data_16388 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16388 _Entry.Title ; NMR Solution structure of a diflavin flavoprotein A3 from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR431C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-30 _Entry.Accession_date 2009-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 G.V.T. Swapna . . . 16388 2 Colleen Ciccosanti . . . 16388 3 Dongyan Wang . . . 16388 4 Mei Jiang . . . 16388 5 Rong Xiao . . . 16388 6 Thomas Acton . . . 16388 7 John Everett . . . 16388 8 R. Nair . . . 16388 9 Gaetano Montelione . . . 16388 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 16388 2 . 'PSI, Protein Structure Initiative' . 16388 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16388 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 612 16388 '15N chemical shifts' 154 16388 '1H chemical shifts' 1014 16388 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 . . 2010-06-03 2009-06-30 update BMRB 'edit assembly name' 16388 1 . . 2009-08-06 2009-06-30 original author 'original release' 16388 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KLB 'BMRB Entry Tracking System' 16388 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16388 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Solution structure of a diflavin flavoprotein A3 from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR431C' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G.V.T. Swapna . . . 16388 1 2 Colleen Ciccosanti . . . 16388 1 3 Dongyan Wang . . . 16388 1 4 Mei Jiang . . . 16388 1 5 Rong Xiao . . . 16388 1 6 Thomas Acton . . . 16388 1 7 John Everett . . . 16388 1 8 R. Nair . . . 16388 1 9 Gaetano Montelione . . . 16388 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'diflavin flavoprotein' 16388 1 'Northeast Structural Genomics Consortium' 16388 1 NsR431C 16388 1 'Protein NMR' 16388 1 'Protein Structure Initiative' 16388 1 PSI-2 16388 1 Q8YQD8 16388 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16388 _Assembly.ID 1 _Assembly.Name NsR431C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 NsR431C 1 $NsR431C A . yes native no no . . . 16388 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NsR431C _Entity.Sf_category entity _Entity.Sf_framecode NsR431C _Entity.Entry_ID 16388 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NsR431C _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 ; SIGVFYVSEYGYSDRLAQAI INGITKTGVGVDVVDLGAAV DLQELRELVGRCTGLVIGMS PAASAASIQGALSTILGSVN EKQAVGIFETGGGDDEPIDP LLSKFRNLGLTTAFPAIRIK QTPTENTYKLCEEAGTDLGQ WVTRDRLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1 SER' _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 154 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16475.629 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KLB . "Nmr Solution Structure Of A Diflavin Flavoprotein A3 From Nostoc Sp. Pcc 7120, Northeast Structural Genomics Consortium Target " . . . . . 100.00 154 100.00 100.00 2.43e-107 . . . . 16388 1 2 no PDB 3FNI . "Crystal Structure Of A Diflavin Flavoprotein A3 (all3895) From Nostoc Sp., Northeast Structural Genomics Consortium Target Nsr4" . . . . . 100.00 159 99.35 99.35 1.83e-106 . . . . 16388 1 3 no DBJ BAB75594 . "all3895 [Nostoc sp. PCC 7120]" . . . . . 94.81 574 100.00 100.00 3.16e-94 . . . . 16388 1 4 no REF WP_010998036 . "diflavin flavoprotein A [Nostoc sp. PCC 7120]" . . . . . 94.81 574 100.00 100.00 3.16e-94 . . . . 16388 1 5 no SP Q8YQD8 . "RecName: Full=Putative diflavin flavoprotein A 3" . . . . . 94.81 574 100.00 100.00 3.16e-94 . . . . 16388 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Mediates electron transfer from NADH to oxygen, reducing it to water. This modular protein has 3 redox cofactors, in other organisms the same activity requires 2 or 3 proteins (By similarity) ; 16388 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 . SER . 16388 1 2 . ILE . 16388 1 3 . GLY . 16388 1 4 . VAL . 16388 1 5 . PHE . 16388 1 6 . TYR . 16388 1 7 . VAL . 16388 1 8 . SER . 16388 1 9 . GLU . 16388 1 10 . TYR . 16388 1 11 . GLY . 16388 1 12 . TYR . 16388 1 13 . SER . 16388 1 14 . ASP . 16388 1 15 . ARG . 16388 1 16 . LEU . 16388 1 17 . ALA . 16388 1 18 . GLN . 16388 1 19 . ALA . 16388 1 20 . ILE . 16388 1 21 . ILE . 16388 1 22 . ASN . 16388 1 23 . GLY . 16388 1 24 . ILE . 16388 1 25 . THR . 16388 1 26 . LYS . 16388 1 27 . THR . 16388 1 28 . GLY . 16388 1 29 . VAL . 16388 1 30 . GLY . 16388 1 31 . VAL . 16388 1 32 . ASP . 16388 1 33 . VAL . 16388 1 34 . VAL . 16388 1 35 . ASP . 16388 1 36 . LEU . 16388 1 37 . GLY . 16388 1 38 . ALA . 16388 1 39 . ALA . 16388 1 40 . VAL . 16388 1 41 . ASP . 16388 1 42 . LEU . 16388 1 43 . GLN . 16388 1 44 . GLU . 16388 1 45 . LEU . 16388 1 46 . ARG . 16388 1 47 . GLU . 16388 1 48 . LEU . 16388 1 49 . VAL . 16388 1 50 . GLY . 16388 1 51 . ARG . 16388 1 52 . CYS . 16388 1 53 . THR . 16388 1 54 . GLY . 16388 1 55 . LEU . 16388 1 56 . VAL . 16388 1 57 . ILE . 16388 1 58 . GLY . 16388 1 59 . MET . 16388 1 60 . SER . 16388 1 61 . PRO . 16388 1 62 . ALA . 16388 1 63 . ALA . 16388 1 64 . SER . 16388 1 65 . ALA . 16388 1 66 . ALA . 16388 1 67 . SER . 16388 1 68 . ILE . 16388 1 69 . GLN . 16388 1 70 . GLY . 16388 1 71 . ALA . 16388 1 72 . LEU . 16388 1 73 . SER . 16388 1 74 . THR . 16388 1 75 . ILE . 16388 1 76 . LEU . 16388 1 77 . GLY . 16388 1 78 . SER . 16388 1 79 . VAL . 16388 1 80 . ASN . 16388 1 81 . GLU . 16388 1 82 . LYS . 16388 1 83 . GLN . 16388 1 84 . ALA . 16388 1 85 . VAL . 16388 1 86 . GLY . 16388 1 87 . ILE . 16388 1 88 . PHE . 16388 1 89 . GLU . 16388 1 90 . THR . 16388 1 91 . GLY . 16388 1 92 . GLY . 16388 1 93 . GLY . 16388 1 94 . ASP . 16388 1 95 . ASP . 16388 1 96 . GLU . 16388 1 97 . PRO . 16388 1 98 . ILE . 16388 1 99 . ASP . 16388 1 100 . PRO . 16388 1 101 . LEU . 16388 1 102 . LEU . 16388 1 103 . SER . 16388 1 104 . LYS . 16388 1 105 . PHE . 16388 1 106 . ARG . 16388 1 107 . ASN . 16388 1 108 . LEU . 16388 1 109 . GLY . 16388 1 110 . LEU . 16388 1 111 . THR . 16388 1 112 . THR . 16388 1 113 . ALA . 16388 1 114 . PHE . 16388 1 115 . PRO . 16388 1 116 . ALA . 16388 1 117 . ILE . 16388 1 118 . ARG . 16388 1 119 . ILE . 16388 1 120 . LYS . 16388 1 121 . GLN . 16388 1 122 . THR . 16388 1 123 . PRO . 16388 1 124 . THR . 16388 1 125 . GLU . 16388 1 126 . ASN . 16388 1 127 . THR . 16388 1 128 . TYR . 16388 1 129 . LYS . 16388 1 130 . LEU . 16388 1 131 . CYS . 16388 1 132 . GLU . 16388 1 133 . GLU . 16388 1 134 . ALA . 16388 1 135 . GLY . 16388 1 136 . THR . 16388 1 137 . ASP . 16388 1 138 . LEU . 16388 1 139 . GLY . 16388 1 140 . GLN . 16388 1 141 . TRP . 16388 1 142 . VAL . 16388 1 143 . THR . 16388 1 144 . ARG . 16388 1 145 . ASP . 16388 1 146 . ARG . 16388 1 147 . LEU . 16388 1 148 . GLU . 16388 1 149 . HIS . 16388 1 150 . HIS . 16388 1 151 . HIS . 16388 1 152 . HIS . 16388 1 153 . HIS . 16388 1 154 . HIS . 16388 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 . SER 1 1 16388 1 . ILE 2 2 16388 1 . GLY 3 3 16388 1 . VAL 4 4 16388 1 . PHE 5 5 16388 1 . TYR 6 6 16388 1 . VAL 7 7 16388 1 . SER 8 8 16388 1 . GLU 9 9 16388 1 . TYR 10 10 16388 1 . GLY 11 11 16388 1 . TYR 12 12 16388 1 . SER 13 13 16388 1 . ASP 14 14 16388 1 . ARG 15 15 16388 1 . LEU 16 16 16388 1 . ALA 17 17 16388 1 . GLN 18 18 16388 1 . ALA 19 19 16388 1 . ILE 20 20 16388 1 . ILE 21 21 16388 1 . ASN 22 22 16388 1 . GLY 23 23 16388 1 . ILE 24 24 16388 1 . THR 25 25 16388 1 . LYS 26 26 16388 1 . THR 27 27 16388 1 . GLY 28 28 16388 1 . VAL 29 29 16388 1 . GLY 30 30 16388 1 . VAL 31 31 16388 1 . ASP 32 32 16388 1 . VAL 33 33 16388 1 . VAL 34 34 16388 1 . ASP 35 35 16388 1 . LEU 36 36 16388 1 . GLY 37 37 16388 1 . ALA 38 38 16388 1 . ALA 39 39 16388 1 . VAL 40 40 16388 1 . ASP 41 41 16388 1 . LEU 42 42 16388 1 . GLN 43 43 16388 1 . GLU 44 44 16388 1 . LEU 45 45 16388 1 . ARG 46 46 16388 1 . GLU 47 47 16388 1 . LEU 48 48 16388 1 . VAL 49 49 16388 1 . GLY 50 50 16388 1 . ARG 51 51 16388 1 . CYS 52 52 16388 1 . THR 53 53 16388 1 . GLY 54 54 16388 1 . LEU 55 55 16388 1 . VAL 56 56 16388 1 . ILE 57 57 16388 1 . GLY 58 58 16388 1 . MET 59 59 16388 1 . SER 60 60 16388 1 . PRO 61 61 16388 1 . ALA 62 62 16388 1 . ALA 63 63 16388 1 . SER 64 64 16388 1 . ALA 65 65 16388 1 . ALA 66 66 16388 1 . SER 67 67 16388 1 . ILE 68 68 16388 1 . GLN 69 69 16388 1 . GLY 70 70 16388 1 . ALA 71 71 16388 1 . LEU 72 72 16388 1 . SER 73 73 16388 1 . THR 74 74 16388 1 . ILE 75 75 16388 1 . LEU 76 76 16388 1 . GLY 77 77 16388 1 . SER 78 78 16388 1 . VAL 79 79 16388 1 . ASN 80 80 16388 1 . GLU 81 81 16388 1 . LYS 82 82 16388 1 . GLN 83 83 16388 1 . ALA 84 84 16388 1 . VAL 85 85 16388 1 . GLY 86 86 16388 1 . ILE 87 87 16388 1 . PHE 88 88 16388 1 . GLU 89 89 16388 1 . THR 90 90 16388 1 . GLY 91 91 16388 1 . GLY 92 92 16388 1 . GLY 93 93 16388 1 . ASP 94 94 16388 1 . ASP 95 95 16388 1 . GLU 96 96 16388 1 . PRO 97 97 16388 1 . ILE 98 98 16388 1 . ASP 99 99 16388 1 . PRO 100 100 16388 1 . LEU 101 101 16388 1 . LEU 102 102 16388 1 . SER 103 103 16388 1 . LYS 104 104 16388 1 . PHE 105 105 16388 1 . ARG 106 106 16388 1 . ASN 107 107 16388 1 . LEU 108 108 16388 1 . GLY 109 109 16388 1 . LEU 110 110 16388 1 . THR 111 111 16388 1 . THR 112 112 16388 1 . ALA 113 113 16388 1 . PHE 114 114 16388 1 . PRO 115 115 16388 1 . ALA 116 116 16388 1 . ILE 117 117 16388 1 . ARG 118 118 16388 1 . ILE 119 119 16388 1 . LYS 120 120 16388 1 . GLN 121 121 16388 1 . THR 122 122 16388 1 . PRO 123 123 16388 1 . THR 124 124 16388 1 . GLU 125 125 16388 1 . ASN 126 126 16388 1 . THR 127 127 16388 1 . TYR 128 128 16388 1 . LYS 129 129 16388 1 . LEU 130 130 16388 1 . CYS 131 131 16388 1 . GLU 132 132 16388 1 . GLU 133 133 16388 1 . ALA 134 134 16388 1 . GLY 135 135 16388 1 . THR 136 136 16388 1 . ASP 137 137 16388 1 . LEU 138 138 16388 1 . GLY 139 139 16388 1 . GLN 140 140 16388 1 . TRP 141 141 16388 1 . VAL 142 142 16388 1 . THR 143 143 16388 1 . ARG 144 144 16388 1 . ASP 145 145 16388 1 . ARG 146 146 16388 1 . LEU 147 147 16388 1 . GLU 148 148 16388 1 . HIS 149 149 16388 1 . HIS 150 150 16388 1 . HIS 151 151 16388 1 . HIS 152 152 16388 1 . HIS 153 153 16388 1 . HIS 154 154 16388 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 16388 _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 $NsR431C . 103690 organism . 'Nostoc sp. PCC 7120' 'Nostoc sp. PCC 7120' . . Bacteria . Nostoc 'sp. PCC 7120' . . . . . . . . . . . . . . . . dfa3 . . . . 16388 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 16388 _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 $NsR431C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) + Magic' pET21-23C . . . . . . . . . . . . . . BL21 . . . . . . 16388 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16388 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.18mM NsR431C, 10mM DTT, 50uM DSS, 0.02% NaN3,200mM NaCl, 5mM CaCl2, 20mM MES, protease inhibitors added.' _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 NsR431C '[U-100% 13C; U-100% 15N]' . . 1 $NsR431C . . 1.18 . . mM 0.2 . . . 16388 1 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16388 1 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16388 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16388 1 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16388 1 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16388 1 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16388 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16388 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16388 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16388 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.18mM NsR431C, 10mM DTT, 50uM DSS, 0.02% NaN3,200mM NaCl, 5mM CaCl2, 20mM MES, protease inhibitors added.' _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 NsR431C '[U-100% 13C; U-100% 15N]' . . 1 $NsR431C . . 1.18 . . mM 0.2 . . . 16388 2 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16388 2 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16388 2 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16388 2 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16388 2 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16388 2 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16388 2 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16388 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16388 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.18mM NsR431C, 10mM DTT, 50uM DSS, 0.02% NaN3,200mM NaCl, 5mM CaCl2, 20mM MES, protease inhibitors added.' _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 NsR431C '[U-10% 13C; U-100% 15N]' . . 1 $NsR431C . . 1.18 . . mM 0.2 . . . 16388 3 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16388 3 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16388 3 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16388 3 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16388 3 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16388 3 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16388 3 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16388 3 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 16388 _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' 205 . mM 16388 1 pH 6.5 . pH 16388 1 pressure 1 . atm 16388 1 temperature 293 . K 16388 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16388 _Software.ID 1 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details 'Automated backbone assignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16388 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16388 1 'structure solution' 16388 1 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16388 _Software.ID 2 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details 'Automated NOESY assignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16388 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16388 2 'structure solution' 16388 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16388 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16388 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16388 3 'structure solution' 16388 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16388 _Software.ID 4 _Software.Name CNS _Software.Version 2.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16388 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16388 4 refinement 16388 4 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 16388 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16388 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16388 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16388 1 2 spectrometer_2 Bruker Avance . 800 . . . 16388 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 16388 _Experiment_list.ID 1 _Experiment_list.Details 'Data acquisition on B600 was performed using 35ul of 1.18mM sample and a 1.7mm microcryoprobe.' 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' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 3 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 4 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 5 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 6 '3D HNCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 7 '3D HN(CO)CA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 8 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 9 '3D 1H-13C NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 10 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 11 '2D 1H-15N HSQC' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 12 '2D 1H-13C HSQC' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 1 13 '2D 1H-15N HSQC' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16388 1 14 '2D 1H-13C HSQC' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16388 1 15 '3D 1H-13C NOESY' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16388 1 16 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16388 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 16388 _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 0.0 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16388 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . 1 $entry_citation . . 1 $entry_citation 16388 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16388 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 16388 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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' . . . 16388 1 2 '2D 1H-13C HSQC' . . . 16388 1 3 '3D CBCA(CO)NH' . . . 16388 1 4 '3D HNCACB' . . . 16388 1 5 '3D HNCO' . . . 16388 1 6 '3D HNCA' . . . 16388 1 7 '3D HN(CO)CA' . . . 16388 1 8 '3D HBHA(CO)NH' . . . 16388 1 10 '3D 1H-15N NOESY' . . . 16388 1 11 '2D 1H-15N HSQC' . . . 16388 1 12 '2D 1H-13C HSQC' . . . 16388 1 15 '3D 1H-13C NOESY' . . . 16388 1 16 '3D HCCH-TOCSY' . . . 16388 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $AutoAssign . . 16388 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 SER HA H 1 4.010 0.05 . 1 . . . . 1 Ser HA . 16388 1 2 . 1 1 1 1 SER HB2 H 1 3.834 0.05 . 2 . . . . 1 Ser HB2 . 16388 1 3 . 1 1 1 1 SER HB3 H 1 3.834 0.05 . 2 . . . . 1 Ser HB3 . 16388 1 4 . 1 1 1 1 SER C C 13 171.42 0.5 . 1 . . . . 1 Ser C . 16388 1 5 . 1 1 1 1 SER CA C 13 58.280 0.5 . 1 . . . . 1 Ser CA . 16388 1 6 . 1 1 1 1 SER CB C 13 65.31 0.5 . 1 . . . . 1 Ser CB . 16388 1 7 . 1 1 2 2 ILE H H 1 8.583 0.05 . 1 . . . . 2 Ile H . 16388 1 8 . 1 1 2 2 ILE HA H 1 5.061 0.05 . 1 . . . . 2 Ile HA . 16388 1 9 . 1 1 2 2 ILE HB H 1 1.818 0.05 . 1 . . . . 2 Ile HB . 16388 1 10 . 1 1 2 2 ILE HD11 H 1 0.823 0.05 . 1 . . . . 2 Ile HD1 . 16388 1 11 . 1 1 2 2 ILE HD12 H 1 0.823 0.05 . 1 . . . . 2 Ile HD1 . 16388 1 12 . 1 1 2 2 ILE HD13 H 1 0.823 0.05 . 1 . . . . 2 Ile HD1 . 16388 1 13 . 1 1 2 2 ILE HG12 H 1 1.042 0.05 . 2 . . . . 2 Ile HG12 . 16388 1 14 . 1 1 2 2 ILE HG13 H 1 1.563 0.05 . 2 . . . . 2 Ile HG13 . 16388 1 15 . 1 1 2 2 ILE HG21 H 1 0.800 0.05 . 1 . . . . 2 Ile HG2 . 16388 1 16 . 1 1 2 2 ILE HG22 H 1 0.800 0.05 . 1 . . . . 2 Ile HG2 . 16388 1 17 . 1 1 2 2 ILE HG23 H 1 0.800 0.05 . 1 . . . . 2 Ile HG2 . 16388 1 18 . 1 1 2 2 ILE C C 13 172.36 0.5 . 1 . . . . 2 Ile C . 16388 1 19 . 1 1 2 2 ILE CA C 13 58.83 0.5 . 1 . . . . 2 Ile CA . 16388 1 20 . 1 1 2 2 ILE CB C 13 40.36 0.5 . 1 . . . . 2 Ile CB . 16388 1 21 . 1 1 2 2 ILE CD1 C 13 14.029 0.5 . 