data_17045 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17045 _Entry.Title ; KSR1 CA1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-06 _Entry.Accession_date 2010-07-06 _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 Dorothy Koveal . . . 17045 2 Anderson Pinheiro . . . 17045 3 Wolfgang Peti . . . 17045 4 Rebecca Page . . . 17045 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Brown University' . 17045 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17045 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 621 17045 '15N chemical shifts' 159 17045 '1H chemical shifts' 1067 17045 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 . . 2011-03-24 2010-07-06 update BMRB 'update entry citation' 17045 1 . . 2010-09-08 2010-07-06 original author 'original release' 17045 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LPE 'BMRB Entry Tracking System' 17045 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17045 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20737253 _Citation.Full_citation . _Citation.Title 'Backbone and side chain (1)H, (15)N and (13)C assignments of the KSR1 CA1 domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 39 _Citation.Page_last 41 _Citation.Year 2011 _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 Dorothy Koveal . . . 17045 1 2 Anderson Pinheiro . S. . 17045 1 3 Wolfgang Peti . . . 17045 1 4 Rebecca Page . . . 17045 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17045 _Assembly.ID 1 _Assembly.Name 'KSR1 CA1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KSR1 CA1 monomer' 1 $KSR1_CA1 A . yes native no no . . . 17045 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KSR1_CA1 _Entity.Sf_category entity _Entity.Sf_framecode KSR1_CA1 _Entity.Entry_ID 17045 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KSR1_CA1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMDGGAGAAVSRALQQCGQ LQKLIDISIGSLRGLRTKCS VSNDLTQQEIRTLEAKLVKY ICKQQQSKLSVTPSDRTAEL NSYPRFSDWLYIFNVRPEVV QEIPQELTLDALLEMDEAKA KEMLRRWGASTEECSRLQQA LTCLRKVTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17724 . KSR1 . . . . . 100.00 149 100.00 100.00 1.34e-103 . . . . 17045 1 2 no BMRB 17725 . KSR1_CA1-CA1a . . . . . 97.99 172 100.00 100.00 1.55e-100 . . . . 17045 1 3 no BMRB 18740 . KSR1_CC-SAM . . . . . 100.00 149 100.00 100.00 1.34e-103 . . . . 17045 1 4 no PDB 2LPE . "Solution Nmr Structure Of The Ksr1 Ca1-Ca1a Domain" . . . . . 100.00 149 100.00 100.00 1.34e-103 . . . . 17045 1 5 no EMBL CAA57288 . "hb [Mus musculus]" . . . . . 81.88 426 100.00 100.00 1.14e-79 . . . . 17045 1 6 no GB AAC52382 . "protein kinase related to Raf protein kinases; Method: conceptual translation supplied by author [Mus musculus]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 17045 1 7 no GB AAI68386 . "Kinase suppressor of ras 1 [synthetic construct]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 17045 1 8 no GB ABK42251 . "Ksr1 [synthetic construct]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 17045 1 9 no REF NP_038599 . "kinase suppressor of Ras 1 [Mus musculus]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 17045 1 10 no REF XP_006246986 . "PREDICTED: kinase suppressor of Ras 1 isoform X4 [Rattus norvegicus]" . . . . . 97.99 915 97.26 98.63 4.20e-90 . . . . 