . . . . . A 67 VAL CG2 . 19302 1 735 . 1 1 67 67 VAL N N 15 117.714 0.023 . . . . . A 67 VAL N . 19302 1 736 . 1 1 68 68 ALA H H 1 7.336 0.003 . . . . . A 68 ALA H . 19302 1 737 . 1 1 68 68 ALA HA H 1 3.992 0.005 . . . . . A 68 ALA HA . 19302 1 738 . 1 1 68 68 ALA HB1 H 1 1.313 0.013 . . . . . A 68 ALA HB1 . 19302 1 739 . 1 1 68 68 ALA HB2 H 1 1.313 0.013 . . . . . A 68 ALA HB2 . 19302 1 740 . 1 1 68 68 ALA HB3 H 1 1.313 0.013 . . . . . A 68 ALA HB3 . 19302 1 741 . 1 1 68 68 ALA C C 13 178.127 0.000 . . . . . A 68 ALA C . 19302 1 742 . 1 1 68 68 ALA CA C 13 53.540 0.000 . . . . . A 68 ALA CA . 19302 1 743 . 1 1 68 68 ALA CB C 13 18.849 0.000 . . . . . A 68 ALA CB . 19302 1 744 . 1 1 68 68 ALA N N 15 120.210 0.024 . . . . . A 68 ALA N . 19302 1 745 . 1 1 69 69 GLY H H 1 7.143 0.002 . . . . . A 69 GLY H . 19302 1 746 . 1 1 69 69 GLY HA2 H 1 3.505 0.003 . . . . . A 69 GLY HA2 . 19302 1 747 . 1 1 69 69 GLY HA3 H 1 4.327 0.013 . . . . . A 69 GLY HA3 . 19302 1 748 . 1 1 69 69 GLY C C 13 173.298 0.000 . . . . . A 69 GLY C . 19302 1 749 . 1 1 69 69 GLY CA C 13 45.057 0.000 . . . . . A 69 GLY CA . 19302 1 750 . 1 1 69 69 GLY N N 15 106.149 0.026 . . . . . A 69 GLY N . 19302 1 751 . 1 1 70 70 ASN H H 1 8.316 0.005 . . . . . A 70 ASN H . 19302 1 752 . 1 1 70 70 ASN HA H 1 4.855 0.013 . . . . . A 70 ASN HA . 19302 1 753 . 1 1 70 70 ASN HB2 H 1 2.353 0.000 . . . . . A 70 ASN HB2 . 19302 1 754 . 1 1 70 70 ASN HB3 H 1 2.428 0.008 . . . . . A 70 ASN HB3 . 19302 1 755 . 1 1 70 70 ASN C C 13 177.766 0.000 . . . . . A 70 ASN C . 19302 1 756 . 1 1 70 70 ASN CA C 13 52.611 0.000 . . . . . A 70 ASN CA . 19302 1 757 . 1 1 70 70 ASN CB C 13 38.356 0.000 . . . . . A 70 ASN CB . 19302 1 758 . 1 1 70 70 ASN N N 15 118.879 0.030 . . . . . A 70 ASN N . 19302 1 759 . 1 1 71 71 GLY H H 1 8.812 0.005 . . . . . A 71 GLY H . 19302 1 760 . 1 1 71 71 GLY HA2 H 1 3.530 0.015 . . . . . A 71 GLY HA2 . 19302 1 761 . 1 1 71 71 GLY HA3 H 1 3.759 0.011 . . . . . A 71 GLY HA3 . 19302 1 762 . 1 1 71 71 GLY C C 13 176.515 0.000 . . . . . A 71 GLY C . 19302 1 763 . 1 1 71 71 GLY CA C 13 47.575 0.000 . . . . . A 71 GLY CA . 19302 1 764 . 1 1 71 71 GLY N N 15 114.725 0.030 . . . . . A 71 GLY N . 19302 1 765 . 1 1 72 72 TYR H H 1 8.067 0.005 . . . . . A 72 TYR H . 19302 1 766 . 1 1 72 72 TYR HA H 1 4.182 0.007 . . . . . A 72 TYR HA . 19302 1 767 . 1 1 72 72 TYR HB2 H 1 2.745 0.008 . . . . . A 72 TYR HB2 . 19302 1 768 . 1 1 72 72 TYR HB3 H 1 2.932 0.006 . . . . . A 72 TYR HB3 . 19302 1 769 . 1 1 72 72 TYR HD1 H 1 6.895 0.001 . . . . . A 72 TYR HD1 . 19302 1 770 . 1 1 72 72 TYR HD2 H 1 6.895 0.001 . . . . . A 72 TYR HD2 . 19302 1 771 . 1 1 72 72 TYR C C 13 176.205 0.000 . . . . . A 72 TYR C . 19302 1 772 . 1 1 72 72 TYR CA C 13 59.287 0.000 . . . . . A 72 TYR CA . 19302 1 773 . 1 1 72 72 TYR CB C 13 37.305 0.000 . . . . . A 72 TYR CB . 19302 1 774 . 1 1 72 72 TYR N N 15 118.594 0.055 . . . . . A 72 TYR N . 19302 1 775 . 1 1 73 73 ARG H H 1 6.715 0.007 . . . . . A 73 ARG H . 19302 1 776 . 1 1 73 73 ARG HA H 1 3.261 0.008 . . . . . A 73 ARG HA . 19302 1 777 . 1 1 73 73 ARG HB2 H 1 1.205 0.012 . . . . . A 73 ARG HB2 . 19302 1 778 . 1 1 73 73 ARG HB3 H 1 1.283 0.009 . . . . . A 73 ARG HB3 . 19302 1 779 . 1 1 73 73 ARG C C 13 177.612 0.000 . . . . . A 73 ARG C . 19302 1 780 . 1 1 73 73 ARG CA C 13 59.984 0.000 . . . . . A 73 ARG CA . 19302 1 781 . 1 1 73 73 ARG CB C 13 29.286 0.000 . . . . . A 73 ARG CB . 19302 1 782 . 1 1 73 73 ARG N N 15 119.967 0.019 . . . . . A 73 ARG N . 19302 1 783 . 1 1 74 74 LYS H H 1 7.169 0.004 . . . . . A 74 LYS H . 19302 1 784 . 1 1 74 74 LYS HA H 1 3.728 0.005 . . . . . A 74 LYS HA . 19302 1 785 . 1 1 74 74 LYS HB2 H 1 1.667 0.017 . . . . . A 74 LYS HB2 . 19302 1 786 . 1 1 74 74 LYS HB3 H 1 1.667 0.017 . . . . . A 74 LYS HB3 . 19302 1 787 . 1 1 74 74 LYS HG2 H 1 1.240 0.009 . . . . . A 74 LYS HG2 . 19302 1 788 . 1 1 74 74 LYS HG3 H 1 1.344 0.017 . . . . . A 74 LYS HG3 . 19302 1 789 . 1 1 74 74 LYS HD2 H 1 1.510 0.015 . . . . . A 74 LYS HD2 . 19302 1 790 . 1 1 74 74 LYS HD3 H 1 1.510 0.015 . . . . . A 74 LYS HD3 . 19302 1 791 . 1 1 74 74 LYS HE2 H 1 2.803 0.012 . . . . . A 74 LYS HE2 . 19302 1 792 . 1 1 74 74 LYS HE3 H 1 2.803 0.012 . . . . . A 74 LYS HE3 . 19302 1 793 . 1 1 74 74 LYS C C 13 179.161 0.000 . . . . . A 74 LYS C . 19302 1 794 . 1 1 74 74 LYS CA C 13 59.770 0.000 . . . . . A 74 LYS CA . 19302 1 795 . 1 1 74 74 LYS CB C 13 32.037 0.120 . . . . . A 74 LYS CB . 19302 1 796 . 1 1 74 74 LYS CG C 13 25.330 0.000 . . . . . A 74 LYS CG . 19302 1 797 . 1 1 74 74 LYS CD C 13 29.218 0.056 . . . . . A 74 LYS CD . 19302 1 798 . 1 1 74 74 LYS CE C 13 42.486 0.145 . . . . . A 74 LYS CE . 19302 1 799 . 1 1 74 74 LYS N N 15 116.928 0.043 . . . . . A 74 LYS N . 19302 1 800 . 1 1 75 75 ARG H H 1 7.511 0.005 . . . . . A 75 ARG H . 19302 1 801 . 1 1 75 75 ARG HA H 1 3.753 0.013 . . . . . A 75 ARG HA . 19302 1 802 . 1 1 75 75 ARG HB2 H 1 1.581 0.005 . . . . . A 75 ARG HB2 . 19302 1 803 . 1 1 75 75 ARG HB3 H 1 1.759 0.014 . . . . . A 75 ARG HB3 . 19302 1 804 . 1 1 75 75 ARG HG2 H 1 1.308 0.003 . . . . . A 75 ARG HG2 . 19302 1 805 . 1 1 75 75 ARG HG3 H 1 1.308 0.003 . . . . . A 75 ARG HG3 . 19302 1 806 . 1 1 75 75 ARG C C 13 177.176 0.000 . . . . . A 75 ARG C . 19302 1 807 . 1 1 75 75 ARG CA C 13 59.596 0.000 . . . . . A 75 ARG CA . 19302 1 808 . 1 1 75 75 ARG CB C 13 31.110 0.000 . . . . . A 75 ARG CB . 19302 1 809 . 1 1 75 75 ARG CG C 13 27.968 0.000 . . . . . A 75 ARG CG . 19302 1 810 . 1 1 75 75 ARG N N 15 117.727 0.040 . . . . . A 75 ARG N . 19302 1 811 . 1 1 76 76 LEU H H 1 6.770 0.004 . . . . . A 76 LEU H . 19302 1 812 . 1 1 76 76 LEU HA H 1 3.575 0.011 . . . . . A 76 LEU HA . 19302 1 813 . 1 1 76 76 LEU HB2 H 1 1.565 0.016 . . . . . A 76 LEU HB2 . 19302 1 814 . 1 1 76 76 LEU HB3 H 1 1.835 0.018 . . . . . A 76 LEU HB3 . 19302 1 815 . 1 1 76 76 LEU HG H 1 1.733 0.015 . . . . . A 76 LEU HG . 19302 1 816 . 1 1 76 76 LEU HD11 H 1 0.874 0.013 . . . . . A 76 LEU HD11 . 19302 1 817 . 1 1 76 76 LEU HD12 H 1 0.874 0.013 . . . . . A 76 LEU HD12 . 19302 1 818 . 1 1 76 76 LEU HD13 H 1 0.874 0.013 . . . . . A 76 LEU HD13 . 19302 1 819 . 1 1 76 76 LEU HD21 H 1 0.939 0.005 . . . . . A 76 LEU HD21 . 19302 1 820 . 1 1 76 76 LEU HD22 H 1 0.939 0.005 . . . . . A 76 LEU HD22 . 19302 1 821 . 1 1 76 76 LEU HD23 H 1 0.939 0.005 . . . . . A 76 LEU HD23 . 19302 1 822 . 1 1 76 76 LEU C C 13 178.325 0.000 . . . . . A 76 LEU C . 19302 1 823 . 1 1 76 76 LEU CA C 13 59.496 0.000 . . . . . A 76 LEU CA . 19302 1 824 . 1 1 76 76 LEU CB C 13 41.124 0.000 . . . . . A 76 LEU CB . 19302 1 825 . 1 1 76 76 LEU CD1 C 13 26.582 0.038 . . . . . A 76 LEU CD1 . 19302 1 826 . 1 1 76 76 LEU CD2 C 13 25.110 0.000 . . . . . A 76 LEU CD2 . 19302 1 827 . 1 1 76 76 LEU N N 15 118.105 0.023 . . . . . A 76 LEU N . 19302 1 828 . 1 1 77 77 VAL H H 1 7.800 0.005 . . . . . A 77 VAL H . 19302 1 829 . 1 1 77 77 VAL HA H 1 3.243 0.010 . . . . . A 77 VAL HA . 19302 1 830 . 1 1 77 77 VAL HB H 1 1.899 0.019 . . . . . A 77 VAL HB . 19302 1 831 . 1 1 77 77 VAL HG11 H 1 0.780 0.009 . . . . . A 77 VAL HG11 . 19302 1 832 . 1 1 77 77 VAL HG12 H 1 0.780 0.009 . . . . . A 77 VAL HG12 . 19302 1 833 . 1 1 77 77 VAL HG13 H 1 0.780 0.009 . . . . . A 77 VAL HG13 . 19302 1 834 . 1 1 77 77 VAL HG21 H 1 1.048 0.009 . . . . . A 77 VAL HG21 . 19302 1 835 . 1 1 77 77 VAL HG22 H 1 1.048 0.009 . . . . . A 77 VAL HG22 . 19302 1 836 . 1 1 77 77 VAL HG23 H 1 1.048 0.009 . . . . . A 77 VAL HG23 . 19302 1 837 . 1 1 77 77 VAL C C 13 177.335 0.000 . . . . . A 77 VAL C . 19302 1 838 . 1 1 77 77 VAL CA C 13 66.596 0.000 . . . . . A 77 VAL CA . 