1 . . . . 2 Ile CD1 . 16388 1 22 . 1 1 2 2 ILE CG1 C 13 28.90 0.5 . 1 . . . . 2 Ile CG1 . 16388 1 23 . 1 1 2 2 ILE CG2 C 13 18.41 0.5 . 1 . . . . 2 Ile CG2 . 16388 1 24 . 1 1 2 2 ILE N N 15 121.808 0.5 . 1 . . . . 2 Ile N . 16388 1 25 . 1 1 3 3 GLY H H 1 8.564 0.05 . 1 . . . . 3 Gly H . 16388 1 26 . 1 1 3 3 GLY HA2 H 1 3.447 0.05 . 2 . . . . 3 Gly HA2 . 16388 1 27 . 1 1 3 3 GLY HA3 H 1 4.934 0.05 . 2 . . . . 3 Gly HA3 . 16388 1 28 . 1 1 3 3 GLY C C 13 168.415 0.5 . 1 . . . . 3 Gly C . 16388 1 29 . 1 1 3 3 GLY CA C 13 44.59 0.5 . 1 . . . . 3 Gly CA . 16388 1 30 . 1 1 3 3 GLY N N 15 115.640 0.5 . 1 . . . . 3 Gly N . 16388 1 31 . 1 1 4 4 VAL H H 1 8.641 0.05 . 1 . . . . 4 Val H . 16388 1 32 . 1 1 4 4 VAL HA H 1 4.975 0.05 . 1 . . . . 4 Val HA . 16388 1 33 . 1 1 4 4 VAL HB H 1 1.98 0.05 . 1 . . . . 4 Val HB . 16388 1 34 . 1 1 4 4 VAL HG11 H 1 0.97 0.05 . 2 . . . . 4 Val HG1 . 16388 1 35 . 1 1 4 4 VAL HG12 H 1 0.97 0.05 . 2 . . . . 4 Val HG1 . 16388 1 36 . 1 1 4 4 VAL HG13 H 1 0.97 0.05 . 2 . . . . 4 Val HG1 . 16388 1 37 . 1 1 4 4 VAL HG21 H 1 0.742 0.05 . 2 . . . . 4 Val HG2 . 16388 1 38 . 1 1 4 4 VAL HG22 H 1 0.742 0.05 . 2 . . . . 4 Val HG2 . 16388 1 39 . 1 1 4 4 VAL HG23 H 1 0.742 0.05 . 2 . . . . 4 Val HG2 . 16388 1 40 . 1 1 4 4 VAL C C 13 170.45 0.5 . 1 . . . . 4 Val C . 16388 1 41 . 1 1 4 4 VAL CA C 13 60.98 0.5 . 1 . . . . 4 Val CA . 16388 1 42 . 1 1 4 4 VAL CB C 13 33.04 0.5 . 1 . . . . 4 Val CB . 16388 1 43 . 1 1 4 4 VAL CG1 C 13 20.25 0.5 . 2 . . . . 4 Val CG1 . 16388 1 44 . 1 1 4 4 VAL CG2 C 13 20.62 0.5 . 2 . . . . 4 Val CG2 . 16388 1 45 . 1 1 4 4 VAL N N 15 126.728 0.5 . 1 . . . . 4 Val N . 16388 1 46 . 1 1 5 5 PHE H H 1 9.396 0.05 . 1 . . . . 5 Phe H . 16388 1 47 . 1 1 5 5 PHE HA H 1 5.776 0.05 . 1 . . . . 5 Phe HA . 16388 1 48 . 1 1 5 5 PHE HB2 H 1 3.264 0.05 . 2 . . . . 5 Phe HB2 . 16388 1 49 . 1 1 5 5 PHE HB3 H 1 2.832 0.05 . 2 . . . . 5 Phe HB3 . 16388 1 50 . 1 1 5 5 PHE HD1 H 1 7.148 0.05 . 2 . . . . 5 Phe HD1 . 16388 1 51 . 1 1 5 5 PHE HD2 H 1 7.148 0.05 . 2 . . . . 5 Phe HD2 . 16388 1 52 . 1 1 5 5 PHE HE1 H 1 6.982 0.05 . 2 . . . . 5 Phe HE1 . 16388 1 53 . 1 1 5 5 PHE HE2 H 1 6.982 0.05 . 2 . . . . 5 Phe HE2 . 16388 1 54 . 1 1 5 5 PHE C C 13 170.96 0.5 . 1 . . . . 5 Phe C . 16388 1 55 . 1 1 5 5 PHE CA C 13 54.849 0.5 . 1 . . . . 5 Phe CA . 16388 1 56 . 1 1 5 5 PHE CB C 13 40.80 0.5 . 1 . . . . 5 Phe CB . 16388 1 57 . 1 1 5 5 PHE CD1 C 13 130.6 0.5 . 2 . . . . 5 Phe CD1 . 16388 1 58 . 1 1 5 5 PHE CD2 C 13 130.6 0.5 . 2 . . . . 5 Phe CD2 . 16388 1 59 . 1 1 5 5 PHE CE1 C 13 128.1 0.5 . 2 . . . . 5 Phe CE1 . 16388 1 60 . 1 1 5 5 PHE CE2 C 13 128.1 0.5 . 2 . . . . 5 Phe CE2 . 16388 1 61 . 1 1 5 5 PHE N N 15 125.262 0.5 . 1 . . . . 5 Phe N . 16388 1 62 . 1 1 6 6 TYR H H 1 8.448 0.05 . 1 . . . . 6 Tyr H . 16388 1 63 . 1 1 6 6 TYR HA H 1 4.973 0.05 . 1 . . . . 6 Tyr HA . 16388 1 64 . 1 1 6 6 TYR HB2 H 1 3.425 0.05 . 2 . . . . 6 Tyr HB2 . 16388 1 65 . 1 1 6 6 TYR HB3 H 1 3.166 0.05 . 2 . . . . 6 Tyr HB3 . 16388 1 66 . 1 1 6 6 TYR HD1 H 1 6.835 0.05 . 2 . . . . 6 Tyr HD1 . 16388 1 67 . 1 1 6 6 TYR HD2 H 1 6.835 0.05 . 2 . . . . 6 Tyr HD2 . 16388 1 68 . 1 1 6 6 TYR HE1 H 1 6.62 0.05 . 2 . . . . 6 Tyr HE1 . 16388 1 69 . 1 1 6 6 TYR HE2 H 1 6.62 0.05 . 2 . . . . 6 Tyr HE2 . 16388 1 70 . 1 1 6 6 TYR C C 13 169.12 0.5 . 1 . . . . 6 Tyr C . 16388 1 71 . 1 1 6 6 TYR CA C 13 56.114 0.5 . 1 . . . . 6 Tyr CA . 16388 1 72 . 1 1 6 6 TYR CB C 13 38.656 0.5 . 1 . . . . 6 Tyr CB . 16388 1 73 . 1 1 6 6 TYR CD1 C 13 133.1 0.5 . 2 . . . . 6 Tyr CD1 . 16388 1 74 . 1 1 6 6 TYR CD2 C 13 133.1 0.5 . 2 . . . . 6 Tyr CD2 . 16388 1 75 . 1 1 6 6 TYR CE1 C 13 117.5 0.5 . 2 . . . . 6 Tyr CE1 . 16388 1 76 . 1 1 6 6 TYR CE2 C 13 117.5 0.5 . 2 . . . . 6 Tyr CE2 . 16388 1 77 . 1 1 6 6 TYR N N 15 118.372 0.5 . 1 . . . . 6 Tyr N . 16388 1 78 . 1 1 7 7 VAL H H 1 9.935 0.05 . 1 . . . . 7 Val H . 16388 1 79 . 1 1 7 7 VAL HA H 1 4.10 0.05 . 1 . . . . 7 Val HA . 16388 1 80 . 1 1 7 7 VAL HB H 1 2.499 0.05 . 1 . . . . 7 Val HB . 16388 1 81 . 1 1 7 7 VAL HG11 H 1 0.839 0.05 . 2 . . . . 7 Val HG1 . 16388 1 82 . 1 1 7 7 VAL HG12 H 1 0.839 0.05 . 2 . . . . 7 Val HG1 . 16388 1 83 . 1 1 7 7 VAL HG13 H 1 0.839 0.05 . 2 . . . . 7 Val HG1 . 16388 1 84 . 1 1 7 7 VAL HG21 H 1 0.913 0.05 . 2 . . . . 7 Val HG2 . 16388 1 85 . 1 1 7 7 VAL HG22 H 1 0.913 0.05 . 2 . . . . 7 Val HG2 . 16388 1 86 . 1 1 7 7 VAL HG23 H 1 0.913 0.05 . 2 . . . . 7 Val HG2 . 16388 1 87 . 1 1 7 7 VAL CA C 13 62.02 0.5 . 1 . . . . 7 Val CA . 16388 1 88 . 1 1 7 7 VAL CB C 13 31.12 0.5 . 1 . . . . 7 Val CB . 16388 1 89 . 1 1 7 7 VAL CG1 C 13 22.4 0.5 . 2 . . . . 7 Val CG1 . 16388 1 90 . 1 1 7 7 VAL CG2 C 13 22.4 0.5 . 2 . . . . 7 Val CG2 . 16388 1 91 . 1 1 7 7 VAL N N 15 123.520 0.5 . 1 . . . . 7 Val N . 16388 1 92 . 1 1 8 8 SER HA H 1 4.368 0.05 . 1 . . . . 8 Ser HA . 16388 1 93 . 1 1 8 8 SER HB2 H 1 3.709 0.05 . 2 . . . . 8 Ser HB2 . 16388 1 94 . 1 1 8 8 SER HB3 H 1 3.744 0.05 . 2 . . . . 8 Ser HB3 . 16388 1 95 . 1 1 8 8 SER CA C 13 59.75 0.5 . 1 . . . . 8 Ser CA . 16388 1 96 . 1 1 8 8 SER CB C 13 62.894 0.5 . 1 . . . . 8 Ser CB . 16388 1 97 . 1 1 9 9 GLU HA H 1 4.02 0.05 . 1 . . . . 9 Glu HA . 16388 1 98 . 1 1 9 9 GLU HB2 H 1 2.31 0.05 . 2 . . . . 9 Glu HB2 . 16388 1 99 . 1 1 9 9 GLU HB3 H 1 2.31 0.05 . 2 . . . . 9 Glu HB3 . 16388 1 100 . 1 1 9 9 GLU HG2 H 1 2.36 0.05 . 2 . . . . 9 Glu HG2 . 16388 1 101 . 1 1 9 9 GLU HG3 H 1 2.27 0.05 . 2 . . . . 9 Glu HG3 . 16388 1 102 . 1 1 9 9 GLU C C 13 172.04 0.5 . 1 . . . . 9 Glu C . 16388 1 103 . 1 1 9 9 GLU CA C 13 58.32 0.5 . 1 . . . . 9 Glu CA . 16388 1 104 . 1 1 9 9 GLU CB C 13 27.72 0.5 . 1 . . . . 9 Glu CB . 16388 1 105 . 1 1 9 9 GLU CG C 13 37.21 0.5 . 1 . . . . 9 Glu CG . 16388 1 106 . 1 1 10 10 TYR H H 1 7.58 0.05 . 1 . . . . 10 Tyr H . 16388 1 107 . 1 1 10 10 TYR HA H 1 5.19 0.05 . 1 . . . . 10 Tyr HA . 16388 1 108 . 1 1 10 10 TYR HB2 H 1 3.10 0.05 . 2 . . . . 10 Tyr HB2 . 16388 1 109 . 1 1 10 10 TYR HB3 H 1 3.16 0.05 . 2 . . . . 10 Tyr HB3 . 16388 1 110 . 1 1 10 10 TYR HD1 H 1 7.237 0.05 . 2 . . . . 10 Tyr HD1 . 16388 1 111 . 1 1 10 10 TYR HD2 H 1 7.237 0.05 . 2 . . . . 10 Tyr HD2 . 16388 1 112 . 1 1 10 10 TYR HE1 H 1 6.89 0.05 . 2 . . . . 10 Tyr HE1 . 16388 1 113 . 1 1 10 10 TYR HE2 H 1 6.89 0.05 . 2 . . . . 10 Tyr HE2 . 16388 1 114 . 1 1 10 10 TYR C C 13 173.86 0.5 . 1 . . . . 10 Tyr C . 16388 1 115 . 1 1 10 10 TYR CA C 13 55.290 0.5 . 1 . . . . 10 Tyr CA . 16388 1 116 . 1 1 10 10 TYR CB C 13 38.17 0.5 . 1 . . . . 10 Tyr CB . 16388 1 117 . 1 1 10 10 TYR CD1 C 13 133.6 0.5 . 2 . . . . 10 Tyr CD1 . 16388 1 118 . 1 1 10 10 TYR CD2 C 13 133.6 0.5 . 2 . . . . 10 Tyr CD2 . 16388 1 119 . 1 1 10 10 TYR CE1 C 13 118.1 0.5 . 2 . . . . 10 Tyr CE1 . 16388 1 120 . 1 1 10 10 TYR CE2 C 13 118.1 0.5 . 2 . . . . 10 Tyr CE2 . 16388 1 121 . 1 1 10 10 TYR N N 15 119.1 0.5 . 1 . . . . 10 Tyr N . 16388 1 122 . 1 1 11 11 GLY H H 1 9.503 0.05 . 1 . . . . 11 Gly H . 16388 1 123 . 1 1 11 11 GLY HA2 H 1 3.569 0.05 . 2 . . . . 11 Gly HA2 . 16388 1 124 . 1 1 11 11 GLY HA3 H 1 2.888 0.05 . 2 . . . . 11 Gly HA3 . 16388 1 125 . 1 1 11 11 GLY C C 13 171.29 0.5 . 1 . . . . 11 Gly C . 16388 1 126 . 1 1 11 11 GLY CA C 13 46.502 0.5 . 1 . . . . 11 Gly CA . 16388 1 127 . 1 1 11 11 GLY N N 15 122.1 0.5 . 1 . . . . 11 Gly N . 16388 1 128 . 1 1 12 12 TYR H H 1 8.958 0.05 . 1 . . . . 12 Tyr H . 16388 1 129 . 1 1 12 12 TYR HA H 1 4.762 0.05 . 1 . . . . 12 Tyr HA . 16388 1 130 . 1 1 12 12 TYR HB2 H 1 3.519 0.05 . 2 . . . . 12 Tyr HB2 . 16388 1 131 . 1 1 12 12 TYR HB3 H 1 2.783 0.05 . 2 . . . . 12 Tyr HB3 . 16388 1 132 . 1 1 12 12 TYR HD1 H 1 7.269 0.05 . 2 . . . . 12 Tyr HD1 . 16388 1 133 . 1 1 12 12 TYR HD2 H 1 7.269 0.05 . 2 . . . . 12 Tyr HD2 . 16388 1 134 . 1 1 12 12 TYR HE1 H 1 6.88 0.05 . 2 . . . . 12 Tyr HE1 . 16388 1 135 . 1 1 12 12 TYR HE2 H 1 6.88 0.05 . 2 . . . . 12 Tyr HE2 . 16388 1 136 . 1 1 12 12 TYR C C 13 172.77 0.5 . 1 . . . . 12 Tyr C . 16388 1 137 . 1 1 12 12 TYR CA C 13 58.211 0.5 . 1 . . . . 12 Tyr CA . 16388 1 138 . 1 1 12 12 TYR CB C 13 36.064 0.5 . 1 . . . . 12 Tyr CB . 16388 1 139 . 1 1 12 12 TYR CD1 C 13 133.9 0.5 . 2 . . . . 12 Tyr CD1 . 16388 1 140 . 1 1 12 12 TYR CD2 C 13 133.9 0.5 . 2 . . . . 12 Tyr CD2 . 16388 1 141 . 1 1 12 12 TYR CE1 C 13 117.5 0.5 . 2 . . . . 12 Tyr CE1 . 16388 1 142 . 1 1 12 12 TYR CE2 C 13 117.5 0.5 . 2 . . . . 12 Tyr CE2 . 16388 1 143 . 1 1 12 12 TYR N N 15 126.049 0.5 . 1 . . . . 12 Tyr N . 16388 1 144 . 1 1 13 13 SER H H 1 8.357 0.05 . 1 . . . . 13 Ser H . 16388 1 145 . 1 1 13 13 SER HA H 1 4.385 0.05 . 1 . . . . 13 Ser HA . 16388 1 146 . 1 1 13 13 SER HB2 H 1 4.116 0.05 . 2 . . . . 13 Ser HB2 . 16388 1 147 . 1 1 13 13 SER HB3 H 1 4.385 0.05 . 2 . . . . 13 Ser HB3 . 16388 1 148 . 1 1 13 13 SER C C 13 171.02 0.5 . 1 . . . . 13 Ser C . 16388 1 149 . 1 1 13 13 SER CA C 13 64.84 0.5 . 1 . . . . 13 Ser CA . 16388 1 150 . 1 1 13 13 SER CB C 13 64.75 0.5 . 1 . . . . 13 Ser CB . 16388 1 151 . 1 1 13 13 SER N N 15 114.9 0.5 . 1 . . . . 13 Ser N . 16388 1 152 . 1 1 14 14 ASP H H 1 8.801 0.05 . 1 . . . . 14 Asp H . 16388 1 153 . 1 1 14 14 ASP HA H 1 4.203 0.05 . 1 . . . . 14 Asp HA . 16388 1 154 . 1 1 14 14 ASP HB2 H 1 2.633 0.05 . 2 . . . . 14 Asp HB2 . 16388 1 155 . 1 1 14 14 ASP HB3 H 1 2.74 0.05 . 2 . . . . 14 Asp HB3 . 16388 1 156 . 1 1 14 14 ASP C C 13 175.24 0.5 . 1 . . . . 14 Asp C . 16388 1 157 . 1 1 14 14 ASP CA C 13 58.277 0.5 . 1 . . . . 14 Asp CA . 16388 1 158 . 1 1 14 14 ASP CB C 13 40.514 0.5 . 1 . . . . 14 Asp CB . 16388 1 159 . 1 1 14 14 ASP N N 15 117.377 0.5 . 1 . . . . 14 Asp N . 16388 1 160 . 1 1 15 15 ARG H H 1 7.793 0.05 . 1 . . . . 15 Arg H . 16388 1 161 . 1 1 15 15 ARG HA H 1 3.94 0.05 . 1 . . . . 15 Arg HA . 16388 1 162 . 1 1 15 15 ARG HB2 H 1 1.99 0.05 . 2 . . . . 15 Arg HB2 . 16388 1 163 . 1 1 15 15 ARG HB3 H 1 1.863 0.05 . 2 . . . . 15 Arg HB3 . 16388 1 164 . 1 1 15 15 ARG HD2 H 1 3.13 0.05 . 2 . . . . 15 Arg HD2 . 16388 1 165 . 1 1 15 15 ARG HD3 H 1 3.13 0.05 . 2 . . . . 15 Arg HD3 . 16388 1 166 . 1 1 15 15 ARG HG2 H 1 1.74 0.05 . 2 . . . . 15 Arg HG2 . 16388 1 167 . 1 1 15 15 ARG HG3 H 1 1.54 0.05 . 2 . . . . 15 Arg HG3 . 16388 1 168 . 1 1 15 15 ARG CA C 13 58.87 0.5 . 1 . . . . 15 Arg CA . 16388 1 169 . 1 1 15 15 ARG CB C 13 30.55 0.5 . 1 . . . . 15 Arg CB . 16388 1 170 . 1 1 15 15 ARG CD C 13 43.3 0.5 . 1 . . . . 15 Arg CD . 16388 1 171 . 1 1 15 15 ARG CG C 13 27.71 0.5 . 1 . . . . 15 Arg CG . 16388 1 172 . 1 1 15 15 ARG N N 15 119.182 0.5 . 1 . . . . 15 Arg N . 16388 1 173 . 1 1 16 16 LEU H H 1 8.52 0.05 . 1 . . . . 16 Leu H . 16388 1 174 . 1 1 16 16 LEU HA H 1 4.014 0.05 . 1 . . . . 16 Leu HA . 16388 1 175 . 1 1 16 16 LEU HB2 H 1 1.434 0.05 . 2 . . . . 16 Leu HB2 . 16388 1 176 . 1 1 16 16 LEU HB3 H 1 0.712 0.05 . 2 . . . . 16 Leu HB3 . 16388 1 177 . 1 1 16 16 LEU HD11 H 1 0.762 0.05 . 2 . . . . 16 Leu HD1 . 16388 1 178 . 1 1 16 16 LEU HD12 H 1 0.762 0.05 . 2 . . . . 16 Leu HD1 . 16388 1 179 . 1 1 16 16 LEU HD13 H 1 0.762 0.05 . 2 . . . . 16 Leu HD1 . 16388 1 180 . 1 1 16 16 LEU HD21 H 1 0.541 0.05 . 2 . . . . 16 Leu HD2 . 16388 1 181 . 1 1 16 16 LEU HD22 H 1 0.541 0.05 . 2 . . . . 16 Leu HD2 . 16388 1 182 . 1 1 16 16 LEU HD23 H 1 0.541 0.05 . 2 . . . . 16 Leu HD2 . 16388 1 183 . 1 1 16 16 LEU HG H 1 1.02 0.05 . 1 . . . . 16 Leu HG . 16388 1 184 . 1 1 16 16 LEU C C 13 174.87 0.5 . 1 . . . . 16 Leu C . 16388 1 185 . 1 1 16 16 LEU CA C 13 58.316 0.5 . 1 . . . . 16 Leu CA . 16388 1 186 . 1 1 16 16 LEU CB C 13 41.820 0.5 . 1 . . . . 16 Leu CB . 16388 1 187 . 1 1 16 16 LEU CD1 C 13 25.203 0.5 . 2 . . . . 16 Leu CD1 . 16388 1 188 . 1 1 16 16 LEU CD2 C 13 25.01 0.5 . 2 . . . . 16 Leu CD2 . 16388 1 189 . 1 1 16 16 LEU CG C 13 28.3 0.5 . 1 . . . . 16 Leu CG . 16388 1 190 . 1 1 16 16 LEU N N 15 122.6 0.5 . 1 . . . . 16 Leu N . 16388 1 191 . 1 1 17 17 ALA H H 1 8.350 0.05 . 1 . . . . 17 Ala H . 16388 1 192 . 1 1 17 17 ALA HA H 1 3.256 0.05 . 1 . . . . 17 Ala HA . 16388 1 193 . 1 1 17 17 ALA HB1 H 1 0.695 0.05 . 1 . . . . 17 Ala HB . 16388 1 194 . 1 1 17 17 ALA HB2 H 1 0.695 0.05 . 1 . . . . 17 Ala HB . 16388 1 195 . 1 1 17 17 ALA HB3 H 1 0.695 0.05 . 1 . . . . 17 Ala HB . 16388 1 196 . 1 1 17 17 ALA C C 13 176.65 0.5 . 1 . . . . 17 Ala C . 16388 1 197 . 1 1 17 17 ALA CA C 13 55.152 0.5 . 1 . . . . 17 Ala CA . 16388 1 198 . 1 1 17 17 ALA CB C 13 17.567 0.5 . 1 . . . . 17 Ala CB . 16388 1 199 . 1 1 17 17 ALA N N 15 118.808 0.5 . 1 . . . . 17 Ala N . 16388 1 200 . 1 1 18 18 GLN H H 1 7.815 0.05 . 1 . . . . 18 Gln H . 16388 1 201 . 1 1 18 18 GLN HA H 1 3.740 0.05 . 1 . . . . 18 Gln HA . 16388 1 202 . 1 1 18 18 GLN HB2 H 1 2.143 0.05 . 2 . . . . 18 Gln HB2 . 16388 1 203 . 1 1 18 18 GLN HB3 H 1 1.959 0.05 . 2 . . . . 18 Gln HB3 . 16388 1 204 . 1 1 18 18 GLN HE21 H 1 7.378 0.05 . 2 . . . . 18 Gln HE21 . 16388 1 205 . 1 1 18 18 GLN HE22 H 1 6.887 0.05 . 2 . . . . 18 Gln HE22 . 16388 1 206 . 1 1 18 18 GLN HG2 H 1 2.324 0.05 . 2 . . . . 18 Gln HG2 . 16388 1 207 . 1 1 18 18 GLN HG3 H 1 2.324 0.05 . 2 . . . . 18 Gln HG3 . 16388 1 208 . 1 1 18 18 GLN C C 13 174.65 0.5 . 1 . . . . 18 Gln C . 16388 1 209 . 1 1 18 18 GLN CA C 13 58.497 0.5 . 1 . . . . 18 Gln CA . 16388 1 210 . 1 1 18 18 GLN CB C 13 28.313 0.5 . 1 . . . . 18 Gln CB . 16388 1 211 . 1 1 18 18 GLN CG C 13 33.77 0.5 . 1 . . . . 18 Gln CG . 16388 1 212 . 1 1 18 18 GLN N N 15 114.805 0.5 . 1 . . . . 18 Gln N . 16388 1 213 . 1 1 18 18 GLN NE2 N 15 113.6 0.5 . 1 . . . . 18 Gln NE2 . 16388 1 214 . 1 1 19 19 ALA H H 1 7.498 0.05 . 1 . . . . 19 Ala H . 16388 1 215 . 1 1 19 19 ALA HA H 1 4.207 0.05 . 1 . . . . 19 Ala HA . 16388 1 216 . 1 1 19 19 ALA HB1 H 1 1.681 0.05 . 1 . . . . 19 Ala HB . 16388 1 217 . 1 1 19 19 ALA HB2 H 1 1.681 0.05 . 1 . . . . 19 Ala HB . 16388 1 218 . 1 1 19 19 ALA HB3 H 1 1.681 0.05 . 1 . . . . 19 Ala HB . 16388 1 219 . 1 1 19 19 ALA C C 13 176.38 0.5 . 1 . . . . 19 Ala C . 16388 1 220 . 1 1 19 19 ALA CA C 13 55.325 0.5 . 1 . . . . 19 Ala CA . 16388 1 221 . 1 1 19 19 ALA CB C 13 18.813 0.5 . 1 . . . . 19 Ala CB . 16388 1 222 . 1 1 19 19 ALA N N 15 121.944 0.5 . 1 . . . . 19 Ala N . 16388 1 223 . 1 1 20 20 ILE H H 1 7.640 0.05 . 1 . . . . 20 Ile H . 16388 1 224 . 1 1 20 20 ILE HA H 1 3.672 0.05 . 1 . . . . 20 Ile HA . 16388 1 225 . 1 1 20 20 ILE HB H 1 1.712 0.05 . 1 . . . . 20 Ile HB . 16388 1 226 . 1 1 20 20 ILE HD11 H 1 0.340 0.05 . 1 . . . . 20 Ile HD1 . 16388 1 227 . 1 1 20 20 ILE HD12 H 1 0.340 0.05 . 1 . . . . 20 Ile HD1 . 16388 1 228 . 1 1 20 20 ILE HD13 H 1 0.340 0.05 . 1 . . . . 20 Ile HD1 . 16388 1 229 . 1 1 20 20 ILE HG12 H 1 0.702 0.05 . 2 . . . . 20 Ile HG12 . 16388 1 230 . 1 1 20 20 ILE HG13 H 1 1.596 0.05 . 2 . . . . 20 Ile HG13 . 16388 1 231 . 1 1 20 20 ILE HG21 H 1 0.76 0.05 . 1 . . . . 20 Ile HG2 . 16388 1 232 . 1 1 20 20 ILE HG22 H 1 0.76 0.05 . 1 . . . . 20 Ile HG2 . 16388 1 233 . 1 1 20 20 ILE HG23 H 1 0.76 0.05 . 1 . . . . 20 Ile HG2 . 16388 1 234 . 1 1 20 20 ILE C C 13 176.65 0.5 . 1 . . . . 20 Ile C . 16388 1 235 . 1 1 20 20 ILE CA C 13 65.30 0.5 . 1 . . . . 20 Ile CA . 16388 1 236 . 1 1 20 20 ILE CB C 13 38.127 0.5 . 1 . . . . 20 Ile CB . 16388 1 237 . 1 1 20 20 ILE CD1 C 13 14.36 0.5 . 1 . . . . 20 Ile CD1 . 16388 1 238 . 1 1 20 20 ILE CG1 C 13 28.46 0.5 . 1 . . . . 20 Ile CG1 . 16388 1 239 . 1 1 20 20 ILE CG2 C 13 16.69 0.5 . 1 . . . . 20 Ile CG2 . 16388 1 240 . 1 1 20 20 ILE N N 15 118.111 0.5 . 1 . . . . 20 Ile N . 16388 1 241 . 1 1 21 21 ILE H H 1 8.997 0.05 . 1 . . . . 21 Ile H . 16388 1 242 . 1 1 21 21 ILE HA H 1 3.417 0.05 . 1 . . . . 21 Ile HA . 16388 1 243 . 1 1 21 21 ILE HB H 1 1.904 0.05 . 1 . . . . 21 Ile HB . 16388 1 244 . 1 1 21 21 ILE HD11 H 1 0.75 0.05 . 1 . . . . 21 Ile HD1 . 16388 1 245 . 1 1 21 21 ILE HD12 H 1 0.75 0.05 . 1 . . . . 21 Ile HD1 . 16388 1 246 . 1 1 21 21 ILE HD13 H 1 0.75 0.05 . 1 . . . . 21 Ile HD1 . 16388 1 247 . 1 1 21 21 ILE HG21 H 1 0.88 0.05 . 1 . . . . 21 Ile HG2 . 16388 1 248 . 1 1 21 21 ILE HG22 H 1 0.88 0.05 . 1 . . . . 21 Ile HG2 . 16388 1 249 . 1 1 21 21 ILE HG23 H 1 0.88 0.05 . 1 . . . . 21 Ile HG2 . 16388 1 250 . 1 1 21 21 ILE C C 13 175.33 0.5 . 1 . . . . 21 Ile C . 16388 1 251 . 1 1 21 21 ILE CA C 13 66.444 0.5 . 1 . . . . 21 Ile CA . 16388 1 252 . 1 1 21 21 ILE CB C 13 38.032 0.5 . 1 . . . . 21 Ile CB . 16388 1 253 . 1 1 21 21 ILE CD1 C 13 13.85 0.5 . 1 . . . . 21 Ile CD1 . 16388 1 254 . 1 1 21 21 ILE CG2 C 13 17.2 0.5 . 1 . . . . 21 Ile CG2 . 16388 1 255 . 1 1 21 21 ILE N N 15 120.680 0.5 . 1 . . . . 21 Ile N . 16388 1 256 . 1 1 22 22 ASN H H 1 8.826 0.05 . 1 . . . . 22 Asn H . 16388 1 257 . 1 1 22 22 ASN HA H 1 4.399 0.05 . 1 . . . . 22 Asn HA . 16388 1 258 . 1 1 22 22 ASN HB2 H 1 2.752 0.05 . 2 . . . . 22 Asn HB2 . 16388 1 259 . 1 1 22 22 ASN HB3 H 1 3.100 0.05 . 2 . . . . 22 Asn HB3 . 16388 1 260 . 1 1 22 22 ASN HD21 H 1 7.719 0.05 . 2 . . . . 22 Asn HD21 . 16388 1 261 . 1 1 22 22 ASN HD22 H 1 6.881 0.05 . 2 . . . . 22 Asn HD22 . 16388 1 262 . 1 1 22 22 ASN C C 13 175.78 0.5 . 1 . . . . 22 Asn C . 16388 1 263 . 1 1 22 22 ASN CA C 13 56.167 0.5 . 1 . . . . 22 Asn CA . 16388 1 264 . 1 1 22 22 ASN CB C 13 37.32 0.5 . 1 . . . . 22 Asn CB . 16388 1 265 . 1 1 22 22 ASN N N 15 121.865 0.5 . 1 . . . . 22 Asn N . 16388 1 266 . 1 1 22 22 ASN ND2 N 15 111.5 0.5 . 1 . . . . 22 Asn ND2 . 16388 1 267 . 1 1 23 23 GLY H H 1 7.887 0.05 . 1 . . . . 23 Gly H . 16388 1 268 . 1 1 23 23 GLY HA2 H 1 4.560 0.05 . 2 . . . . 23 Gly HA2 . 16388 1 269 . 1 1 23 23 GLY HA3 H 1 3.721 0.05 . 2 . . . . 23 Gly HA3 . 16388 1 270 . 1 1 23 23 GLY C C 13 173.09 0.5 . 1 . . . . 23 Gly C . 16388 1 271 . 1 1 23 23 GLY CA C 13 47.931 0.5 . 1 . . . . 23 Gly CA . 16388 1 272 . 1 1 23 23 GLY N N 15 107.048 0.5 . 1 . . . . 23 Gly N . 16388 1 273 . 1 1 24 24 ILE H H 1 8.276 0.05 . 1 . . . . 24 Ile H . 16388 1 274 . 1 1 24 24 ILE HA H 1 3.455 0.05 . 1 . . . . 24 Ile HA . 16388 1 275 . 1 1 24 24 ILE HB H 1 1.824 0.05 . 1 . . . . 24 Ile HB . 16388 1 276 . 1 1 24 24 ILE HD11 H 1 0.726 0.05 . 1 . . . . 24 Ile HD1 . 16388 1 277 . 1 1 24 24 ILE HD12 H 1 0.726 0.05 . 1 . . . . 24 Ile HD1 . 16388 1 278 . 1 1 24 24 ILE HD13 H 1 0.726 0.05 . 1 . . . . 24 Ile HD1 . 16388 1 279 . 1 1 24 24 ILE HG12 H 1 1.89 0.05 . 2 . . . . 24 Ile HG12 . 16388 1 280 . 1 1 24 24 ILE HG13 H 1 0.91 0.05 . 2 . . . . 24 Ile HG13 . 16388 1 281 . 1 1 24 24 ILE HG21 H 1 0.708 0.05 . 1 . . . . 24 Ile HG2 . 16388 1 282 . 1 1 24 24 ILE HG22 H 1 0.708 0.05 . 