17045 1 11 no REF XP_006246988 . "PREDICTED: kinase suppressor of Ras 1 isoform X7 [Rattus norvegicus]" . . . . . 97.99 888 97.26 98.63 2.03e-90 . . . . 17045 1 12 no REF XP_006246989 . "PREDICTED: kinase suppressor of Ras 1 isoform X6 [Rattus norvegicus]" . . . . . 97.99 874 97.26 98.63 1.87e-90 . . . . 17045 1 13 no REF XP_006532397 . "PREDICTED: kinase suppressor of Ras 1 isoform X4 [Mus musculus]" . . . . . 97.99 887 100.00 100.00 1.07e-92 . . . . 17045 1 14 no SP Q61097 . "RecName: Full=Kinase suppressor of Ras 1; Short=mKSR1; AltName: Full=Protein Hb" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 17045 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17045 1 2 . HIS . 17045 1 3 . MET . 17045 1 4 . ASP . 17045 1 5 . GLY . 17045 1 6 . GLY . 17045 1 7 . ALA . 17045 1 8 . GLY . 17045 1 9 . ALA . 17045 1 10 . ALA . 17045 1 11 . VAL . 17045 1 12 . SER . 17045 1 13 . ARG . 17045 1 14 . ALA . 17045 1 15 . LEU . 17045 1 16 . GLN . 17045 1 17 . GLN . 17045 1 18 . CYS . 17045 1 19 . GLY . 17045 1 20 . GLN . 17045 1 21 . LEU . 17045 1 22 . GLN . 17045 1 23 . LYS . 17045 1 24 . LEU . 17045 1 25 . ILE . 17045 1 26 . ASP . 17045 1 27 . ILE . 17045 1 28 . SER . 17045 1 29 . ILE . 17045 1 30 . GLY . 17045 1 31 . SER . 17045 1 32 . LEU . 17045 1 33 . ARG . 17045 1 34 . GLY . 17045 1 35 . LEU . 17045 1 36 . ARG . 17045 1 37 . THR . 17045 1 38 . LYS . 17045 1 39 . CYS . 17045 1 40 . SER . 17045 1 41 . VAL . 17045 1 42 . SER . 17045 1 43 . ASN . 17045 1 44 . ASP . 17045 1 45 . LEU . 17045 1 46 . THR . 17045 1 47 . GLN . 17045 1 48 . GLN . 17045 1 49 . GLU . 17045 1 50 . ILE . 17045 1 51 . ARG . 17045 1 52 . THR . 17045 1 53 . LEU . 17045 1 54 . GLU . 17045 1 55 . ALA . 17045 1 56 . LYS . 17045 1 57 . LEU . 17045 1 58 . VAL . 17045 1 59 . LYS . 17045 1 60 . TYR . 17045 1 61 . ILE . 17045 1 62 . CYS . 17045 1 63 . LYS . 17045 1 64 . GLN . 17045 1 65 . GLN . 17045 1 66 . GLN . 17045 1 67 . SER . 17045 1 68 . LYS . 17045 1 69 . LEU . 17045 1 70 . SER . 17045 1 71 . VAL . 17045 1 72 . THR . 17045 1 73 . PRO . 17045 1 74 . SER . 17045 1 75 . ASP . 17045 1 76 . ARG . 17045 1 77 . THR . 17045 1 78 . ALA . 17045 1 79 . GLU . 17045 1 80 . LEU . 17045 1 81 . ASN . 17045 1 82 . SER . 17045 1 83 . TYR . 17045 1 84 . PRO . 17045 1 85 . ARG . 17045 1 86 . PHE . 17045 1 87 . SER . 17045 1 88 . ASP . 17045 1 89 . TRP . 17045 1 90 . LEU . 17045 1 91 . TYR . 17045 1 92 . ILE . 17045 1 93 . PHE . 17045 1 94 . ASN . 17045 1 95 . VAL . 17045 1 96 . ARG . 17045 1 97 . PRO . 17045 1 98 . GLU . 17045 1 99 . VAL . 17045 1 100 . VAL . 17045 1 101 . GLN . 17045 1 102 . GLU . 17045 1 103 . ILE . 17045 1 104 . PRO . 17045 1 105 . GLN . 17045 1 106 . GLU . 17045 1 107 . LEU . 17045 1 108 . THR . 17045 1 109 . LEU . 17045 1 110 . ASP . 17045 1 111 . ALA . 17045 1 112 . LEU . 17045 1 113 . LEU . 17045 1 114 . GLU . 17045 1 115 . MET . 17045 1 116 . ASP . 17045 1 117 . GLU . 17045 1 118 . ALA . 17045 1 119 . LYS . 17045 1 120 . ALA . 17045 1 121 . LYS . 17045 1 122 . GLU . 17045 1 123 . MET . 17045 1 124 . LEU . 17045 1 125 . ARG . 17045 1 126 . ARG . 17045 1 127 . TRP . 17045 1 128 . GLY . 17045 1 129 . ALA . 17045 1 130 . SER . 17045 1 131 . THR . 17045 1 132 . GLU . 17045 1 133 . GLU . 17045 1 134 . CYS . 17045 1 135 . SER . 17045 1 136 . ARG . 17045 1 137 . LEU . 17045 1 138 . GLN . 17045 1 139 . GLN . 