19302 1 839 . 1 1 77 77 VAL CB C 13 31.703 0.000 . . . . . A 77 VAL CB . 19302 1 840 . 1 1 77 77 VAL CG1 C 13 21.311 0.057 . . . . . A 77 VAL CG1 . 19302 1 841 . 1 1 77 77 VAL CG2 C 13 23.577 0.039 . . . . . A 77 VAL CG2 . 19302 1 842 . 1 1 77 77 VAL N N 15 117.854 0.051 . . . . . A 77 VAL N . 19302 1 843 . 1 1 78 78 ARG H H 1 7.385 0.007 . . . . . A 78 ARG H . 19302 1 844 . 1 1 78 78 ARG HA H 1 3.872 0.008 . . . . . A 78 ARG HA . 19302 1 845 . 1 1 78 78 ARG HB2 H 1 1.752 0.006 . . . . . A 78 ARG HB2 . 19302 1 846 . 1 1 78 78 ARG HB3 H 1 1.752 0.006 . . . . . A 78 ARG HB3 . 19302 1 847 . 1 1 78 78 ARG HG2 H 1 1.448 0.008 . . . . . A 78 ARG HG2 . 19302 1 848 . 1 1 78 78 ARG HG3 H 1 1.626 0.007 . . . . . A 78 ARG HG3 . 19302 1 849 . 1 1 78 78 ARG HD2 H 1 3.006 0.008 . . . . . A 78 ARG HD2 . 19302 1 850 . 1 1 78 78 ARG HD3 H 1 3.006 0.008 . . . . . A 78 ARG HD3 . 19302 1 851 . 1 1 78 78 ARG HE H 1 2.994 0.000 . . . . . A 78 ARG HE . 19302 1 852 . 1 1 78 78 ARG C C 13 179.484 0.000 . . . . . A 78 ARG C . 19302 1 853 . 1 1 78 78 ARG CA C 13 59.337 0.000 . . . . . A 78 ARG CA . 19302 1 854 . 1 1 78 78 ARG CB C 13 29.921 0.041 . . . . . A 78 ARG CB . 19302 1 855 . 1 1 78 78 ARG CG C 13 27.496 0.132 . . . . . A 78 ARG CG . 19302 1 856 . 1 1 78 78 ARG CD C 13 43.446 0.000 . . . . . A 78 ARG CD . 19302 1 857 . 1 1 78 78 ARG N N 15 118.783 0.029 . . . . . A 78 ARG N . 19302 1 858 . 1 1 79 79 VAL H H 1 7.374 0.008 . . . . . A 79 VAL H . 19302 1 859 . 1 1 79 79 VAL HA H 1 3.434 0.008 . . . . . A 79 VAL HA . 19302 1 860 . 1 1 79 79 VAL HB H 1 1.850 0.008 . . . . . A 79 VAL HB . 19302 1 861 . 1 1 79 79 VAL HG11 H 1 0.531 0.012 . . . . . A 79 VAL HG11 . 19302 1 862 . 1 1 79 79 VAL HG12 H 1 0.531 0.012 . . . . . A 79 VAL HG12 . 19302 1 863 . 1 1 79 79 VAL HG13 H 1 0.531 0.012 . . . . . A 79 VAL HG13 . 19302 1 864 . 1 1 79 79 VAL HG21 H 1 0.803 0.019 . . . . . A 79 VAL HG21 . 19302 1 865 . 1 1 79 79 VAL HG22 H 1 0.803 0.019 . . . . . A 79 VAL HG22 . 19302 1 866 . 1 1 79 79 VAL HG23 H 1 0.803 0.019 . . . . . A 79 VAL HG23 . 19302 1 867 . 1 1 79 79 VAL C C 13 177.902 0.000 . . . . . A 79 VAL C . 19302 1 868 . 1 1 79 79 VAL CA C 13 66.771 0.000 . . . . . A 79 VAL CA . 19302 1 869 . 1 1 79 79 VAL CB C 13 31.327 0.000 . . . . . A 79 VAL CB . 19302 1 870 . 1 1 79 79 VAL CG1 C 13 21.078 0.008 . . . . . A 79 VAL CG1 . 19302 1 871 . 1 1 79 79 VAL CG2 C 13 24.000 0.028 . . . . . A 79 VAL CG2 . 19302 1 872 . 1 1 79 79 VAL N N 15 118.747 0.036 . . . . . A 79 VAL N . 19302 1 873 . 1 1 80 80 ARG H H 1 8.268 0.003 . . . . . A 80 ARG H . 19302 1 874 . 1 1 80 80 ARG HA H 1 3.960 0.007 . . . . . A 80 ARG HA . 19302 1 875 . 1 1 80 80 ARG HB2 H 1 1.891 0.000 . . . . . A 80 ARG HB2 . 19302 1 876 . 1 1 80 80 ARG HB3 H 1 1.773 0.012 . . . . . A 80 ARG HB3 . 19302 1 877 . 1 1 80 80 ARG HG2 H 1 1.522 0.014 . . . . . A 80 ARG HG2 . 19302 1 878 . 1 1 80 80 ARG HG3 H 1 1.522 0.014 . . . . . A 80 ARG HG3 . 19302 1 879 . 1 1 80 80 ARG HD2 H 1 2.802 0.002 . . . . . A 80 ARG HD2 . 19302 1 880 . 1 1 80 80 ARG HD3 H 1 2.802 0.002 . . . . . A 80 ARG HD3 . 19302 1 881 . 1 1 80 80 ARG C C 13 177.893 0.000 . . . . . A 80 ARG C . 19302 1 882 . 1 1 80 80 ARG CA C 13 58.256 0.000 . . . . . A 80 ARG CA . 19302 1 883 . 1 1 80 80 ARG CB C 13 29.141 0.002 . . . . . A 80 ARG CB . 19302 1 884 . 1 1 80 80 ARG CG C 13 27.147 0.065 . . . . . A 80 ARG CG . 19302 1 885 . 1 1 80 80 ARG CD C 13 42.993 0.029 . . . . . A 80 ARG CD . 19302 1 886 . 1 1 80 80 ARG N N 15 122.868 0.028 . . . . . A 80 ARG N . 19302 1 887 . 1 1 81 81 ASN H H 1 7.878 0.005 . . . . . A 81 ASN H . 19302 1 888 . 1 1 81 81 ASN HA H 1 4.528 0.007 . . . . . A 81 ASN HA . 19302 1 889 . 1 1 81 81 ASN HB2 H 1 2.636 0.003 . . . . . A 81 ASN HB2 . 19302 1 890 . 1 1 81 81 ASN HB3 H 1 2.831 0.004 . . . . . A 81 ASN HB3 . 19302 1 891 . 1 1 81 81 ASN C C 13 175.329 0.000 . . . . . A 81 ASN C . 19302 1 892 . 1 1 81 81 ASN CA C 13 53.553 0.000 . . . . . A 81 ASN CA . 19302 1 893 . 1 1 81 81 ASN CB C 13 38.358 0.000 . . . . . A 81 ASN CB . 19302 1 894 . 1 1 81 81 ASN N N 15 115.469 0.080 . . . . . A 81 ASN N . 19302 1 895 . 1 1 82 82 SER H H 1 7.528 0.008 . . . . . A 82 SER H . 19302 1 896 . 1 1 82 82 SER HA H 1 4.350 0.005 . . . . . A 82 SER HA . 19302 1 897 . 1 1 82 82 SER HB2 H 1 3.861 0.008 . . . . . A 82 SER HB2 . 19302 1 898 . 1 1 82 82 SER HB3 H 1 4.016 0.005 . . . . . A 82 SER HB3 . 19302 1 899 . 1 1 82 82 SER C C 13 175.243 0.000 . . . . . A 82 SER C . 19302 1 900 . 1 1 82 82 SER CA C 13 59.045 0.000 . . . . . A 82 SER CA . 19302 1 901 . 1 1 82 82 SER CB C 13 63.929 0.000 . . . . . A 82 SER CB . 19302 1 902 . 1 1 82 82 SER N N 15 117.226 0.033 . . . . . A 82 SER N . 19302 1 903 . 1 1 83 83 ASN H H 1 8.348 0.005 . . . . . A 83 ASN H . 19302 1 904 . 1 1 83 83 ASN HA H 1 4.402 0.013 . . . . . A 83 ASN HA . 19302 1 905 . 1 1 83 83 ASN HB2 H 1 2.656 0.005 . . . . . A 83 ASN HB2 . 19302 1 906 . 1 1 83 83 ASN HB3 H 1 2.656 0.005 . . . . . A 83 ASN HB3 . 19302 1 907 . 1 1 83 83 ASN C C 13 175.260 0.000 . . . . . A 83 ASN C . 19302 1 908 . 1 1 83 83 ASN CA C 13 54.583 0.000 . . . . . A 83 ASN CA . 19302 1 909 . 1 1 83 83 ASN CB C 13 38.909 0.000 . . . . . A 83 ASN CB . 19302 1 910 . 1 1 83 83 ASN N N 15 121.059 0.058 . . . . . A 83 ASN N . 19302 1 911 . 1 1 84 84 ASN H H 1 8.466 0.002 . . . . . A 84 ASN H . 19302 1 912 . 1 1 84 84 ASN HA H 1 4.422 0.007 . . . . . A 84 ASN HA . 19302 1 913 . 1 1 84 84 ASN HB2 H 1 2.654 0.004 . . . . . A 84 ASN HB2 . 19302 1 914 . 1 1 84 84 ASN HB3 H 1 2.654 0.004 . . . . . A 84 ASN HB3 . 19302 1 915 . 1 1 84 84 ASN C C 13 173.609 0.000 . . . . . A 84 ASN C . 19302 1 916 . 1 1 84 84 ASN CA C 13 53.753 0.000 . . . . . A 84 ASN CA . 19302 1 917 . 1 1 84 84 ASN CB C 13 38.551 0.000 . . . . . A 84 ASN CB . 19302 1 918 . 1 1 84 84 ASN N N 15 117.070 0.032 . . . . . A 84 ASN N . 19302 1 919 . 1 1 85 85 LEU H H 1 7.453 0.007 . . . . . A 85 LEU H . 19302 1 920 . 1 1 85 85 LEU HA H 1 4.518 0.011 . . . . . A 85 LEU HA . 19302 1 921 . 1 1 85 85 LEU HB2 H 1 1.316 0.008 . . . . . A 85 LEU HB2 . 19302 1 922 . 1 1 85 85 LEU HB3 H 1 1.316 0.008 . . . . . A 85 LEU HB3 . 19302 1 923 . 1 1 85 85 LEU HG H 1 1.357 0.000 . . . . . A 85 LEU HG . 19302 1 924 . 1 1 85 85 LEU HD11 H 1 0.763 0.013 . . . . . A 85 LEU HD11 . 19302 1 925 . 1 1 85 85 LEU HD12 H 1 0.763 0.013 . . . . . A 85 LEU HD12 . 19302 1 926 . 1 1 85 85 LEU HD13 H 1 0.763 0.013 . . . . . A 85 LEU HD13 . 19302 1 927 . 1 1 85 85 LEU HD21 H 1 0.763 0.013 . . . . . A 85 LEU HD21 . 19302 1 928 . 1 1 85 85 LEU HD22 H 1 0.763 0.013 . . . . . A 85 LEU HD22 . 19302 1 929 . 1 1 85 85 LEU HD23 H 1 0.763 0.013 . . . . . A 85 LEU HD23 . 19302 1 930 . 1 1 85 85 LEU C C 13 175.397 0.000 . . . . . A 85 LEU C . 19302 1 931 . 1 1 85 85 LEU CA C 13 54.094 0.000 . . . . . A 85 LEU CA . 19302 1 932 . 1 1 85 85 LEU CB C 13 44.902 0.000 . . . . . A 85 LEU CB . 19302 1 933 . 1 1 85 85 LEU CD1 C 13 24.511 0.008 . . . . . A 85 LEU CD1 . 19302 1 934 . 1 1 85 85 LEU CD2 C 13 24.942 0.000 . . . . . A 85 LEU CD2 . 19302 1 935 . 1 1 85 85 LEU N N 15 119.048 0.037 . . . . . A 85 LEU N . 19302 1 936 . 1 1 86 86 LYS H H 1 8.242 0.006 . . . . . A 86 LYS H . 19302 1 937 . 1 1 86 86 LYS HA H 1 4.397 0.007 . . . . . A 86 LYS HA . 19302 1 938 . 1 1 86 86 LYS HB2 H 1 1.711 0.003 . . . . . A 86 LYS HB2 . 19302 1 939 . 1 1 86 86 LYS HB3 H 1 1.660 0.004 . . . . . A 86 LYS HB3 . 19302 1 940 . 1 1 86 86 LYS HG2 H 1 1.119 0.016 . . . . . A 86 LYS HG2 . 19302 1 941 . 1 1 86 86 LYS HG3 H 1 1.328 0.007 . . . . . A 86 LYS HG3 . 19302 1 942 . 1 1 86 86 LYS HD2 H 1 1.554 0.009 . . . . . A 86 LYS HD2 . 