1 . . . . 24 Ile HG2 . 16388 1 283 . 1 1 24 24 ILE HG23 H 1 0.708 0.05 . 1 . . . . 24 Ile HG2 . 16388 1 284 . 1 1 24 24 ILE C C 13 177.88 0.5 . 1 . . . . 24 Ile C . 16388 1 285 . 1 1 24 24 ILE CA C 13 66.01 0.5 . 1 . . . . 24 Ile CA . 16388 1 286 . 1 1 24 24 ILE CB C 13 38.8 0.5 . 1 . . . . 24 Ile CB . 16388 1 287 . 1 1 24 24 ILE CD1 C 13 15.294 0.5 . 1 . . . . 24 Ile CD1 . 16388 1 288 . 1 1 24 24 ILE CG1 C 13 28.78 0.5 . 1 . . . . 24 Ile CG1 . 16388 1 289 . 1 1 24 24 ILE CG2 C 13 19.541 0.5 . 1 . . . . 24 Ile CG2 . 16388 1 290 . 1 1 24 24 ILE N N 15 122.256 0.5 . 1 . . . . 24 Ile N . 16388 1 291 . 1 1 25 25 THR H H 1 9.312 0.05 . 1 . . . . 25 Thr H . 16388 1 292 . 1 1 25 25 THR HA H 1 4.215 0.05 . 1 . . . . 25 Thr HA . 16388 1 293 . 1 1 25 25 THR HB H 1 4.375 0.05 . 1 . . . . 25 Thr HB . 16388 1 294 . 1 1 25 25 THR HG21 H 1 1.345 0.05 . 1 . . . . 25 Thr HG2 . 16388 1 295 . 1 1 25 25 THR HG22 H 1 1.345 0.05 . 1 . . . . 25 Thr HG2 . 16388 1 296 . 1 1 25 25 THR HG23 H 1 1.345 0.05 . 1 . . . . 25 Thr HG2 . 16388 1 297 . 1 1 25 25 THR C C 13 175.25 0.5 . 1 . . . . 25 Thr C . 16388 1 298 . 1 1 25 25 THR CA C 13 66.12 0.5 . 1 . . . . 25 Thr CA . 16388 1 299 . 1 1 25 25 THR CB C 13 69.12 0.5 . 1 . . . . 25 Thr CB . 16388 1 300 . 1 1 25 25 THR CG2 C 13 21.43 0.5 . 1 . . . . 25 Thr CG2 . 16388 1 301 . 1 1 25 25 THR N N 15 115.780 0.5 . 1 . . . . 25 Thr N . 16388 1 302 . 1 1 26 26 LYS H H 1 7.462 0.05 . 1 . . . . 26 Lys H . 16388 1 303 . 1 1 26 26 LYS HA H 1 4.192 0.05 . 1 . . . . 26 Lys HA . 16388 1 304 . 1 1 26 26 LYS HB2 H 1 1.994 0.05 . 2 . . . . 26 Lys HB2 . 16388 1 305 . 1 1 26 26 LYS HB3 H 1 1.994 0.05 . 2 . . . . 26 Lys HB3 . 16388 1 306 . 1 1 26 26 LYS HD2 H 1 1.415 0.05 . 2 . . . . 26 Lys HD2 . 16388 1 307 . 1 1 26 26 LYS HD3 H 1 1.552 0.05 . 2 . . . . 26 Lys HD3 . 16388 1 308 . 1 1 26 26 LYS HE2 H 1 2.808 0.05 . 2 . . . . 26 Lys HE2 . 16388 1 309 . 1 1 26 26 LYS HE3 H 1 2.807 0.05 . 2 . . . . 26 Lys HE3 . 16388 1 310 . 1 1 26 26 LYS HG2 H 1 1.555 0.05 . 2 . . . . 26 Lys HG2 . 16388 1 311 . 1 1 26 26 LYS HG3 H 1 1.688 0.05 . 2 . . . . 26 Lys HG3 . 16388 1 312 . 1 1 26 26 LYS C C 13 174.94 0.5 . 1 . . . . 26 Lys C . 16388 1 313 . 1 1 26 26 LYS CA C 13 59.554 0.5 . 1 . . . . 26 Lys CA . 16388 1 314 . 1 1 26 26 LYS CB C 13 32.388 0.5 . 1 . . . . 26 Lys CB . 16388 1 315 . 1 1 26 26 LYS CD C 13 29.48 0.5 . 1 . . . . 26 Lys CD . 16388 1 316 . 1 1 26 26 LYS CE C 13 42.21 0.5 . 1 . . . . 26 Lys CE . 16388 1 317 . 1 1 26 26 LYS CG C 13 26.00 0.5 . 1 . . . . 26 Lys CG . 16388 1 318 . 1 1 26 26 LYS N N 15 122.102 0.5 . 1 . . . . 26 Lys N . 16388 1 319 . 1 1 27 27 THR H H 1 7.828 0.05 . 1 . . . . 27 Thr H . 16388 1 320 . 1 1 27 27 THR HA H 1 4.477 0.05 . 1 . . . . 27 Thr HA . 16388 1 321 . 1 1 27 27 THR HB H 1 4.361 0.05 . 1 . . . . 27 Thr HB . 16388 1 322 . 1 1 27 27 THR HG21 H 1 1.60 0.05 . 1 . . . . 27 Thr HG2 . 16388 1 323 . 1 1 27 27 THR HG22 H 1 1.60 0.05 . 1 . . . . 27 Thr HG2 . 16388 1 324 . 1 1 27 27 THR HG23 H 1 1.60 0.05 . 1 . . . . 27 Thr HG2 . 16388 1 325 . 1 1 27 27 THR C C 13 172.94 0.5 . 1 . . . . 27 Thr C . 16388 1 326 . 1 1 27 27 THR CA C 13 62.795 0.5 . 1 . . . . 27 Thr CA . 16388 1 327 . 1 1 27 27 THR CB C 13 70.47 0.5 . 1 . . . . 27 Thr CB . 16388 1 328 . 1 1 27 27 THR CG2 C 13 22.97 0.5 . 1 . . . . 27 Thr CG2 . 16388 1 329 . 1 1 27 27 THR N N 15 108.013 0.5 . 1 . . . . 27 Thr N . 16388 1 330 . 1 1 28 28 GLY H H 1 7.849 0.05 . 1 . . . . 28 Gly H . 16388 1 331 . 1 1 28 28 GLY HA2 H 1 4.233 0.05 . 2 . . . . 28 Gly HA2 . 16388 1 332 . 1 1 28 28 GLY HA3 H 1 3.793 0.05 . 2 . . . . 28 Gly HA3 . 16388 1 333 . 1 1 28 28 GLY CA C 13 45.272 0.5 . 1 . . . . 28 Gly CA . 16388 1 334 . 1 1 28 28 GLY N N 15 108.857 0.5 . 1 . . . . 28 Gly N . 16388 1 335 . 1 1 29 29 VAL H H 1 6.812 0.05 . 1 . . . . 29 Val H . 16388 1 336 . 1 1 29 29 VAL HA H 1 3.897 0.05 . 1 . . . . 29 Val HA . 16388 1 337 . 1 1 29 29 VAL HB H 1 1.66 0.05 . 1 . . . . 29 Val HB . 16388 1 338 . 1 1 29 29 VAL HG11 H 1 1.162 0.05 . 2 . . . . 29 Val HG1 . 16388 1 339 . 1 1 29 29 VAL HG12 H 1 1.162 0.05 . 2 . . . . 29 Val HG1 . 16388 1 340 . 1 1 29 29 VAL HG13 H 1 1.162 0.05 . 2 . . . . 29 Val HG1 . 16388 1 341 . 1 1 29 29 VAL HG21 H 1 0.970 0.05 . 2 . . . . 29 Val HG2 . 16388 1 342 . 1 1 29 29 VAL HG22 H 1 0.970 0.05 . 2 . . . . 29 Val HG2 . 16388 1 343 . 1 1 29 29 VAL HG23 H 1 0.970 0.05 . 2 . . . . 29 Val HG2 . 16388 1 344 . 1 1 29 29 VAL C C 13 172.01 0.5 . 1 . . . . 29 Val C . 16388 1 345 . 1 1 29 29 VAL CA C 13 62.437 0.5 . 1 . . . . 29 Val CA . 16388 1 346 . 1 1 29 29 VAL CB C 13 33.18 0.5 . 1 . . . . 29 Val CB . 16388 1 347 . 1 1 29 29 VAL CG1 C 13 22.26 0.5 . 2 . . . . 29 Val CG1 . 16388 1 348 . 1 1 29 29 VAL CG2 C 13 23.17 0.5 . 2 . . . . 29 Val CG2 . 16388 1 349 . 1 1 29 29 VAL N N 15 122.076 0.5 . 1 . . . . 29 Val N . 16388 1 350 . 1 1 30 30 GLY H H 1 8.516 0.05 . 1 . . . . 30 Gly H . 16388 1 351 . 1 1 30 30 GLY HA2 H 1 4.13 0.05 . 2 . . . . 30 Gly HA2 . 16388 1 352 . 1 1 30 30 GLY HA3 H 1 3.712 0.05 . 2 . . . . 30 Gly HA3 . 16388 1 353 . 1 1 30 30 GLY CA C 13 44.919 0.5 . 1 . . . . 30 Gly CA . 16388 1 354 . 1 1 30 30 GLY N N 15 113.400 0.5 . 1 . . . . 30 Gly N . 16388 1 355 . 1 1 31 31 VAL H H 1 8.031 0.05 . 1 . . . . 31 Val H . 16388 1 356 . 1 1 31 31 VAL HA H 1 5.433 0.05 . 1 . . . . 31 Val HA . 16388 1 357 . 1 1 31 31 VAL HB H 1 1.856 0.05 . 1 . . . . 31 Val HB . 16388 1 358 . 1 1 31 31 VAL HG11 H 1 0.82 0.05 . 2 . . . . 31 Val HG1 . 16388 1 359 . 1 1 31 31 VAL HG12 H 1 0.82 0.05 . 2 . . . . 31 Val HG1 . 16388 1 360 . 1 1 31 31 VAL HG13 H 1 0.82 0.05 . 2 . . . . 31 Val HG1 . 16388 1 361 . 1 1 31 31 VAL HG21 H 1 0.825 0.05 . 2 . . . . 31 Val HG2 . 16388 1 362 . 1 1 31 31 VAL HG22 H 1 0.825 0.05 . 2 . . . . 31 Val HG2 . 16388 1 363 . 1 1 31 31 VAL HG23 H 1 0.825 0.05 . 2 . . . . 31 Val HG2 . 16388 1 364 . 1 1 31 31 VAL C C 13 172.49 0.5 . 1 . . . . 31 Val C . 16388 1 365 . 1 1 31 31 VAL CA C 13 59.15 0.5 . 1 . . . . 31 Val CA . 16388 1 366 . 1 1 31 31 VAL CB C 13 36.01 0.5 . 1 . . . . 31 Val CB . 16388 1 367 . 1 1 31 31 VAL CG1 C 13 22.44 0.5 . 2 . . . . 31 Val CG1 . 16388 1 368 . 1 1 31 31 VAL CG2 C 13 20.89 0.5 . 2 . . . . 31 Val CG2 . 16388 1 369 . 1 1 31 31 VAL N N 15 113.990 0.5 . 1 . . . . 31 Val N . 16388 1 370 . 1 1 32 32 ASP H H 1 8.556 0.05 . 1 . . . . 32 Asp H . 16388 1 371 . 1 1 32 32 ASP HA H 1 4.943 0.05 . 1 . . . . 32 Asp HA . 16388 1 372 . 1 1 32 32 ASP HB2 H 1 2.400 0.05 . 2 . . . . 32 Asp HB2 . 16388 1 373 . 1 1 32 32 ASP HB3 H 1 2.238 0.05 . 2 . . . . 32 Asp HB3 . 16388 1 374 . 1 1 32 32 ASP CA C 13 54.070 0.5 . 1 . . . . 32 Asp CA . 16388 1 375 . 1 1 32 32 ASP CB C 13 45.591 0.5 . 1 . . . . 32 Asp CB . 16388 1 376 . 1 1 32 32 ASP N N 15 124.784 0.5 . 1 . . . . 32 Asp N . 16388 1 377 . 1 1 33 33 VAL H H 1 8.629 0.05 . 1 . . . . 33 Val H . 16388 1 378 . 1 1 33 33 VAL HA H 1 4.775 0.05 . 1 . . . . 33 Val HA . 16388 1 379 . 1 1 33 33 VAL HB H 1 1.92 0.05 . 1 . . . . 33 Val HB . 16388 1 380 . 1 1 33 33 VAL HG11 H 1 0.898 0.05 . 2 . . . . 33 Val HG1 . 16388 1 381 . 1 1 33 33 VAL HG12 H 1 0.898 0.05 . 2 . . . . 33 Val HG1 . 16388 1 382 . 1 1 33 33 VAL HG13 H 1 0.898 0.05 . 2 . . . . 33 Val HG1 . 16388 1 383 . 1 1 33 33 VAL HG21 H 1 0.898 0.05 . 2 . . . . 33 Val HG2 . 16388 1 384 . 1 1 33 33 VAL HG22 H 1 0.898 0.05 . 2 . . . . 33 Val HG2 . 16388 1 385 . 1 1 33 33 VAL HG23 H 1 0.898 0.05 . 2 . . . . 33 Val HG2 . 16388 1 386 . 1 1 33 33 VAL C C 13 173.20 0.5 . 1 . . . . 33 Val C . 16388 1 387 . 1 1 33 33 VAL CA C 13 61.46 0.5 . 1 . . . . 33 Val CA . 16388 1 388 . 1 1 33 33 VAL CB C 13 33.510 0.5 . 1 . . . . 33 Val CB . 16388 1 389 . 1 1 33 33 VAL CG1 C 13 21.98 0.5 . 2 . . . . 33 Val CG1 . 16388 1 390 . 1 1 33 33 VAL CG2 C 13 21.98 0.5 . 2 . . . . 33 Val CG2 . 16388 1 391 . 1 1 33 33 VAL N N 15 122.502 0.5 . 1 . . . . 33 Val N . 16388 1 392 . 1 1 34 34 VAL H H 1 9.031 0.05 . 1 . . . . 34 Val H . 16388 1 393 . 1 1 34 34 VAL HA H 1 4.076 0.05 . 1 . . . . 34 Val HA . 16388 1 394 . 1 1 34 34 VAL HB H 1 1.910 0.05 . 1 . . . . 34 Val HB . 16388 1 395 . 1 1 34 34 VAL HG11 H 1 0.685 0.05 . 2 . . . . 34 Val HG1 . 16388 1 396 . 1 1 34 34 VAL HG12 H 1 0.685 0.05 . 2 . . . . 34 Val HG1 . 16388 1 397 . 1 1 34 34 VAL HG13 H 1 0.685 0.05 . 2 . . . . 34 Val HG1 . 16388 1 398 . 1 1 34 34 VAL HG21 H 1 0.856 0.05 . 2 . . . . 34 Val HG2 . 16388 1 399 . 1 1 34 34 VAL HG22 H 1 0.856 0.05 . 2 . . . . 34 Val HG2 . 16388 1 400 . 1 1 34 34 VAL HG23 H 1 0.856 0.05 . 2 . . . . 34 Val HG2 . 16388 1 401 . 1 1 34 34 VAL C C 13 170.45 0.5 . 1 . . . . 34 Val C . 16388 1 402 . 1 1 34 34 VAL CA C 13 61.745 0.5 . 1 . . . . 34 Val CA . 16388 1 403 . 1 1 34 34 VAL CB C 13 35.45 0.5 . 1 . . . . 34 Val CB . 16388 1 404 . 1 1 34 34 VAL CG1 C 13 21.587 0.5 . 2 . . . . 34 Val CG1 . 16388 1 405 . 1 1 34 34 VAL CG2 C 13 20.92 0.5 . 2 . . . . 34 Val CG2 . 16388 1 406 . 1 1 34 34 VAL N N 15 129.263 0.5 . 1 . . . . 34 Val N . 16388 1 407 . 1 1 35 35 ASP H H 1 8.125 0.05 . 1 . . . . 35 Asp H . 16388 1 408 . 1 1 35 35 ASP HA H 1 4.937 0.05 . 1 . . . . 35 Asp HA . 16388 1 409 . 1 1 35 35 ASP HB2 H 1 2.773 0.05 . 2 . . . . 35 Asp HB2 . 16388 1 410 . 1 1 35 35 ASP HB3 H 1 2.44 0.05 . 2 . . . . 35 Asp HB3 . 16388 1 411 . 1 1 35 35 ASP C C 13 174.91 0.5 . 1 . . . . 35 Asp C . 16388 1 412 . 1 1 35 35 ASP CA C 13 51.257 0.5 . 1 . . . . 35 Asp CA . 16388 1 413 . 1 1 35 35 ASP CB C 13 40.362 0.5 . 1 . . . . 35 Asp CB . 16388 1 414 . 1 1 35 35 ASP N N 15 124.625 0.5 . 1 . . . . 35 Asp N . 16388 1 415 . 1 1 36 36 LEU H H 1 9.140 0.05 . 1 . . . . 36 Leu H . 16388 1 416 . 1 1 36 36 LEU HA H 1 4.025 0.05 . 1 . . . . 36 Leu HA . 16388 1 417 . 1 1 36 36 LEU HB2 H 1 1.509 0.05 . 2 . . . . 36 Leu HB2 . 16388 1 418 . 1 1 36 36 LEU HB3 H 1 1.400 0.05 . 2 . . . . 36 Leu HB3 . 16388 1 419 . 1 1 36 36 LEU HD11 H 1 0.76 0.05 . 2 . . . . 36 Leu HD1 . 16388 1 420 . 1 1 36 36 LEU HD12 H 1 0.76 0.05 . 2 . . . . 36 Leu HD1 . 16388 1 421 . 1 1 36 36 LEU HD13 H 1 0.76 0.05 . 2 . . . . 36 Leu HD1 . 16388 1 422 . 1 1 36 36 LEU HD21 H 1 0.76 0.05 . 2 . . . . 36 Leu HD2 . 16388 1 423 . 1 1 36 36 LEU HD22 H 1 0.76 0.05 . 2 . . . . 36 Leu HD2 . 16388 1 424 . 1 1 36 36 LEU HD23 H 1 0.76 0.05 . 2 . . . . 36 Leu HD2 . 16388 1 425 . 1 1 36 36 LEU HG H 1 1.765 0.05 . 1 . . . . 36 Leu HG . 16388 1 426 . 1 1 36 36 LEU C C 13 174.20 0.5 . 1 . . . . 36 Leu C . 16388 1 427 . 1 1 36 36 LEU CA C 13 55.679 0.5 . 1 . . . . 36 Leu CA . 16388 1 428 . 1 1 36 36 LEU CB C 13 42.564 0.5 . 1 . . . . 36 Leu CB . 16388 1 429 . 1 1 36 36 LEU CD1 C 13 25.203 0.5 . 2 . . . . 36 Leu CD1 . 16388 1 430 . 1 1 36 36 LEU CD2 C 13 25.203 0.5 . 2 . . . . 36 Leu CD2 . 16388 1 431 . 1 1 36 36 LEU CG C 13 26.81 0.5 . 1 . . . . 36 Leu CG . 16388 1 432 . 1 1 36 36 LEU N N 15 126.146 0.5 . 1 . . . . 36 Leu N . 16388 1 433 . 1 1 37 37 GLY H H 1 8.812 0.05 . 1 . . . . 37 Gly H . 16388 1 434 . 1 1 37 37 GLY HA2 H 1 4.081 0.05 . 2 . . . . 37 Gly HA2 . 16388 1 435 . 1 1 37 37 GLY HA3 H 1 3.879 0.05 . 2 . . . . 37 Gly HA3 . 16388 1 436 . 1 1 37 37 GLY CA C 13 45.078 0.5 . 1 . . . . 37 Gly CA . 16388 1 437 . 1 1 37 37 GLY N N 15 104.350 0.5 . 1 . . . . 37 Gly N . 16388 1 438 . 1 1 38 38 ALA H H 1 7.163 0.05 . 1 . . . . 38 Ala H . 16388 1 439 . 1 1 38 38 ALA HA H 1 4.569 0.05 . 1 . . . . 38 Ala HA . 16388 1 440 . 1 1 38 38 ALA HB1 H 1 1.432 0.05 . 1 . . . . 38 Ala HB . 16388 1 441 . 1 1 38 38 ALA HB2 H 1 1.432 0.05 . 1 . . . . 38 Ala HB . 16388 1 442 . 1 1 38 38 ALA HB3 H 1 1.432 0.05 . 1 . . . . 38 Ala HB . 16388 1 443 . 1 1 38 38 ALA C C 13 172.98 0.5 . 1 . . . . 38 Ala C . 16388 1 444 . 1 1 38 38 ALA CA C 13 50.15 0.5 . 1 . . . . 38 Ala CA . 16388 1 445 . 1 1 38 38 ALA CB C 13 20.299 0.5 . 1 . . . . 38 Ala CB . 16388 1 446 . 1 1 38 38 ALA N N 15 123.925 0.5 . 1 . . . . 38 Ala N . 16388 1 447 . 1 1 39 39 ALA H H 1 8.041 0.05 . 1 . . . . 39 Ala H . 16388 1 448 . 1 1 39 39 ALA HA H 1 4.327 0.05 . 1 . . . . 39 Ala HA . 16388 1 449 . 1 1 39 39 ALA HB1 H 1 1.319 0.05 . 1 . . . . 39 Ala HB . 16388 1 450 . 1 1 39 39 ALA HB2 H 1 1.319 0.05 . 1 . . . . 39 Ala HB . 16388 1 451 . 1 1 39 39 ALA HB3 H 1 1.319 0.05 . 1 . . . . 39 Ala HB . 16388 1 452 . 1 1 39 39 ALA C C 13 174.92 0.5 . 1 . . . . 39 Ala C . 16388 1 453 . 1 1 39 39 ALA CA C 13 52.609 0.5 . 1 . . . . 39 Ala CA . 16388 1 454 . 1 1 39 39 ALA CB C 13 17.489 0.5 . 1 . . . . 39 Ala CB . 16388 1 455 . 1 1 39 39 ALA N N 15 122.366 0.5 . 1 . . . . 39 Ala N . 16388 1 456 . 1 1 40 40 VAL H H 1 8.144 0.05 . 1 . . . . 40 Val H . 16388 1 457 . 1 1 40 40 VAL HA H 1 4.171 0.05 . 1 . . . . 40 Val HA . 16388 1 458 . 1 1 40 40 VAL HB H 1 1.988 0.05 . 1 . . . . 40 Val HB . 16388 1 459 . 1 1 40 40 VAL HG11 H 1 0.899 0.05 . 2 . . . . 40 Val HG1 . 16388 1 460 . 1 1 40 40 VAL HG12 H 1 0.899 0.05 . 2 . . . . 40 Val HG1 . 16388 1 461 . 1 1 40 40 VAL HG13 H 1 0.899 0.05 . 2 . . . . 40 Val HG1 . 16388 1 462 . 1 1 40 40 VAL HG21 H 1 0.865 0.05 . 2 . . . . 40 Val HG2 . 16388 1 463 . 1 1 40 40 VAL HG22 H 1 0.865 0.05 . 2 . . . . 40 Val HG2 . 16388 1 464 . 1 1 40 40 VAL HG23 H 1 0.865 0.05 . 2 . . . . 40 Val HG2 . 16388 1 465 . 1 1 40 40 VAL C C 13 171.90 0.5 . 1 . . . . 40 Val C . 16388 1 466 . 1 1 40 40 VAL CA C 13 60.88 0.5 . 1 . . . . 40 Val CA . 16388 1 467 . 1 1 40 40 VAL CB C 13 34.422 0.5 . 1 . . . . 40 Val CB . 16388 1 468 . 1 1 40 40 VAL CG1 C 13 21.3 0.5 . 2 . . . . 40 Val CG1 . 16388 1 469 . 1 1 40 40 VAL CG2 C 13 22.105 0.5 . 2 . . . . 40 Val CG2 . 16388 1 470 . 1 1 40 40 VAL N N 15 121.502 0.5 . 1 . . . . 40 Val N . 16388 1 471 . 1 1 41 41 ASP H H 1 8.625 0.05 . 1 . . . . 41 Asp H . 16388 1 472 . 1 1 41 41 ASP HA H 1 4.693 0.05 . 1 . . . . 41 Asp HA . 16388 1 473 . 1 1 41 41 ASP HB2 H 1 2.884 0.05 . 2 . . . . 41 Asp HB2 . 16388 1 474 . 1 1 41 41 ASP HB3 H 1 2.55 0.05 . 2 . . . . 41 Asp HB3 . 16388 1 475 . 1 1 41 41 ASP C C 13 174.17 0.5 . 1 . . . . 41 Asp C . 16388 1 476 . 1 1 41 41 ASP CA C 13 53.222 0.5 . 1 . . . . 41 Asp CA . 16388 1 477 . 1 1 41 41 ASP CB C 13 41.703 0.5 . 1 . . . . 41 Asp CB . 16388 1 478 . 1 1 41 41 ASP N N 15 126.238 0.5 . 1 . . . . 41 Asp N . 16388 1 479 . 1 1 42 42 LEU H H 1 8.907 0.05 . 1 . . . . 42 Leu H . 16388 1 480 . 1 1 42 42 LEU HA H 1 3.993 0.05 . 1 . . . . 42 Leu HA . 16388 1 481 . 1 1 42 42 LEU HB2 H 1 1.530 0.05 . 2 . . . . 42 Leu HB2 . 16388 1 482 . 1 1 42 42 LEU HB3 H 1 1.821 0.05 . 2 . . . . 42 Leu HB3 . 16388 1 483 . 1 1 42 42 LEU HD11 H 1 0.847 0.05 . 1 . . . . 42 Leu HD1 . 16388 1 484 . 1 1 42 42 LEU HD12 H 1 0.847 0.05 . 1 . . . . 42 Leu HD1 . 16388 1 485 . 1 1 42 42 LEU HD13 H 1 0.847 0.05 . 1 . . . . 42 Leu HD1 . 16388 1 486 . 1 1 42 42 LEU HD21 H 1 0.719 0.05 . 1 . . . . 42 Leu HD2 . 16388 1 487 . 1 1 42 42 LEU HD22 H 1 0.719 0.05 . 1 . . . . 42 Leu HD2 . 16388 1 488 . 1 1 42 42 LEU HD23 H 1 0.719 0.05 . 1 . . . . 42 Leu HD2 . 16388 1 489 . 1 1 42 42 LEU C C 13 176.65 0.5 . 1 . . . . 42 Leu C . 16388 1 490 . 1 1 42 42 LEU CA C 13 57.999 0.5 . 1 . . . . 42 Leu CA . 16388 1 491 . 1 1 42 42 LEU CB C 13 40.246 0.5 . 1 . . . . 42 Leu CB . 16388 1 492 . 1 1 42 42 LEU CD1 C 13 25.04 0.5 . 1 . . . . 42 Leu CD1 . 16388 1 493 . 1 1 42 42 LEU CD2 C 13 21.12 0.5 . 1 . . . . 42 Leu CD2 . 16388 1 494 . 1 1 42 42 LEU N N 15 126.595 0.5 . 1 . . . . 42 Leu N . 16388 1 495 . 1 1 43 43 GLN H H 1 8.208 0.05 . 1 . . . . 43 Gln H . 16388 1 496 . 1 1 43 43 GLN HA H 1 4.118 0.05 . 1 . . . . 43 Gln HA . 16388 1 497 . 1 1 43 43 GLN HB2 H 1 2.20 0.05 . 2 . . . . 43 Gln HB2 . 16388 1 498 . 1 1 43 43 GLN HB3 H 1 2.20 0.05 . 2 . . . . 43 Gln HB3 . 16388 1 499 . 1 1 43 43 GLN HE21 H 1 7.937 0.05 . 2 . . . . 43 Gln HE21 . 16388 1 500 . 1 1 43 43 GLN HE22 H 1 6.927 0.05 . 2 . . . . 43 Gln HE22 . 16388 1 501 . 1 1 43 43 GLN HG2 H 1 2.27 0.05 . 2 . . . . 43 Gln HG2 . 16388 1 502 . 1 1 43 43 GLN HG3 H 1 2.36 0.05 . 2 . . . . 43 Gln HG3 . 16388 1 503 . 1 1 43 43 GLN CA C 13 58.82 0.5 . 1 . . . . 43 Gln CA . 16388 1 504 . 1 1 43 43 GLN CB C 13 27.544 0.5 . 1 . . . . 43 Gln CB . 16388 1 505 . 1 1 43 43 GLN CG C 13 33.57 0.5 . 1 . . . . 43 Gln CG . 16388 1 506 . 1 1 43 43 GLN N N 15 120.721 0.5 . 1 . . . . 43 Gln N . 16388 1 507 . 1 1 43 43 GLN NE2 N 15 113.4 0.5 . 1 . . . . 43 Gln NE2 . 16388 1 508 . 1 1 44 44 GLU H H 1 8.05 0.05 . 1 . . . . 44 Glu H . 16388 1 509 . 1 1 44 44 GLU HA H 1 4.016 0.05 . 1 . . . . 44 Glu HA . 16388 1 510 . 1 1 44 44 GLU HB2 H 1 2.093 0.05 . 2 . . . . 44 Glu HB2 . 16388 1 511 . 1 1 44 44 GLU HB3 H 1 2.093 0.05 . 2 . . . . 44 Glu HB3 . 16388 1 512 . 1 1 44 44 GLU HG2 H 1 2.508 0.05 . 2 . . . . 44 Glu HG2 . 16388 1 513 . 1 1 44 44 GLU HG3 H 1 2.508 0.05 . 2 . . . . 44 Glu HG3 . 16388 1 514 . 1 1 44 44 GLU C C 13 177.1 0.5 . 1 . . . . 44 Glu C . 16388 1 515 . 1 1 44 44 GLU CA C 13 59.012 0.5 . 1 . . . . 44 Glu CA . 16388 1 516 . 1 1 44 44 GLU CB C 13 29.13 0.5 . 1 . . . . 44 Glu CB . 16388 1 517 . 1 1 44 44 GLU CG C 13 36.34 0.5 . 1 . . . . 44 Glu CG . 16388 1 518 . 1 1 44 44 GLU N N 15 121.17 0.5 . 1 . . . . 44 Glu N . 16388 1 519 . 1 1 45 45 LEU H H 1 8.399 0.05 . 1 . . . . 45 Leu H . 16388 1 520 . 1 1 45 45 LEU HA H 1 4.157 0.05 . 1 . . . . 45 Leu HA . 16388 1 521 . 1 1 45 45 LEU HB2 H 1 1.975 0.05 . 2 . . . . 45 Leu HB2 . 16388 1 522 . 1 1 45 45 LEU HB3 H 1 1.529 0.05 . 2 . . . . 45 Leu HB3 . 16388 1 523 . 1 1 45 45 LEU HD11 H 1 0.947 0.05 . 1 . . . . 45 Leu HD1 . 16388 1 524 . 1 1 45 45 LEU HD12 H 1 0.947 0.05 . 1 . . . . 45 Leu HD1 . 16388 1 525 . 1 1 45 45 LEU HD13 H 1 0.947 0.05 . 1 . . . . 45 Leu HD1 . 16388 1 526 . 1 1 45 45 LEU HD21 H 1 0.88 0.05 . 1 . . . . 45 Leu HD2 . 16388 1 527 . 1 1 45 45 LEU HD22 H 1 0.88 0.05 . 1 . . . . 45 Leu HD2 . 16388 1 528 . 1 1 45 45 LEU HD23 H 1 0.88 0.05 . 1 . . . . 45 Leu HD2 . 16388 1 529 . 1 1 45 45 LEU HG H 1 1.714 0.05 . 1 . . . . 45 Leu HG . 16388 1 530 . 1 1 45 45 LEU C C 13 174.33 0.5 . 1 . . . . 45 Leu C . 16388 1 531 . 1 1 45 45 LEU CA C 13 58.321 0.5 . 1 . . . . 45 Leu CA . 16388 1 532 . 1 1 45 45 LEU CB C 13 42.142 0.5 . 1 . . . . 45 Leu CB . 16388 1 533 . 1 1 45 45 LEU CD1 C 13 24.2 0.5 . 1 . . . . 45 Leu CD1 . 16388 1 534 . 1 1 45 45 LEU CD2 C 13 26.757 0.5 . 1 . . . . 45 Leu CD2 . 16388 1 535 . 1 1 45 45 LEU CG C 13 26.8 0.5 . 1 . . . . 45 Leu CG . 16388 1 536 . 1 1 45 45 LEU N N 15 121.009 0.5 . 1 . . . . 45 Leu N . 16388 1 537 . 1 1 46 46 ARG H H 1 7.885 0.05 . 1 . . . . 46 Arg H . 16388 1 538 . 1 1 46 46 ARG HA H 1 3.809 0.05 . 1 . . . . 46 Arg HA . 16388 1 539 . 1 1 46 46 ARG HB2 H 1 1.926 0.05 . 2 . . . . 46 Arg HB2 . 16388 1 540 . 1 1 46 46 ARG HB3 H 1 1.847 0.05 . 2 . . . . 46 Arg HB3 . 16388 1 541 . 1 1 46 46 ARG HD2 H 1 3.16 0.05 . 2 . . . . 46 Arg HD2 . 16388 1 542 . 1 1 46 46 ARG HD3 H 1 3.275 0.05 . 2 . . . . 46 Arg HD3 . 16388 1 543 . 1 1 46 46 ARG HG2 H 1 1.88 0.05 . 2 . . . . 46 Arg HG2 . 16388 1 544 . 1 1 46 46 ARG HG3 H 1 1.46 0.05 . 2 . . . . 46 Arg HG3 . 16388 1 545 . 1 1 46 46 ARG C C 13 176.59 0.5 . 1 . . . . 46 Arg C . 16388 1 546 . 1 1 46 46 ARG CA C 13 59.745 0.5 . 1 . . . . 46 Arg CA . 16388 1 547 . 1 1 46 46 ARG CB C 13 30.289 0.5 . 1 . . . . 46 Arg CB . 16388 1 548 . 1 1 46 46 ARG CD C 13 43.5 0.5 . 1 . . . . 46 Arg CD . 16388 1 549 . 1 1 46 46 ARG CG C 13 26.97 0.5 . 1 . . . . 46 Arg CG . 16388 1 550 . 1 1 46 46 ARG N N 15 119.325 0.5 . 1 . . . . 46 Arg N . 16388 1 551 . 1 1 47 47 GLU H H 1 7.798 0.05 . 1 . . . . 47 Glu H . 16388 1 552 . 1 1 47 47 GLU HA H 1 3.964 0.05 . 1 . . . . 47 Glu HA . 16388 1 553 . 1 1 47 47 GLU HB2 H 1 2.073 0.05 . 2 . . . . 47 Glu HB2 . 16388 1 554 . 1 1 47 47 GLU HB3 H 1 2.073 0.05 . 2 . . . . 47 Glu HB3 . 16388 1 555 . 1 1 47 47 GLU C C 13 176.14 0.5 . 1 . . . . 47 Glu C . 16388 1 556 . 1 1 47 47 GLU CA C 13 59.126 0.5 . 1 . . . . 47 Glu CA . 16388 1 557 . 1 1 47 47 GLU CB C 13 29.156 0.5 . 1 . . . . 47 Glu CB . 16388 1 558 . 1 1 47 47 GLU N N 15 119.131 0.5 . 1 . . . . 47 Glu N . 16388 1 559 . 1 1 48 48 LEU H H 1 8.228 0.05 . 1 . . . . 48 Leu H . 16388 1 560 . 1 1 48 48 LEU HA H 1 4.074 0.05 . 1 . . . . 48 Leu HA . 16388 1 561 . 1 1 48 48 LEU HB2 H 1 1.747 0.05 . 2 . . . . 48 Leu HB2 . 16388 1 562 . 1 1 48 48 LEU HB3 H 1 2.059 0.05 . 2 . . . . 48 Leu HB3 . 16388 1 563 . 1 1 48 48 LEU HD11 H 1 0.927 0.05 . 2 . . . . 48 Leu HD1 . 16388 1 564 . 1 1 48 48 LEU HD12 H 1 0.927 0.05 . 2 . . . . 48 Leu HD1 . 16388 1 565 . 1 1 48 48 LEU HD13 H 1 0.927 0.05 . 2 . . . . 48 Leu HD1 . 16388 1 566 . 1 1 48 48 LEU HD21 H 1 0.72 0.05 . 2 . . . . 48 Leu HD2 . 16388 1 567 . 1 1 48 48 LEU HD22 H 1 0.72 0.05 . 2 . . . . 48 Leu HD2 . 16388 1 568 . 1 1 48 48 LEU HD23 H 1 0.72 0.05 . 2 . . . . 48 Leu HD2 . 16388 1 569 . 1 1 48 48 LEU HG H 1 1.50 0.05 . 1 . . . . 48 Leu HG . 16388 1 570 . 1 1 48 48 LEU CA C 13 58.473 0.5 . 1 . . . . 48 Leu CA . 16388 1 571 . 1 1 48 48 LEU CB C 13 41.822 0.5 . 1 . . . . 48 Leu CB . 16388 1 572 . 1 1 48 48 LEU CD1 C 13 24.2 0.5 . 2 . . . . 48 Leu CD1 . 16388 1 573 . 1 1 48 48 LEU CD2 C 13 26.82 0.5 . 2 . . . . 48 Leu CD2 . 16388 1 574 . 1 1 48 48 LEU CG C 13 28.14 0.5 . 1 . . . . 48 Leu CG . 16388 1 575 . 1 1 48 48 LEU N N 15 121.320 0.5 . 1 . . . . 48 Leu N . 16388 1 576 . 1 1 49 49 VAL H H 1 8.820 0.05 . 1 . . . . 49 Val H . 16388 1 577 . 1 1 49 49 VAL HA H 1 3.594 0.05 . 1 . . . . 49 Val HA . 16388 1 578 . 1 1 49 49 VAL HB H 1 2.092 0.05 . 1 . . . . 49 Val HB . 16388 1 579 . 1 1 49 49 VAL HG11 H 1 0.949 0.05 . 2 . . . . 49 Val HG1 . 16388 1 580 . 1 1 49 49 VAL HG12 H 1 0.949 0.05 . 2 . . . . 49 Val HG1 . 16388 1 581 . 1 1 49 49 VAL HG13 H 1 0.949 0.05 . 2 . . . . 49 Val HG1 . 16388 1 582 . 1 1 49 49 VAL HG21 H 1 0.923 0.05 . 2 . . . . 49 Val HG2 . 16388 1 583 . 1 1 49 49 VAL HG22 H 1 0.923 0.05 . 2 . . . . 49 Val HG2 . 16388 1 584 . 1 1 49 49 VAL HG23 H 1 0.923 0.05 . 2 . . . . 49 Val HG2 . 16388 1 585 . 1 1 49 49 VAL C C 13 175.69 0.5 . 1 . . . . 49 Val C . 16388 1 586 . 1 1 49 49 VAL CA C 13 67.872 0.5 . 1 . . . . 49 Val CA . 16388 1 587 . 1 1 49 49 VAL CB C 13 31.258 0.5 . 1 . . . . 49 Val CB . 16388 1 588 . 1 1 49 49 VAL CG1 C 13 25.18 0.5 . 2 . . . . 49 Val CG1 . 16388 1 589 . 1 1 49 49 VAL CG2 C 13 23.10 0.5 . 2 . . . . 49 Val CG2 . 16388 1 590 . 1 1 49 49 VAL N N 15 119.700 0.5 . 1 . . . . 49 Val N . 16388 1 591 . 1 1 50 50 GLY H H 1 7.732 0.05 . 1 . . . . 50 Gly H . 16388 1 592 . 1 1 50 50 GLY HA2 H 1 4.088 0.05 . 2 . . . . 50 Gly HA2 . 16388 1 593 . 1 1 50 50 GLY HA3 H 1 3.96 0.05 . 2 . . . . 50 Gly HA3 . 16388 1 594 . 1 1 50 50 GLY C C 13 172.20 0.5 . 1 . . . . 50 Gly C . 16388 1 595 . 1 1 50 50 GLY CA C 13 46.717 0.5 . 1 . . . . 50 Gly CA . 16388 1 596 . 1 1 50 50 GLY N N 15 102.040 0.5 . 1 . . . . 50 Gly N . 16388 1 597 . 1 1 51 51 ARG H H 1 7.635 0.05 . 1 . . . . 51 Arg H . 16388 1 598 . 1 1 51 51 ARG HA H 1 4.662 0.05 . 1 . . . . 51 Arg HA . 16388 1 599 . 1 1 51 51 ARG HB2 H 1 1.88 0.05 . 2 . . . . 51 Arg HB2 . 16388 1 600 . 1 1 51 51 ARG HB3 H 1 2.10 0.05 . 2 . . . . 51 Arg HB3 . 16388 1 601 . 1 1 51 51 ARG HD2 H 1 3.25 0.05 . 2 . . . . 51 Arg HD2 . 16388 1 602 . 1 1 51 51 ARG HD3 H 1 3.162 0.05 . 2 . . . . 51 Arg HD3 . 16388 1 603 . 1 1 51 51 ARG HG2 H 1 1.934 0.05 . 2 . . . . 51 Arg HG2 . 16388 1 604 . 1 1 51 51 ARG HG3 H 1 1.776 0.05 . 2 . . . . 51 Arg HG3 . 16388 1 605 . 1 1 51 51 ARG C C 13 174.69 0.5 . 1 . . . . 51 Arg C . 16388 1 606 . 1 1 51 51 ARG CA C 13 56.209 0.5 . 1 . . . . 51 Arg CA . 16388 1 607 . 1 1 51 51 ARG CB C 13 31.223 0.5 . 1 . . . . 51 Arg CB . 16388 1 608 . 1 1 51 51 ARG CD C 13 43.95 0.5 . 1 . . . . 51 Arg CD . 16388 1 609 . 1 1 51 51 ARG CG C 13 27.42 0.5 . 1 . . . . 51 Arg CG . 16388 1 610 . 1 1 51 51 ARG N N 15 116.780 0.5 . 1 . . . . 51 Arg N . 16388 1 611 . 1 1 52 52 CYS H H 1 7.646 0.05 . 1 . . . . 52 Cys H . 16388 1 612 . 1 1 52 52 CYS HA H 1 4.679 0.05 . 1 . . . . 52 Cys HA . 16388 1 613 . 1 1 52 52 CYS HB2 H 1 3.198 0.05 . 2 . . . . 52 Cys HB2 . 16388 1 614 . 1 1 52 52 CYS HB3 H 1 3.240 0.05 . 2 . . . . 52 Cys HB3 . 16388 1 615 . 1 1 52 52 CYS C C 13 173.12 0.5 . 1 . . . . 52 Cys C . 16388 1 616 . 1 1 52 52 CYS CA C 13 61.330 0.5 . 1 . . . . 52 Cys CA . 16388 1 617 . 1 1 52 52 CYS CB C 13 28.301 0.5 . 1 . . . . 52 Cys CB . 16388 1 618 . 1 1 52 52 CYS N N 15 120.073 0.5 . 1 . . . . 52 Cys N . 16388 1 619 . 1 1 53 53 THR H H 1 9.467 0.05 . 1 . . . . 53 Thr H . 16388 1 620 . 1 1 53 53 THR HA H 1 4.688 0.05 . 1 . . . . 53 Thr HA . 16388 1 621 . 1 1 53 53 THR HB H 1 4.329 0.05 . 1 . . . . 53 Thr HB . 16388 1 622 . 1 1 53 53 THR HG21 H 1 1.528 0.05 . 1 . . . . 53 Thr HG2 . 16388 1 623 . 1 1 53 53 THR HG22 H 1 1.528 0.05 . 1 . . . . 53 Thr HG2 . 16388 1 624 . 1 1 53 53 THR HG23 H 1 1.528 0.05 . 1 . . . . 53 Thr HG2 . 16388 1 625 . 1 1 53 53 THR CA C 13 63.968 0.5 . 1 . . . . 53 Thr CA . 16388 1 626 . 1 1 53 53 THR CB C 13 69.4 0.5 . 1 . . . . 53 Thr CB . 16388 1 627 . 1 1 53 53 THR CG2 C 13 23.57 0.5 . 1 . . . . 53 Thr CG2 . 16388 1 628 . 1 1 53 53 THR N N 15 117.205 0.5 . 1 . . . . 53 Thr N . 16388 1 629 . 1 1 54 54 GLY H H 1 7.638 0.05 . 1 . . . . 54 Gly H . 16388 1 630 . 1 1 54 54 GLY HA2 H 1 3.461 0.05 . 2 . . . . 54 Gly HA2 . 16388 1 631 . 1 1 54 54 GLY HA3 H 1 5.263 0.05 . 2 . . . . 54 Gly HA3 . 16388 1 632 . 1 1 54 54 GLY C C 13 167.92 0.5 . 1 . . . . 54 Gly C . 16388 1 633 . 1 1 54 54 GLY CA C 13 44.173 0.5 . 1 . . . . 54 Gly CA . 16388 1 634 . 1 1 54 54 GLY N N 15 104.101 0.5 . 1 . . . . 54 Gly N . 16388 1 635 . 1 1 55 55 LEU H H 1 8.950 0.05 . 1 . . . . 55 Leu H . 16388 1 636 . 1 1 55 55 LEU HA H 1 5.770 0.05 . 1 . . . . 55 Leu HA . 16388 1 637 . 1 1 55 55 LEU HB2 H 1 1.487 0.05 . 2 . . . . 55 Leu HB2 . 16388 1 638 . 1 1 55 55 LEU HB3 H 1 1.487 0.05 . 2 . . . . 55 Leu HB3 . 16388 1 639 . 1 1 55 55 LEU HD11 H 1 0.677 0.05 . 2 . . . . 55 Leu HD1 . 16388 1 640 . 1 1 55 55 LEU HD12 H 1 0.677 0.05 . 2 . . . . 55 Leu HD1 . 16388 1 641 . 1 1 55 55 LEU HD13 H 1 0.677 0.05 . 2 . . . . 55 Leu HD1 . 16388 1 642 . 1 1 55 55 LEU HD21 H 1 0.812 0.05 . 2 . . . . 55 Leu HD2 . 16388 1 643 . 1 1 55 55 LEU HD22 H 1 0.812 0.05 . 2 . . . . 55 Leu HD2 . 16388 1 644 . 1 1 55 55 LEU HD23 H 1 0.812 0.05 . 2 . . . . 55 Leu HD2 . 16388 1 645 . 1 1 55 55 LEU HG H 1 1.689 0.05 . 1 . . . . 55 Leu HG . 16388 1 646 . 1 1 55 55 LEU C C 13 171.54 0.5 . 1 . . . . 55 Leu C . 16388 1 647 . 1 1 55 55 LEU CA C 13 54.934 0.5 . 1 . . . . 55 Leu CA . 16388 1 648 . 1 1 55 55 LEU CB C 13 46.232 0.5 . 1 . . . . 55 Leu CB . 16388 1 649 . 1 1 55 55 LEU CD1 C 13 26.6 0.5 . 2 . . . . 55 Leu CD1 . 16388 1 650 . 1 1 55 55 LEU CD2 C 13 27.11 0.5 . 2 . . . . 55 Leu CD2 . 16388 1 651 . 1 1 55 55 LEU CG C 13 28.37 0.5 . 1 . . . . 55 Leu CG . 16388 1 652 . 1 1 55 55 LEU N N 15 120.979 0.5 . 1 . . . . 55 Leu N . 16388 1 653 . 1 1 56 56 VAL H H 1 9.332 0.05 . 1 . . . . 56 Val H . 16388 1 654 . 1 1 56 56 VAL HA H 1 5.146 0.05 . 1 . . . . 56 Val HA . 16388 1 655 . 1 1 56 56 VAL HB H 1 2.123 0.05 . 1 . . . . 56 Val HB . 16388 1 656 . 1 1 56 56 VAL HG11 H 1 0.924 0.05 . 2 . . . . 56 Val HG1 . 16388 1 657 . 1 1 56 56 VAL HG12 H 1 0.924 0.05 . 2 . . . . 56 Val HG1 . 16388 1 658 . 1 1 56 56 VAL HG13 H 1 0.924 0.05 . 2 . . . . 56 Val HG1 . 16388 1 659 . 1 1 56 56 VAL HG21 H 1 1.24 0.05 . 2 . . . . 56 Val HG2 . 16388 1 660 . 1 1 56 56 VAL HG22 H 1 1.24 0.05 . 2 . . . . 56 Val HG2 . 16388 1 661 . 1 1 56 56 VAL HG23 H 1 1.24 0.05 . 2 . . . . 56 Val HG2 . 16388 1 662 . 1 1 56 56 VAL C C 13 171.59 0.5 . 1 . . . . 56 Val C . 16388 1 663 . 1 1 56 56 VAL CA C 13 60.511 0.5 . 1 . . . . 56 Val CA . 16388 1 664 . 1 1 56 56 VAL CB C 13 34.42 0.5 . 1 . . . . 56 Val CB . 16388 1 665 . 1 1 56 56 VAL CG1 C 13 21.97 0.5 . 2 . . . . 56 Val CG1 . 16388 1 666 . 1 1 56 56 VAL CG2 C 13 22.34 0.5 . 2 . . . . 56 Val CG2 . 16388 1 667 . 1 1 56 56 VAL N N 15 121.540 0.5 . 1 . . . . 56 Val N . 16388 1 668 . 1 1 57 57 ILE H H 1 8.855 0.05 . 1 . . . . 57 Ile H . 16388 1 669 . 1 1 57 57 ILE HA H 1 5.442 0.05 . 1 . . . . 57 Ile HA . 16388 1 670 . 1 1 57 57 ILE HB H 1 1.627 0.05 . 1 . . . . 57 Ile HB . 16388 1 671 . 1 1 57 57 ILE HD11 H 1 0.705 0.05 . 1 . . . . 57 Ile HD1 . 16388 1 672 . 1 1 57 57 ILE HD12 H 1 0.705 0.05 . 1 . . . . 57 Ile HD1 . 16388 1 673 . 1 1 57 57 ILE HD13 H 1 0.705 0.05 . 1 . . . . 57 Ile HD1 . 16388 1 674 . 1 1 57 57 ILE HG12 H 1 1.412 0.05 . 2 . . . . 57 Ile HG12 . 16388 1 675 . 1 1 57 57 ILE HG13 H 1 1.108 0.05 . 2 . . . . 57 Ile HG13 . 16388 1 676 . 1 1 57 57 ILE HG21 H 1 0.80 0.05 . 1 . . . . 57 Ile HG2 . 16388 1 677 . 1 1 57 57 ILE HG22 H 1 0.80 0.05 . 1 . . . . 57 Ile HG2 . 16388 1 678 . 1 1 57 57 ILE HG23 H 1 0.80 0.05 . 1 . . . . 57 Ile HG2 . 16388 1 679 . 1 1 57 57 ILE C C 13 170.68 0.5 . 1 . . . . 57 Ile C . 16388 1 680 . 1 1 57 57 ILE CA C 13 58.463 0.5 . 1 . . . . 57 Ile CA . 16388 1 681 . 1 1 57 57 ILE CB C 13 41.490 0.5 . 1 . . . . 57 Ile CB . 16388 1 682 . 1 1 57 57 ILE CD1 C 13 14.18 0.5 . 1 . . . . 57 Ile CD1 . 16388 1 683 . 1 1 57 57 ILE CG1 C 13 28.03 0.5 . 1 . . . . 57 Ile CG1 . 16388 1 684 . 1 1 57 57 ILE CG2 C 13 17.03 0.5 . 1 . . . . 57 Ile CG2 . 16388 1 685 . 1 1 57 57 ILE N N 15 127.345 0.5 . 1 . . . . 57 Ile N . 16388 1 686 . 1 1 58 58 GLY H H 1 8.985 0.05 . 1 . . . . 58 Gly H . 16388 1 687 . 1 1 58 58 GLY HA2 H 1 3.352 0.05 . 2 . . . . 58 Gly HA2 . 16388 1 688 . 1 1 58 58 GLY HA3 H 1 2.546 0.05 . 2 . . . . 58 Gly HA3 . 16388 1 689 . 1 1 58 58 GLY C C 13 171.31 0.5 . 1 . . . . 58 Gly C . 16388 1 690 . 1 1 58 58 GLY CA C 13 42.209 0.5 . 1 . . . . 58 Gly CA . 16388 1 691 . 1 1 58 58 GLY N N 15 113.937 0.5 . 1 . . . . 58 Gly N . 16388 1 692 . 1 1 59 59 MET H H 1 7.628 0.05 . 1 . . . . 59 Met H . 16388 1 693 . 1 1 59 59 MET HA H 1 4.551 0.05 . 1 . . . . 59 Met HA . 16388 1 694 . 1 1 59 59 MET HB2 H 1 2.099 0.05 . 2 . . . . 59 Met HB2 . 16388 1 695 . 1 1 59 59 MET HB3 H 1 2.099 0.05 . 2 . . . . 59 Met HB3 . 16388 1 696 . 1 1 59 59 MET HE1 H 1 1.933 0.05 . 1 . . . . 59 Met HE . 16388 1 697 . 1 1 59 59 MET HE2 H 1 1.933 0.05 . 1 . . . . 59 Met HE . 16388 1 698 . 1 1 59 59 MET HE3 H 1 1.933 0.05 . 1 . . . . 59 Met HE . 16388 1 699 . 1 1 59 59 MET C C 13 171.61 0.5 . 1 . . . . 59 Met C . 16388 1 700 . 1 1 59 59 MET CA C 13 53.708 0.5 . 1 . . . . 59 Met CA . 16388 1 701 . 1 1 59 59 MET CB C 13 29.630 0.5 . 1 . . . . 59 Met CB . 16388 1 702 . 1 1 59 59 MET CE C 13 15.66 0.5 . 1 . . . . 59 Met CE . 16388 1 703 . 1 1 59 59 MET N N 15 117.656 0.5 . 1 . . . . 59 Met N . 16388 1 704 . 1 1 60 60 SER H H 1 7.436 0.05 . 1 . . . . 60 Ser H . 16388 1 705 . 1 1 60 60 SER HA H 1 4.80 0.05 . 1 . . . . 60 Ser HA . 16388 1 706 . 1 1 60 60 SER HB2 H 1 3.49 0.05 . 2 . . . . 60 Ser HB2 . 16388 1 707 . 1 1 60 60 SER HB3 H 1 3.85 0.05 . 2 . . . . 60 Ser HB3 . 16388 1 708 . 1 1 60 60 SER CA C 13 54.85 0.5 . 1 . . . . 60 Ser CA . 16388 1 709 . 1 1 60 60 SER CB C 13 63.89 0.5 . 1 . . . . 60 Ser CB . 16388 1 710 . 1 1 60 60 SER N N 15 112.355 0.5 . 1 . . . . 60 Ser N . 16388 1 711 . 1 1 61 61 PRO HA H 1 4.629 0.05 . 1 . . . . 61 Pro HA . 16388 1 712 . 1 1 61 61 PRO HB2 H 1 1.619 0.05 . 2 . . . . 61 Pro HB2 . 16388 1 713 . 1 1 61 61 PRO HB3 H 1 1.619 0.05 . 2 . . . . 61 Pro HB3 . 16388 1 714 . 1 1 61 61 PRO HD2 H 1 3.268 0.05 . 2 . . . . 61 Pro HD2 . 16388 1 715 . 1 1 61 61 PRO HD3 H 1 2.955 0.05 . 2 . . . . 61 Pro HD3 . 16388 1 716 . 1 1 61 61 PRO HG2 H 1 0.58 0.05 . 2 . . . . 61 Pro HG2 . 16388 1 717 . 1 1 61 61 PRO HG3 H 1 1.675 0.05 . 2 . . . . 61 Pro HG3 . 16388 1 718 . 1 1 61 61 PRO C C 13 176.84 0.5 . 1 . . . . 61 Pro C . 16388 1 719 . 1 1 61 61 PRO CA C 13 61.502 0.5 . 1 . . . . 61 Pro CA . 16388 1 720 . 1 1 61 61 PRO CB C 13 30.417 0.5 . 1 . . . . 61 Pro CB . 16388 1 721 . 1 1 61 61 PRO CD C 13 50.48 0.5 . 1 . . . . 61 Pro CD . 16388 1 722 . 1 1 61 61 PRO CG C 13 25.6 0.5 . 1 . . . . 61 Pro CG . 16388 1 723 . 1 1 62 62 ALA H H 1 9.671 0.05 . 1 . . . . 62 Ala H . 16388 1 724 . 1 1 62 62 ALA HA H 1 4.134 0.05 . 1 . . . . 62 Ala HA . 16388 1 725 . 1 1 62 62 ALA HB1 H 1 1.355 0.05 . 1 . . . . 62 Ala HB . 16388 1 726 . 1 1 62 62 ALA HB2 H 1 1.355 0.05 . 1 . . . . 62 Ala HB . 16388 1 727 . 1 1 62 62 ALA HB3 H 1 1.355 0.05 . 1 . . . . 62 Ala HB . 16388 1 728 . 1 1 62 62 ALA C C 13 177.98 0.5 . 1 . . . . 62 Ala C . 16388 1 729 . 1 1 62 62 ALA CA C 13 54.824 0.5 . 1 . . . . 62 Ala CA . 16388 1 730 . 1 1 62 62 ALA CB C 13 17.636 0.5 . 1 . . . . 62 Ala CB . 16388 1 731 . 1 1 62 62 ALA N N 15 132.953 0.5 . 1 . . . . 62 Ala N . 16388 1 732 . 1 1 63 63 ALA H H 1 9.354 0.05 . 1 . . . . 63 Ala H . 16388 1 733 . 1 1 63 63 ALA HA H 1 4.231 0.05 . 1 . . . . 63 Ala HA . 16388 1 734 . 1 1 63 63 ALA HB1 H 1 1.442 0.05 . 1 . . . . 63 Ala HB . 16388 1 735 . 1 1 63 63 ALA HB2 H 1 1.442 0.05 . 1 . . . . 63 Ala HB . 16388 1 736 . 1 1 63 63 ALA HB3 H 1 1.442 0.05 . 1 . . . . 63 Ala HB . 16388 1 737 . 1 1 63 63 ALA C C 13 176.21 0.5 . 1 . . . . 63 Ala C . 16388 1 738 . 1 1 63 63 ALA CA C 13 53.835 0.5 . 1 . . . . 63 Ala CA . 16388 1 739 . 1 1 63 63 ALA CB C 13 18.285 0.5 . 1 . . . . 63 Ala CB . 16388 1 740 . 1 1 63 63 ALA N N 15 120.636 0.5 . 1 . . . . 63 Ala N . 16388 1 741 . 1 1 64 64 SER H H 1 7.509 0.05 . 1 . . . . 64 Ser H . 16388 1 742 . 1 1 64 64 SER HA H 1 4.721 0.05 . 1 . . . . 64 Ser HA . 16388 1 743 . 1 1 64 64 SER HB2 H 1 4.073 0.05 . 2 . . . . 64 Ser HB2 . 16388 1 744 . 1 1 64 64 SER HB3 H 1 3.668 0.05 . 2 . . . . 64 Ser HB3 . 16388 1 745 . 1 1 64 64 SER C C 13 171.48 0.5 . 1 . . . . 64 Ser C . 16388 1 746 . 1 1 64 64 SER CA C 13 57.618 0.5 . 1 . . . . 64 Ser CA . 16388 1 747 . 1 1 64 64 SER CB C 13 64.081 0.5 . 1 . . . . 64 Ser CB . 16388 1 748 . 1 1 64 64 SER N N 15 112.057 0.5 . 1 . . . . 64 Ser N . 16388 1 749 . 1 1 65 65 ALA H H 1 7.688 0.05 . 1 . . . . 65 Ala H . 16388 1 750 . 1 1 65 65 ALA HA H 1 4.147 0.05 . 1 . . . . 65 Ala HA . 16388 1 751 . 1 1 65 65 ALA HB1 H 1 1.513 0.05 . 1 . . . . 65 Ala HB . 16388 1 752 . 1 1 65 65 ALA HB2 H 1 1.513 0.05 . 1 . . . . 65 Ala HB . 16388 1 753 . 1 1 65 65 ALA HB3 H 1 1.513 0.05 . 1 . . . . 65 Ala HB . 16388 1 754 . 1 1 65 65 ALA C C 13 176.53 0.5 . 1 . . . . 65 Ala C . 16388 1 755 . 1 1 65 65 ALA CA C 13 55.140 0.5 . 1 . . . . 65 Ala CA . 16388 1 756 . 1 1 65 65 ALA CB C 13 19.182 0.5 . 1 . . . . 65 Ala CB . 16388 1 757 . 1 1 65 65 ALA N N 15 124.370 0.5 . 1 . . . . 65 Ala N . 16388 1 758 . 1 1 66 66 ALA H H 1 8.729 0.05 . 1 . . . . 66 Ala H . 16388 1 759 . 1 1 66 66 ALA HA H 1 4.130 0.05 . 1 . . . . 66 Ala HA . 16388 1 760 . 1 1 66 66 ALA HB1 H 1 1.377 0.05 . 1 . . . . 66 Ala HB . 16388 1 761 . 1 1 66 66 ALA HB2 H 1 1.377 0.05 . 1 . . . . 66 Ala HB . 16388 1 762 . 1 1 66 66 ALA HB3 H 1 1.377 0.05 . 1 . . . . 66 Ala HB . 16388 1 763 . 1 1 66 66 ALA C C 13 177.48 0.5 . 1 . . . . 66 Ala C . 16388 1 764 . 1 1 66 66 ALA CA C 13 55.092 0.5 . 1 . . . . 66 Ala CA . 16388 1 765 . 1 1 66 66 ALA CB C 13 17.838 0.5 . 1 . . . . 66 Ala CB . 16388 1 766 . 1 1 66 66 ALA N N 15 119.010 0.5 . 1 . . . . 66 Ala N . 16388 1 767 . 1 1 67 67 SER H H 1 8.000 0.05 . 1 . . . . 67 Ser H . 16388 1 768 . 1 1 67 67 SER HA H 1 4.458 0.05 . 1 . . . . 67 Ser HA . 16388 1 769 . 1 1 67 67 SER HB2 H 1 3.945 0.05 . 2 . . . . 67 Ser HB2 . 16388 1 770 . 1 1 67 67 SER HB3 H 1 4.05 0.05 . 2 . . . . 67 Ser HB3 . 16388 1 771 . 1 1 67 67 SER C C 13 173.07 0.5 . 1 . . . . 67 Ser C . 16388 1 772 . 1 1 67 67 SER CA C 13 60.06 0.5 . 1 . . . . 67 Ser CA . 16388 1 773 . 1 1 67 67 SER CB C 13 63.237 0.5 . 1 . . . . 67 Ser CB . 16388 1 774 . 1 1 67 67 SER N N 15 111.857 0.5 . 1 . . . . 67 Ser N . 16388 1 775 . 1 1 68 68 ILE H H 1 7.523 0.05 . 1 . . . . 68 Ile H . 16388 1 776 . 1 1 68 68 ILE HA H 1 4.163 0.05 . 1 . . . . 68 Ile HA . 16388 1 777 . 1 1 68 68 ILE HB H 1 1.803 0.05 . 1 . . . . 68 Ile HB . 16388 1 778 . 1 1 68 68 ILE HD11 H 1 0.764 0.05 . 1 . . . . 68 Ile HD1 . 16388 1 779 . 1 1 68 68 ILE HD12 H 1 0.764 0.05 . 1 . . . . 68 Ile HD1 . 16388 1 780 . 1 1 68 68 ILE HD13 H 1 0.764 0.05 . 1 . . . . 68 Ile HD1 . 16388 1 781 . 1 1 68 68 ILE HG12 H 1 1.237 0.05 . 2 . . . . 68 Ile HG12 . 16388 1 782 . 1 1 68 68 ILE HG13 H 1 1.558 0.05 . 2 . . . . 68 Ile HG13 . 16388 1 783 . 1 1 68 68 ILE HG21 H 1 0.879 0.05 . 1 . . . . 68 Ile HG2 . 16388 1 784 . 1 1 68 68 ILE HG22 H 1 0.879 0.05 . 1 . . . . 68 Ile HG2 . 16388 1 785 . 1 1 68 68 ILE HG23 H 1 0.879 0.05 . 1 . . . . 68 Ile HG2 . 16388 1 786 . 1 1 68 68 ILE C C 13 173.70 0.5 . 1 . . . . 68 Ile C . 16388 1 787 . 1 1 68 68 ILE CA C 13 62.361 0.5 . 1 . . . . 68 Ile CA . 16388 1 788 . 1 1 68 68 ILE CB C 13 39.118 0.5 . 1 . . . . 68 Ile CB . 16388 1 789 . 1 1 68 68 ILE CD1 C 13 13.59 0.5 . 1 . . . . 68 Ile CD1 . 16388 1 790 . 1 1 68 68 ILE CG1 C 13 28.7 0.5 . 1 . . . . 68 Ile CG1 . 16388 1 791 . 1 1 68 68 ILE CG2 C 13 17.44 0.5 . 1 . . . . 68 Ile CG2 . 16388 1 792 . 1 1 68 68 ILE N N 15 121.941 0.5 . 1 . . . . 68 Ile N . 16388 1 793 . 1 1 69 69 GLN H H 1 7.903 0.05 . 1 . . . . 69 Gln H . 16388 1 794 . 1 1 69 69 GLN HA H 1 3.943 0.05 . 1 . . . . 69 Gln HA . 16388 1 795 . 