19302 1 943 . 1 1 86 86 LYS HD3 H 1 1.554 0.009 . . . . . A 86 LYS HD3 . 19302 1 944 . 1 1 86 86 LYS C C 13 175.209 0.000 . . . . . A 86 LYS C . 19302 1 945 . 1 1 86 86 LYS CA C 13 54.934 0.000 . . . . . A 86 LYS CA . 19302 1 946 . 1 1 86 86 LYS CB C 13 33.581 0.004 . . . . . A 86 LYS CB . 19302 1 947 . 1 1 86 86 LYS CG C 13 25.031 0.000 . . . . . A 86 LYS CG . 19302 1 948 . 1 1 86 86 LYS CD C 13 29.355 0.000 . . . . . A 86 LYS CD . 19302 1 949 . 1 1 86 86 LYS CE C 13 42.107 0.000 . . . . . A 86 LYS CE . 19302 1 950 . 1 1 86 86 LYS N N 15 125.959 0.041 . . . . . A 86 LYS N . 19302 1 951 . 1 1 87 87 GLY H H 1 8.840 0.003 . . . . . A 87 GLY H . 19302 1 952 . 1 1 87 87 GLY HA2 H 1 2.921 0.008 . . . . . A 87 GLY HA2 . 19302 1 953 . 1 1 87 87 GLY HA3 H 1 4.730 0.007 . . . . . A 87 GLY HA3 . 19302 1 954 . 1 1 87 87 GLY C C 13 171.780 0.000 . . . . . A 87 GLY C . 19302 1 955 . 1 1 87 87 GLY CA C 13 44.894 0.000 . . . . . A 87 GLY CA . 19302 1 956 . 1 1 87 87 GLY N N 15 113.359 0.028 . . . . . A 87 GLY N . 19302 1 957 . 1 1 88 88 ILE H H 1 8.411 0.004 . . . . . A 88 ILE H . 19302 1 958 . 1 1 88 88 ILE HA H 1 4.077 0.005 . . . . . A 88 ILE HA . 19302 1 959 . 1 1 88 88 ILE HB H 1 1.534 0.008 . . . . . A 88 ILE HB . 19302 1 960 . 1 1 88 88 ILE HD11 H 1 0.494 0.008 . . . . . A 88 ILE HD11 . 19302 1 961 . 1 1 88 88 ILE HD12 H 1 0.494 0.008 . . . . . A 88 ILE HD12 . 19302 1 962 . 1 1 88 88 ILE HD13 H 1 0.494 0.008 . . . . . A 88 ILE HD13 . 19302 1 963 . 1 1 88 88 ILE C C 13 174.254 0.000 . . . . . A 88 ILE C . 19302 1 964 . 1 1 88 88 ILE CA C 13 60.766 0.000 . . . . . A 88 ILE CA . 19302 1 965 . 1 1 88 88 ILE CB C 13 40.483 0.000 . . . . . A 88 ILE CB . 19302 1 966 . 1 1 88 88 ILE CG1 C 13 17.033 0.000 . . . . . A 88 ILE CG1 . 19302 1 967 . 1 1 88 88 ILE CG2 C 13 27.467 0.000 . . . . . A 88 ILE CG2 . 19302 1 968 . 1 1 88 88 ILE CD1 C 13 14.085 0.000 . . . . . A 88 ILE CD1 . 19302 1 969 . 1 1 88 88 ILE N N 15 125.743 0.021 . . . . . A 88 ILE N . 19302 1 970 . 1 1 89 89 VAL H H 1 8.859 0.004 . . . . . A 89 VAL H . 19302 1 971 . 1 1 89 89 VAL HA H 1 4.762 0.008 . . . . . A 89 VAL HA . 19302 1 972 . 1 1 89 89 VAL HB H 1 2.021 0.009 . . . . . A 89 VAL HB . 19302 1 973 . 1 1 89 89 VAL HG11 H 1 0.520 0.005 . . . . . A 89 VAL HG11 . 19302 1 974 . 1 1 89 89 VAL HG12 H 1 0.520 0.005 . . . . . A 89 VAL HG12 . 19302 1 975 . 1 1 89 89 VAL HG13 H 1 0.520 0.005 . . . . . A 89 VAL HG13 . 19302 1 976 . 1 1 89 89 VAL HG21 H 1 0.768 0.009 . . . . . A 89 VAL HG21 . 19302 1 977 . 1 1 89 89 VAL HG22 H 1 0.768 0.009 . . . . . A 89 VAL HG22 . 19302 1 978 . 1 1 89 89 VAL HG23 H 1 0.768 0.009 . . . . . A 89 VAL HG23 . 19302 1 979 . 1 1 89 89 VAL C C 13 174.205 0.000 . . . . . A 89 VAL C . 19302 1 980 . 1 1 89 89 VAL CA C 13 61.224 0.000 . . . . . A 89 VAL CA . 19302 1 981 . 1 1 89 89 VAL CB C 13 31.924 0.000 . . . . . A 89 VAL CB . 19302 1 982 . 1 1 89 89 VAL CG1 C 13 21.030 0.000 . . . . . A 89 VAL CG1 . 19302 1 983 . 1 1 89 89 VAL CG2 C 13 23.126 0.000 . . . . . A 89 VAL CG2 . 19302 1 984 . 1 1 89 89 VAL N N 15 129.556 0.045 . . . . . A 89 VAL N . 19302 1 985 . 1 1 90 90 VAL H H 1 8.747 0.011 . . . . . A 90 VAL H . 19302 1 986 . 1 1 90 90 VAL HA H 1 4.804 0.010 . . . . . A 90 VAL HA . 19302 1 987 . 1 1 90 90 VAL HB H 1 1.487 0.005 . . . . . A 90 VAL HB . 19302 1 988 . 1 1 90 90 VAL HG11 H 1 0.654 0.001 . . . . . A 90 VAL HG11 . 19302 1 989 . 1 1 90 90 VAL HG12 H 1 0.654 0.001 . . . . . A 90 VAL HG12 . 19302 1 990 . 1 1 90 90 VAL HG13 H 1 0.654 0.001 . . . . . A 90 VAL HG13 . 19302 1 991 . 1 1 90 90 VAL HG21 H 1 0.654 0.001 . . . . . A 90 VAL HG21 . 19302 1 992 . 1 1 90 90 VAL HG22 H 1 0.654 0.001 . . . . . A 90 VAL HG22 . 19302 1 993 . 1 1 90 90 VAL HG23 H 1 0.654 0.001 . . . . . A 90 VAL HG23 . 19302 1 994 . 1 1 90 90 VAL C C 13 173.650 0.000 . . . . . A 90 VAL C . 19302 1 995 . 1 1 90 90 VAL CA C 13 60.478 0.000 . . . . . A 90 VAL CA . 19302 1 996 . 1 1 90 90 VAL CB C 13 33.666 0.000 . . . . . A 90 VAL CB . 19302 1 997 . 1 1 90 90 VAL CG1 C 13 22.406 0.000 . . . . . A 90 VAL CG1 . 19302 1 998 . 1 1 90 90 VAL CG2 C 13 22.406 0.000 . . . . . A 90 VAL CG2 . 19302 1 999 . 1 1 90 90 VAL N N 15 130.678 0.024 . . . . . A 90 VAL N . 19302 1 1000 . 1 1 91 91 VAL H H 1 7.758 0.006 . . . . . A 91 VAL H . 19302 1 1001 . 1 1 91 91 VAL HA H 1 5.019 0.011 . . . . . A 91 VAL HA . 19302 1 1002 . 1 1 91 91 VAL HB H 1 1.371 0.010 . . . . . A 91 VAL HB . 19302 1 1003 . 1 1 91 91 VAL HG11 H 1 0.645 0.002 . . . . . A 91 VAL HG11 . 19302 1 1004 . 1 1 91 91 VAL HG12 H 1 0.645 0.002 . . . . . A 91 VAL HG12 . 19302 1 1005 . 1 1 91 91 VAL HG13 H 1 0.645 0.002 . . . . . A 91 VAL HG13 . 19302 1 1006 . 1 1 91 91 VAL HG21 H 1 0.588 0.005 . . . . . A 91 VAL HG21 . 19302 1 1007 . 1 1 91 91 VAL HG22 H 1 0.588 0.005 . . . . . A 91 VAL HG22 . 19302 1 1008 . 1 1 91 91 VAL HG23 H 1 0.588 0.005 . . . . . A 91 VAL HG23 . 19302 1 1009 . 1 1 91 91 VAL C C 13 173.241 0.000 . . . . . A 91 VAL C . 19302 1 1010 . 1 1 91 91 VAL CA C 13 56.898 0.000 . . . . . A 91 VAL CA . 19302 1 1011 . 1 1 91 91 VAL CB C 13 35.349 0.000 . . . . . A 91 VAL CB . 19302 1 1012 . 1 1 91 91 VAL CG1 C 13 20.611 0.000 . . . . . A 91 VAL CG1 . 19302 1 1013 . 1 1 91 91 VAL CG2 C 13 22.622 0.000 . . . . . A 91 VAL CG2 . 19302 1 1014 . 1 1 91 91 VAL N N 15 122.793 0.022 . . . . . A 91 VAL N . 19302 1 1015 . 1 1 92 92 GLU H H 1 7.501 0.005 . . . . . A 92 GLU H . 19302 1 1016 . 1 1 92 92 GLU HA H 1 4.208 0.014 . . . . . A 92 GLU HA . 19302 1 1017 . 1 1 92 92 GLU HB2 H 1 1.472 0.008 . . . . . A 92 GLU HB2 . 19302 1 1018 . 1 1 92 92 GLU HB3 H 1 1.896 0.015 . . . . . A 92 GLU HB3 . 19302 1 1019 . 1 1 92 92 GLU HG2 H 1 2.109 0.007 . . . . . A 92 GLU HG2 . 19302 1 1020 . 1 1 92 92 GLU HG3 H 1 2.109 0.007 . . . . . A 92 GLU HG3 . 19302 1 1021 . 1 1 92 92 GLU C C 13 173.665 0.000 . . . . . A 92 GLU C . 19302 1 1022 . 1 1 92 92 GLU CA C 13 55.740 0.000 . . . . . A 92 GLU CA . 19302 1 1023 . 1 1 92 92 GLU CB C 13 29.433 0.000 . . . . . A 92 GLU CB . 19302 1 1024 . 1 1 92 92 GLU CG C 13 36.099 0.026 . . . . . A 92 GLU CG . 19302 1 1025 . 1 1 92 92 GLU N N 15 125.925 0.025 . . . . . A 92 GLU N . 19302 1 1026 . 1 1 93 93 LYS H H 1 9.015 0.004 . . . . . A 93 LYS H . 19302 1 1027 . 1 1 93 93 LYS HA H 1 4.033 0.012 . . . . . A 93 LYS HA . 19302 1 1028 . 1 1 93 93 LYS HB2 H 1 0.849 0.016 . . . . . A 93 LYS HB2 . 19302 1 1029 . 1 1 93 93 LYS HB3 H 1 1.531 0.017 . . . . . A 93 LYS HB3 . 19302 1 1030 . 1 1 93 93 LYS HG2 H 1 2.141 0.010 . . . . . A 93 LYS HG2 . 19302 1 1031 . 1 1 93 93 LYS HG3 H 1 2.141 0.010 . . . . . A 93 LYS HG3 . 19302 1 1032 . 1 1 93 93 LYS HD2 H 1 0.464 0.011 . . . . . A 93 LYS HD2 . 19302 1 1033 . 1 1 93 93 LYS HD3 H 1 0.859 0.008 . . . . . A 93 LYS HD3 . 19302 1 1034 . 1 1 93 93 LYS C C 13 173.582 0.000 . . . . . A 93 LYS C . 19302 1 1035 . 1 1 93 93 LYS CA C 13 55.460 0.000 . . . . . A 93 LYS CA . 19302 1 1036 . 1 1 93 93 LYS CB C 13 33.506 0.018 . . . . . A 93 LYS CB . 19302 1 1037 . 1 1 93 93 LYS CG C 13 25.328 0.000 . . . . . A 93 LYS CG . 19302 1 1038 . 1 1 93 93 LYS CD C 13 29.046 0.054 . . . . . A 93 LYS CD . 19302 1 1039 . 1 1 93 93 LYS N N 15 132.415 0.030 . . . . . A 93 LYS N . 19302 1 1040 . 1 1 94 94 THR H H 1 8.288 0.007 . . . . . A 94 THR H . 19302 1 1041 . 1 1 94 94 THR HA H 1 4.600 0.010 . . . . . A 94 THR HA . 19302 1 1042 . 1 1 94 94 THR C C 13 174.933 0.000 . . . . . A 94 THR C . 19302 1 1043 . 1 1 94 94 THR CA C 13 58.678 0.000 . . . . . A 94 THR CA . 19302 1 1044 . 1 1 94 94 THR CB C 13 72.561 0.000 . . . . . A 94 THR CB . 19302 1 1045 . 1 1 94 94 THR CG2 C 13 21.348 0.000 . . . . . A 94 THR CG2 . 