1 1 69 69 GLN HB2 H 1 2.194 0.05 . 2 . . . . 69 Gln HB2 . 16388 1 796 . 1 1 69 69 GLN HB3 H 1 2.082 0.05 . 2 . . . . 69 Gln HB3 . 16388 1 797 . 1 1 69 69 GLN HE21 H 1 7.437 0.05 . 2 . . . . 69 Gln HE21 . 16388 1 798 . 1 1 69 69 GLN HE22 H 1 6.85 0.05 . 2 . . . . 69 Gln HE22 . 16388 1 799 . 1 1 69 69 GLN HG2 H 1 2.41 0.05 . 2 . . . . 69 Gln HG2 . 16388 1 800 . 1 1 69 69 GLN HG3 H 1 2.41 0.05 . 2 . . . . 69 Gln HG3 . 16388 1 801 . 1 1 69 69 GLN C C 13 175.63 0.5 . 1 . . . . 69 Gln C . 16388 1 802 . 1 1 69 69 GLN CA C 13 59.423 0.5 . 1 . . . . 69 Gln CA . 16388 1 803 . 1 1 69 69 GLN CB C 13 27.759 0.5 . 1 . . . . 69 Gln CB . 16388 1 804 . 1 1 69 69 GLN CG C 13 33.3 0.5 . 1 . . . . 69 Gln CG . 16388 1 805 . 1 1 69 69 GLN N N 15 119.745 0.5 . 1 . . . . 69 Gln N . 16388 1 806 . 1 1 69 69 GLN NE2 N 15 112.1 0.5 . 1 . . . . 69 Gln NE2 . 16388 1 807 . 1 1 70 70 GLY H H 1 8.813 0.05 . 1 . . . . 70 Gly H . 16388 1 808 . 1 1 70 70 GLY HA2 H 1 3.834 0.05 . 2 . . . . 70 Gly HA2 . 16388 1 809 . 1 1 70 70 GLY HA3 H 1 3.834 0.05 . 2 . . . . 70 Gly HA3 . 16388 1 810 . 1 1 70 70 GLY C C 13 173.66 0.5 . 1 . . . . 70 Gly C . 16388 1 811 . 1 1 70 70 GLY CA C 13 47.117 0.5 . 1 . . . . 70 Gly CA . 16388 1 812 . 1 1 70 70 GLY N N 15 108.430 0.5 . 1 . . . . 70 Gly N . 16388 1 813 . 1 1 71 71 ALA H H 1 8.227 0.05 . 1 . . . . 71 Ala H . 16388 1 814 . 1 1 71 71 ALA HA H 1 3.904 0.05 . 1 . . . . 71 Ala HA . 16388 1 815 . 1 1 71 71 ALA HB1 H 1 1.433 0.05 . 1 . . . . 71 Ala HB . 16388 1 816 . 1 1 71 71 ALA HB2 H 1 1.433 0.05 . 1 . . . . 71 Ala HB . 16388 1 817 . 1 1 71 71 ALA HB3 H 1 1.433 0.05 . 1 . . . . 71 Ala HB . 16388 1 818 . 1 1 71 71 ALA C C 13 176.48 0.5 . 1 . . . . 71 Ala C . 16388 1 819 . 1 1 71 71 ALA CA C 13 55.162 0.5 . 1 . . . . 71 Ala CA . 16388 1 820 . 1 1 71 71 ALA CB C 13 18.168 0.5 . 1 . . . . 71 Ala CB . 16388 1 821 . 1 1 71 71 ALA N N 15 127.184 0.5 . 1 . . . . 71 Ala N . 16388 1 822 . 1 1 72 72 LEU H H 1 8.220 0.05 . 1 . . . . 72 Leu H . 16388 1 823 . 1 1 72 72 LEU HA H 1 3.931 0.05 . 1 . . . . 72 Leu HA . 16388 1 824 . 1 1 72 72 LEU HB2 H 1 1.594 0.05 . 2 . . . . 72 Leu HB2 . 16388 1 825 . 1 1 72 72 LEU HB3 H 1 1.594 0.05 . 2 . . . . 72 Leu HB3 . 16388 1 826 . 1 1 72 72 LEU HD11 H 1 0.839 0.05 . 2 . . . . 72 Leu HD1 . 16388 1 827 . 1 1 72 72 LEU HD12 H 1 0.839 0.05 . 2 . . . . 72 Leu HD1 . 16388 1 828 . 1 1 72 72 LEU HD13 H 1 0.839 0.05 . 2 . . . . 72 Leu HD1 . 16388 1 829 . 1 1 72 72 LEU HD21 H 1 0.803 0.05 . 2 . . . . 72 Leu HD2 . 16388 1 830 . 1 1 72 72 LEU HD22 H 1 0.803 0.05 . 2 . . . . 72 Leu HD2 . 16388 1 831 . 1 1 72 72 LEU HD23 H 1 0.803 0.05 . 2 . . . . 72 Leu HD2 . 16388 1 832 . 1 1 72 72 LEU HG H 1 1.61 0.05 . 1 . . . . 72 Leu HG . 16388 1 833 . 1 1 72 72 LEU C C 13 176.15 0.5 . 1 . . . . 72 Leu C . 16388 1 834 . 1 1 72 72 LEU CA C 13 58.391 0.5 . 1 . . . . 72 Leu CA . 16388 1 835 . 1 1 72 72 LEU CB C 13 41.355 0.5 . 1 . . . . 72 Leu CB . 16388 1 836 . 1 1 72 72 LEU CD1 C 13 23.89 0.5 . 2 . . . . 72 Leu CD1 . 16388 1 837 . 1 1 72 72 LEU CD2 C 13 23.65 0.5 . 2 . . . . 72 Leu CD2 . 16388 1 838 . 1 1 72 72 LEU CG C 13 27.28 0.5 . 1 . . . . 72 Leu CG . 16388 1 839 . 1 1 72 72 LEU N N 15 119.027 0.5 . 1 . . . . 72 Leu N . 16388 1 840 . 1 1 73 73 SER H H 1 8.806 0.05 . 1 . . . . 73 Ser H . 16388 1 841 . 1 1 73 73 SER HA H 1 3.939 0.05 . 1 . . . . 73 Ser HA . 16388 1 842 . 1 1 73 73 SER C C 13 175.17 0.5 . 1 . . . . 73 Ser C . 16388 1 843 . 1 1 73 73 SER CA C 13 62.412 0.5 . 1 . . . . 73 Ser CA . 16388 1 844 . 1 1 73 73 SER N N 15 113.855 0.5 . 1 . . . . 73 Ser N . 16388 1 845 . 1 1 74 74 THR H H 1 7.838 0.05 . 1 . . . . 74 Thr H . 16388 1 846 . 1 1 74 74 THR HA H 1 3.92 0.05 . 1 . . . . 74 Thr HA . 16388 1 847 . 1 1 74 74 THR HB H 1 4.423 0.05 . 1 . . . . 74 Thr HB . 16388 1 848 . 1 1 74 74 THR HG21 H 1 1.168 0.05 . 1 . . . . 74 Thr HG2 . 16388 1 849 . 1 1 74 74 THR HG22 H 1 1.168 0.05 . 1 . . . . 74 Thr HG2 . 16388 1 850 . 1 1 74 74 THR HG23 H 1 1.168 0.05 . 1 . . . . 74 Thr HG2 . 16388 1 851 . 1 1 74 74 THR C C 13 173.95 0.5 . 1 . . . . 74 Thr C . 16388 1 852 . 1 1 74 74 THR CA C 13 67.48 0.5 . 1 . . . . 74 Thr CA . 16388 1 853 . 1 1 74 74 THR CB C 13 67.58 0.5 . 1 . . . . 74 Thr CB . 16388 1 854 . 1 1 74 74 THR CG2 C 13 20.981 0.5 . 1 . . . . 74 Thr CG2 . 16388 1 855 . 1 1 74 74 THR N N 15 120.731 0.5 . 1 . . . . 74 Thr N . 16388 1 856 . 1 1 75 75 ILE H H 1 8.230 0.05 . 1 . . . . 75 Ile H . 16388 1 857 . 1 1 75 75 ILE HA H 1 3.375 0.05 . 1 . . . . 75 Ile HA . 16388 1 858 . 1 1 75 75 ILE HB H 1 1.957 0.05 . 1 . . . . 75 Ile HB . 16388 1 859 . 1 1 75 75 ILE HD11 H 1 0.389 0.05 . 1 . . . . 75 Ile HD1 . 16388 1 860 . 1 1 75 75 ILE HD12 H 1 0.389 0.05 . 1 . . . . 75 Ile HD1 . 16388 1 861 . 1 1 75 75 ILE HD13 H 1 0.389 0.05 . 1 . . . . 75 Ile HD1 . 16388 1 862 . 1 1 75 75 ILE HG12 H 1 0.377 0.05 . 2 . . . . 75 Ile HG12 . 16388 1 863 . 1 1 75 75 ILE HG13 H 1 1.73 0.05 . 2 . . . . 75 Ile HG13 . 16388 1 864 . 1 1 75 75 ILE HG21 H 1 0.673 0.05 . 1 . . . . 75 Ile HG2 . 16388 1 865 . 1 1 75 75 ILE HG22 H 1 0.673 0.05 . 1 . . . . 75 Ile HG2 . 16388 1 866 . 1 1 75 75 ILE HG23 H 1 0.673 0.05 . 1 . . . . 75 Ile HG2 . 16388 1 867 . 1 1 75 75 ILE C C 13 174.95 0.5 . 1 . . . . 75 Ile C . 16388 1 868 . 1 1 75 75 ILE CA C 13 67.227 0.5 . 1 . . . . 75 Ile CA . 16388 1 869 . 1 1 75 75 ILE CB C 13 38.017 0.5 . 1 . . . . 75 Ile CB . 16388 1 870 . 1 1 75 75 ILE CD1 C 13 13.566 0.5 . 1 . . . . 75 Ile CD1 . 16388 1 871 . 1 1 75 75 ILE CG1 C 13 28.737 0.5 . 1 . . . . 75 Ile CG1 . 16388 1 872 . 1 1 75 75 ILE CG2 C 13 16.399 0.5 . 1 . . . . 75 Ile CG2 . 16388 1 873 . 1 1 75 75 ILE N N 15 124.437 0.5 . 1 . . . . 75 Ile N . 16388 1 874 . 1 1 76 76 LEU H H 1 8.253 0.05 . 1 . . . . 76 Leu H . 16388 1 875 . 1 1 76 76 LEU HA H 1 3.724 0.05 . 1 . . . . 76 Leu HA . 16388 1 876 . 1 1 76 76 LEU HB2 H 1 1.662 0.05 . 2 . . . . 76 Leu HB2 . 16388 1 877 . 1 1 76 76 LEU HB3 H 1 1.240 0.05 . 2 . . . . 76 Leu HB3 . 16388 1 878 . 1 1 76 76 LEU HD11 H 1 0.536 0.05 . 2 . . . . 76 Leu HD1 . 16388 1 879 . 1 1 76 76 LEU HD12 H 1 0.536 0.05 . 2 . . . . 76 Leu HD1 . 16388 1 880 . 1 1 76 76 LEU HD13 H 1 0.536 0.05 . 2 . . . . 76 Leu HD1 . 16388 1 881 . 1 1 76 76 LEU HD21 H 1 0.010 0.05 . 2 . . . . 76 Leu HD2 . 16388 1 882 . 1 1 76 76 LEU HD22 H 1 0.010 0.05 . 2 . . . . 76 Leu HD2 . 16388 1 883 . 1 1 76 76 LEU HD23 H 1 0.010 0.05 . 2 . . . . 76 Leu HD2 . 16388 1 884 . 1 1 76 76 LEU HG H 1 1.29 0.05 . 1 . . . . 76 Leu HG . 16388 1 885 . 1 1 76 76 LEU C C 13 175.54 0.5 . 1 . . . . 76 Leu C . 16388 1 886 . 1 1 76 76 LEU CA C 13 58.352 0.5 . 1 . . . . 76 Leu CA . 16388 1 887 . 1 1 76 76 LEU CB C 13 41.669 0.5 . 1 . . . . 76 Leu CB . 16388 1 888 . 1 1 76 76 LEU CD1 C 13 25.29 0.5 . 2 . . . . 76 Leu CD1 . 16388 1 889 . 1 1 76 76 LEU CD2 C 13 23.26 0.5 . 2 . . . . 76 Leu CD2 . 16388 1 890 . 1 1 76 76 LEU CG C 13 27.99 0.5 . 1 . . . . 76 Leu CG . 16388 1 891 . 1 1 76 76 LEU N N 15 118.470 0.5 . 1 . . . . 76 Leu N . 16388 1 892 . 1 1 77 77 GLY H H 1 7.794 0.05 . 1 . . . . 77 Gly H . 16388 1 893 . 1 1 77 77 GLY HA2 H 1 4.203 0.05 . 2 . . . . 77 Gly HA2 . 16388 1 894 . 1 1 77 77 GLY HA3 H 1 3.831 0.05 . 2 . . . . 77 Gly HA3 . 16388 1 895 . 1 1 77 77 GLY C C 13 172.14 0.5 . 1 . . . . 77 Gly C . 16388 1 896 . 1 1 77 77 GLY CA C 13 45.189 0.5 . 1 . . . . 77 Gly CA . 16388 1 897 . 1 1 77 77 GLY N N 15 103.341 0.5 . 1 . . . . 77 Gly N . 16388 1 898 . 1 1 78 78 SER H H 1 7.757 0.05 . 1 . . . . 78 Ser H . 16388 1 899 . 1 1 78 78 SER HA H 1 4.830 0.05 . 1 . . . . 78 Ser HA . 16388 1 900 . 1 1 78 78 SER HB2 H 1 3.950 0.05 . 2 . . . . 78 Ser HB2 . 16388 1 901 . 1 1 78 78 SER HB3 H 1 3.764 0.05 . 2 . . . . 78 Ser HB3 . 16388 1 902 . 1 1 78 78 SER C C 13 171.14 0.5 . 1 . . . . 78 Ser C . 16388 1 903 . 1 1 78 78 SER CA C 13 59.480 0.5 . 1 . . . . 78 Ser CA . 16388 1 904 . 1 1 78 78 SER CB C 13 65.290 0.5 . 1 . . . . 78 Ser CB . 16388 1 905 . 1 1 78 78 SER N N 15 114.249 0.5 . 1 . . . . 78 Ser N . 16388 1 906 . 1 1 79 79 VAL H H 1 6.972 0.05 . 1 . . . . 79 Val H . 16388 1 907 . 1 1 79 79 VAL HA H 1 4.854 0.05 . 1 . . . . 79 Val HA . 16388 1 908 . 1 1 79 79 VAL HB H 1 2.672 0.05 . 1 . . . . 79 Val HB . 16388 1 909 . 1 1 79 79 VAL HG11 H 1 1.018 0.05 . 2 . . . . 79 Val HG1 . 16388 1 910 . 1 1 79 79 VAL HG12 H 1 1.018 0.05 . 2 . . . . 79 Val HG1 . 16388 1 911 . 1 1 79 79 VAL HG13 H 1 1.018 0.05 . 2 . . . . 79 Val HG1 . 16388 1 912 . 1 1 79 79 VAL HG21 H 1 1.083 0.05 . 2 . . . . 79 Val HG2 . 16388 1 913 . 1 1 79 79 VAL HG22 H 1 1.083 0.05 . 2 . . . . 79 Val HG2 . 16388 1 914 . 1 1 79 79 VAL HG23 H 1 1.083 0.05 . 2 . . . . 79 Val HG2 . 16388 1 915 . 1 1 79 79 VAL C C 13 172.90 0.5 . 1 . . . . 79 Val C . 16388 1 916 . 1 1 79 79 VAL CA C 13 60.722 0.5 . 1 . . . . 79 Val CA . 16388 1 917 . 1 1 79 79 VAL CB C 13 33.94 0.5 . 1 . . . . 79 Val CB . 16388 1 918 . 1 1 79 79 VAL CG1 C 13 18.62 0.5 . 2 . . . . 79 Val CG1 . 16388 1 919 . 1 1 79 79 VAL CG2 C 13 22.81 0.5 . 2 . . . . 79 Val CG2 . 16388 1 920 . 1 1 79 79 VAL N N 15 112.831 0.5 . 1 . . . . 79 Val N . 16388 1 921 . 1 1 80 80 ASN H H 1 9.116 0.05 . 1 . . . . 80 Asn H . 16388 1 922 . 1 1 80 80 ASN HA H 1 5.030 0.05 . 1 . . . . 80 Asn HA . 16388 1 923 . 1 1 80 80 ASN HB2 H 1 2.851 0.05 . 2 . . . . 80 Asn HB2 . 16388 1 924 . 1 1 80 80 ASN HB3 H 1 2.741 0.05 . 2 . . . . 80 Asn HB3 . 16388 1 925 . 1 1 80 80 ASN HD21 H 1 8.143 0.05 . 2 . . . . 80 Asn HD21 . 16388 1 926 . 1 1 80 80 ASN HD22 H 1 7.106 0.05 . 2 . . . . 80 Asn HD22 . 16388 1 927 . 1 1 80 80 ASN C C 13 171.16 0.5 . 1 . . . . 80 Asn C . 16388 1 928 . 1 1 80 80 ASN CA C 13 52.389 0.5 . 1 . . . . 80 Asn CA . 16388 1 929 . 1 1 80 80 ASN CB C 13 42.877 0.5 . 1 . . . . 80 Asn CB . 16388 1 930 . 1 1 80 80 ASN N N 15 116.620 0.5 . 1 . . . . 80 Asn N . 16388 1 931 . 1 1 80 80 ASN ND2 N 15 116.4 0.5 . 1 . . . . 80 Asn ND2 . 16388 1 932 . 1 1 81 81 GLU H H 1 8.932 0.05 . 1 . . . . 81 Glu H . 16388 1 933 . 1 1 81 81 GLU HA H 1 3.999 0.05 . 1 . . . . 81 Glu HA . 16388 1 934 . 1 1 81 81 GLU HB2 H 1 2.35 0.05 . 2 . . . . 81 Glu HB2 . 16388 1 935 . 1 1 81 81 GLU HB3 H 1 2.280 0.05 . 2 . . . . 81 Glu HB3 . 16388 1 936 . 1 1 81 81 GLU HG2 H 1 2.315 0.05 . 2 . . . . 81 Glu HG2 . 16388 1 937 . 1 1 81 81 GLU HG3 H 1 2.36 0.05 . 2 . . . . 81 Glu HG3 . 16388 1 938 . 1 1 81 81 GLU C C 13 172.56 0.5 . 1 . . . . 81 Glu C . 16388 1 939 . 1 1 81 81 GLU CA C 13 58.356 0.5 . 1 . . . . 81 Glu CA . 16388 1 940 . 1 1 81 81 GLU CB C 13 28.657 0.5 . 1 . . . . 81 Glu CB . 16388 1 941 . 1 1 81 81 GLU CG C 13 35.17 0.5 . 1 . . . . 81 Glu CG . 16388 1 942 . 1 1 81 81 GLU N N 15 116.180 0.5 . 1 . . . . 81 Glu N . 16388 1 943 . 1 1 82 82 LYS H H 1 8.575 0.05 . 1 . . . . 82 Lys H . 16388 1 944 . 1 1 82 82 LYS HA H 1 4.512 0.05 . 1 . . . . 82 Lys HA . 16388 1 945 . 1 1 82 82 LYS HB2 H 1 2.074 0.05 . 2 . . . . 82 Lys HB2 . 16388 1 946 . 1 1 82 82 LYS HB3 H 1 2.074 0.05 . 2 . . . . 82 Lys HB3 . 16388 1 947 . 1 1 82 82 LYS HD2 H 1 2.074 0.05 . 2 . . . . 82 Lys HD2 . 16388 1 948 . 1 1 82 82 LYS HD3 H 1 2.074 0.05 . 2 . . . . 82 Lys HD3 . 16388 1 949 . 1 1 82 82 LYS HE2 H 1 3.018 0.05 . 2 . . . . 82 Lys HE2 . 16388 1 950 . 1 1 82 82 LYS HE3 H 1 3.018 0.05 . 2 . . . . 82 Lys HE3 . 16388 1 951 . 1 1 82 82 LYS HG2 H 1 1.496 0.05 . 2 . . . . 82 Lys HG2 . 16388 1 952 . 1 1 82 82 LYS HG3 H 1 1.537 0.05 . 2 . . . . 82 Lys HG3 . 16388 1 953 . 1 1 82 82 LYS C C 13 175.18 0.5 . 1 . . . . 82 Lys C . 16388 1 954 . 1 1 82 82 LYS CA C 13 56.666 0.5 . 1 . . . . 82 Lys CA . 16388 1 955 . 1 1 82 82 LYS CB C 13 31.421 0.5 . 1 . . . . 82 Lys CB . 16388 1 956 . 1 1 82 82 LYS CG C 13 25.43 0.5 . 1 . . . . 82 Lys CG . 16388 1 957 . 1 1 82 82 LYS N N 15 119.270 0.5 . 1 . . . . 82 Lys N . 16388 1 958 . 1 1 83 83 GLN H H 1 7.775 0.05 . 1 . . . . 83 Gln H . 16388 1 959 . 1 1 83 83 GLN HA H 1 4.876 0.05 . 1 . . . . 83 Gln HA . 16388 1 960 . 1 1 83 83 GLN HB2 H 1 2.567 0.05 . 2 . . . . 83 Gln HB2 . 16388 1 961 . 1 1 83 83 GLN HB3 H 1 1.564 0.05 . 2 . . . . 83 Gln HB3 . 16388 1 962 . 1 1 83 83 GLN HE21 H 1 7.594 0.05 . 2 . . . . 83 Gln HE21 . 16388 1 963 . 1 1 83 83 GLN HE22 H 1 6.897 0.05 . 2 . . . . 83 Gln HE22 . 16388 1 964 . 1 1 83 83 GLN HG2 H 1 2.377 0.05 . 2 . . . . 83 Gln HG2 . 16388 1 965 . 1 1 83 83 GLN HG3 H 1 2.24 0.05 . 2 . . . . 83 Gln HG3 . 16388 1 966 . 1 1 83 83 GLN C C 13 171.85 0.5 . 1 . . . . 83 Gln C . 16388 1 967 . 1 1 83 83 GLN CA C 13 55.752 0.5 . 1 . . . . 83 Gln CA . 16388 1 968 . 1 1 83 83 GLN CB C 13 31.726 0.5 . 1 . . . . 83 Gln CB . 16388 1 969 . 1 1 83 83 GLN CG C 13 34.59 0.5 . 1 . . . . 83 Gln CG . 16388 1 970 . 1 1 83 83 GLN N N 15 118.560 0.5 . 1 . . . . 83 Gln N . 16388 1 971 . 1 1 83 83 GLN NE2 N 15 111.9 0.5 . 1 . . . . 83 Gln NE2 . 16388 1 972 . 1 1 84 84 ALA H H 1 7.077 0.05 . 1 . . . . 84 Ala H . 16388 1 973 . 1 1 84 84 ALA HA H 1 5.083 0.05 . 1 . . . . 84 Ala HA . 16388 1 974 . 1 1 84 84 ALA HB1 H 1 -0.039 0.05 . 1 . . . . 84 Ala HB . 16388 1 975 . 1 1 84 84 ALA HB2 H 1 -0.039 0.05 . 1 . . . . 84 Ala HB . 16388 1 976 . 1 1 84 84 ALA HB3 H 1 -0.039 0.05 . 1 . . . . 84 Ala HB . 16388 1 977 . 1 1 84 84 ALA C C 13 172.97 0.5 . 1 . . . . 84 Ala C . 16388 1 978 . 1 1 84 84 ALA CA C 13 49.373 0.5 . 1 . . . . 84 Ala CA . 16388 1 979 . 1 1 84 84 ALA CB C 13 21.142 0.5 . 1 . . . . 84 Ala CB . 16388 1 980 . 1 1 84 84 ALA N N 15 119.686 0.5 . 1 . . . . 84 Ala N . 16388 1 981 . 1 1 85 85 VAL H H 1 8.481 0.05 . 1 . . . . 85 Val H . 16388 1 982 . 1 1 85 85 VAL HA H 1 5.622 0.05 . 1 . . . . 85 Val HA . 16388 1 983 . 1 1 85 85 VAL HB H 1 1.268 0.05 . 1 . . . . 85 Val HB . 16388 1 984 . 1 1 85 85 VAL HG11 H 1 -0.0577 0.05 . 1 . . . . 85 Val HG1 . 16388 1 985 . 1 1 85 85 VAL HG12 H 1 -0.0577 0.05 . 1 . . . . 85 Val HG1 . 16388 1 986 . 1 1 85 85 VAL HG13 H 1 -0.0577 0.05 . 1 . . . . 85 Val HG1 . 16388 1 987 . 1 1 85 85 VAL HG21 H 1 0.306 0.05 . 1 . . . . 85 Val HG2 . 16388 1 988 . 1 1 85 85 VAL HG22 H 1 0.306 0.05 . 1 . . . . 85 Val HG2 . 16388 1 989 . 1 1 85 85 VAL HG23 H 1 0.306 0.05 . 1 . . . . 85 Val HG2 . 16388 1 990 . 1 1 85 85 VAL C C 13 170.67 0.5 . 1 . . . . 85 Val C . 16388 1 991 . 1 1 85 85 VAL CA C 13 57.605 0.5 . 1 . . . . 85 Val CA . 16388 1 992 . 1 1 85 85 VAL CB C 13 34.914 0.5 . 1 . . . . 85 Val CB . 16388 1 993 . 1 1 85 85 VAL CG1 C 13 20.69 0.5 . 1 . . . . 85 Val CG1 . 16388 1 994 . 1 1 85 85 VAL CG2 C 13 18.91 0.5 . 1 . . . . 85 Val CG2 . 16388 1 995 . 1 1 85 85 VAL N N 15 116.859 0.5 . 1 . . . . 85 Val N . 16388 1 996 . 1 1 86 86 GLY H H 1 8.378 0.05 . 1 . . . . 86 Gly H . 16388 1 997 . 1 1 86 86 GLY HA2 H 1 4.299 0.05 . 2 . . . . 86 Gly HA2 . 16388 1 998 . 1 1 86 86 GLY HA3 H 1 2.084 0.05 . 2 . . . . 86 Gly HA3 . 16388 1 999 . 1 1 86 86 GLY C C 13 168.10 0.5 . 1 . . . . 86 Gly C . 16388 1 1000 . 1 1 86 86 GLY CA C 13 43.408 0.5 . 1 . . . . 86 Gly CA . 16388 1 1001 . 1 1 86 86 GLY N N 15 117.871 0.5 . 1 . . . . 86 Gly N . 16388 1 1002 . 1 1 87 87 ILE H H 1 8.372 0.05 . 1 . . . . 87 Ile H . 16388 1 1003 . 1 1 87 87 ILE HA H 1 5.694 0.05 . 1 . . . . 87 Ile HA . 16388 1 1004 . 1 1 87 87 ILE HB H 1 1.508 0.05 . 1 . . . . 87 Ile HB . 16388 1 1005 . 1 1 87 87 ILE HD11 H 1 0.777 0.05 . 1 . . . . 87 Ile HD1 . 16388 1 1006 . 1 1 87 87 ILE HD12 H 1 0.777 0.05 . 1 . . . . 87 Ile HD1 . 16388 1 1007 . 1 1 87 87 ILE HD13 H 1 0.777 0.05 . 1 . . . . 87 Ile HD1 . 16388 1 1008 . 1 1 87 87 ILE HG12 H 1 1.47 0.05 . 2 . . . . 87 Ile HG12 . 16388 1 1009 . 1 1 87 87 ILE HG13 H 1 0.93 0.05 . 2 . . . . 87 Ile HG13 . 16388 1 1010 . 1 1 87 87 ILE HG21 H 1 0.935 0.05 . 1 . . . . 87 Ile HG2 . 16388 1 1011 . 1 1 87 87 ILE HG22 H 1 0.935 0.05 . 1 . . . . 87 Ile HG2 . 16388 1 1012 . 1 1 87 87 ILE HG23 H 1 0.935 0.05 . 1 . . . . 87 Ile HG2 . 16388 1 1013 . 1 1 87 87 ILE C C 13 171.32 0.5 . 1 . . . . 87 Ile C . 16388 1 1014 . 1 1 87 87 ILE CA C 13 59.789 0.5 . 1 . . . . 87 Ile CA . 16388 1 1015 . 1 1 87 87 ILE CB C 13 41.215 0.5 . 1 . . . . 87 Ile CB . 16388 1 1016 . 1 1 87 87 ILE CD1 C 13 13.64 0.5 . 1 . . . . 87 Ile CD1 . 16388 1 1017 . 1 1 87 87 ILE CG1 C 13 27.73 0.5 . 1 . . . . 87 Ile CG1 . 16388 1 1018 . 1 1 87 87 ILE CG2 C 13 18.73 0.5 . 1 . . . . 87 Ile CG2 . 16388 1 1019 . 1 1 87 87 ILE N N 15 122.693 0.5 . 1 . . . . 87 Ile N . 16388 1 1020 . 1 1 88 88 PHE H H 1 8.774 0.05 . 1 . . . . 88 Phe H . 16388 1 1021 . 1 1 88 88 PHE HA H 1 5.650 0.05 . 1 . . . . 88 Phe HA . 16388 1 1022 . 1 1 88 88 PHE HB2 H 1 2.79 0.05 . 2 . . . . 88 Phe HB2 . 16388 1 1023 . 1 1 88 88 PHE HB3 H 1 3.387 0.05 . 2 . . . . 88 Phe HB3 . 16388 1 1024 . 1 1 88 88 PHE HD1 H 1 7.138 0.05 . 2 . . . . 88 Phe HD1 . 16388 1 1025 . 1 1 88 88 PHE HD2 H 1 7.138 0.05 . 2 . . . . 88 Phe HD2 . 16388 1 1026 . 1 1 88 88 PHE HE1 H 1 6.99 0.05 . 2 . . . . 88 Phe HE1 . 16388 1 1027 . 1 1 88 88 PHE HE2 H 1 6.99 0.05 . 2 . . . . 88 Phe HE2 . 16388 1 1028 . 1 1 88 88 PHE C C 13 171.60 0.5 . 1 . . . . 88 Phe C . 16388 1 1029 . 1 1 88 88 PHE CA C 13 55.101 0.5 . 1 . . . . 88 Phe CA . 16388 1 1030 . 1 1 88 88 PHE CB C 13 42.806 0.5 . 1 . . . . 88 Phe CB . 16388 1 1031 . 1 1 88 88 PHE CD1 C 13 132.6 0.5 . 2 . . . . 88 Phe CD1 . 16388 1 1032 . 1 1 88 88 PHE CD2 C 13 132.6 0.5 . 2 . . . . 88 Phe CD2 . 16388 1 1033 . 1 1 88 88 PHE CE1 C 13 128.0 0.5 . 2 . . . . 88 Phe CE1 . 16388 1 1034 . 1 1 88 88 PHE CE2 C 13 128.0 0.5 . 2 . . . . 88 Phe CE2 . 16388 1 1035 . 1 1 88 88 PHE N N 15 120.732 0.5 . 1 . . . . 88 Phe N . 16388 1 1036 . 1 1 89 89 GLU H H 1 8.532 0.05 . 1 . . . . 89 Glu H . 16388 1 1037 . 1 1 89 89 GLU HA H 1 4.249 0.05 . 1 . . . . 89 Glu HA . 16388 1 1038 . 1 1 89 89 GLU HB2 H 1 2.293 0.05 . 2 . . . . 89 Glu HB2 . 16388 1 1039 . 1 1 89 89 GLU HB3 H 1 2.293 0.05 . 2 . . . . 89 Glu HB3 . 16388 1 1040 . 1 1 89 89 GLU C C 13 173.18 0.5 . 1 . . . . 89 Glu C . 16388 1 1041 . 1 1 89 89 GLU CA C 13 56.557 0.5 . 1 . . . . 89 Glu CA . 16388 1 1042 . 1 1 89 89 GLU CB C 13 32.189 0.5 . 1 . . . . 89 Glu CB . 16388 1 1043 . 1 1 89 89 GLU N N 15 120.759 0.5 . 1 . . . . 89 Glu N . 16388 1 1044 . 1 1 90 90 THR H H 1 9.073 0.05 . 1 . . . . 90 Thr H . 16388 1 1045 . 1 1 90 90 THR HA H 1 4.501 0.05 . 1 . . . . 90 Thr HA . 16388 1 1046 . 1 1 90 90 THR HB H 1 4.099 0.05 . 1 . . . . 90 Thr HB . 16388 1 1047 . 1 1 90 90 THR HG21 H 1 1.371 0.05 . 1 . . . . 90 Thr HG2 . 16388 1 1048 . 1 1 90 90 THR HG22 H 1 1.371 0.05 . 1 . . . . 90 Thr HG2 . 16388 1 1049 . 1 1 90 90 THR HG23 H 1 1.371 0.05 . 1 . . . . 90 Thr HG2 . 16388 1 1050 . 1 1 90 90 THR C C 13 175.80 0.5 . 1 . . . . 90 Thr C . 16388 1 1051 . 1 1 90 90 THR CA C 13 64.318 0.5 . 1 . . . . 90 Thr CA . 16388 1 1052 . 1 1 90 90 THR CB C 13 72.8 0.5 . 1 . . . . 90 Thr CB . 16388 1 1053 . 1 1 90 90 THR CG2 C 13 22.811 0.5 . 1 . . . . 90 Thr CG2 . 16388 1 1054 . 1 1 90 90 THR N N 15 102.709 0.5 . 1 . . . . 90 Thr N . 16388 1 1055 . 1 1 91 91 GLY H H 1 8.626 0.05 . 1 . . . . 91 Gly H . 16388 1 1056 . 1 1 91 91 GLY HA2 H 1 4.056 0.05 . 2 . . . . 91 Gly HA2 . 16388 1 1057 . 1 1 91 91 GLY HA3 H 1 3.858 0.05 . 2 . . . . 91 Gly HA3 . 16388 1 1058 . 1 1 91 91 GLY C C 13 172.74 0.5 . 1 . . . . 91 Gly C . 16388 1 1059 . 1 1 91 91 GLY CA C 13 46.88 0.5 . 1 . . . . 91 Gly CA . 16388 1 1060 . 1 1 91 91 GLY N N 15 110.739 0.5 . 1 . . . . 91 Gly N . 16388 1 1061 . 1 1 92 92 GLY H H 1 9.368 0.05 . 1 . . . . 92 Gly H . 16388 1 1062 . 1 1 92 92 GLY HA2 H 1 3.037 0.05 . 2 . . . . 92 Gly HA2 . 16388 1 1063 . 1 1 92 92 GLY HA3 H 1 3.800 0.05 . 2 . . . . 92 Gly HA3 . 16388 1 1064 . 1 1 92 92 GLY CA C 13 45.213 0.5 . 1 . . . . 92 Gly CA . 16388 1 1065 . 1 1 92 92 GLY N N 15 107.278 0.5 . 1 . . . . 92 Gly N . 16388 1 1066 . 1 1 93 93 GLY H H 1 8.627 0.05 . 1 . . . . 93 Gly H . 16388 1 1067 . 1 1 93 93 GLY HA2 H 1 4.248 0.05 . 2 . . . . 93 Gly HA2 . 16388 1 1068 . 1 1 93 93 GLY HA3 H 1 3.752 0.05 . 2 . . . . 93 Gly HA3 . 16388 1 1069 . 1 1 93 93 GLY C C 13 170.46 0.5 . 1 . . . . 93 Gly C . 16388 1 1070 . 1 1 93 93 GLY CA C 13 45.66 0.5 . 1 . . . . 93 Gly CA . 16388 1 1071 . 1 1 93 93 GLY N N 15 107.978 0.5 . 1 . . . . 93 Gly N . 16388 1 1072 . 1 1 94 94 ASP H H 1 7.559 0.05 . 1 . . . . 94 Asp H . 16388 1 1073 . 1 1 94 94 ASP HA H 1 5.196 0.05 . 1 . . . . 94 Asp HA . 16388 1 1074 . 1 1 94 94 ASP HB2 H 1 2.629 0.05 . 2 . . . . 94 Asp HB2 . 16388 1 1075 . 1 1 94 94 ASP HB3 H 1 2.457 0.05 . 2 . . . . 94 Asp HB3 . 16388 1 1076 . 1 1 94 94 ASP C C 13 172.75 0.5 . 1 . . . . 94 Asp C . 16388 1 1077 . 1 1 94 94 ASP CA C 13 52.499 0.5 . 1 . . . . 94 Asp CA . 16388 1 1078 . 1 1 94 94 ASP CB C 13 44.15 0.5 . 1 . . . . 94 Asp CB . 16388 1 1079 . 1 1 94 94 ASP N N 15 120.563 0.5 . 1 . . . . 94 Asp N . 16388 1 1080 . 1 1 95 95 ASP H H 1 8.475 0.05 . 1 . . . . 95 Asp H . 16388 1 1081 . 1 1 95 95 ASP HA H 1 4.56 0.05 . 1 . . . . 95 Asp HA . 16388 1 1082 . 1 1 95 95 ASP HB2 H 1 2.724 0.05 . 2 . . . . 95 Asp HB2 . 16388 1 1083 . 1 1 95 95 ASP HB3 H 1 2.939 0.05 . 2 . . . . 95 Asp HB3 . 16388 1 1084 . 1 1 95 95 ASP C C 13 176.91 0.5 . 1 . . . . 95 Asp C . 16388 1 1085 . 1 1 95 95 ASP CA C 13 56.54 0.5 . 1 . . . . 95 Asp CA . 16388 1 1086 . 1 1 95 95 ASP CB C 13 39.91 0.5 . 1 . . . . 95 Asp CB . 16388 1 1087 . 1 1 95 95 ASP N N 15 119.7 0.5 . 1 . . . . 95 Asp N . 16388 1 1088 . 1 1 96 96 GLU H H 1 8.286 0.05 . 1 . . . . 96 Glu H . 16388 1 1089 . 1 1 96 96 GLU HA H 1 4.485 0.05 . 1 . . . . 96 Glu HA . 16388 1 1090 . 1 1 96 96 GLU HB2 H 1 1.67 0.05 . 2 . . . . 96 Glu HB2 . 16388 1 1091 . 1 1 96 96 GLU HB3 H 1 2.03 0.05 . 2 . . . . 96 Glu HB3 . 16388 1 1092 . 1 1 96 96 GLU HG2 H 1 2.201 0.05 . 2 . . . . 96 Glu HG2 . 16388 1 1093 . 1 1 96 96 GLU HG3 H 1 2.091 0.05 . 2 . . . . 96 Glu HG3 . 16388 1 1094 . 1 1 96 96 GLU CA C 13 56.05 0.5 . 1 . . . . 96 Glu CA . 16388 1 1095 . 1 1 96 96 GLU CB C 13 30.18 0.5 . 1 . . . . 96 Glu CB . 16388 1 1096 . 1 1 96 96 GLU CG C 13 35.6 0.5 . 1 . . . . 96 Glu CG . 16388 1 1097 . 1 1 96 96 GLU N N 15 122.4 0.5 . 1 . . . . 96 Glu N . 16388 1 1098 . 1 1 97 97 PRO HA H 1 4.491 0.05 . 1 . . . . 97 Pro HA . 16388 1 1099 . 1 1 97 97 PRO HB2 H 1 2.267 0.05 . 2 . . . . 97 Pro HB2 . 16388 1 1100 . 1 1 97 97 PRO HB3 H 1 1.871 0.05 . 2 . . . . 97 Pro HB3 . 16388 1 1101 . 1 1 97 97 PRO HD2 H 1 3.695 0.05 . 2 . . . . 97 Pro HD2 . 16388 1 1102 . 1 1 97 97 PRO HD3 H 1 3.92 0.05 . 2 . . . . 97 Pro HD3 . 16388 1 1103 . 1 1 97 97 PRO HG2 H 1 2.10 0.05 . 2 . . . . 97 Pro HG2 . 16388 1 1104 . 1 1 97 97 PRO HG3 H 1 2.10 0.05 . 2 . . . . 97 Pro HG3 . 16388 1 1105 . 1 1 97 97 PRO C C 13 175.64 0.5 . 1 . . . . 97 Pro C . 16388 1 1106 . 1 1 97 97 PRO CA C 13 62.861 0.5 . 1 . . . . 97 Pro CA . 16388 1 1107 . 1 1 97 97 PRO CB C 13 31.503 0.5 . 1 . . . . 97 Pro CB . 16388 1 1108 . 1 1 97 97 PRO CD C 13 50.02 0.5 . 1 . . . . 97 Pro CD . 16388 1 1109 . 1 1 97 97 PRO CG C 13 28.18 0.5 . 1 . . . . 97 Pro CG . 16388 1 1110 . 1 1 98 98 ILE H H 1 8.710 0.05 . 1 . . . . 98 Ile H . 16388 1 1111 . 1 1 98 98 ILE HA H 1 4.24 0.05 . 1 . . . . 98 Ile HA . 16388 1 1112 . 1 1 98 98 ILE HB H 1 1.877 0.05 . 1 . . . . 98 Ile HB . 16388 1 1113 . 1 1 98 98 ILE HD11 H 1 0.77 0.05 . 1 . . . . 98 Ile HD1 . 16388 1 1114 . 1 1 98 98 ILE HD12 H 1 0.77 0.05 . 1 . . . . 98 Ile HD1 . 16388 1 1115 . 1 1 98 98 ILE HD13 H 1 0.77 0.05 . 1 . . . . 98 Ile HD1 . 16388 1 1116 . 1 1 98 98 ILE HG12 H 1 0.89 0.05 . 2 . . . . 98 Ile HG12 . 16388 1 1117 . 1 1 98 98 ILE HG13 H 1 0.89 0.05 . 2 . . . . 98 Ile HG13 . 16388 1 1118 . 1 1 98 98 ILE HG21 H 1 0.992 0.05 . 1 . . . . 98 Ile HG2 . 16388 1 1119 . 1 1 98 98 ILE HG22 H 1 0.992 0.05 . 1 . . . . 98 Ile HG2 . 16388 1 1120 . 1 1 98 98 ILE HG23 H 1 0.992 0.05 . 1 . . . . 98 Ile HG2 . 16388 1 1121 . 1 1 98 98 ILE C C 13 173.75 0.5 . 1 . . . . 98 Ile C . 16388 1 1122 . 1 1 98 98 ILE CA C 13 64.404 0.5 . 1 . . . . 98 Ile CA . 16388 1 1123 . 1 1 98 98 ILE CB C 13 39.601 0.5 . 1 . . . . 98 Ile CB . 16388 1 1124 . 1 1 98 98 ILE CD1 C 13 16.31 0.5 . 1 . . . . 98 Ile CD1 . 16388 1 1125 . 1 1 98 98 ILE CG1 C 13 25.01 0.5 . 1 . . . . 98 Ile CG1 . 16388 1 1126 . 1 1 98 98 ILE CG2 C 13 16.80 0.5 . 1 . . . . 98 Ile CG2 . 16388 1 1127 . 1 1 98 98 ILE N N 15 126.307 0.5 . 1 . . . . 98 Ile N . 16388 1 1128 . 1 1 99 99 ASP H H 1 8.62 0.05 . 1 . . . . 99 Asp H . 16388 1 1129 . 1 1 99 99 ASP HA H 1 4.662 0.05 . 1 . . . . 99 Asp HA . 16388 1 1130 . 1 1 99 99 ASP HB2 H 1 2.744 0.05 . 2 . . . . 99 Asp HB2 . 16388 1 1131 . 1 1 99 99 ASP HB3 H 1 2.637 0.05 . 2 . . . . 99 Asp HB3 . 16388 1 1132 . 1 1 99 99 ASP CA C 13 60.160 0.5 . 1 . . . . 99 Asp CA . 16388 1 1133 . 1 1 99 99 ASP CB C 13 38.364 0.5 . 1 . . . . 99 Asp CB . 16388 1 1134 . 1 1 99 99 ASP N N 15 122.4 0.5 . 1 . . . . 99 Asp N . 16388 1 1135 . 1 1 100 100 PRO HA H 1 4.356 0.05 . 1 . . . . 100 Pro HA . 16388 1 1136 . 1 1 100 100 PRO HB2 H 1 2.336 0.05 . 2 . . . . 100 Pro HB2 . 16388 1 1137 . 1 1 100 100 PRO HB3 H 1 1.761 0.05 . 2 . . . . 100 Pro HB3 . 16388 1 1138 . 1 1 100 100 PRO HD2 H 1 3.678 0.05 . 2 . . . . 100 Pro HD2 . 16388 1 1139 . 1 1 100 100 PRO HD3 H 1 3.678 0.05 . 2 . . . . 100 Pro HD3 . 16388 1 1140 . 1 1 100 100 PRO HG2 H 1 2.05 0.05 . 2 . . . . 100 Pro HG2 . 16388 1 1141 . 1 1 100 100 PRO HG3 H 1 1.96 0.05 . 2 . . . . 100 Pro HG3 . 16388 1 1142 . 1 1 100 100 PRO C C 13 175.87 0.5 . 1 . . . . 100 Pro C . 16388 1 1143 . 1 1 100 100 PRO CA C 13 65.670 0.5 . 1 . . . . 100 Pro CA . 16388 1 1144 . 1 1 100 100 PRO CB C 13 31.143 0.5 . 1 . . . . 100 Pro CB . 16388 1 1145 . 1 1 100 100 PRO CD C 13 50.35 0.5 . 1 . . . . 100 Pro CD . 16388 1 1146 . 1 1 100 100 PRO CG C 13 27.9 0.5 . 1 . . . . 100 Pro CG . 16388 1 1147 . 1 1 101 101 LEU H H 1 6.713 0.05 . 1 . . . . 101 Leu H . 16388 1 1148 . 1 1 101 101 LEU HA H 1 4.181 0.05 . 1 . . . . 101 Leu HA . 16388 1 1149 . 1 1 101 101 LEU HB2 H 1 1.581 0.05 . 2 . . . . 101 Leu HB2 . 16388 1 1150 . 1 1 101 101 LEU HB3 H 1 1.970 0.05 . 2 . . . . 101 Leu HB3 . 16388 1 1151 . 1 1 101 101 LEU HD11 H 1 0.97 0.05 . 2 . . . . 101 Leu HD1 . 16388 1 1152 . 1 1 101 101 LEU HD12 H 1 0.97 0.05 . 2 . . . . 101 Leu HD1 . 16388 1 1153 . 1 1 101 101 LEU HD13 H 1 0.97 0.05 . 2 . . . . 101 Leu HD1 . 16388 1 1154 . 1 1 101 101 LEU HD21 H 1 0.97 0.05 . 2 . . . . 101 Leu HD2 . 16388 1 1155 . 1 1 101 101 LEU HD22 H 1 0.97 0.05 . 2 . . . . 101 Leu HD2 . 16388 1 1156 . 1 1 101 101 LEU HD23 H 1 0.97 0.05 . 2 . . . . 101 Leu HD2 . 16388 1 1157 . 1 1 101 101 LEU HG H 1 1.68 0.05 . 1 . . . . 101 Leu HG . 16388 1 1158 . 1 1 101 101 LEU C C 13 175.55 0.5 . 1 . . . . 101 Leu C . 16388 1 1159 . 1 1 101 101 LEU CA C 13 57.798 0.5 . 1 . . . . 101 Leu CA . 16388 1 1160 . 1 1 101 101 LEU CB C 13 41.190 0.5 . 1 . . . . 101 Leu CB . 16388 1 1161 . 1 1 101 101 LEU CD1 C 13 26.33 0.5 . 2 . . . . 101 Leu CD1 . 16388 1 1162 . 1 1 101 101 LEU CD2 C 13 26.33 0.5 . 2 . . . . 101 Leu CD2 . 16388 1 1163 . 1 1 101 101 LEU CG C 13 28.0 0.5 . 1 . . . . 101 Leu CG . 16388 1 1164 . 1 1 101 101 LEU N N 15 119.440 0.5 . 1 . . . . 101 Leu N . 16388 1 1165 . 1 1 102 102 LEU H H 1 8.466 0.05 . 1 . . . . 102 Leu H . 16388 1 1166 . 1 1 102 102 LEU HA H 1 4.038 0.05 . 1 . . . . 102 Leu HA . 16388 1 1167 . 1 1 102 102 LEU HB2 H 1 2.067 0.05 . 2 . . . . 102 Leu HB2 . 16388 1 1168 . 1 1 102 102 LEU HB3 H 1 1.532 0.05 . 2 . . . . 102 Leu HB3 . 16388 1 1169 . 1 1 102 102 LEU HD11 H 1 0.92 0.05 . 1 . . . . 102 Leu HD1 . 16388 1 1170 . 1 1 102 102 LEU HD12 H 1 0.92 0.05 . 1 . . . . 102 Leu HD1 . 16388 1 1171 . 1 1 102 102 LEU HD13 H 1 0.92 0.05 . 1 . . . . 102 Leu HD1 . 16388 1 1172 . 1 1 102 102 LEU HD21 H 1 0.88 0.05 . 1 . . . . 102 Leu HD2 . 16388 1 1173 . 1 1 102 102 LEU HD22 H 1 0.88 0.05 . 1 . . . . 102 Leu HD2 . 16388 1 1174 . 1 1 102 102 LEU HD23 H 1 0.88 0.05 . 1 . . . . 102 Leu HD2 . 16388 1 1175 . 1 1 102 102 LEU HG H 1 1.723 0.05 . 1 . . . . 102 Leu HG . 16388 1 1176 . 1 1 102 102 LEU C C 13 178.12 0.5 . 1 . . . . 102 Leu C . 16388 1 1177 . 1 1 102 102 LEU CA C 13 58.472 0.5 . 1 . . . . 102 Leu CA . 16388 1 1178 . 1 1 102 102 LEU CB C 13 42.349 0.5 . 1 . . . . 102 Leu CB . 16388 1 1179 . 1 1 102 102 LEU CD1 C 13 25.93 0.5 . 1 . . . . 102 Leu CD1 . 16388 1 1180 . 1 1 102 102 LEU CD2 C 13 24.1 0.5 . 1 . . . . 102 Leu CD2 . 16388 1 1181 . 1 1 102 102 LEU CG C 13 26.56 0.5 . 1 . . . . 102 Leu CG . 16388 1 1182 . 1 1 102 102 LEU N N 15 119.323 0.5 . 1 . . . . 102 Leu N . 16388 1 1183 . 1 1 103 103 SER H H 1 8.263 0.05 . 1 . . . . 103 Ser H . 16388 1 1184 . 1 1 103 103 SER HA H 1 4.010 0.05 . 1 . . . . 103 Ser HA . 16388 1 1185 . 1 1 103 103 SER HB2 H 1 3.96 0.05 . 2 . . . . 103 Ser HB2 . 16388 1 1186 . 1 1 103 103 SER HB3 H 1 3.919 0.05 . 2 . . . . 103 Ser HB3 . 16388 1 1187 . 1 1 103 103 SER C C 13 173.34 0.5 . 1 . . . . 103 Ser C . 16388 1 1188 . 1 1 103 103 SER CA C 13 61.971 0.5 . 1 . . . . 103 Ser CA . 16388 1 1189 . 1 1 103 103 SER CB C 13 62.855 0.5 . 1 . . . . 103 Ser CB . 16388 1 1190 . 1 1 103 103 SER N N 15 113.182 0.5 . 1 . . . . 103 Ser N . 16388 1 1191 . 1 1 104 104 LYS H H 1 7.754 0.05 . 1 . . . . 104 Lys H . 16388 1 1192 . 1 1 104 104 LYS HA H 1 3.974 0.05 . 1 . . . . 104 Lys HA . 16388 1 1193 . 1 1 104 104 LYS HB2 H 1 1.53 0.05 . 2 . . . . 104 Lys HB2 . 16388 1 1194 . 1 1 104 104 LYS HB3 H 1 1.789 0.05 . 2 . . . . 104 Lys HB3 . 16388 1 1195 . 1 1 104 104 LYS HD2 H 1 1.42 0.05 . 2 . . . . 104 Lys HD2 . 16388 1 1196 . 1 1 104 104 LYS HD3 H 1 1.555 0.05 . 2 . . . . 104 Lys HD3 . 16388 1 1197 . 1 1 104 104 LYS HE2 H 1 2.788 0.05 . 2 . . . . 104 Lys HE2 . 16388 1 1198 . 1 1 104 104 LYS HE3 H 1 2.814 0.05 . 2 . . . . 104 Lys HE3 . 16388 1 1199 . 1 1 104 104 LYS HG2 H 1 1.683 0.05 . 2 . . . . 104 Lys HG2 . 16388 1 1200 . 1 1 104 104 LYS HG3 H 1 1.296 0.05 . 2 . . . . 104 Lys HG3 . 16388 1 1201 . 1 1 104 104 LYS C C 13 177.08 0.5 . 1 . . . . 104 Lys C . 16388 1 1202 . 1 1 104 104 LYS CA C 13 60.17 0.5 . 1 . . . . 104 Lys CA . 16388 1 1203 . 1 1 104 104 LYS CB C 13 32.21 0.5 . 1 . . . . 104 Lys CB . 16388 1 1204 . 1 1 104 104 LYS CD C 13 29.4 0.5 . 1 . . . . 104 Lys CD . 16388 1 1205 . 1 1 104 104 LYS CE C 13 41.88 0.5 . 1 . . . . 104 Lys CE . 16388 1 1206 . 1 1 104 104 LYS CG C 13 25.98 0.5 . 1 . . . . 104 Lys CG . 16388 1 1207 . 1 1 104 104 LYS N N 15 121.810 0.5 . 1 . . . . 104 Lys N . 16388 1 1208 . 1 1 105 105 PHE H H 1 7.64 0.05 . 1 . . . . 105 Phe H . 16388 1 1209 . 1 1 105 105 PHE HA H 1 4.24 0.05 . 1 . . . . 105 Phe HA . 16388 1 1210 . 1 1 105 105 PHE HB2 H 1 2.93 0.05 . 2 . . . . 105 Phe HB2 . 16388 1 1211 . 1 1 105 105 PHE HB3 H 1 2.93 0.05 . 2 . . . . 105 Phe HB3 . 16388 1 1212 . 1 1 105 105 PHE HD1 H 1 7.20 0.05 . 2 . . . . 105 Phe HD1 . 16388 1 1213 . 1 1 105 105 PHE HD2 H 1 7.20 0.05 . 2 . . . . 105 Phe HD2 . 16388 1 1214 . 1 1 105 105 PHE HE1 H 1 6.96 0.05 . 2 . . . . 105 Phe HE1 . 16388 1 1215 . 1 1 105 105 PHE HE2 H 1 6.96 0.05 . 2 . . . . 105 Phe HE2 . 16388 1 1216 . 1 1 105 105 PHE HZ H 1 6.76 0.05 . 1 . . . . 105 Phe HZ . 16388 1 1217 . 1 1 105 105 PHE C C 13 175.29 0.5 . 1 . . . . 105 Phe C . 16388 1 1218 . 1 1 105 105 PHE CA C 13 62.86 0.5 . 1 . . . . 105 Phe CA . 16388 1 1219 . 1 1 105 105 PHE CB C 13 39.39 0.5 . 1 . . . . 105 Phe CB . 16388 1 1220 . 1 1 105 105 PHE CD1 C 13 131.8 0.5 . 2 . . . . 105 Phe CD1 . 16388 1 1221 . 1 1 105 105 PHE CD2 C 13 131.8 0.5 . 2 . . . . 105 Phe CD2 . 16388 1 1222 . 1 1 105 105 PHE CE1 C 13 130.5 0.5 . 2 . . . . 105 Phe CE1 . 16388 1 1223 . 1 1 105 105 PHE CE2 C 13 130.5 0.5 . 2 . . . . 105 Phe CE2 . 16388 1 1224 . 1 1 105 105 PHE CZ C 13 128.8 0.5 . 1 . . . . 105 Phe CZ . 16388 1 1225 . 1 1 105 105 PHE N N 15 115.2 0.5 . 1 . . . . 105 Phe N . 16388 1 1226 . 1 1 106 106 ARG H H 1 8.26 0.05 . 1 . . . . 106 Arg H . 16388 1 1227 . 1 1 106 106 ARG HA H 1 4.164 0.05 . 1 . . . . 106 Arg HA . 16388 1 1228 . 1 1 106 106 ARG HB2 H 1 1.958 0.05 . 2 . . . . 106 Arg HB2 . 16388 1 1229 . 1 1 106 106 ARG HB3 H 1 1.958 0.05 . 2 . . . . 106 Arg HB3 . 16388 1 1230 . 1 1 106 106 ARG HD2 H 1 3.267 0.05 . 2 . . . . 106 Arg HD2 . 16388 1 1231 . 1 1 106 106 ARG HD3 H 1 3.267 0.05 . 2 . . . . 106 Arg HD3 . 16388 1 1232 . 1 1 106 106 ARG HG2 H 1 1.792 0.05 . 2 . . . . 106 Arg HG2 . 16388 1 1233 . 1 1 106 106 ARG HG3 H 1 1.616 0.05 . 2 . . . . 106 Arg HG3 . 16388 1 1234 . 1 1 106 106 ARG C C 13 178.53 0.5 . 1 . . . . 106 Arg C . 16388 1 1235 . 1 1 106 106 ARG CA C 13 59.772 0.5 . 1 . . . . 106 Arg CA . 16388 1 1236 . 1 1 106 106 ARG CB C 13 30.144 0.5 . 1 . . . . 106 Arg CB . 16388 1 1237 . 1 1 106 106 ARG CD C 13 43.67 0.5 . 1 . . . . 106 Arg CD . 16388 1 1238 . 1 1 106 106 ARG CG C 13 27.4 0.5 . 1 . . . . 106 Arg CG . 16388 1 1239 . 1 1 106 106 ARG N N 15 120.3 0.5 . 1 . . . . 106 Arg N . 16388 1 1240 . 1 1 107 107 ASN H H 1 8.568 0.05 . 1 . . . . 107 Asn H . 16388 1 1241 . 1 1 107 107 ASN HA H 1 4.514 0.05 . 1 . . . . 107 Asn HA . 16388 1 1242 . 1 1 107 107 ASN HB2 H 1 2.863 0.05 . 2 . . . . 107 Asn HB2 . 16388 1 1243 . 1 1 107 107 ASN HB3 H 1 2.863 0.05 . 2 . . . . 107 Asn HB3 . 16388 1 1244 . 1 1 107 107 ASN HD21 H 1 7.537 0.05 . 2 . . . . 107 Asn HD21 . 16388 1 1245 . 1 1 107 107 ASN HD22 H 1 6.956 0.05 . 2 . . . . 107 Asn HD22 . 16388 1 1246 . 1 1 107 107 ASN C C 13 174.23 0.5 . 1 . . . . 107 Asn C . 16388 1 1247 . 1 1 107 107 ASN CA C 13 55.694 0.5 . 1 . . . . 107 Asn CA . 16388 1 1248 . 1 1 107 107 ASN CB C 13 37.964 0.5 . 1 . . . . 107 Asn CB . 16388 1 1249 . 1 1 107 107 ASN N N 15 119.799 0.5 . 1 . . . . 107 Asn N . 16388 1 1250 . 1 1 107 107 ASN ND2 N 15 112.3 0.5 . 1 . . . . 107 Asn ND2 . 16388 1 1251 . 1 1 108 108 LEU H H 1 7.425 0.05 . 1 . . . . 108 Leu H . 16388 1 1252 . 1 1 108 108 LEU HA H 1 4.303 0.05 . 1 . . . . 108 Leu HA . 16388 1 1253 . 1 1 108 108 LEU HB2 H 1 1.913 0.05 . 2 . . . . 108 Leu HB2 . 16388 1 1254 . 1 1 108 108 LEU HB3 H 1 1.466 0.05 . 2 . . . . 108 Leu HB3 . 16388 1 1255 . 1 1 108 108 LEU HD11 H 1 0.874 0.05 . 2 . . . . 108 Leu HD1 . 16388 1 1256 . 1 1 108 108 LEU HD12 H 1 0.874 0.05 . 2 . . . . 108 Leu HD1 . 16388 1 1257 . 1 1 108 108 LEU HD13 H 1 0.874 0.05 . 2 . . . . 108 Leu HD1 . 16388 1 1258 . 1 1 108 108 LEU HD21 H 1 0.715 0.05 . 2 . . . . 108 Leu HD2 . 16388 1 1259 . 1 1 108 108 LEU HD22 H 1 0.715 0.05 . 2 . . . . 108 Leu HD2 . 16388 1 1260 . 1 1 108 108 LEU HD23 H 1 0.715 0.05 . 2 . . . . 108 Leu HD2 . 16388 1 1261 . 1 1 108 108 LEU HG H 1 1.726 0.05 . 1 . . . . 108 Leu HG . 16388 1 1262 . 1 1 108 108 LEU C C 13 174.05 0.5 . 1 . . . . 108 Leu C . 16388 1 1263 . 1 1 108 108 LEU CA C 13 55.860 0.5 . 1 . . . . 108 Leu CA . 16388 1 1264 . 1 1 108 108 LEU CB C 13 43.225 0.5 . 1 . . . . 108 Leu CB . 16388 1 1265 . 1 1 108 108 LEU CD1 C 13 22.2 0.5 . 2 . . . . 108 Leu CD1 . 16388 1 1266 . 1 1 108 108 LEU CD2 C 13 26.19 0.5 . 2 . . . . 108 Leu CD2 . 16388 1 1267 . 1 1 108 108 LEU CG C 13 26.88 0.5 . 1 . . . . 108 Leu CG . 16388 1 1268 . 1 1 108 108 LEU N N 15 119.856 0.5 . 1 . . . . 108 Leu N . 16388 1 1269 . 1 1 109 109 GLY H H 1 7.781 0.05 . 1 . . . . 109 Gly H . 16388 1 1270 . 1 1 109 109 GLY HA2 H 1 4.316 0.05 . 2 . . . . 109 Gly HA2 . 16388 1 1271 . 1 1 109 109 GLY HA3 H 1 3.734 0.05 . 2 . . . . 109 Gly HA3 . 16388 1 1272 . 1 1 109 109 GLY C C 13 170.94 0.5 . 1 . . . . 109 Gly C . 16388 1 1273 . 1 1 109 109 GLY CA C 13 44.986 0.5 . 1 . . . . 109 Gly CA . 16388 1 1274 . 1 1 109 109 GLY N N 15 105.580 0.5 . 1 . . . . 109 Gly N . 16388 1 1275 . 1 1 110 110 LEU H H 1 7.244 0.05 . 1 . . . . 110 Leu H . 16388 1 1276 . 1 1 110 110 LEU HA H 1 4.382 0.05 . 1 . . . . 110 Leu HA . 16388 1 1277 . 1 1 110 110 LEU HB2 H 1 1.163 0.05 . 2 . . . . 110 Leu HB2 . 16388 1 1278 . 1 1 110 110 LEU HB3 H 1 1.516 0.05 . 2 . . . . 110 Leu HB3 . 16388 1 1279 . 1 1 110 110 LEU HD11 H 1 0.83 0.05 . 1 . . . . 110 Leu HD1 . 16388 1 1280 . 1 1 110 110 LEU HD12 H 1 0.83 0.05 . 1 . . . . 110 Leu HD1 . 16388 1 1281 . 1 1 110 110 LEU HD13 H 1 0.83 0.05 . 1 . . . . 110 Leu HD1 . 16388 1 1282 . 1 1 110 110 LEU HD21 H 1 0.598 0.05 . 1 . . . . 110 Leu HD2 . 16388 1 1283 . 1 1 110 110 LEU HD22 H 1 0.598 0.05 . 1 . . . . 110 Leu HD2 . 16388 1 1284 . 1 1 110 110 LEU HD23 H 1 0.598 0.05 . 1 . . . . 110 Leu HD2 . 16388 1 1285 . 1 1 110 110 LEU C C 13 175.76 0.5 . 1 . . . . 110 Leu C . 16388 1 1286 . 1 1 110 110 LEU CA C 13 59.140 0.5 . 1 . . . . 110 Leu CA . 16388 1 1287 . 1 1 110 110 LEU CB C 13 43.030 0.5 . 1 . . . . 110 Leu CB . 16388 1 1288 . 1 1 110 110 LEU CD1 C 13 25.66 0.5 . 1 . . . . 110 Leu CD1 . 16388 1 1289 . 1 1 110 110 LEU CD2 C 13 27.69 0.5 . 1 . . . . 110 Leu CD2 . 16388 1 1290 . 1 1 110 110 LEU N N 15 119.885 0.5 . 1 . . . . 110 Leu N . 16388 1 1291 . 1 1 111 111 THR H H 1 8.095 0.05 . 1 . . . . 111 Thr H . 16388 1 1292 . 1 1 111 111 THR HA H 1 4.089 0.05 . 1 . . . . 111 Thr HA . 16388 1 1293 . 1 1 111 111 THR HB H 1 3.486 0.05 . 1 . . . . 111 Thr HB . 16388 1 1294 . 1 1 111 111 THR HG21 H 1 0.793 0.05 . 1 . . . . 111 Thr HG2 . 16388 1 1295 . 1 1 111 111 THR HG22 H 1 0.793 0.05 . 1 . . . . 111 Thr HG2 . 16388 1 1296 . 1 1 111 111 THR HG23 H 1 0.793 0.05 . 