19302 1 1046 . 1 1 94 94 THR N N 15 118.315 0.046 . . . . . A 94 THR N . 19302 1 1047 . 1 1 95 95 ARG H H 1 8.719 0.003 . . . . . A 95 ARG H . 19302 1 1048 . 1 1 95 95 ARG HA H 1 3.960 0.006 . . . . . A 95 ARG HA . 19302 1 1049 . 1 1 95 95 ARG HB2 H 1 1.720 0.013 . . . . . A 95 ARG HB2 . 19302 1 1050 . 1 1 95 95 ARG HB3 H 1 1.720 0.013 . . . . . A 95 ARG HB3 . 19302 1 1051 . 1 1 95 95 ARG HG2 H 1 1.559 0.005 . . . . . A 95 ARG HG2 . 19302 1 1052 . 1 1 95 95 ARG HG3 H 1 1.559 0.005 . . . . . A 95 ARG HG3 . 19302 1 1053 . 1 1 95 95 ARG HD2 H 1 3.076 0.005 . . . . . A 95 ARG HD2 . 19302 1 1054 . 1 1 95 95 ARG HD3 H 1 3.076 0.005 . . . . . A 95 ARG HD3 . 19302 1 1055 . 1 1 95 95 ARG C C 13 178.617 0.000 . . . . . A 95 ARG C . 19302 1 1056 . 1 1 95 95 ARG CA C 13 59.240 0.000 . . . . . A 95 ARG CA . 19302 1 1057 . 1 1 95 95 ARG CB C 13 29.480 0.000 . . . . . A 95 ARG CB . 19302 1 1058 . 1 1 95 95 ARG CG C 13 27.180 0.000 . . . . . A 95 ARG CG . 19302 1 1059 . 1 1 95 95 ARG CD C 13 43.115 0.000 . . . . . A 95 ARG CD . 19302 1 1060 . 1 1 95 95 ARG N N 15 119.684 0.035 . . . . . A 95 ARG N . 19302 1 1061 . 1 1 96 96 MET H H 1 7.895 0.005 . . . . . A 96 MET H . 19302 1 1062 . 1 1 96 96 MET HA H 1 4.332 0.009 . . . . . A 96 MET HA . 19302 1 1063 . 1 1 96 96 MET HB2 H 1 1.866 0.001 . . . . . A 96 MET HB2 . 19302 1 1064 . 1 1 96 96 MET HB3 H 1 1.866 0.001 . . . . . A 96 MET HB3 . 19302 1 1065 . 1 1 96 96 MET HG2 H 1 2.350 0.009 . . . . . A 96 MET HG2 . 19302 1 1066 . 1 1 96 96 MET HG3 H 1 2.460 0.005 . . . . . A 96 MET HG3 . 19302 1 1067 . 1 1 96 96 MET C C 13 177.312 0.000 . . . . . A 96 MET C . 19302 1 1068 . 1 1 96 96 MET CA C 13 56.615 0.000 . . . . . A 96 MET CA . 19302 1 1069 . 1 1 96 96 MET CB C 13 32.723 0.000 . . . . . A 96 MET CB . 19302 1 1070 . 1 1 96 96 MET CG C 13 30.068 0.000 . . . . . A 96 MET CG . 19302 1 1071 . 1 1 96 96 MET N N 15 115.656 0.051 . . . . . A 96 MET N . 19302 1 1072 . 1 1 97 97 SER H H 1 8.108 0.004 . . . . . A 97 SER H . 19302 1 1073 . 1 1 97 97 SER HA H 1 4.648 0.015 . . . . . A 97 SER HA . 19302 1 1074 . 1 1 97 97 SER HB2 H 1 3.712 0.002 . . . . . A 97 SER HB2 . 19302 1 1075 . 1 1 97 97 SER HB3 H 1 4.470 0.005 . . . . . A 97 SER HB3 . 19302 1 1076 . 1 1 97 97 SER C C 13 176.743 0.000 . . . . . A 97 SER C . 19302 1 1077 . 1 1 97 97 SER CA C 13 58.484 0.000 . . . . . A 97 SER CA . 19302 1 1078 . 1 1 97 97 SER CB C 13 65.103 0.000 . . . . . A 97 SER CB . 19302 1 1079 . 1 1 97 97 SER N N 15 114.024 0.022 . . . . . A 97 SER N . 19302 1 1080 . 1 1 98 98 GLU H H 1 8.229 0.007 . . . . . A 98 GLU H . 19302 1 1081 . 1 1 98 98 GLU HA H 1 3.689 0.005 . . . . . A 98 GLU HA . 19302 1 1082 . 1 1 98 98 GLU HB2 H 1 1.829 0.004 . . . . . A 98 GLU HB2 . 19302 1 1083 . 1 1 98 98 GLU HB3 H 1 1.916 0.000 . . . . . A 98 GLU HB3 . 19302 1 1084 . 1 1 98 98 GLU HG2 H 1 1.919 0.013 . . . . . A 98 GLU HG2 . 19302 1 1085 . 1 1 98 98 GLU HG3 H 1 2.130 0.006 . . . . . A 98 GLU HG3 . 19302 1 1086 . 1 1 98 98 GLU C C 13 178.994 0.000 . . . . . A 98 GLU C . 19302 1 1087 . 1 1 98 98 GLU CA C 13 60.482 0.000 . . . . . A 98 GLU CA . 19302 1 1088 . 1 1 98 98 GLU CB C 13 29.096 0.000 . . . . . A 98 GLU CB . 19302 1 1089 . 1 1 98 98 GLU CG C 13 35.507 0.000 . . . . . A 98 GLU CG . 19302 1 1090 . 1 1 98 98 GLU N N 15 124.701 0.050 . . . . . A 98 GLU N . 19302 1 1091 . 1 1 99 99 GLN H H 1 8.464 0.007 . . . . . A 99 GLN H . 19302 1 1092 . 1 1 99 99 GLN HA H 1 4.008 0.006 . . . . . A 99 GLN HA . 19302 1 1093 . 1 1 99 99 GLN HB2 H 1 1.554 0.015 . . . . . A 99 GLN HB2 . 19302 1 1094 . 1 1 99 99 GLN HB3 H 1 1.750 0.007 . . . . . A 99 GLN HB3 . 19302 1 1095 . 1 1 99 99 GLN HG2 H 1 0.918 0.004 . . . . . A 99 GLN HG2 . 19302 1 1096 . 1 1 99 99 GLN HG3 H 1 1.608 0.011 . . . . . A 99 GLN HG3 . 19302 1 1097 . 1 1 99 99 GLN C C 13 176.402 0.000 . . . . . A 99 GLN C . 19302 1 1098 . 1 1 99 99 GLN CA C 13 58.127 0.000 . . . . . A 99 GLN CA . 19302 1 1099 . 1 1 99 99 GLN CB C 13 28.135 0.000 . . . . . A 99 GLN CB . 19302 1 1100 . 1 1 99 99 GLN CG C 13 32.432 0.000 . . . . . A 99 GLN CG . 19302 1 1101 . 1 1 99 99 GLN N N 15 117.637 0.026 . . . . . A 99 GLN N . 19302 1 1102 . 1 1 100 100 TYR H H 1 7.688 0.002 . . . . . A 100 TYR H . 19302 1 1103 . 1 1 100 100 TYR HA H 1 4.512 0.011 . . . . . A 100 TYR HA . 19302 1 1104 . 1 1 100 100 TYR HB2 H 1 2.731 0.007 . . . . . A 100 TYR HB2 . 19302 1 1105 . 1 1 100 100 TYR HB3 H 1 3.228 0.007 . . . . . A 100 TYR HB3 . 19302 1 1106 . 1 1 100 100 TYR HD1 H 1 7.012 0.004 . . . . . A 100 TYR HD1 . 19302 1 1107 . 1 1 100 100 TYR HD2 H 1 7.012 0.004 . . . . . A 100 TYR HD2 . 19302 1 1108 . 1 1 100 100 TYR C C 13 176.132 0.000 . . . . . A 100 TYR C . 19302 1 1109 . 1 1 100 100 TYR CA C 13 58.029 0.000 . . . . . A 100 TYR CA . 19302 1 1110 . 1 1 100 100 TYR CB C 13 39.600 0.000 . . . . . A 100 TYR CB . 19302 1 1111 . 1 1 100 100 TYR N N 15 118.538 0.044 . . . . . A 100 TYR N . 19302 1 1112 . 1 1 101 101 PHE H H 1 7.916 0.007 . . . . . A 101 PHE H . 19302 1 1113 . 1 1 101 101 PHE HA H 1 4.098 0.006 . . . . . A 101 PHE HA . 19302 1 1114 . 1 1 101 101 PHE HB2 H 1 3.085 0.010 . . . . . A 101 PHE HB2 . 19302 1 1115 . 1 1 101 101 PHE HB3 H 1 3.235 0.007 . . . . . A 101 PHE HB3 . 19302 1 1116 . 1 1 101 101 PHE HD1 H 1 6.978 0.004 . . . . . A 101 PHE HD1 . 19302 1 1117 . 1 1 101 101 PHE HD2 H 1 6.978 0.004 . . . . . A 101 PHE HD2 . 19302 1 1118 . 1 1 101 101 PHE C C 13 173.115 0.000 . . . . . A 101 PHE C . 19302 1 1119 . 1 1 101 101 PHE CA C 13 63.389 0.000 . . . . . A 101 PHE CA . 19302 1 1120 . 1 1 101 101 PHE CB C 13 37.438 0.072 . . . . . A 101 PHE CB . 19302 1 1121 . 1 1 101 101 PHE N N 15 121.713 0.024 . . . . . A 101 PHE N . 19302 1 1122 . 1 1 102 102 PRO HA H 1 4.078 0.007 . . . . . A 102 PRO HA . 19302 1 1123 . 1 1 102 102 PRO HB2 H 1 1.574 0.000 . . . . . A 102 PRO HB2 . 19302 1 1124 . 1 1 102 102 PRO HB3 H 1 1.574 0.000 . . . . . A 102 PRO HB3 . 19302 1 1125 . 1 1 102 102 PRO C C 13 179.371 0.000 . . . . . A 102 PRO C . 19302 1 1126 . 1 1 102 102 PRO CA C 13 67.173 0.000 . . . . . A 102 PRO CA . 19302 1 1127 . 1 1 102 102 PRO CB C 13 30.497 0.000 . . . . . A 102 PRO CB . 19302 1 1128 . 1 1 103 103 ALA H H 1 8.030 0.005 . . . . . A 103 ALA H . 19302 1 1129 . 1 1 103 103 ALA HA H 1 4.043 0.004 . . . . . A 103 ALA HA . 19302 1 1130 . 1 1 103 103 ALA HB1 H 1 1.336 0.004 . . . . . A 103 ALA HB1 . 19302 1 1131 . 1 1 103 103 ALA HB2 H 1 1.336 0.004 . . . . . A 103 ALA HB2 . 19302 1 1132 . 1 1 103 103 ALA HB3 H 1 1.336 0.004 . . . . . A 103 ALA HB3 . 19302 1 1133 . 1 1 103 103 ALA C C 13 180.693 0.000 . . . . . A 103 ALA C . 19302 1 1134 . 1 1 103 103 ALA CA C 13 54.322 0.000 . . . . . A 103 ALA CA . 19302 1 1135 . 1 1 103 103 ALA CB C 13 18.420 0.000 . . . . . A 103 ALA CB . 19302 1 1136 . 1 1 103 103 ALA N N 15 119.259 0.039 . . . . . A 103 ALA N . 19302 1 1137 . 1 1 104 104 LEU H H 1 7.161 0.004 . . . . . A 104 LEU H . 19302 1 1138 . 1 1 104 104 LEU HA H 1 4.164 0.008 . . . . . A 104 LEU HA . 19302 1 1139 . 1 1 104 104 LEU HB2 H 1 1.383 0.013 . . . . . A 104 LEU HB2 . 19302 1 1140 . 1 1 104 104 LEU HB3 H 1 1.591 0.013 . . . . . A 104 LEU HB3 . 19302 1 1141 . 1 1 104 104 LEU HD11 H 1 0.381 0.017 . . . . . A 104 LEU HD11 . 19302 1 1142 . 1 1 104 104 LEU HD12 H 1 0.381 0.017 . . . . . A 104 LEU HD12 . 19302 1 1143 . 1 1 104 104 LEU HD13 H 1 0.381 0.017 . . . . . A 104 LEU HD13 . 19302 1 1144 . 1 1 104 104 LEU HD21 H 1 0.561 0.004 . . . . . A 104 LEU HD21 . 19302 1 1145 . 1 1 104 104 LEU HD22 H 1 0.561 0.004 . . . . . A 104 LEU HD22 . 19302 1 1146 . 1 1 104 104 LEU HD23 H 1 0.561 0.004 . . . . . A 104 LEU HD23 . 19302 1 1147 . 