1 . . . . 111 Thr HG2 . 16388 1 1297 . 1 1 111 111 THR C C 13 170.90 0.5 . 1 . . . . 111 Thr C . 16388 1 1298 . 1 1 111 111 THR CA C 13 63.53 0.5 . 1 . . . . 111 Thr CA . 16388 1 1299 . 1 1 111 111 THR CB C 13 70.523 0.5 . 1 . . . . 111 Thr CB . 16388 1 1300 . 1 1 111 111 THR CG2 C 13 20.75 0.5 . 1 . . . . 111 Thr CG2 . 16388 1 1301 . 1 1 111 111 THR N N 15 119.891 0.5 . 1 . . . . 111 Thr N . 16388 1 1302 . 1 1 112 112 THR H H 1 8.872 0.05 . 1 . . . . 112 Thr H . 16388 1 1303 . 1 1 112 112 THR HA H 1 3.96 0.05 . 1 . . . . 112 Thr HA . 16388 1 1304 . 1 1 112 112 THR HB H 1 4.15 0.05 . 1 . . . . 112 Thr HB . 16388 1 1305 . 1 1 112 112 THR HG21 H 1 1.043 0.05 . 1 . . . . 112 Thr HG2 . 16388 1 1306 . 1 1 112 112 THR HG22 H 1 1.043 0.05 . 1 . . . . 112 Thr HG2 . 16388 1 1307 . 1 1 112 112 THR HG23 H 1 1.043 0.05 . 1 . . . . 112 Thr HG2 . 16388 1 1308 . 1 1 112 112 THR C C 13 171.21 0.5 . 1 . . . . 112 Thr C . 16388 1 1309 . 1 1 112 112 THR CA C 13 62.673 0.5 . 1 . . . . 112 Thr CA . 16388 1 1310 . 1 1 112 112 THR CB C 13 68.458 0.5 . 1 . . . . 112 Thr CB . 16388 1 1311 . 1 1 112 112 THR CG2 C 13 22.18 0.5 . 1 . . . . 112 Thr CG2 . 16388 1 1312 . 1 1 112 112 THR N N 15 124.890 0.5 . 1 . . . . 112 Thr N . 16388 1 1313 . 1 1 113 113 ALA H H 1 8.526 0.05 . 1 . . . . 113 Ala H . 16388 1 1314 . 1 1 113 113 ALA HA H 1 3.577 0.05 . 1 . . . . 113 Ala HA . 16388 1 1315 . 1 1 113 113 ALA HB1 H 1 0.754 0.05 . 1 . . . . 113 Ala HB . 16388 1 1316 . 1 1 113 113 ALA HB2 H 1 0.754 0.05 . 1 . . . . 113 Ala HB . 16388 1 1317 . 1 1 113 113 ALA HB3 H 1 0.754 0.05 . 1 . . . . 113 Ala HB . 16388 1 1318 . 1 1 113 113 ALA C C 13 173.02 0.5 . 1 . . . . 113 Ala C . 16388 1 1319 . 1 1 113 113 ALA CA C 13 53.120 0.5 . 1 . . . . 113 Ala CA . 16388 1 1320 . 1 1 113 113 ALA CB C 13 21.690 0.5 . 1 . . . . 113 Ala CB . 16388 1 1321 . 1 1 113 113 ALA N N 15 132.160 0.5 . 1 . . . . 113 Ala N . 16388 1 1322 . 1 1 114 114 PHE H H 1 6.745 0.05 . 1 . . . . 114 Phe H . 16388 1 1323 . 1 1 114 114 PHE HA H 1 4.90 0.05 . 1 . . . . 114 Phe HA . 16388 1 1324 . 1 1 114 114 PHE HB2 H 1 3.433 0.05 . 2 . . . . 114 Phe HB2 . 16388 1 1325 . 1 1 114 114 PHE HB3 H 1 3.044 0.05 . 2 . . . . 114 Phe HB3 . 16388 1 1326 . 1 1 114 114 PHE HD1 H 1 7.18 0.05 . 2 . . . . 114 Phe HD1 . 16388 1 1327 . 1 1 114 114 PHE HD2 H 1 7.18 0.05 . 2 . . . . 114 Phe HD2 . 16388 1 1328 . 1 1 114 114 PHE HE1 H 1 6.948 0.05 . 2 . . . . 114 Phe HE1 . 16388 1 1329 . 1 1 114 114 PHE HE2 H 1 6.948 0.05 . 2 . . . . 114 Phe HE2 . 16388 1 1330 . 1 1 114 114 PHE CA C 13 52.862 0.5 . 1 . . . . 114 Phe CA . 16388 1 1331 . 1 1 114 114 PHE CB C 13 37.244 0.5 . 1 . . . . 114 Phe CB . 16388 1 1332 . 1 1 114 114 PHE CD1 C 13 131.3 0.5 . 2 . . . . 114 Phe CD1 . 16388 1 1333 . 1 1 114 114 PHE CD2 C 13 131.3 0.5 . 2 . . . . 114 Phe CD2 . 16388 1 1334 . 1 1 114 114 PHE CE1 C 13 131.0 0.5 . 2 . . . . 114 Phe CE1 . 16388 1 1335 . 1 1 114 114 PHE CE2 C 13 131.0 0.5 . 2 . . . . 114 Phe CE2 . 16388 1 1336 . 1 1 114 114 PHE N N 15 109.240 0.5 . 1 . . . . 114 Phe N . 16388 1 1337 . 1 1 115 115 PRO HA H 1 4.390 0.05 . 1 . . . . 115 Pro HA . 16388 1 1338 . 1 1 115 115 PRO HB2 H 1 2.385 0.05 . 2 . . . . 115 Pro HB2 . 16388 1 1339 . 1 1 115 115 PRO HB3 H 1 1.968 0.05 . 2 . . . . 115 Pro HB3 . 16388 1 1340 . 1 1 115 115 PRO HD2 H 1 3.77 0.05 . 2 . . . . 115 Pro HD2 . 16388 1 1341 . 1 1 115 115 PRO HD3 H 1 3.88 0.05 . 2 . . . . 115 Pro HD3 . 16388 1 1342 . 1 1 115 115 PRO HG2 H 1 1.963 0.05 . 2 . . . . 115 Pro HG2 . 16388 1 1343 . 1 1 115 115 PRO HG3 H 1 2.217 0.05 . 2 . . . . 115 Pro HG3 . 16388 1 1344 . 1 1 115 115 PRO C C 13 173.48 0.5 . 1 . . . . 115 Pro C . 16388 1 1345 . 1 1 115 115 PRO CA C 13 62.750 0.5 . 1 . . . . 115 Pro CA . 16388 1 1346 . 1 1 115 115 PRO CB C 13 31.480 0.5 . 1 . . . . 115 Pro CB . 16388 1 1347 . 1 1 115 115 PRO CD C 13 50.51 0.5 . 1 . . . . 115 Pro CD . 16388 1 1348 . 1 1 115 115 PRO CG C 13 28.19 0.5 . 1 . . . . 115 Pro CG . 16388 1 1349 . 1 1 116 116 ALA H H 1 8.163 0.05 . 1 . . . . 116 Ala H . 16388 1 1350 . 1 1 116 116 ALA HA H 1 4.619 0.05 . 1 . . . . 116 Ala HA . 16388 1 1351 . 1 1 116 116 ALA HB1 H 1 1.324 0.05 . 1 . . . . 116 Ala HB . 16388 1 1352 . 1 1 116 116 ALA HB2 H 1 1.324 0.05 . 1 . . . . 116 Ala HB . 16388 1 1353 . 1 1 116 116 ALA HB3 H 1 1.324 0.05 . 1 . . . . 116 Ala HB . 16388 1 1354 . 1 1 116 116 ALA C C 13 175.69 0.5 . 1 . . . . 116 Ala C . 16388 1 1355 . 1 1 116 116 ALA CA C 13 53.034 0.5 . 1 . . . . 116 Ala CA . 16388 1 1356 . 1 1 116 116 ALA CB C 13 19.277 0.5 . 1 . . . . 116 Ala CB . 16388 1 1357 . 1 1 116 116 ALA N N 15 125.436 0.5 . 1 . . . . 116 Ala N . 16388 1 1358 . 1 1 117 117 ILE H H 1 8.527 0.05 . 1 . . . . 117 Ile H . 16388 1 1359 . 1 1 117 117 ILE HA H 1 4.037 0.05 . 1 . . . . 117 Ile HA . 16388 1 1360 . 1 1 117 117 ILE HB H 1 2.017 0.05 . 1 . . . . 117 Ile HB . 16388 1 1361 . 1 1 117 117 ILE HD11 H 1 0.675 0.05 . 1 . . . . 117 Ile HD1 . 16388 1 1362 . 1 1 117 117 ILE HD12 H 1 0.675 0.05 . 1 . . . . 117 Ile HD1 . 16388 1 1363 . 1 1 117 117 ILE HD13 H 1 0.675 0.05 . 1 . . . . 117 Ile HD1 . 16388 1 1364 . 1 1 117 117 ILE HG12 H 1 1.959 0.05 . 2 . . . . 117 Ile HG12 . 16388 1 1365 . 1 1 117 117 ILE HG13 H 1 1.154 0.05 . 2 . . . . 117 Ile HG13 . 16388 1 1366 . 1 1 117 117 ILE HG21 H 1 0.802 0.05 . 1 . . . . 117 Ile HG2 . 16388 1 1367 . 1 1 117 117 ILE HG22 H 1 0.802 0.05 . 1 . . . . 117 Ile HG2 . 16388 1 1368 . 1 1 117 117 ILE HG23 H 1 0.802 0.05 . 1 . . . . 117 Ile HG2 . 16388 1 1369 . 1 1 117 117 ILE C C 13 171.46 0.5 . 1 . . . . 117 Ile C . 16388 1 1370 . 1 1 117 117 ILE CA C 13 61.931 0.5 . 1 . . . . 117 Ile CA . 16388 1 1371 . 1 1 117 117 ILE CB C 13 38.234 0.5 . 1 . . . . 117 Ile CB . 16388 1 1372 . 1 1 117 117 ILE CD1 C 13 13.96 0.5 . 1 . . . . 117 Ile CD1 . 16388 1 1373 . 1 1 117 117 ILE CG1 C 13 27.56 0.5 . 1 . . . . 117 Ile CG1 . 16388 1 1374 . 1 1 117 117 ILE CG2 C 13 16.36 0.5 . 1 . . . . 117 Ile CG2 . 16388 1 1375 . 1 1 117 117 ILE N N 15 125.137 0.5 . 1 . . . . 117 Ile N . 16388 1 1376 . 1 1 118 118 ARG H H 1 8.218 0.05 . 1 . . . . 118 Arg H . 16388 1 1377 . 1 1 118 118 ARG HA H 1 4.663 0.05 . 1 . . . . 118 Arg HA . 16388 1 1378 . 1 1 118 118 ARG HB2 H 1 1.595 0.05 . 2 . . . . 118 Arg HB2 . 16388 1 1379 . 1 1 118 118 ARG HB3 H 1 1.595 0.05 . 2 . . . . 118 Arg HB3 . 16388 1 1380 . 1 1 118 118 ARG HD2 H 1 3.16 0.05 . 2 . . . . 118 Arg HD2 . 16388 1 1381 . 1 1 118 118 ARG HD3 H 1 3.25 0.05 . 2 . . . . 118 Arg HD3 . 16388 1 1382 . 1 1 118 118 ARG HG2 H 1 1.615 0.05 . 2 . . . . 118 Arg HG2 . 16388 1 1383 . 1 1 118 118 ARG HG3 H 1 1.615 0.05 . 2 . . . . 118 Arg HG3 . 16388 1 1384 . 1 1 118 118 ARG C C 13 173.54 0.5 . 1 . . . . 118 Arg C . 16388 1 1385 . 1 1 118 118 ARG CA C 13 54.948 0.5 . 1 . . . . 118 Arg CA . 16388 1 1386 . 1 1 118 118 ARG CB C 13 30.471 0.5 . 1 . . . . 118 Arg CB . 16388 1 1387 . 1 1 118 118 ARG CD C 13 43.11 0.5 . 1 . . . . 118 Arg CD . 16388 1 1388 . 1 1 118 118 ARG CG C 13 28.15 0.5 . 1 . . . . 118 Arg CG . 16388 1 1389 . 1 1 118 118 ARG N N 15 127.388 0.5 . 1 . . . . 118 Arg N . 16388 1 1390 . 1 1 119 119 ILE H H 1 9.403 0.05 . 1 . . . . 119 Ile H . 16388 1 1391 . 1 1 119 119 ILE HA H 1 4.288 0.05 . 1 . . . . 119 Ile HA . 16388 1 1392 . 1 1 119 119 ILE HB H 1 1.787 0.05 . 1 . . . . 119 Ile HB . 16388 1 1393 . 1 1 119 119 ILE HD11 H 1 0.512 0.05 . 1 . . . . 119 Ile HD1 . 16388 1 1394 . 1 1 119 119 ILE HD12 H 1 0.512 0.05 . 1 . . . . 119 Ile HD1 . 16388 1 1395 . 1 1 119 119 ILE HD13 H 1 0.512 0.05 . 1 . . . . 119 Ile HD1 . 16388 1 1396 . 1 1 119 119 ILE HG12 H 1 1.159 0.05 . 2 . . . . 119 Ile HG12 . 16388 1 1397 . 1 1 119 119 ILE HG13 H 1 1.040 0.05 . 2 . . . . 119 Ile HG13 . 16388 1 1398 . 1 1 119 119 ILE HG21 H 1 0.587 0.05 . 1 . . . . 119 Ile HG2 . 16388 1 1399 . 1 1 119 119 ILE HG22 H 1 0.587 0.05 . 1 . . . . 119 Ile HG2 . 16388 1 1400 . 1 1 119 119 ILE HG23 H 1 0.587 0.05 . 1 . . . . 119 Ile HG2 . 16388 1 1401 . 1 1 119 119 ILE C C 13 172.01 0.5 . 1 . . . . 119 Ile C . 16388 1 1402 . 1 1 119 119 ILE CA C 13 58.694 0.5 . 1 . . . . 119 Ile CA . 16388 1 1403 . 1 1 119 119 ILE CB C 13 38.593 0.5 . 1 . . . . 119 Ile CB . 16388 1 1404 . 1 1 119 119 ILE CD1 C 13 12.646 0.5 . 1 . . . . 119 Ile CD1 . 16388 1 1405 . 1 1 119 119 ILE CG1 C 13 26.59 0.5 . 1 . . . . 119 Ile CG1 . 16388 1 1406 . 1 1 119 119 ILE CG2 C 13 17.619 0.5 . 1 . . . . 119 Ile CG2 . 16388 1 1407 . 1 1 119 119 ILE N N 15 124.853 0.5 . 1 . . . . 119 Ile N . 16388 1 1408 . 1 1 120 120 LYS H H 1 8.747 0.05 . 1 . . . . 120 Lys H . 16388 1 1409 . 1 1 120 120 LYS HA H 1 4.441 0.05 . 1 . . . . 120 Lys HA . 16388 1 1410 . 1 1 120 120 LYS HB2 H 1 1.908 0.05 . 2 . . . . 120 Lys HB2 . 16388 1 1411 . 1 1 120 120 LYS HB3 H 1 1.753 0.05 . 2 . . . . 120 Lys HB3 . 16388 1 1412 . 1 1 120 120 LYS HD2 H 1 1.695 0.05 . 2 . . . . 120 Lys HD2 . 16388 1 1413 . 1 1 120 120 LYS HD3 H 1 1.695 0.05 . 2 . . . . 120 Lys HD3 . 16388 1 1414 . 1 1 120 120 LYS HE2 H 1 3.006 0.05 . 2 . . . . 120 Lys HE2 . 16388 1 1415 . 1 1 120 120 LYS HE3 H 1 3.006 0.05 . 2 . . . . 120 Lys HE3 . 16388 1 1416 . 1 1 120 120 LYS HG2 H 1 1.426 0.05 . 2 . . . . 120 Lys HG2 . 16388 1 1417 . 1 1 120 120 LYS HG3 H 1 1.426 0.05 . 2 . . . . 120 Lys HG3 . 16388 1 1418 . 1 1 120 120 LYS CA C 13 56.23 0.5 . 1 . . . . 120 Lys CA . 16388 1 1419 . 1 1 120 120 LYS CB C 13 33.112 0.5 . 1 . . . . 120 Lys CB . 16388 1 1420 . 1 1 120 120 LYS CD C 13 29.04 0.5 . 1 . . . . 120 Lys CD . 16388 1 1421 . 1 1 120 120 LYS CE C 13 42.36 0.5 . 1 . . . . 120 Lys CE . 16388 1 1422 . 1 1 120 120 LYS CG C 13 24.88 0.5 . 1 . . . . 120 Lys CG . 16388 1 1423 . 1 1 120 120 LYS N N 15 127.512 0.5 . 1 . . . . 120 Lys N . 16388 1 1424 . 1 1 121 121 GLN H H 1 7.939 0.05 . 1 . . . . 121 Gln H . 16388 1 1425 . 1 1 121 121 GLN HA H 1 4.494 0.05 . 1 . . . . 121 Gln HA . 16388 1 1426 . 1 1 121 121 GLN HB2 H 1 2.224 0.05 . 2 . . . . 121 Gln HB2 . 16388 1 1427 . 1 1 121 121 GLN HB3 H 1 2.057 0.05 . 2 . . . . 121 Gln HB3 . 16388 1 1428 . 1 1 121 121 GLN HE21 H 1 7.594 0.05 . 2 . . . . 121 Gln HE21 . 16388 1 1429 . 1 1 121 121 GLN HE22 H 1 6.897 0.05 . 2 . . . . 121 Gln HE22 . 16388 1 1430 . 1 1 121 121 GLN HG2 H 1 2.280 0.05 . 2 . . . . 121 Gln HG2 . 16388 1 1431 . 1 1 121 121 GLN HG3 H 1 2.280 0.05 . 2 . . . . 121 Gln HG3 . 16388 1 1432 . 1 1 121 121 GLN C C 13 170.86 0.5 . 1 . . . . 121 Gln C . 16388 1 1433 . 1 1 121 121 GLN CA C 13 55.339 0.5 . 1 . . . . 121 Gln CA . 16388 1 1434 . 1 1 121 121 GLN CB C 13 30.265 0.5 . 1 . . . . 121 Gln CB . 16388 1 1435 . 1 1 121 121 GLN CG C 13 33.496 0.5 . 1 . . . . 121 Gln CG . 16388 1 1436 . 1 1 121 121 GLN N N 15 117.074 0.5 . 1 . . . . 121 Gln N . 16388 1 1437 . 1 1 121 121 GLN NE2 N 15 112.4 0.5 . 1 . . . . 121 Gln NE2 . 16388 1 1438 . 1 1 122 122 THR H H 1 7.970 0.05 . 1 . . . . 122 Thr H . 16388 1 1439 . 1 1 122 122 THR HA H 1 4.033 0.05 . 1 . . . . 122 Thr HA . 16388 1 1440 . 1 1 122 122 THR HB H 1 3.841 0.05 . 1 . . . . 122 Thr HB . 16388 1 1441 . 1 1 122 122 THR HG21 H 1 1.215 0.05 . 1 . . . . 122 Thr HG2 . 16388 1 1442 . 1 1 122 122 THR HG22 H 1 1.215 0.05 . 1 . . . . 122 Thr HG2 . 16388 1 1443 . 1 1 122 122 THR HG23 H 1 1.215 0.05 . 1 . . . . 122 Thr HG2 . 16388 1 1444 . 1 1 122 122 THR CA C 13 60.921 0.5 . 1 . . . . 122 Thr CA . 16388 1 1445 . 1 1 122 122 THR CB C 13 70.177 0.5 . 1 . . . . 122 Thr CB . 16388 1 1446 . 1 1 122 122 THR CG2 C 13 21.44 0.5 . 1 . . . . 122 Thr CG2 . 16388 1 1447 . 1 1 122 122 THR N N 15 115.003 0.5 . 1 . . . . 122 Thr N . 16388 1 1448 . 1 1 123 123 PRO HA H 1 4.132 0.05 . 1 . . . . 123 Pro HA . 16388 1 1449 . 1 1 123 123 PRO HB2 H 1 1.422 0.05 . 2 . . . . 123 Pro HB2 . 16388 1 1450 . 1 1 123 123 PRO HB3 H 1 1.415 0.05 . 2 . . . . 123 Pro HB3 . 16388 1 1451 . 1 1 123 123 PRO HD2 H 1 3.097 0.05 . 2 . . . . 123 Pro HD2 . 16388 1 1452 . 1 1 123 123 PRO HD3 H 1 2.30 0.05 . 2 . . . . 123 Pro HD3 . 16388 1 1453 . 1 1 123 123 PRO HG2 H 1 1.362 0.05 . 2 . . . . 123 Pro HG2 . 16388 1 1454 . 1 1 123 123 PRO HG3 H 1 1.479 0.05 . 2 . . . . 123 Pro HG3 . 16388 1 1455 . 1 1 123 123 PRO C C 13 173.02 0.5 . 1 . . . . 123 Pro C . 16388 1 1456 . 1 1 123 123 PRO CA C 13 63.224 0.5 . 1 . . . . 123 Pro CA . 16388 1 1457 . 1 1 123 123 PRO CB C 13 31.977 0.5 . 1 . . . . 123 Pro CB . 16388 1 1458 . 1 1 123 123 PRO CD C 13 50.74 0.5 . 1 . . . . 123 Pro CD . 16388 1 1459 . 1 1 123 123 PRO CG C 13 27.57 0.5 . 1 . . . . 123 Pro CG . 16388 1 1460 . 1 1 124 124 THR H H 1 8.184 0.05 . 1 . . . . 124 Thr H . 16388 1 1461 . 1 1 124 124 THR HA H 1 4.65 0.05 . 1 . . . . 124 Thr HA . 16388 1 1462 . 1 1 124 124 THR HB H 1 4.69 0.05 . 1 . . . . 124 Thr HB . 16388 1 1463 . 1 1 124 124 THR HG21 H 1 1.239 0.05 . 1 . . . . 124 Thr HG2 . 16388 1 1464 . 1 1 124 124 THR HG22 H 1 1.239 0.05 . 1 . . . . 124 Thr HG2 . 16388 1 1465 . 1 1 124 124 THR HG23 H 1 1.239 0.05 . 1 . . . . 124 Thr HG2 . 16388 1 1466 . 1 1 124 124 THR C C 13 172.13 0.5 . 1 . . . . 124 Thr C . 16388 1 1467 . 1 1 124 124 THR CA C 13 59.386 0.5 . 1 . . . . 124 Thr CA . 16388 1 1468 . 1 1 124 124 THR CB C 13 72.598 0.5 . 1 . . . . 124 Thr CB . 16388 1 1469 . 1 1 124 124 THR CG2 C 13 21.18 0.5 . 1 . . . . 124 Thr CG2 . 16388 1 1470 . 1 1 124 124 THR N N 15 112.886 0.5 . 1 . . . . 124 Thr N . 16388 1 1471 . 1 1 125 125 GLU H H 1 9.025 0.05 . 1 . . . . 125 Glu H . 16388 1 1472 . 1 1 125 125 GLU HA H 1 4.272 0.05 . 1 . . . . 125 Glu HA . 16388 1 1473 . 1 1 125 125 GLU HB2 H 1 2.105 0.05 . 2 . . . . 125 Glu HB2 . 16388 1 1474 . 1 1 125 125 GLU HB3 H 1 2.119 0.05 . 2 . . . . 125 Glu HB3 . 16388 1 1475 . 1 1 125 125 GLU HG2 H 1 2.39 0.05 . 2 . . . . 125 Glu HG2 . 16388 1 1476 . 1 1 125 125 GLU HG3 H 1 2.42 0.05 . 2 . . . . 125 Glu HG3 . 16388 1 1477 . 1 1 125 125 GLU C C 13 176.58 0.5 . 1 . . . . 125 Glu C . 16388 1 1478 . 1 1 125 125 GLU CA C 13 60.276 0.5 . 1 . . . . 125 Glu CA . 16388 1 1479 . 1 1 125 125 GLU CB C 13 29.011 0.5 . 1 . . . . 125 Glu CB . 16388 1 1480 . 1 1 125 125 GLU CG C 13 36.47 0.5 . 1 . . . . 125 Glu CG . 16388 1 1481 . 1 1 125 125 GLU N N 15 118.860 0.5 . 1 . . . . 125 Glu N . 16388 1 1482 . 1 1 126 126 ASN H H 1 8.159 0.05 . 1 . . . . 126 Asn H . 16388 1 1483 . 1 1 126 126 ASN HA H 1 4.438 0.05 . 1 . . . . 126 Asn HA . 16388 1 1484 . 1 1 126 126 ASN HB2 H 1 2.664 0.05 . 2 . . . . 126 Asn HB2 . 16388 1 1485 . 1 1 126 126 ASN HB3 H 1 2.664 0.05 . 2 . . . . 126 Asn HB3 . 16388 1 1486 . 1 1 126 126 ASN HD21 H 1 7.05 0.05 . 2 . . . . 126 Asn HD21 . 16388 1 1487 . 1 1 126 126 ASN HD22 H 1 7.68 0.05 . 2 . . . . 126 Asn HD22 . 16388 1 1488 . 1 1 126 126 ASN C C 13 174.33 0.5 . 1 . . . . 126 Asn C . 16388 1 1489 . 1 1 126 126 ASN CA C 13 56.536 0.5 . 1 . . . . 126 Asn CA . 16388 1 1490 . 1 1 126 126 ASN CB C 13 38.410 0.5 . 1 . . . . 126 Asn CB . 16388 1 1491 . 1 1 126 126 ASN N N 15 116.693 0.5 . 1 . . . . 126 Asn N . 16388 1 1492 . 1 1 126 126 ASN ND2 N 15 113.5 0.5 . 1 . . . . 126 Asn ND2 . 16388 1 1493 . 1 1 127 127 THR H H 1 7.677 0.05 . 1 . . . . 127 Thr H . 16388 1 1494 . 1 1 127 127 THR HA H 1 3.736 0.05 . 1 . . . . 127 Thr HA . 16388 1 1495 . 1 1 127 127 THR HB H 1 3.645 0.05 . 1 . . . . 127 Thr HB . 16388 1 1496 . 1 1 127 127 THR HG21 H 1 0.82 0.05 . 1 . . . . 127 Thr HG2 . 16388 1 1497 . 1 1 127 127 THR HG22 H 1 0.82 0.05 . 1 . . . . 127 Thr HG2 . 16388 1 1498 . 1 1 127 127 THR HG23 H 1 0.82 0.05 . 1 . . . . 127 Thr HG2 . 16388 1 1499 . 1 1 127 127 THR C C 13 173.96 0.5 . 1 . . . . 127 Thr C . 16388 1 1500 . 1 1 127 127 THR CA C 13 66.599 0.5 . 1 . . . . 127 Thr CA . 16388 1 1501 . 1 1 127 127 THR CB C 13 68.003 0.5 . 1 . . . . 127 Thr CB . 16388 1 1502 . 1 1 127 127 THR CG2 C 13 22.247 0.5 . 1 . . . . 127 Thr CG2 . 16388 1 1503 . 1 1 127 127 THR N N 15 119.430 0.5 . 1 . . . . 127 Thr N . 16388 1 1504 . 1 1 128 128 TYR H H 1 7.352 0.05 . 1 . . . . 128 Tyr H . 16388 1 1505 . 1 1 128 128 TYR HA H 1 4.117 0.05 . 1 . . . . 128 Tyr HA . 16388 1 1506 . 1 1 128 128 TYR HB2 H 1 3.160 0.05 . 2 . . . . 128 Tyr HB2 . 16388 1 1507 . 1 1 128 128 TYR HB3 H 1 2.806 0.05 . 2 . . . . 128 Tyr HB3 . 16388 1 1508 . 1 1 128 128 TYR HD1 H 1 6.873 0.05 . 2 . . . . 128 Tyr HD1 . 16388 1 1509 . 1 1 128 128 TYR HD2 H 1 6.873 0.05 . 2 . . . . 128 Tyr HD2 . 16388 1 1510 . 1 1 128 128 TYR HE1 H 1 6.39 0.05 . 2 . . . . 128 Tyr HE1 . 16388 1 1511 . 1 1 128 128 TYR HE2 H 1 6.39 0.05 . 2 . . . . 128 Tyr HE2 . 16388 1 1512 . 1 1 128 128 TYR C C 13 175.56 0.5 . 1 . . . . 128 Tyr C . 16388 1 1513 . 1 1 128 128 TYR CA C 13 62.117 0.5 . 1 . . . . 128 Tyr CA . 16388 1 1514 . 1 1 128 128 TYR CB C 13 36.65 0.5 . 1 . . . . 128 Tyr CB . 16388 1 1515 . 1 1 128 128 TYR CD1 C 13 132.4 0.5 . 2 . . . . 128 Tyr CD1 . 16388 1 1516 . 1 1 128 128 TYR CD2 C 13 132.4 0.5 . 2 . . . . 128 Tyr CD2 . 16388 1 1517 . 1 1 128 128 TYR CE1 C 13 117.6 0.5 . 2 . . . . 128 Tyr CE1 . 16388 1 1518 . 1 1 128 128 TYR CE2 C 13 117.6 0.5 . 2 . . . . 128 Tyr CE2 . 16388 1 1519 . 1 1 128 128 TYR N N 15 119.199 0.5 . 1 . . . . 128 Tyr N . 16388 1 1520 . 1 1 129 129 LYS H H 1 7.940 0.05 . 1 . . . . 129 Lys H . 16388 1 1521 . 1 1 129 129 LYS HA H 1 4.144 0.05 . 1 . . . . 129 Lys HA . 16388 1 1522 . 1 1 129 129 LYS HB2 H 1 1.967 0.05 . 2 . . . . 129 Lys HB2 . 16388 1 1523 . 1 1 129 129 LYS HB3 H 1 1.959 0.05 . 2 . . . . 129 Lys HB3 . 16388 1 1524 . 1 1 129 129 LYS HD2 H 1 1.667 0.05 . 2 . . . . 129 Lys HD2 . 16388 1 1525 . 1 1 129 129 LYS HD3 H 1 1.708 0.05 . 2 . . . . 129 Lys HD3 . 16388 1 1526 . 1 1 129 129 LYS HE2 H 1 2.949 0.05 . 2 . . . . 129 Lys HE2 . 16388 1 1527 . 1 1 129 129 LYS HE3 H 1 2.949 0.05 . 2 . . . . 129 Lys HE3 . 16388 1 1528 . 1 1 129 129 LYS HG2 H 1 1.549 0.05 . 2 . . . . 129 Lys HG2 . 16388 1 1529 . 1 1 129 129 LYS HG3 H 1 1.413 0.05 . 2 . . . . 129 Lys HG3 . 16388 1 1530 . 1 1 129 129 LYS C C 13 175.70 0.5 . 1 . . . . 129 Lys C . 16388 1 1531 . 1 1 129 129 LYS CA C 13 59.776 0.5 . 1 . . . . 129 Lys CA . 16388 1 1532 . 1 1 129 129 LYS CB C 13 31.891 0.5 . 1 . . . . 129 Lys CB . 16388 1 1533 . 1 1 129 129 LYS CD C 13 29.05 0.5 . 1 . . . . 129 Lys CD . 16388 1 1534 . 1 1 129 129 LYS CE C 13 41.89 0.5 . 1 . . . . 129 Lys CE . 16388 1 1535 . 1 1 129 129 LYS CG C 13 24.95 0.5 . 1 . . . . 129 Lys CG . 16388 1 1536 . 1 1 129 129 LYS N N 15 122.267 0.5 . 1 . . . . 129 Lys N . 16388 1 1537 . 1 1 130 130 LEU H H 1 7.911 0.05 . 1 . . . . 130 Leu H . 16388 1 1538 . 1 1 130 130 LEU HA H 1 4.063 0.05 . 1 . . . . 