1 1 104 104 LEU C C 13 179.295 0.000 . . . . . A 104 LEU C . 19302 1 1148 . 1 1 104 104 LEU CA C 13 58.235 0.000 . . . . . A 104 LEU CA . 19302 1 1149 . 1 1 104 104 LEU CB C 13 41.154 0.000 . . . . . A 104 LEU CB . 19302 1 1150 . 1 1 104 104 LEU CD1 C 13 25.223 0.000 . . . . . A 104 LEU CD1 . 19302 1 1151 . 1 1 104 104 LEU CD2 C 13 27.556 0.000 . . . . . A 104 LEU CD2 . 19302 1 1152 . 1 1 104 104 LEU N N 15 121.207 0.023 . . . . . A 104 LEU N . 19302 1 1153 . 1 1 105 105 GLN H H 1 8.836 0.005 . . . . . A 105 GLN H . 19302 1 1154 . 1 1 105 105 GLN HA H 1 3.451 0.007 . . . . . A 105 GLN HA . 19302 1 1155 . 1 1 105 105 GLN HB2 H 1 1.194 0.008 . . . . . A 105 GLN HB2 . 19302 1 1156 . 1 1 105 105 GLN HB3 H 1 1.913 0.004 . . . . . A 105 GLN HB3 . 19302 1 1157 . 1 1 105 105 GLN HG2 H 1 2.031 0.009 . . . . . A 105 GLN HG2 . 19302 1 1158 . 1 1 105 105 GLN HG3 H 1 2.031 0.009 . . . . . A 105 GLN HG3 . 19302 1 1159 . 1 1 105 105 GLN C C 13 176.984 0.000 . . . . . A 105 GLN C . 19302 1 1160 . 1 1 105 105 GLN CA C 13 59.986 0.000 . . . . . A 105 GLN CA . 19302 1 1161 . 1 1 105 105 GLN CB C 13 27.878 0.000 . . . . . A 105 GLN CB . 19302 1 1162 . 1 1 105 105 GLN CG C 13 33.440 0.000 . . . . . A 105 GLN CG . 19302 1 1163 . 1 1 105 105 GLN N N 15 123.941 0.031 . . . . . A 105 GLN N . 19302 1 1164 . 1 1 106 106 LYS H H 1 7.692 0.006 . . . . . A 106 LYS H . 19302 1 1165 . 1 1 106 106 LYS HA H 1 3.752 0.012 . . . . . A 106 LYS HA . 19302 1 1166 . 1 1 106 106 LYS HB2 H 1 1.778 0.013 . . . . . A 106 LYS HB2 . 19302 1 1167 . 1 1 106 106 LYS HB3 H 1 1.778 0.013 . . . . . A 106 LYS HB3 . 19302 1 1168 . 1 1 106 106 LYS HG2 H 1 0.780 0.001 . . . . . A 106 LYS HG2 . 19302 1 1169 . 1 1 106 106 LYS HG3 H 1 0.780 0.001 . . . . . A 106 LYS HG3 . 19302 1 1170 . 1 1 106 106 LYS HD2 H 1 1.515 0.010 . . . . . A 106 LYS HD2 . 19302 1 1171 . 1 1 106 106 LYS HD3 H 1 1.515 0.010 . . . . . A 106 LYS HD3 . 19302 1 1172 . 1 1 106 106 LYS HE2 H 1 2.780 0.009 . . . . . A 106 LYS HE2 . 19302 1 1173 . 1 1 106 106 LYS HE3 H 1 2.780 0.009 . . . . . A 106 LYS HE3 . 19302 1 1174 . 1 1 106 106 LYS C C 13 177.834 0.000 . . . . . A 106 LYS C . 19302 1 1175 . 1 1 106 106 LYS CA C 13 60.337 0.000 . . . . . A 106 LYS CA . 19302 1 1176 . 1 1 106 106 LYS CB C 13 32.380 0.000 . . . . . A 106 LYS CB . 19302 1 1177 . 1 1 106 106 LYS CG C 13 25.320 0.000 . . . . . A 106 LYS CG . 19302 1 1178 . 1 1 106 106 LYS CD C 13 29.254 0.000 . . . . . A 106 LYS CD . 19302 1 1179 . 1 1 106 106 LYS CE C 13 42.366 0.000 . . . . . A 106 LYS CE . 19302 1 1180 . 1 1 106 106 LYS N N 15 119.943 0.064 . . . . . A 106 LYS N . 19302 1 1181 . 1 1 107 107 PHE H H 1 7.514 0.005 . . . . . A 107 PHE H . 19302 1 1182 . 1 1 107 107 PHE HA H 1 4.378 0.010 . . . . . A 107 PHE HA . 19302 1 1183 . 1 1 107 107 PHE HB2 H 1 2.842 0.004 . . . . . A 107 PHE HB2 . 19302 1 1184 . 1 1 107 107 PHE HB3 H 1 3.185 0.006 . . . . . A 107 PHE HB3 . 19302 1 1185 . 1 1 107 107 PHE HD1 H 1 7.125 0.007 . . . . . A 107 PHE HD1 . 19302 1 1186 . 1 1 107 107 PHE HD2 H 1 7.125 0.007 . . . . . A 107 PHE HD2 . 19302 1 1187 . 1 1 107 107 PHE C C 13 176.089 0.000 . . . . . A 107 PHE C . 19302 1 1188 . 1 1 107 107 PHE CA C 13 60.327 0.000 . . . . . A 107 PHE CA . 19302 1 1189 . 1 1 107 107 PHE CB C 13 40.477 0.000 . . . . . A 107 PHE CB . 19302 1 1190 . 1 1 107 107 PHE N N 15 117.769 0.032 . . . . . A 107 PHE N . 19302 1 1191 . 1 1 108 108 THR H H 1 8.541 0.004 . . . . . A 108 THR H . 19302 1 1192 . 1 1 108 108 THR HA H 1 3.196 0.017 . . . . . A 108 THR HA . 19302 1 1193 . 1 1 108 108 THR HB H 1 3.774 0.005 . . . . . A 108 THR HB . 19302 1 1194 . 1 1 108 108 THR HG21 H 1 0.904 0.010 . . . . . A 108 THR HG21 . 19302 1 1195 . 1 1 108 108 THR HG22 H 1 0.904 0.010 . . . . . A 108 THR HG22 . 19302 1 1196 . 1 1 108 108 THR HG23 H 1 0.904 0.010 . . . . . A 108 THR HG23 . 19302 1 1197 . 1 1 108 108 THR C C 13 174.656 0.000 . . . . . A 108 THR C . 19302 1 1198 . 1 1 108 108 THR CA C 13 67.885 0.000 . . . . . A 108 THR CA . 19302 1 1199 . 1 1 108 108 THR CB C 13 69.292 0.000 . . . . . A 108 THR CB . 19302 1 1200 . 1 1 108 108 THR CG2 C 13 23.207 0.000 . . . . . A 108 THR CG2 . 19302 1 1201 . 1 1 108 108 THR N N 15 112.966 0.031 . . . . . A 108 THR N . 19302 1 1202 . 1 1 109 109 VAL H H 1 8.065 0.005 . . . . . A 109 VAL H . 19302 1 1203 . 1 1 109 109 VAL HA H 1 3.953 0.004 . . . . . A 109 VAL HA . 19302 1 1204 . 1 1 109 109 VAL HB H 1 1.979 0.011 . . . . . A 109 VAL HB . 19302 1 1205 . 1 1 109 109 VAL HG11 H 1 0.745 0.009 . . . . . A 109 VAL HG11 . 19302 1 1206 . 1 1 109 109 VAL HG12 H 1 0.745 0.009 . . . . . A 109 VAL HG12 . 19302 1 1207 . 1 1 109 109 VAL HG13 H 1 0.745 0.009 . . . . . A 109 VAL HG13 . 19302 1 1208 . 1 1 109 109 VAL HG21 H 1 0.933 0.006 . . . . . A 109 VAL HG21 . 19302 1 1209 . 1 1 109 109 VAL HG22 H 1 0.933 0.006 . . . . . A 109 VAL HG22 . 19302 1 1210 . 1 1 109 109 VAL HG23 H 1 0.933 0.006 . . . . . A 109 VAL HG23 . 19302 1 1211 . 1 1 109 109 VAL C C 13 178.009 0.000 . . . . . A 109 VAL C . 19302 1 1212 . 1 1 109 109 VAL CA C 13 65.110 0.000 . . . . . A 109 VAL CA . 19302 1 1213 . 1 1 109 109 VAL CB C 13 32.327 0.000 . . . . . A 109 VAL CB . 19302 1 1214 . 1 1 109 109 VAL CG1 C 13 20.825 0.000 . . . . . A 109 VAL CG1 . 19302 1 1215 . 1 1 109 109 VAL CG2 C 13 22.805 0.000 . . . . . A 109 VAL CG2 . 19302 1 1216 . 1 1 109 109 VAL N N 15 118.515 0.062 . . . . . A 109 VAL N . 19302 1 1217 . 1 1 110 110 LEU H H 1 7.224 0.005 . . . . . A 110 LEU H . 19302 1 1218 . 1 1 110 110 LEU HA H 1 4.157 0.008 . . . . . A 110 LEU HA . 19302 1 1219 . 1 1 110 110 LEU HB2 H 1 1.470 0.011 . . . . . A 110 LEU HB2 . 19302 1 1220 . 1 1 110 110 LEU HB3 H 1 2.000 0.012 . . . . . A 110 LEU HB3 . 19302 1 1221 . 1 1 110 110 LEU HD11 H 1 0.750 0.005 . . . . . A 110 LEU HD11 . 19302 1 1222 . 1 1 110 110 LEU HD12 H 1 0.750 0.005 . . . . . A 110 LEU HD12 . 19302 1 1223 . 1 1 110 110 LEU HD13 H 1 0.750 0.005 . . . . . A 110 LEU HD13 . 19302 1 1224 . 1 1 110 110 LEU HD21 H 1 0.750 0.005 . . . . . A 110 LEU HD21 . 19302 1 1225 . 1 1 110 110 LEU HD22 H 1 0.750 0.005 . . . . . A 110 LEU HD22 . 19302 1 1226 . 1 1 110 110 LEU HD23 H 1 0.750 0.005 . . . . . A 110 LEU HD23 . 19302 1 1227 . 1 1 110 110 LEU C C 13 178.351 0.000 . . . . . A 110 LEU C . 19302 1 1228 . 1 1 110 110 LEU CA C 13 57.133 0.000 . . . . . A 110 LEU CA . 19302 1 1229 . 1 1 110 110 LEU CB C 13 40.985 0.000 . . . . . A 110 LEU CB . 19302 1 1230 . 1 1 110 110 LEU CG C 13 27.310 0.000 . . . . . A 110 LEU CG . 19302 1 1231 . 1 1 110 110 LEU CD1 C 13 23.119 0.000 . . . . . A 110 LEU CD1 . 19302 1 1232 . 1 1 110 110 LEU CD2 C 13 25.103 0.000 . . . . . A 110 LEU CD2 . 19302 1 1233 . 1 1 110 110 LEU N N 15 118.627 0.024 . . . . . A 110 LEU N . 19302 1 1234 . 1 1 111 111 ASP H H 1 7.719 0.004 . . . . . A 111 ASP H . 19302 1 1235 . 1 1 111 111 ASP HA H 1 4.325 0.008 . . . . . A 111 ASP HA . 19302 1 1236 . 1 1 111 111 ASP HB2 H 1 2.257 0.007 . . . . . A 111 ASP HB2 . 19302 1 1237 . 1 1 111 111 ASP HB3 H 1 3.045 0.008 . . . . . A 111 ASP HB3 . 19302 1 1238 . 1 1 111 111 ASP C C 13 178.644 0.000 . . . . . A 111 ASP C . 19302 1 1239 . 1 1 111 111 ASP CA C 13 57.243 0.000 . . . . . A 111 ASP CA . 19302 1 1240 . 1 1 111 111 ASP CB C 13 39.330 0.035 . . . . . A 111 ASP CB . 19302 1 1241 . 1 1 111 111 ASP N N 15 119.092 0.036 . . . . . A 111 ASP N . 19302 1 1242 . 1 1 112 112 LEU H H 1 7.306 0.004 . . . . . A 112 LEU H . 19302 1 1243 . 1 1 112 112 LEU HA H 1 4.044 0.004 . . . . . A 112 LEU HA . 19302 1 1244 . 1 1 112 112 LEU HB2 H 1 1.058 0.005 . . . . . A 112 LEU HB2 . 19302 1 1245 . 1 1 112 112 LEU HB3 H 1 1.867 0.012 . . . . . A 112 LEU HB3 . 