130 Leu HA . 16388 1 1539 . 1 1 130 130 LEU HB2 H 1 1.863 0.05 . 2 . . . . 130 Leu HB2 . 16388 1 1540 . 1 1 130 130 LEU HB3 H 1 1.704 0.05 . 2 . . . . 130 Leu HB3 . 16388 1 1541 . 1 1 130 130 LEU HD11 H 1 0.879 0.05 . 2 . . . . 130 Leu HD1 . 16388 1 1542 . 1 1 130 130 LEU HD12 H 1 0.879 0.05 . 2 . . . . 130 Leu HD1 . 16388 1 1543 . 1 1 130 130 LEU HD13 H 1 0.879 0.05 . 2 . . . . 130 Leu HD1 . 16388 1 1544 . 1 1 130 130 LEU HD21 H 1 0.897 0.05 . 2 . . . . 130 Leu HD2 . 16388 1 1545 . 1 1 130 130 LEU HD22 H 1 0.897 0.05 . 2 . . . . 130 Leu HD2 . 16388 1 1546 . 1 1 130 130 LEU HD23 H 1 0.897 0.05 . 2 . . . . 130 Leu HD2 . 16388 1 1547 . 1 1 130 130 LEU HG H 1 1.863 0.05 . 1 . . . . 130 Leu HG . 16388 1 1548 . 1 1 130 130 LEU C C 13 177.72 0.5 . 1 . . . . 130 Leu C . 16388 1 1549 . 1 1 130 130 LEU CA C 13 58.201 0.5 . 1 . . . . 130 Leu CA . 16388 1 1550 . 1 1 130 130 LEU CB C 13 41.605 0.5 . 1 . . . . 130 Leu CB . 16388 1 1551 . 1 1 130 130 LEU CD1 C 13 26.402 0.5 . 2 . . . . 130 Leu CD1 . 16388 1 1552 . 1 1 130 130 LEU CD2 C 13 24.342 0.5 . 2 . . . . 130 Leu CD2 . 16388 1 1553 . 1 1 130 130 LEU CG C 13 26.6 0.5 . 1 . . . . 130 Leu CG . 16388 1 1554 . 1 1 130 130 LEU N N 15 121.227 0.5 . 1 . . . . 130 Leu N . 16388 1 1555 . 1 1 131 131 CYS H H 1 7.969 0.05 . 1 . . . . 131 Cys H . 16388 1 1556 . 1 1 131 131 CYS HA H 1 3.685 0.05 . 1 . . . . 131 Cys HA . 16388 1 1557 . 1 1 131 131 CYS HB2 H 1 3.439 0.05 . 2 . . . . 131 Cys HB2 . 16388 1 1558 . 1 1 131 131 CYS HB3 H 1 2.527 0.05 . 2 . . . . 131 Cys HB3 . 16388 1 1559 . 1 1 131 131 CYS C C 13 172.81 0.5 . 1 . . . . 131 Cys C . 16388 1 1560 . 1 1 131 131 CYS CA C 13 64.215 0.5 . 1 . . . . 131 Cys CA . 16388 1 1561 . 1 1 131 131 CYS CB C 13 27.895 0.5 . 1 . . . . 131 Cys CB . 16388 1 1562 . 1 1 131 131 CYS N N 15 117.910 0.5 . 1 . . . . 131 Cys N . 16388 1 1563 . 1 1 132 132 GLU H H 1 7.865 0.05 . 1 . . . . 132 Glu H . 16388 1 1564 . 1 1 132 132 GLU HA H 1 4.057 0.05 . 1 . . . . 132 Glu HA . 16388 1 1565 . 1 1 132 132 GLU HB2 H 1 2.098 0.05 . 2 . . . . 132 Glu HB2 . 16388 1 1566 . 1 1 132 132 GLU HB3 H 1 2.098 0.05 . 2 . . . . 132 Glu HB3 . 16388 1 1567 . 1 1 132 132 GLU HG2 H 1 2.421 0.05 . 2 . . . . 132 Glu HG2 . 16388 1 1568 . 1 1 132 132 GLU HG3 H 1 2.39 0.05 . 2 . . . . 132 Glu HG3 . 16388 1 1569 . 1 1 132 132 GLU C C 13 176.58 0.5 . 1 . . . . 132 Glu C . 16388 1 1570 . 1 1 132 132 GLU CA C 13 59.94 0.5 . 1 . . . . 132 Glu CA . 16388 1 1571 . 1 1 132 132 GLU CB C 13 29.403 0.5 . 1 . . . . 132 Glu CB . 16388 1 1572 . 1 1 132 132 GLU CG C 13 36.38 0.5 . 1 . . . . 132 Glu CG . 16388 1 1573 . 1 1 132 132 GLU N N 15 121.294 0.5 . 1 . . . . 132 Glu N . 16388 1 1574 . 1 1 133 133 GLU H H 1 8.186 0.05 . 1 . . . . 133 Glu H . 16388 1 1575 . 1 1 133 133 GLU HA H 1 3.843 0.05 . 1 . . . . 133 Glu HA . 16388 1 1576 . 1 1 133 133 GLU HB2 H 1 2.046 0.05 . 2 . . . . 133 Glu HB2 . 16388 1 1577 . 1 1 133 133 GLU HB3 H 1 2.087 0.05 . 2 . . . . 133 Glu HB3 . 16388 1 1578 . 1 1 133 133 GLU HG2 H 1 2.514 0.05 . 2 . . . . 133 Glu HG2 . 16388 1 1579 . 1 1 133 133 GLU HG3 H 1 2.224 0.05 . 2 . . . . 133 Glu HG3 . 16388 1 1580 . 1 1 133 133 GLU C C 13 175.44 0.5 . 1 . . . . 133 Glu C . 16388 1 1581 . 1 1 133 133 GLU CA C 13 59.617 0.5 . 1 . . . . 133 Glu CA . 16388 1 1582 . 1 1 133 133 GLU CB C 13 29.270 0.5 . 1 . . . . 133 Glu CB . 16388 1 1583 . 1 1 133 133 GLU CG C 13 36.454 0.5 . 1 . . . . 133 Glu CG . 16388 1 1584 . 1 1 133 133 GLU N N 15 119.890 0.5 . 1 . . . . 133 Glu N . 16388 1 1585 . 1 1 134 134 ALA H H 1 7.977 0.05 . 1 . . . . 134 Ala H . 16388 1 1586 . 1 1 134 134 ALA HA H 1 3.787 0.05 . 1 . . . . 134 Ala HA . 16388 1 1587 . 1 1 134 134 ALA HB1 H 1 0.343 0.05 . 1 . . . . 134 Ala HB . 16388 1 1588 . 1 1 134 134 ALA HB2 H 1 0.343 0.05 . 1 . . . . 134 Ala HB . 16388 1 1589 . 1 1 134 134 ALA HB3 H 1 0.343 0.05 . 1 . . . . 134 Ala HB . 16388 1 1590 . 1 1 134 134 ALA CA C 13 55.071 0.5 . 1 . . . . 134 Ala CA . 16388 1 1591 . 1 1 134 134 ALA CB C 13 15.734 0.5 . 1 . . . . 134 Ala CB . 16388 1 1592 . 1 1 134 134 ALA N N 15 123.494 0.5 . 1 . . . . 134 Ala N . 16388 1 1593 . 1 1 135 135 GLY H H 1 8.106 0.05 . 1 . . . . 135 Gly H . 16388 1 1594 . 1 1 135 135 GLY HA2 H 1 4.370 0.05 . 2 . . . . 135 Gly HA2 . 16388 1 1595 . 1 1 135 135 GLY HA3 H 1 3.467 0.05 . 2 . . . . 135 Gly HA3 . 16388 1 1596 . 1 1 135 135 GLY C C 13 172.70 0.5 . 1 . . . . 135 Gly C . 16388 1 1597 . 1 1 135 135 GLY CA C 13 48.092 0.5 . 1 . . . . 135 Gly CA . 16388 1 1598 . 1 1 135 135 GLY N N 15 103.590 0.5 . 1 . . . . 135 Gly N . 16388 1 1599 . 1 1 136 136 THR H H 1 8.397 0.05 . 1 . . . . 136 Thr H . 16388 1 1600 . 1 1 136 136 THR HA H 1 3.88 0.05 . 1 . . . . 136 Thr HA . 16388 1 1601 . 1 1 136 136 THR HB H 1 4.22 0.05 . 1 . . . . 136 Thr HB . 16388 1 1602 . 1 1 136 136 THR HG21 H 1 1.165 0.05 . 1 . . . . 136 Thr HG2 . 16388 1 1603 . 1 1 136 136 THR HG22 H 1 1.165 0.05 . 1 . . . . 136 Thr HG2 . 16388 1 1604 . 1 1 136 136 THR HG23 H 1 1.165 0.05 . 1 . . . . 136 Thr HG2 . 16388 1 1605 . 1 1 136 136 THR C C 13 173.09 0.5 . 1 . . . . 136 Thr C . 16388 1 1606 . 1 1 136 136 THR CA C 13 66.290 0.5 . 1 . . . . 136 Thr CA . 16388 1 1607 . 1 1 136 136 THR CB C 13 68.793 0.5 . 1 . . . . 136 Thr CB . 16388 1 1608 . 1 1 136 136 THR CG2 C 13 21.534 0.5 . 1 . . . . 136 Thr CG2 . 16388 1 1609 . 1 1 136 136 THR N N 15 119.991 0.5 . 1 . . . . 136 Thr N . 16388 1 1610 . 1 1 137 137 ASP H H 1 8.530 0.05 . 1 . . . . 137 Asp H . 16388 1 1611 . 1 1 137 137 ASP HA H 1 4.453 0.05 . 1 . . . . 137 Asp HA . 16388 1 1612 . 1 1 137 137 ASP HB2 H 1 2.760 0.05 . 2 . . . . 137 Asp HB2 . 16388 1 1613 . 1 1 137 137 ASP HB3 H 1 3.069 0.05 . 2 . . . . 137 Asp HB3 . 16388 1 1614 . 1 1 137 137 ASP C C 13 177.28 0.5 . 1 . . . . 137 Asp C . 16388 1 1615 . 1 1 137 137 ASP CA C 13 57.857 0.5 . 1 . . . . 137 Asp CA . 16388 1 1616 . 1 1 137 137 ASP CB C 13 39.823 0.5 . 1 . . . . 137 Asp CB . 16388 1 1617 . 1 1 137 137 ASP N N 15 123.233 0.5 . 1 . . . . 137 Asp N . 16388 1 1618 . 1 1 138 138 LEU H H 1 8.410 0.05 . 1 . . . . 138 Leu H . 16388 1 1619 . 1 1 138 138 LEU HA H 1 4.577 0.05 . 1 . . . . 138 Leu HA . 16388 1 1620 . 1 1 138 138 LEU HB2 H 1 2.113 0.05 . 2 . . . . 138 Leu HB2 . 16388 1 1621 . 1 1 138 138 LEU HB3 H 1 1.559 0.05 . 2 . . . . 138 Leu HB3 . 16388 1 1622 . 1 1 138 138 LEU HD11 H 1 0.9321 0.05 . 2 . . . . 138 Leu HD1 . 16388 1 1623 . 1 1 138 138 LEU HD12 H 1 0.9321 0.05 . 2 . . . . 138 Leu HD1 . 16388 1 1624 . 1 1 138 138 LEU HD13 H 1 0.9321 0.05 . 2 . . . . 138 Leu HD1 . 16388 1 1625 . 1 1 138 138 LEU HD21 H 1 0.794 0.05 . 2 . . . . 138 Leu HD2 . 16388 1 1626 . 1 1 138 138 LEU HD22 H 1 0.794 0.05 . 2 . . . . 138 Leu HD2 . 16388 1 1627 . 1 1 138 138 LEU HD23 H 1 0.794 0.05 . 2 . . . . 138 Leu HD2 . 16388 1 1628 . 1 1 138 138 LEU HG H 1 0.794 0.05 . 1 . . . . 138 Leu HG . 16388 1 1629 . 1 1 138 138 LEU C C 13 175.72 0.5 . 1 . . . . 138 Leu C . 16388 1 1630 . 1 1 138 138 LEU CA C 13 57.77 0.5 . 1 . . . . 138 Leu CA . 16388 1 1631 . 1 1 138 138 LEU CB C 13 41.480 0.5 . 1 . . . . 138 Leu CB . 16388 1 1632 . 1 1 138 138 LEU CD1 C 13 22.87 0.5 . 1 . . . . 138 Leu CD1 . 16388 1 1633 . 1 1 138 138 LEU CD2 C 13 23.68 0.5 . 1 . . . . 138 Leu CD2 . 16388 1 1634 . 1 1 138 138 LEU CG C 13 28.18 0.5 . 1 . . . . 138 Leu CG . 16388 1 1635 . 1 1 138 138 LEU N N 15 122.045 0.5 . 1 . . . . 138 Leu N . 16388 1 1636 . 1 1 139 139 GLY H H 1 9.006 0.05 . 1 . . . . 139 Gly H . 16388 1 1637 . 1 1 139 139 GLY HA2 H 1 4.327 0.05 . 2 . . . . 139 Gly HA2 . 16388 1 1638 . 1 1 139 139 GLY HA3 H 1 3.699 0.05 . 2 . . . . 139 Gly HA3 . 16388 1 1639 . 1 1 139 139 GLY C C 13 173.78 0.5 . 1 . . . . 139 Gly C . 16388 1 1640 . 1 1 139 139 GLY CA C 13 47.841 0.5 . 1 . . . . 139 Gly CA . 16388 1 1641 . 1 1 139 139 GLY N N 15 107.810 0.5 . 1 . . . . 139 Gly N . 16388 1 1642 . 1 1 140 140 GLN H H 1 8.937 0.05 . 1 . . . . 140 Gln H . 16388 1 1643 . 1 1 140 140 GLN HA H 1 4.222 0.05 . 1 . . . . 140 Gln HA . 16388 1 1644 . 1 1 140 140 GLN HB2 H 1 2.379 0.05 . 2 . . . . 140 Gln HB2 . 16388 1 1645 . 1 1 140 140 GLN HB3 H 1 2.110 0.05 . 2 . . . . 140 Gln HB3 . 16388 1 1646 . 1 1 140 140 GLN HE21 H 1 7.374 0.05 . 2 . . . . 140 Gln HE21 . 16388 1 1647 . 1 1 140 140 GLN HE22 H 1 6.875 0.05 . 2 . . . . 140 Gln HE22 . 16388 1 1648 . 1 1 140 140 GLN HG2 H 1 2.463 0.05 . 2 . . . . 140 Gln HG2 . 16388 1 1649 . 1 1 140 140 GLN HG3 H 1 2.794 0.05 . 2 . . . . 140 Gln HG3 . 16388 1 1650 . 1 1 140 140 GLN CA C 13 59.157 0.5 . 1 . . . . 140 Gln CA . 16388 1 1651 . 1 1 140 140 GLN CB C 13 28.00 0.5 . 1 . . . . 140 Gln CB . 16388 1 1652 . 1 1 140 140 GLN CG C 13 34.82 0.5 . 1 . . . . 140 Gln CG . 16388 1 1653 . 1 1 140 140 GLN N N 15 120.437 0.5 . 1 . . . . 140 Gln N . 16388 1 1654 . 1 1 140 140 GLN NE2 N 15 110.2 0.5 . 1 . . . . 140 Gln NE2 . 16388 1 1655 . 1 1 141 141 TRP H H 1 8.432 0.05 . 1 . . . . 141 Trp H . 16388 1 1656 . 1 1 141 141 TRP HA H 1 4.194 0.05 . 1 . . . . 141 Trp HA . 16388 1 1657 . 1 1 141 141 TRP HB2 H 1 3.819 0.05 . 2 . . . . 141 Trp HB2 . 16388 1 1658 . 1 1 141 141 TRP HB3 H 1 3.478 0.05 . 2 . . . . 141 Trp HB3 . 16388 1 1659 . 1 1 141 141 TRP HD1 H 1 7.308 0.05 . 1 . . . . 141 Trp HD1 . 16388 1 1660 . 1 1 141 141 TRP HE1 H 1 10.25 0.05 . 1 . . . . 141 Trp HE1 . 16388 1 1661 . 1 1 141 141 TRP HE3 H 1 7.41 0.05 . 1 . . . . 141 Trp HE3 . 16388 1 1662 . 1 1 141 141 TRP HH2 H 1 7.43 0.05 . 1 . . . . 141 Trp HH2 . 16388 1 1663 . 1 1 141 141 TRP HZ2 H 1 7.306 0.05 . 1 . . . . 141 Trp HZ2 . 16388 1 1664 . 1 1 141 141 TRP HZ3 H 1 7.057 0.05 . 1 . . . . 141 Trp HZ3 . 16388 1 1665 . 1 1 141 141 TRP C C 13 176.57 0.5 . 1 . . . . 141 Trp C . 16388 1 1666 . 1 1 141 141 TRP CA C 13 62.66 0.5 . 1 . . . . 141 Trp CA . 16388 1 1667 . 1 1 141 141 TRP CB C 13 28.623 0.5 . 1 . . . . 141 Trp CB . 16388 1 1668 . 1 1 141 141 TRP CD1 C 13 126.8 0.5 . 1 . . . . 141 Trp CD1 . 16388 1 1669 . 1 1 141 141 TRP CE3 C 13 120.2 0.5 . 1 . . . . 141 Trp CE3 . 16388 1 1670 . 1 1 141 141 TRP CH2 C 13 125.1 0.5 . 1 . . . . 141 Trp CH2 . 16388 1 1671 . 1 1 141 141 TRP CZ2 C 13 127.6 0.5 . 1 . . . . 141 Trp CZ2 . 16388 1 1672 . 1 1 141 141 TRP CZ3 C 13 122.3 0.5 . 1 . . . . 141 Trp CZ3 . 16388 1 1673 . 1 1 141 141 TRP N N 15 122.920 0.5 . 1 . . . . 141 Trp N . 16388 1 1674 . 1 1 141 141 TRP NE1 N 15 129.70 0.5 . 1 . . . . 141 Trp NE1 . 16388 1 1675 . 1 1 142 142 VAL H H 1 8.625 0.05 . 1 . . . . 142 Val H . 16388 1 1676 . 1 1 142 142 VAL HA H 1 3.570 0.05 . 1 . . . . 142 Val HA . 16388 1 1677 . 1 1 142 142 VAL HB H 1 2.550 0.05 . 1 . . . . 142 Val HB . 16388 1 1678 . 1 1 142 142 VAL HG11 H 1 1.370 0.05 . 2 . . . . 142 Val HG1 . 16388 1 1679 . 1 1 142 142 VAL HG12 H 1 1.370 0.05 . 2 . . . . 142 Val HG1 . 16388 1 1680 . 1 1 142 142 VAL HG13 H 1 1.370 0.05 . 2 . . . . 142 Val HG1 . 16388 1 1681 . 1 1 142 142 VAL HG21 H 1 1.11 0.05 . 2 . . . . 142 Val HG2 . 16388 1 1682 . 1 1 142 142 VAL HG22 H 1 1.11 0.05 . 2 . . . . 142 Val HG2 . 16388 1 1683 . 1 1 142 142 VAL HG23 H 1 1.11 0.05 . 2 . . . . 142 Val HG2 . 16388 1 1684 . 1 1 142 142 VAL C C 13 175.22 0.5 . 1 . . . . 142 Val C . 16388 1 1685 . 1 1 142 142 VAL CA C 13 66.246 0.5 . 1 . . . . 142 Val CA . 16388 1 1686 . 1 1 142 142 VAL CB C 13 31.651 0.5 . 1 . . . . 142 Val CB . 16388 1 1687 . 1 1 142 142 VAL CG1 C 13 22.72 0.5 . 2 . . . . 142 Val CG1 . 16388 1 1688 . 1 1 142 142 VAL CG2 C 13 21.88 0.5 . 2 . . . . 142 Val CG2 . 16388 1 1689 . 1 1 142 142 VAL N N 15 117.188 0.5 . 1 . . . . 142 Val N . 16388 1 1690 . 1 1 143 143 THR H H 1 7.786 0.05 . 1 . . . . 143 Thr H . 16388 1 1691 . 1 1 143 143 THR HA H 1 4.114 0.05 . 1 . . . . 143 Thr HA . 16388 1 1692 . 1 1 143 143 THR HB H 1 4.44 0.05 . 1 . . . . 143 Thr HB . 16388 1 1693 . 1 1 143 143 THR HG21 H 1 1.246 0.05 . 1 . . . . 143 Thr HG2 . 16388 1 1694 . 1 1 143 143 THR HG22 H 1 1.246 0.05 . 1 . . . . 143 Thr HG2 . 16388 1 1695 . 1 1 143 143 THR HG23 H 1 1.246 0.05 . 1 . . . . 143 Thr HG2 . 16388 1 1696 . 1 1 143 143 THR C C 13 172.76 0.5 . 1 . . . . 143 Thr C . 16388 1 1697 . 1 1 143 143 THR CA C 13 64.097 0.5 . 1 . . . . 143 Thr CA . 16388 1 1698 . 1 1 143 143 THR CB C 13 69.288 0.5 . 1 . . . . 143 Thr CB . 16388 1 1699 . 1 1 143 143 THR CG2 C 13 21.491 0.5 . 1 . . . . 143 Thr CG2 . 16388 1 1700 . 1 1 143 143 THR N N 15 112.043 0.5 . 1 . . . . 143 Thr N . 16388 1 1701 . 1 1 144 144 ARG H H 1 7.691 0.05 . 1 . . . . 144 Arg H . 16388 1 1702 . 1 1 144 144 ARG HA H 1 4.096 0.05 . 1 . . . . 144 Arg HA . 16388 1 1703 . 1 1 144 144 ARG HB2 H 1 1.758 0.05 . 2 . . . . 144 Arg HB2 . 16388 1 1704 . 1 1 144 144 ARG HB3 H 1 1.825 0.05 . 2 . . . . 144 Arg HB3 . 16388 1 1705 . 1 1 144 144 ARG HD2 H 1 3.011 0.05 . 2 . . . . 144 Arg HD2 . 16388 1 1706 . 1 1 144 144 ARG HD3 H 1 2.994 0.05 . 2 . . . . 144 Arg HD3 . 16388 1 1707 . 1 1 144 144 ARG HE H 1 7.197 0.05 . 1 . . . . 144 Arg HE . 16388 1 1708 . 1 1 144 144 ARG HG2 H 1 1.707 0.05 . 2 . . . . 144 Arg HG2 . 16388 1 1709 . 1 1 144 144 ARG HG3 H 1 1.707 0.05 . 2 . . . . 144 Arg HG3 . 16388 1 1710 . 1 1 144 144 ARG C C 13 174.24 0.5 . 1 . . . . 144 Arg C . 16388 1 1711 . 1 1 144 144 ARG CA C 13 58.330 0.5 . 1 . . . . 144 Arg CA . 16388 1 1712 . 1 1 144 144 ARG CB C 13 29.870 0.5 . 1 . . . . 144 Arg CB . 16388 1 1713 . 1 1 144 144 ARG CD C 13 43.362 0.5 . 1 . . . . 144 Arg CD . 16388 1 1714 . 1 1 144 144 ARG CG C 13 26.673 0.5 . 1 . . . . 144 Arg CG . 16388 1 1715 . 1 1 144 144 ARG N N 15 121.925 0.5 . 1 . . . . 144 Arg N . 16388 1 1716 . 1 1 144 144 ARG NE N 15 120.381 0.5 . 1 . . . . 144 Arg NE . 16388 1 1717 . 1 1 145 145 ASP H H 1 8.289 0.05 . 1 . . . . 145 Asp H . 16388 1 1718 . 1 1 145 145 ASP HA H 1 4.322 0.05 . 1 . . . . 145 Asp HA . 16388 1 1719 . 1 1 145 145 ASP HB2 H 1 2.123 0.05 . 2 . . . . 145 Asp HB2 . 16388 1 1720 . 1 1 145 145 ASP HB3 H 1 2.449 0.05 . 2 . . . . 145 Asp HB3 . 16388 1 1721 . 1 1 145 145 ASP C C 13 174.37 0.5 . 1 . . . . 145 Asp C . 16388 1 1722 . 1 1 145 145 ASP CA C 13 55.908 0.5 . 1 . . . . 145 Asp CA . 16388 1 1723 . 1 1 145 145 ASP CB C 13 41.381 0.5 . 1 . . . . 145 Asp CB . 16388 1 1724 . 1 1 145 145 ASP N N 15 120.233 0.5 . 1 . . . . 145 Asp N . 16388 1 1725 . 1 1 146 146 ARG H H 1 7.992 0.05 . 1 . . . . 146 Arg H . 16388 1 1726 . 1 1 146 146 ARG HA H 1 4.136 0.05 . 1 . . . . 146 Arg HA . 16388 1 1727 . 1 1 146 146 ARG HB2 H 1 1.837 0.05 . 2 . . . . 146 Arg HB2 . 16388 1 1728 . 1 1 146 146 ARG HB3 H 1 1.928 0.05 . 2 . . . . 146 Arg HB3 . 16388 1 1729 . 1 1 146 146 ARG HD2 H 1 3.11 0.05 . 2 . . . . 146 Arg HD2 . 16388 1 1730 . 1 1 146 146 ARG HD3 H 1 3.15 0.05 . 2 . . . . 146 Arg HD3 . 16388 1 1731 . 1 1 146 146 ARG HE H 1 7.219 0.05 . 1 . . . . 146 Arg HE . 16388 1 1732 . 1 1 146 146 ARG HG2 H 1 1.551 0.05 . 2 . . . . 146 Arg HG2 . 16388 1 1733 . 1 1 146 146 ARG HG3 H 1 1.641 0.05 . 2 . . . . 146 Arg HG3 . 16388 1 1734 . 1 1 146 146 ARG C C 13 174.41 0.5 . 1 . . . . 146 Arg C . 16388 1 1735 . 1 1 146 146 ARG CA C 13 57.275 0.5 . 1 . . . . 146 Arg CA . 16388 1 1736 . 1 1 146 146 ARG CB C 13 30.284 0.5 . 1 . . . . 146 Arg CB . 16388 1 1737 . 1 1 146 146 ARG CD C 13 43.33 0.5 . 1 . . . . 146 Arg CD . 16388 1 1738 . 1 1 146 146 ARG CG C 13 27.131 0.5 . 1 . . . . 146 Arg CG . 16388 1 1739 . 1 1 146 146 ARG N N 15 119.402 0.5 . 1 . . . . 146 Arg N . 16388 1 1740 . 1 1 147 147 LEU H H 1 7.924 0.05 . 1 . . . . 147 Leu H . 16388 1 1741 . 1 1 147 147 LEU HA H 1 4.206 0.05 . 1 . . . . 147 Leu HA . 16388 1 1742 . 1 1 147 147 LEU HB2 H 1 1.715 0.05 . 2 . . . . 147 Leu HB2 . 16388 1 1743 . 1 1 147 147 LEU HB3 H 1 1.533 0.05 . 2 . . . . 147 Leu HB3 . 16388 1 1744 . 1 1 147 147 LEU HD11 H 1 0.899 0.05 . 2 . . . . 147 Leu HD1 . 16388 1 1745 . 1 1 147 147 LEU HD12 H 1 0.899 0.05 . 2 . . . . 147 Leu HD1 . 16388 1 1746 . 1 1 147 147 LEU HD13 H 1 0.899 0.05 . 2 . . . . 147 Leu HD1 . 16388 1 1747 . 1 1 147 147 LEU HD21 H 1 0.842 0.05 . 2 . . . . 147 Leu HD2 . 16388 1 1748 . 1 1 147 147 LEU HD22 H 1 0.842 0.05 . 2 . . . . 147 Leu HD2 . 16388 1 1749 . 1 1 147 147 LEU HD23 H 1 0.842 0.05 . 2 . . . . 147 Leu HD2 . 16388 1 1750 . 1 1 147 147 LEU HG H 1 1.631 0.05 . 1 . . . . 147 Leu HG . 16388 1 1751 . 1 1 147 147 LEU C C 13 175.18 0.5 . 1 . . . . 147 Leu C . 16388 1 1752 . 1 1 147 147 LEU CA C 13 56.070 0.5 . 1 . . . . 147 Leu CA . 16388 1 1753 . 1 1 147 147 LEU CB C 13 42.139 0.5 . 1 . . . . 147 Leu CB . 16388 1 1754 . 1 1 147 147 LEU CD1 C 13 24.98 0.5 . 2 . . . . 147 Leu CD1 . 16388 1 1755 . 1 1 147 147 LEU CD2 C 13 23.285 0.5 . 2 . . . . 147 Leu CD2 . 16388 1 1756 . 1 1 147 147 LEU CG C 13 26.720 0.5 . 1 . . . . 147 Leu CG . 16388 1 1757 . 1 1 147 147 LEU N N 15 120.570 0.5 . 1 . . . . 147 Leu N . 16388 1 1758 . 1 1 148 148 GLU H H 1 8.139 0.05 . 1 . . . . 148 Glu H . 16388 1 1759 . 1 1 148 148 GLU HA H 1 4.133 0.05 . 1 . . . . 148 Glu HA . 16388 1 1760 . 1 1 148 148 GLU HB2 H 1 1.856 0.05 . 2 . . . . 148 Glu HB2 . 16388 1 1761 . 1 1 148 148 GLU HB3 H 1 1.857 0.05 . 2 . . . . 148 Glu HB3 . 16388 1 1762 . 1 1 148 148 GLU HG2 H 1 2.111 0.05 . 2 . . . . 148 Glu HG2 . 16388 1 1763 . 1 1 148 148 GLU HG3 H 1 2.212 0.05 . 2 . . . . 148 Glu HG3 . 16388 1 1764 . 1 1 148 148 GLU C C 13 173.81 0.5 . 1 . . . . 148 Glu C . 16388 1 1765 . 1 1 148 148 GLU CA C 13 56.917 0.5 . 1 . . . . 148 Glu CA . 16388 1 1766 . 1 1 148 148 GLU CB C 13 30.054 0.5 . 1 . . . . 148 Glu CB . 16388 1 1767 . 1 1 148 148 GLU CG C 13 36.116 0.5 . 1 . . . . 148 Glu CG . 16388 1 1768 . 1 1 148 148 GLU N N 15 119.451 0.5 . 1 . . . . 148 Glu N . 16388 1 1769 . 1 1 149 149 HIS H H 1 8.146 0.05 . 1 . . . . 149 His H . 16388 1 1770 . 1 1 149 149 HIS HA H 1 4.60 0.05 . 1 . . . . 149 His HA . 16388 1 1771 . 1 1 149 149 HIS HB2 H 1 3.05 0.05 . 2 . . . . 149 His HB2 . 16388 1 1772 . 1 1 149 149 HIS HB3 H 1 3.18 0.05 . 2 . . . . 149 His HB3 . 16388 1 1773 . 1 1 149 149 HIS C C 13 171.13 0.5 . 1 . . . . 149 His C . 16388 1 1774 . 1 1 149 149 HIS CA C 13 56.105 0.5 . 1 . . . . 149 His CA . 16388 1 1775 . 1 1 149 149 HIS CB C 13 30.44 0.5 . 1 . . . . 149 His CB . 16388 1 1776 . 1 1 149 149 HIS N N 15 118.437 0.5 . 1 . . . . 149 His N . 16388 1 1777 . 1 1 150 150 HIS H H 1 8.199 0.05 . 1 . . . . 150 His H . 16388 1 1778 . 1 1 150 150 HIS CA C 13 57.468 0.5 . 1 . . . . 150 His CA . 16388 1 1779 . 1 1 150 150 HIS CB C 13 30.134 0.5 . 1 . . . . 150 His CB . 16388 1 1780 . 1 1 150 150 HIS N N 15 125.370 0.5 . 1 . . . . 150 His N . 16388 1 stop_ save_