19302 1 1246 . 1 1 112 112 LEU HD11 H 1 0.333 0.009 . . . . . A 112 LEU HD11 . 19302 1 1247 . 1 1 112 112 LEU HD12 H 1 0.333 0.009 . . . . . A 112 LEU HD12 . 19302 1 1248 . 1 1 112 112 LEU HD13 H 1 0.333 0.009 . . . . . A 112 LEU HD13 . 19302 1 1249 . 1 1 112 112 LEU HD21 H 1 0.737 0.001 . . . . . A 112 LEU HD21 . 19302 1 1250 . 1 1 112 112 LEU HD22 H 1 0.737 0.001 . . . . . A 112 LEU HD22 . 19302 1 1251 . 1 1 112 112 LEU HD23 H 1 0.737 0.001 . . . . . A 112 LEU HD23 . 19302 1 1252 . 1 1 112 112 LEU C C 13 177.936 0.000 . . . . . A 112 LEU C . 19302 1 1253 . 1 1 112 112 LEU CA C 13 55.507 0.000 . . . . . A 112 LEU CA . 19302 1 1254 . 1 1 112 112 LEU CB C 13 42.142 0.055 . . . . . A 112 LEU CB . 19302 1 1255 . 1 1 112 112 LEU CD1 C 13 22.386 0.000 . . . . . A 112 LEU CD1 . 19302 1 1256 . 1 1 112 112 LEU CD2 C 13 27.697 0.000 . . . . . A 112 LEU CD2 . 19302 1 1257 . 1 1 112 112 LEU N N 15 114.990 0.031 . . . . . A 112 LEU N . 19302 1 1258 . 1 1 113 113 GLY H H 1 6.651 0.006 . . . . . A 113 GLY H . 19302 1 1259 . 1 1 113 113 GLY HA2 H 1 3.687 0.002 . . . . . A 113 GLY HA2 . 19302 1 1260 . 1 1 113 113 GLY HA3 H 1 3.884 0.016 . . . . . A 113 GLY HA3 . 19302 1 1261 . 1 1 113 113 GLY C C 13 175.161 0.000 . . . . . A 113 GLY C . 19302 1 1262 . 1 1 113 113 GLY CA C 13 47.080 0.000 . . . . . A 113 GLY CA . 19302 1 1263 . 1 1 113 113 GLY N N 15 108.097 0.061 . . . . . A 113 GLY N . 19302 1 1264 . 1 1 114 114 MET H H 1 8.107 0.005 . . . . . A 114 MET H . 19302 1 1265 . 1 1 114 114 MET HA H 1 4.441 0.006 . . . . . A 114 MET HA . 19302 1 1266 . 1 1 114 114 MET HB2 H 1 1.438 0.005 . . . . . A 114 MET HB2 . 19302 1 1267 . 1 1 114 114 MET HB3 H 1 1.864 0.007 . . . . . A 114 MET HB3 . 19302 1 1268 . 1 1 114 114 MET HG2 H 1 2.164 0.010 . . . . . A 114 MET HG2 . 19302 1 1269 . 1 1 114 114 MET HG3 H 1 2.347 0.006 . . . . . A 114 MET HG3 . 19302 1 1270 . 1 1 114 114 MET C C 13 174.467 0.000 . . . . . A 114 MET C . 19302 1 1271 . 1 1 114 114 MET CA C 13 55.303 0.000 . . . . . A 114 MET CA . 19302 1 1272 . 1 1 114 114 MET CB C 13 35.820 0.000 . . . . . A 114 MET CB . 19302 1 1273 . 1 1 114 114 MET CG C 13 33.362 0.000 . . . . . A 114 MET CG . 19302 1 1274 . 1 1 114 114 MET N N 15 119.916 0.045 . . . . . A 114 MET N . 19302 1 1275 . 1 1 115 115 VAL H H 1 7.414 0.005 . . . . . A 115 VAL H . 19302 1 1276 . 1 1 115 115 VAL HA H 1 3.723 0.003 . . . . . A 115 VAL HA . 19302 1 1277 . 1 1 115 115 VAL HB H 1 1.718 0.011 . . . . . A 115 VAL HB . 19302 1 1278 . 1 1 115 115 VAL HG11 H 1 0.728 0.015 . . . . . A 115 VAL HG11 . 19302 1 1279 . 1 1 115 115 VAL HG12 H 1 0.728 0.015 . . . . . A 115 VAL HG12 . 19302 1 1280 . 1 1 115 115 VAL HG13 H 1 0.728 0.015 . . . . . A 115 VAL HG13 . 19302 1 1281 . 1 1 115 115 VAL HG21 H 1 0.845 0.010 . . . . . A 115 VAL HG21 . 19302 1 1282 . 1 1 115 115 VAL HG22 H 1 0.845 0.010 . . . . . A 115 VAL HG22 . 19302 1 1283 . 1 1 115 115 VAL HG23 H 1 0.845 0.010 . . . . . A 115 VAL HG23 . 19302 1 1284 . 1 1 115 115 VAL C C 13 173.084 0.000 . . . . . A 115 VAL C . 19302 1 1285 . 1 1 115 115 VAL CA C 13 62.921 0.000 . . . . . A 115 VAL CA . 19302 1 1286 . 1 1 115 115 VAL CB C 13 33.192 0.000 . . . . . A 115 VAL CB . 19302 1 1287 . 1 1 115 115 VAL CG1 C 13 21.358 0.000 . . . . . A 115 VAL CG1 . 19302 1 1288 . 1 1 115 115 VAL CG2 C 13 21.358 0.000 . . . . . A 115 VAL CG2 . 19302 1 1289 . 1 1 115 115 VAL N N 15 120.592 0.027 . . . . . A 115 VAL N . 19302 1 1290 . 1 1 116 116 LEU H H 1 7.872 0.003 . . . . . A 116 LEU H . 19302 1 1291 . 1 1 116 116 LEU HA H 1 5.176 0.009 . . . . . A 116 LEU HA . 19302 1 1292 . 1 1 116 116 LEU HB2 H 1 0.922 0.016 . . . . . A 116 LEU HB2 . 19302 1 1293 . 1 1 116 116 LEU HB3 H 1 1.618 0.007 . . . . . A 116 LEU HB3 . 19302 1 1294 . 1 1 116 116 LEU HD11 H 1 0.582 0.009 . . . . . A 116 LEU HD11 . 19302 1 1295 . 1 1 116 116 LEU HD12 H 1 0.582 0.009 . . . . . A 116 LEU HD12 . 19302 1 1296 . 1 1 116 116 LEU HD13 H 1 0.582 0.009 . . . . . A 116 LEU HD13 . 19302 1 1297 . 1 1 116 116 LEU HD21 H 1 0.557 0.002 . . . . . A 116 LEU HD21 . 19302 1 1298 . 1 1 116 116 LEU HD22 H 1 0.557 0.002 . . . . . A 116 LEU HD22 . 19302 1 1299 . 1 1 116 116 LEU HD23 H 1 0.557 0.002 . . . . . A 116 LEU HD23 . 19302 1 1300 . 1 1 116 116 LEU C C 13 175.304 0.000 . . . . . A 116 LEU C . 19302 1 1301 . 1 1 116 116 LEU CA C 13 53.335 0.000 . . . . . A 116 LEU CA . 19302 1 1302 . 1 1 116 116 LEU CB C 13 45.512 0.043 . . . . . A 116 LEU CB . 19302 1 1303 . 1 1 116 116 LEU CD1 C 13 24.872 0.000 . . . . . A 116 LEU CD1 . 19302 1 1304 . 1 1 116 116 LEU CD2 C 13 27.045 0.015 . . . . . A 116 LEU CD2 . 19302 1 1305 . 1 1 116 116 LEU N N 15 128.303 0.062 . . . . . A 116 LEU N . 19302 1 1306 . 1 1 117 117 LEU H H 1 9.331 0.005 . . . . . A 117 LEU H . 19302 1 1307 . 1 1 117 117 LEU HA H 1 4.922 0.007 . . . . . A 117 LEU HA . 19302 1 1308 . 1 1 117 117 LEU HB2 H 1 1.260 0.010 . . . . . A 117 LEU HB2 . 19302 1 1309 . 1 1 117 117 LEU HB3 H 1 1.579 0.009 . . . . . A 117 LEU HB3 . 19302 1 1310 . 1 1 117 117 LEU C C 13 173.512 0.000 . . . . . A 117 LEU C . 19302 1 1311 . 1 1 117 117 LEU CA C 13 51.061 0.000 . . . . . A 117 LEU CA . 19302 1 1312 . 1 1 117 117 LEU CB C 13 43.824 0.021 . . . . . A 117 LEU CB . 19302 1 1313 . 1 1 117 117 LEU N N 15 129.470 0.033 . . . . . A 117 LEU N . 19302 1 1314 . 1 1 118 118 PRO HA H 1 5.167 0.009 . . . . . A 118 PRO HA . 19302 1 1315 . 1 1 118 118 PRO HB2 H 1 1.710 0.008 . . . . . A 118 PRO HB2 . 19302 1 1316 . 1 1 118 118 PRO HB3 H 1 1.710 0.008 . . . . . A 118 PRO HB3 . 19302 1 1317 . 1 1 118 118 PRO C C 13 176.784 0.000 . . . . . A 118 PRO C . 19302 1 1318 . 1 1 118 118 PRO CA C 13 61.019 0.000 . . . . . A 118 PRO CA . 19302 1 1319 . 1 1 118 118 PRO CB C 13 32.806 0.000 . . . . . A 118 PRO CB . 19302 1 1320 . 1 1 119 119 VAL H H 1 8.775 0.003 . . . . . A 119 VAL H . 19302 1 1321 . 1 1 119 119 VAL HA H 1 4.507 0.011 . . . . . A 119 VAL HA . 19302 1 1322 . 1 1 119 119 VAL HB H 1 1.976 0.010 . . . . . A 119 VAL HB . 19302 1 1323 . 1 1 119 119 VAL HG11 H 1 0.436 0.012 . . . . . A 119 VAL HG11 . 19302 1 1324 . 1 1 119 119 VAL HG12 H 1 0.436 0.012 . . . . . A 119 VAL HG12 . 19302 1 1325 . 1 1 119 119 VAL HG13 H 1 0.436 0.012 . . . . . A 119 VAL HG13 . 19302 1 1326 . 1 1 119 119 VAL HG21 H 1 0.601 0.009 . . . . . A 119 VAL HG21 . 19302 1 1327 . 1 1 119 119 VAL HG22 H 1 0.601 0.009 . . . . . A 119 VAL HG22 . 19302 1 1328 . 1 1 119 119 VAL HG23 H 1 0.601 0.009 . . . . . A 119 VAL HG23 . 19302 1 1329 . 1 1 119 119 VAL C C 13 174.881 0.000 . . . . . A 119 VAL C . 19302 1 1330 . 1 1 119 119 VAL CA C 13 59.150 0.000 . . . . . A 119 VAL CA . 19302 1 1331 . 1 1 119 119 VAL CB C 13 36.847 0.000 . . . . . A 119 VAL CB . 19302 1 1332 . 1 1 119 119 VAL CG1 C 13 18.034 0.000 . . . . . A 119 VAL CG1 . 19302 1 1333 . 1 1 119 119 VAL CG2 C 13 23.357 0.000 . . . . . A 119 VAL CG2 . 19302 1 1334 . 1 1 119 119 VAL N N 15 114.345 0.047 . . . . . A 119 VAL N . 19302 1 1335 . 1 1 120 120 ALA H H 1 8.740 0.006 . . . . . A 120 ALA H . 19302 1 1336 . 1 1 120 120 ALA HA H 1 4.335 0.002 . . . . . A 120 ALA HA . 19302 1 1337 . 1 1 120 120 ALA HB1 H 1 1.268 0.017 . . . . . A 120 ALA HB1 . 19302 1 1338 . 1 1 120 120 ALA HB2 H 1 1.268 0.017 . . . . . A 120 ALA HB2 . 19302 1 1339 . 1 1 120 120 ALA HB3 H 1 1.268 0.017 . . . . . A 120 ALA HB3 . 19302 1 1340 . 1 1 120 120 ALA C C 13 177.637 0.000 . . . . . A 120 ALA C . 19302 1 1341 . 1 1 120 120 ALA CA C 13 52.662 0.000 . . . . . A 120 ALA CA . 19302 1 1342 . 1 1 120 120 ALA CB C 13 19.817 0.000 . . . . . A 120 ALA CB . 19302 1 1343 . 1 1 120 120 ALA N N 15 121.458 0.042 . . . . . A 120 ALA N . 19302 1 1344 . 1 1 121 121 SER H H 1 7.147 0.006 . . . . . A 121 SER H . 19302 1 1345 . 1 1 121 121 SER HA H 1 4.523 0.006 . . . . . A 121 SER HA . 19302 1 1346 . 1 1 121 121 SER HB2 H 1 3.892 0.009 . . . . . A 121 SER HB2 . 19302 1 1347 . 1 1 121 121 SER HB3 H 1 4.083 0.004 . . . . . A 121 SER HB3 . 19302 1 1348 . 1 1 121 121 SER C C 13 173.940 0.000 . . . . . A 121 SER C . 19302 1 1349 . 1 1 121 121 SER CA C 13 56.668 0.000 . . . . . A 121 SER CA . 19302 1 1350 . 1 1 121 121 SER CB C 13 66.057 0.000 . . . . . A 121 SER CB . 19302 1 1351 . 1 1 121 121 SER N N 15 106.201 0.039 . . . . . A 121 SER N . 19302 1 1352 . 1 1 122 122 GLN H H 1 9.055 0.004 . . . . . A 122 GLN H . 19302 1 1353 . 1 1 122 122 GLN HA H 1 4.063 0.010 . . . . . A 122 GLN HA . 19302 1 1354 . 1 1 122 122 GLN HB2 H 1 1.901 0.000 . . . . . A 122 GLN HB2 . 19302 1 1355 . 1 1 122 122 GLN HB3 H 1 1.990 0.000 . . . . . A 122 GLN HB3 . 19302 1 1356 . 1 1 122 122 GLN C C 13 178.350 0.000 . . . . . A 122 GLN C . 19302 1 1357 . 1 1 122 122 GLN CA C 13 59.436 0.000 . . . . . A 122 GLN CA . 19302 1 1358 . 1 1 122 122 GLN CB C 13 29.018 0.000 . . . . . A 122 GLN CB . 19302 1 1359 . 1 1 122 122 GLN CG C 13 35.382 0.000 . . . . . A 122 GLN CG . 19302 1 1360 . 1 1 122 122 GLN N N 15 120.942 0.029 . . . . . A 122 GLN N . 19302 1 1361 . 1 1 123 123 MET H H 1 7.950 0.005 . . . . . A 123 MET H . 19302 1 1362 . 1 1 123 123 MET HA H 1 3.947 0.013 . . . . . A 123 MET HA . 19302 1 1363 . 1 1 123 123 MET HB2 H 1 1.881 0.001 . . . . . A 123 MET HB2 . 19302 1 1364 . 1 1 123 123 MET HB3 H 1 1.881 0.001 . . . . . A 123 MET HB3 . 19302 1 1365 . 1 1 123 123 MET HG2 H 1 2.356 0.004 . . . . . A 123 MET HG2 . 19302 1 1366 . 1 1 123 123 MET HG3 H 1 2.356 0.004 . . . . . A 123 MET HG3 . 19302 1 1367 . 1 1 123 123 MET C C 13 179.161 0.000 . . . . . A 123 MET C . 19302 1 1368 . 1 1 123 123 MET CA C 13 58.802 0.000 . . . . . A 123 MET CA . 19302 1 1369 . 1 1 123 123 MET CB C 13 31.305 0.000 . . . . . A 123 MET CB . 19302 1 1370 . 1 1 123 123 MET CG C 13 32.218 0.000 . . . . . A 123 MET CG . 19302 1 1371 . 1 1 123 123 MET N N 15 118.978 0.036 . . . . . A 123 MET N . 19302 1 1372 . 1 1 124 124 GLU H H 1 7.729 0.006 . . . . . A 124 GLU H . 19302 1 1373 . 1 1 124 124 GLU HA H 1 3.897 0.009 . . . . . A 124 GLU HA . 19302 1 1374 . 1 1 124 124 GLU HB2 H 1 1.535 0.006 . . . . . A 124 GLU HB2 . 19302 1 1375 . 1 1 124 124 GLU HB3 H 1 1.932 0.007 . . . . . A 124 GLU HB3 . 19302 1 1376 . 1 1 124 124 GLU HG2 H 1 1.227 0.003 . . . . . A 124 GLU HG2 . 19302 1 1377 . 1 1 124 124 GLU HG3 H 1 1.470 0.021 . . . . . A 124 GLU HG3 . 19302 1 1378 . 1 1 124 124 GLU C C 13 179.272 0.000 . . . . . A 124 GLU C . 19302 1 1379 . 1 1 124 124 GLU CA C 13 59.686 0.000 . . . . . A 124 GLU CA . 19302 1 1380 . 1 1 124 124 GLU CB C 13 29.943 0.000 . . . . . A 124 GLU CB . 19302 1 1381 . 1 1 124 124 GLU CG C 13 33.793 0.000 . . . . . A 124 GLU CG . 19302 1 1382 . 1 1 124 124 GLU N N 15 121.747 0.054 . . . . . A 124 GLU N . 19302 1 1383 . 1 1 125 125 ALA H H 1 8.083 0.004 . . . . . A 125 ALA H . 19302 1 1384 . 1 1 125 125 ALA HA H 1 3.827 0.013 . . . . . A 125 ALA HA . 19302 1 1385 . 1 1 125 125 ALA HB1 H 1 1.421 0.006 . . . . . A 125 ALA HB1 . 19302 1 1386 . 1 1 125 125 ALA HB2 H 1 1.421 0.006 . . . . . A 125 ALA HB2 . 19302 1 1387 . 1 1 125 125 ALA HB3 H 1 1.421 0.006 . . . . . A 125 ALA HB3 . 19302 1 1388 . 1 1 125 125 ALA C C 13 178.068 0.000 . . . . . A 125 ALA C . 19302 1 1389 . 1 1 125 125 ALA CA C 13 54.330 0.000 . . . . . A 125 ALA CA . 19302 1 1390 . 1 1 125 125 ALA CB C 13 19.232 0.000 . . . . . A 125 ALA CB . 19302 1 1391 . 1 1 125 125 ALA N N 15 121.208 0.080 . . . . . A 125 ALA N . 19302 1 1392 . 1 1 126 126 SER H H 1 7.975 0.005 . . . . . A 126 SER H . 19302 1 1393 . 1 1 126 126 SER HA H 1 3.527 0.014 . . . . . A 126 SER HA . 19302 1 1394 . 1 1 126 126 SER HB2 H 1 3.807 0.003 . . . . . A 126 SER HB2 . 19302 1 1395 . 1 1 126 126 SER HB3 H 1 3.807 0.003 . . . . . A 126 SER HB3 . 19302 1 1396 . 1 1 126 126 SER C C 13 175.129 0.000 . . . . . A 126 SER C . 19302 1 1397 . 1 1 126 126 SER CA C 13 62.161 0.000 . . . . . A 126 SER CA . 19302 1 1398 . 1 1 126 126 SER CB C 13 69.705 0.000 . . . . . A 126 SER CB . 19302 1 1399 . 1 1 126 126 SER N N 15 114.095 0.017 . . . . . A 126 SER N . 19302 1 1400 . 1 1 127 127 CYS H H 1 6.869 0.003 . . . . . A 127 CYS H . 19302 1 1401 . 1 1 127 127 CYS HA H 1 3.819 0.009 . . . . . A 127 CYS HA . 19302 1 1402 . 1 1 127 127 CYS HB2 H 1 2.750 0.002 . . . . . A 127 CYS HB2 . 19302 1 1403 . 1 1 127 127 CYS HB3 H 1 2.849 0.016 . . . . . A 127 CYS HB3 . 19302 1 1404 . 1 1 127 127 CYS C C 13 177.016 0.000 . . . . . A 127 CYS C . 19302 1 1405 . 1 1 127 127 CYS CA C 13 62.351 0.000 . . . . . A 127 CYS CA . 19302 1 1406 . 1 1 127 127 CYS CB C 13 26.714 0.000 . . . . . A 127 CYS CB . 19302 1 1407 . 1 1 127 127 CYS N N 15 119.210 0.023 . . . . . A 127 CYS N . 19302 1 1408 . 1 1 128 128 LEU H H 1 7.527 0.005 . . . . . A 128 LEU H . 19302 1 1409 . 1 1 128 128 LEU HA H 1 3.947 0.015 . . . . . A 128 LEU HA . 19302 1 1410 . 1 1 128 128 LEU HB2 H 1 1.445 0.016 . . . . . A 128 LEU HB2 . 19302 1 1411 . 1 1 128 128 LEU HB3 H 1 1.608 0.013 . . . . . A 128 LEU HB3 . 19302 1 1412 . 1 1 128 128 LEU HG H 1 1.273 0.007 . . . . . A 128 LEU HG . 19302 1 1413 . 1 1 128 128 LEU HD11 H 1 0.581 0.009 . . . . . A 128 LEU HD11 . 19302 1 1414 . 1 1 128 128 LEU HD12 H 1 0.581 0.009 . . . . . A 128 LEU HD12 . 19302 1 1415 . 1 1 128 128 LEU HD13 H 1 0.581 0.009 . . . . . A 128 LEU HD13 . 19302 1 1416 . 1 1 128 128 LEU HD21 H 1 0.689 0.006 . . . . . A 128 LEU HD21 . 19302 1 1417 . 1 1 128 128 LEU HD22 H 1 0.689 0.006 . . . . . A 128 LEU HD22 . 19302 1 1418 . 1 1 128 128 LEU HD23 H 1 0.689 0.006 . . . . . A 128 LEU HD23 . 19302 1 1419 . 1 1 128 128 LEU C C 13 178.010 0.000 . . . . . A 128 LEU C . 19302 1 1420 . 1 1 128 128 LEU CA C 13 57.860 0.000 . . . . . A 128 LEU CA . 19302 1 1421 . 1 1 128 128 LEU CB C 13 41.951 0.002 . . . . . A 128 LEU CB . 19302 1 1422 . 1 1 128 128 LEU CD1 C 13 23.295 0.000 . . . . . A 128 LEU CD1 . 19302 1 1423 . 1 1 128 128 LEU CD2 C 13 26.183 0.023 . . . . . A 128 LEU CD2 . 19302 1 1424 . 1 1 128 128 LEU N N 15 122.342 0.014 . . . . . A 128 LEU N . 19302 1 1425 . 1 1 129 129 VAL H H 1 8.360 0.005 . . . . . A 129 VAL H . 19302 1 1426 . 1 1 129 129 VAL HA H 1 3.035 0.007 . . . . . A 129 VAL HA . 19302 1 1427 . 1 1 129 129 VAL HB H 1 1.668 0.007 . . . . . A 129 VAL HB . 19302 1 1428 . 1 1 129 129 VAL HG11 H 1 0.153 0.010 . . . . . A 129 VAL HG11 . 19302 1 1429 . 1 1 129 129 VAL HG12 H 1 0.153 0.010 . . . . . A 129 VAL HG12 . 19302 1 1430 . 1 1 129 129 VAL HG13 H 1 0.153 0.010 . . . . . A 129 VAL HG13 . 19302 1 1431 . 1 1 129 129 VAL HG21 H 1 0.153 0.010 . . . . . A 129 VAL HG21 . 19302 1 1432 . 1 1 129 129 VAL HG22 H 1 0.153 0.010 . . . . . A 129 VAL HG22 . 19302 1 1433 . 1 1 129 129 VAL HG23 H 1 0.153 0.010 . . . . . A 129 VAL HG23 . 19302 1 1434 . 1 1 129 129 VAL C C 13 177.035 0.000 . . . . . A 129 VAL C . 19302 1 1435 . 1 1 129 129 VAL CA C 13 67.656 0.000 . . . . . A 129 VAL CA . 19302 1 1436 . 1 1 129 129 VAL CB C 13 30.898 0.000 . . . . . A 129 VAL CB . 19302 1 1437 . 1 1 129 129 VAL CG1 C 13 21.957 0.000 . . . . . A 129 VAL CG1 . 19302 1 1438 . 1 1 129 129 VAL CG2 C 13 21.957 0.000 . . . . . A 129 VAL CG2 . 19302 1 1439 . 1 1 129 129 VAL N N 15 119.021 0.039 . . . . . A 129 VAL N . 19302 1 1440 . 1 1 130 130 ILE H H 1 7.331 0.004 . . . . . A 130 ILE H . 19302 1 1441 . 1 1 130 130 ILE HA H 1 3.292 0.007 . . . . . A 130 ILE HA . 19302 1 1442 . 1 1 130 130 ILE HB H 1 1.713 0.012 . . . . . A 130 ILE HB . 19302 1 1443 . 1 1 130 130 ILE HG12 H 1 0.952 0.010 . . . . . A 130 ILE HG12 . 19302 1 1444 . 1 1 130 130 ILE HG13 H 1 1.399 0.009 . . . . . A 130 ILE HG13 . 19302 1 1445 . 1 1 130 130 ILE HG21 H 1 0.639 0.009 . . . . . A 130 ILE HG21 . 19302 1 1446 . 1 1 130 130 ILE HG22 H 1 0.639 0.009 . . . . . A 130 ILE HG22 . 19302 1 1447 . 1 1 130 130 ILE HG23 H 1 0.639 0.009 . . . . . A 130 ILE HG23 . 19302 1 1448 . 1 1 130 130 ILE HD11 H 1 0.557 0.011 . . . . . A 130 ILE HD11 . 19302 1 1449 . 1 1 130 130 ILE HD12 H 1 0.557 0.011 . . . . . A 130 ILE HD12 . 19302 1 1450 . 1 1 130 130 ILE HD13 H 1 0.557 0.011 . . . . . A 130 ILE HD13 . 19302 1 1451 . 1 1 130 130 ILE C C 13 177.834 0.000 . . . . . A 130 ILE C . 19302 1 1452 . 1 1 130 130 ILE CA C 13 64.592 0.000 . . . . . A 130 ILE CA . 19302 1 1453 . 1 1 130 130 ILE CB C 13 36.970 0.032 . . . . . A 130 ILE CB . 19302 1 1454 . 1 1 130 130 ILE CG1 C 13 29.126 0.118 . . . . . A 130 ILE CG1 . 19302 1 1455 . 1 1 130 130 ILE CG2 C 13 17.433 0.000 . . . . . A 130 ILE CG2 . 19302 1 1456 . 1 1 130 130 ILE N N 15 117.913 0.020 . . . . . A 130 ILE N . 19302 1 1457 . 1 1 131 131 GLN H H 1 7.505 0.003 . . . . . A 131 GLN H . 19302 1 1458 . 1 1 131 131 GLN HA H 1 3.846 0.004 . . . . . A 131 GLN HA . 19302 1 1459 . 1 1 131 131 GLN HB2 H 1 2.040 0.002 . . . . . A 131 GLN HB2 . 19302 1 1460 . 1 1 131 131 GLN HB3 H 1 2.040 0.002 . . . . . A 131 GLN HB3 . 19302 1 1461 . 1 1 131 131 GLN HG2 H 1 2.250 0.004 . . . . . A 131 GLN HG2 . 19302 1 1462 . 1 1 131 131 GLN HG3 H 1 2.511 0.000 . . . . . A 131 GLN HG3 . 19302 1 1463 . 1 1 131 131 GLN C C 13 178.708 0.000 . . . . . A 131 GLN C . 19302 1 1464 . 1 1 131 131 GLN CA C 13 59.310 0.000 . . . . . A 131 GLN CA . 19302 1 1465 . 1 1 131 131 GLN CB C 13 28.102 0.000 . . . . . A 131 GLN CB . 19302 1 1466 . 1 1 131 131 GLN CG C 13 33.588 0.000 . . . . . A 131 GLN CG . 19302 1 1467 . 1 1 131 131 GLN N N 15 120.359 0.035 . . . . . A 131 GLN N . 19302 1 1468 . 1 1 132 132 LEU H H 1 8.270 0.003 . . . . . A 132 LEU H . 19302 1 1469 . 1 1 132 132 LEU HA H 1 3.848 0.011 . . . . . A 132 LEU HA . 19302 1 1470 . 1 1 132 132 LEU HB2 H 1 1.001 0.012 . . . . . A 132 LEU HB2 . 19302 1 1471 . 1 1 132 132 LEU HB3 H 1 1.797 0.007 . . . . . A 132 LEU HB3 . 19302 1 1472 . 1 1 132 132 LEU HD11 H 1 0.569 0.001 . . . . . A 132 LEU HD11 . 19302 1 1473 . 1 1 132 132 LEU HD12 H 1 0.569 0.001 . . . . . A 132 LEU HD12 . 19302 1 1474 . 1 1 132 132 LEU HD13 H 1 0.569 0.001 . . . . . A 132 LEU HD13 . 19302 1 1475 . 1 1 132 132 LEU HD21 H 1 0.464 0.009 . . . . . A 132 LEU HD21 . 19302 1 1476 . 1 1 132 132 LEU HD22 H 1 0.464 0.009 . . . . . A 132 LEU HD22 . 19302 1 1477 . 1 1 132 132 LEU HD23 H 1 0.464 0.009 . . . . . A 132 LEU HD23 . 19302 1 1478 . 1 1 132 132 LEU C C 13 179.854 0.000 . . . . . A 132 LEU C . 19302 1 1479 . 1 1 132 132 LEU CA C 13 57.975 0.000 . . . . . A 132 LEU CA . 19302 1 1480 . 1 1 132 132 LEU CB C 13 41.902 0.041 . . . . . A 132 LEU CB . 19302 1 1481 . 1 1 132 132 LEU CD1 C 13 21.961 0.000 . . . . . A 132 LEU CD1 . 19302 1 1482 . 1 1 132 132 LEU CD2 C 13 26.081 0.000 . . . . . A 132 LEU CD2 . 19302 1 1483 . 1 1 132 132 LEU N N 15 120.310 0.028 . . . . . A 132 LEU N . 19302 1 1484 . 1 1 133 133 VAL H H 1 8.162 0.003 . . . . . A 133 VAL H . 19302 1 1485 . 1 1 133 133 VAL HA H 1 4.004 0.009 . . . . . A 133 VAL HA . 19302 1 1486 . 1 1 133 133 VAL HB H 1 1.696 0.020 . . . . . A 133 VAL HB . 19302 1 1487 . 1 1 133 133 VAL C C 13 178.791 0.000 . . . . . A 133 VAL C . 19302 1 1488 . 1 1 133 133 VAL CA C 13 58.026 0.000 . . . . . A 133 VAL CA . 19302 1 1489 . 1 1 133 133 VAL CB C 13 32.475 0.000 . . . . . A 133 VAL CB . 19302 1 1490 . 1 1 133 133 VAL N N 15 120.909 0.050 . . . . . A 133 VAL N . 19302 1 1491 . 1 1 134 134 GLN H H 1 7.837 0.005 . . . . . A 134 GLN H . 19302 1 1492 . 1 1 134 134 GLN HA H 1 3.943 0.014 . . . . . A 134 GLN HA . 19302 1 1493 . 1 1 134 134 GLN HB2 H 1 1.759 0.008 . . . . . A 134 GLN HB2 . 19302 1 1494 . 1 1 134 134 GLN HB3 H 1 1.759 0.008 . . . . . A 134 GLN HB3 . 19302 1 1495 . 1 1 134 134 GLN HG2 H 1 2.008 0.005 . . . . . A 134 GLN HG2 . 19302 1 1496 . 1 1 134 134 GLN HG3 H 1 2.008 0.005 . . . . . A 134 GLN HG3 . 19302 1 1497 . 1 1 134 134 GLN C C 13 178.374 0.000 . . . . . A 134 GLN C . 19302 1 1498 . 1 1 134 134 GLN CA C 13 57.164 0.000 . . . . . A 134 GLN CA . 19302 1 1499 . 1 1 134 134 GLN CB C 13 29.632 0.000 . . . . . A 134 GLN CB . 19302 1 1500 . 1 1 134 134 GLN CG C 13 36.122 0.000 . . . . . A 134 GLN CG . 19302 1 1501 . 1 1 134 134 GLN N N 15 120.073 0.101 . . . . . A 134 GLN N . 19302 1 1502 . 1 1 135 135 GLU H H 1 7.989 0.003 . . . . . A 135 GLU H . 19302 1 1503 . 1 1 135 135 GLU HA H 1 3.902 0.009 . . . . . A 135 GLU HA . 19302 1 1504 . 1 1 135 135 GLU HB2 H 1 1.937 0.000 . . . . . A 135 GLU HB2 . 19302 1 1505 . 1 1 135 135 GLU HB3 H 1 1.937 0.000 . . . . . A 135 GLU HB3 . 19302 1 1506 . 1 1 135 135 GLU HG2 H 1 2.208 0.008 . . . . . A 135 GLU HG2 . 19302 1 1507 . 1 1 135 135 GLU HG3 H 1 2.208 0.008 . . . . . A 135 GLU HG3 . 19302 1 1508 . 1 1 135 135 GLU C C 13 177.986 0.000 . . . . . A 135 GLU C . 19302 1 1509 . 1 1 135 135 GLU CA C 13 58.266 0.000 . . . . . A 135 GLU CA . 19302 1 1510 . 1 1 135 135 GLU CB C 13 29.593 0.000 . . . . . A 135 GLU CB . 19302 1 1511 . 1 1 135 135 GLU N N 15 118.639 0.039 . . . . . A 135 GLU N . 19302 1 1512 . 1 1 136 136 GLN H H 1 7.845 0.002 . . . . . A 136 GLN H . 19302 1 1513 . 1 1 136 136 GLN HA H 1 3.994 0.005 . . . . . A 136 GLN HA . 19302 1 1514 . 1 1 136 136 GLN HB2 H 1 2.039 0.012 . . . . . A 136 GLN HB2 . 19302 1 1515 . 1 1 136 136 GLN HB3 H 1 2.039 0.012 . . . . . A 136 GLN HB3 . 19302 1 1516 . 1 1 136 136 GLN HG2 H 1 2.359 0.008 . . . . . A 136 GLN HG2 . 19302 1 1517 . 1 1 136 136 GLN HG3 H 1 2.359 0.008 . . . . . A 136 GLN HG3 . 19302 1 1518 . 1 1 136 136 GLN C C 13 176.807 0.000 . . . . . A 136 GLN C . 19302 1 1519 . 1 1 136 136 GLN CA C 13 56.762 0.000 . . . . . A 136 GLN CA . 19302 1 1520 . 1 1 136 136 GLN CB C 13 28.835 0.000 . . . . . A 136 GLN CB . 19302 1 1521 . 1 1 136 136 GLN N N 15 118.352 0.062 . . . . . A 136 GLN N . 19302 1 1522 . 1 1 137 137 THR H H 1 7.847 0.004 . . . . . A 137 THR H . 19302 1 1523 . 1 1 137 137 THR HA H 1 4.163 0.005 . . . . . A 137 THR HA . 19302 1 1524 . 1 1 137 137 THR HB H 1 3.973 0.009 . . . . . A 137 THR HB . 19302 1 1525 . 1 1 137 137 THR HG21 H 1 1.092 0.001 . . . . . A 137 THR HG21 . 19302 1 1526 . 1 1 137 137 THR HG22 H 1 1.092 0.001 . . . . . A 137 THR HG22 . 19302 1 1527 . 1 1 137 137 THR HG23 H 1 1.092 0.001 . . . . . A 137 THR HG23 . 19302 1 1528 . 1 1 137 137 THR C C 13 174.267 0.000 . . . . . A 137 THR C . 19302 1 1529 . 1 1 137 137 THR CA C 13 64.611 0.000 . . . . . A 137 THR CA . 19302 1 1530 . 1 1 137 137 THR CB C 13 69.280 0.000 . . . . . A 137 THR CB . 19302 1 1531 . 1 1 137 137 THR CG2 C 13 21.620 0.000 . . . . . A 137 THR CG2 . 19302 1 1532 . 1 1 137 137 THR N N 15 113.953 0.033 . . . . . A 137 THR N . 19302 1 1533 . 1 1 138 138 LYS H H 1 7.607 0.002 . . . . . A 138 LYS H . 19302 1 1534 . 1 1 138 138 LYS C C 13 176.119 0.000 . . . . . A 138 LYS C . 19302 1 1535 . 1 1 138 138 LYS CA C 13 56.329 0.000 . . . . . A 138 LYS CA . 19302 1 1536 . 1 1 138 138 LYS CB C 13 32.891 0.000 . . . . . A 138 LYS CB . 19302 1 1537 . 1 1 138 138 LYS N N 15 122.289 0.029 . . . . . A 138 LYS N . 19302 1 1538 . 1 1 139 139 GLU C C 13 174.589 0.000 . . . . . A 139 GLU C . 19302 1 1539 . 1 1 139 139 GLU CA C 13 54.646 0.000 . . . . . A 139 GLU CA . 19302 1 1540 . 1 1 139 139 GLU CB C 13 29.576 0.000 . . . . . A 139 GLU CB . 19302 1 stop_ save_