17045 1 140 . ALA . 17045 1 141 . LEU . 17045 1 142 . THR . 17045 1 143 . CYS . 17045 1 144 . LEU . 17045 1 145 . ARG . 17045 1 146 . LYS . 17045 1 147 . VAL . 17045 1 148 . THR . 17045 1 149 . GLY . 17045 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17045 1 . HIS 2 2 17045 1 . MET 3 3 17045 1 . ASP 4 4 17045 1 . GLY 5 5 17045 1 . GLY 6 6 17045 1 . ALA 7 7 17045 1 . GLY 8 8 17045 1 . ALA 9 9 17045 1 . ALA 10 10 17045 1 . VAL 11 11 17045 1 . SER 12 12 17045 1 . ARG 13 13 17045 1 . ALA 14 14 17045 1 . LEU 15 15 17045 1 . GLN 16 16 17045 1 . GLN 17 17 17045 1 . CYS 18 18 17045 1 . GLY 19 19 17045 1 . GLN 20 20 17045 1 . LEU 21 21 17045 1 . GLN 22 22 17045 1 . LYS 23 23 17045 1 . LEU 24 24 17045 1 . ILE 25 25 17045 1 . ASP 26 26 17045 1 . ILE 27 27 17045 1 . SER 28 28 17045 1 . ILE 29 29 17045 1 . GLY 30 30 17045 1 . SER 31 31 17045 1 . LEU 32 32 17045 1 . ARG 33 33 17045 1 . GLY 34 34 17045 1 . LEU 35 35 17045 1 . ARG 36 36 17045 1 . THR 37 37 17045 1 . LYS 38 38 17045 1 . CYS 39 39 17045 1 . SER 40 40 17045 1 . VAL 41 41 17045 1 . SER 42 42 17045 1 . ASN 43 43 17045 1 . ASP 44 44 17045 1 . LEU 45 45 17045 1 . THR 46 46 17045 1 . GLN 47 47 17045 1 . GLN 48 48 17045 1 . GLU 49 49 17045 1 . ILE 50 50 17045 1 . ARG 51 51 17045 1 . THR 52 52 17045 1 . LEU 53 53 17045 1 . GLU 54 54 17045 1 . ALA 55 55 17045 1 . LYS 56 56 17045 1 . LEU 57 57 17045 1 . VAL 58 58 17045 1 . LYS 59 59 17045 1 . TYR 60 60 17045 1 . ILE 61 61 17045 1 . CYS 62 62 17045 1 . LYS 63 63 17045 1 . GLN 64 64 17045 1 . GLN 65 65 17045 1 . GLN 66 66 17045 1 . SER 67 67 17045 1 . LYS 68 68 17045 1 . LEU 69 69 17045 1 . SER 70 70 17045 1 . VAL 71 71 17045 1 . THR 72 72 17045 1 . PRO 73 73 17045 1 . SER 74 74 17045 1 . ASP 75 75 17045 1 . ARG 76 76 17045 1 . THR 77 77 17045 1 . ALA 78 78 17045 1 . GLU 79 79 17045 1 . LEU 80 80 17045 1 . ASN 81 81 17045 1 . SER 82 82 17045 1 . TYR 83 83 17045 1 . PRO 84 84 17045 1 . ARG 85 85 17045 1 . PHE 86 86 17045 1 . SER 87 87 17045 1 . ASP 88 88 17045 1 . TRP 89 89 17045 1 . LEU 90 90 17045 1 . TYR 91 91 17045 1 . ILE 92 92 17045 1 . PHE 93 93 17045 1 . ASN 94 94 17045 1 . VAL 95 95 17045 1 . ARG 96 96 17045 1 . PRO 97 97 17045 1 . GLU 98 98 17045 1 . VAL 99 99 17045 1 . VAL 100 100 17045 1 . GLN 101 101 17045 1 . GLU 102 102 17045 1 . ILE 103 103 17045 1 . PRO 104 104 17045 1 . GLN 105 105 17045 1 . GLU 106 106 17045 1 . LEU 107 107 17045 1 . THR 108 108 17045 1 . LEU 109 109 17045 1 . ASP 110 110 17045 1 . ALA 111 111 17045 1 . LEU 112 112 17045 1 . LEU 113 113 17045 1 . GLU 114 114 17045 1 . MET 115 115 17045 1 . ASP 116 116 17045 1 . GLU 117 117 17045 1 . ALA 118 118 17045 1 . LYS 119 119 17045 1 . ALA 120 120 17045 1 . LYS 121 121 17045 1 . GLU 122 122 17045 1 . MET 123 123 17045 1 . LEU 124 124 17045 1 . ARG 125 125 17045 1 . ARG 126 126 17045 1 . TRP 127 127 17045 1 . GLY 128 128 17045 1 . ALA 129 129 17045 1 . SER 130 130 17045 1 . THR 131 131 17045 1 . GLU 132 132 17045 1 . GLU 133 133 17045 1 . CYS 134 134 17045 1 . SER 135 135 17045 1 . ARG 136 136 17045 1 . LEU 137 137 17045 1 . GLN 138 138 17045 1 . GLN 139 139 17045 1 . ALA 140 140 17045 1 . LEU 141 141 17045 1 . THR 142 142 17045 1 . CYS 143 143 17045 1 . LEU 144 144 17045 1 . ARG 145 145 17045 1 . LYS 146 146 17045 1 . VAL 147 147 17045 1 . THR 148 148 17045 1 . GLY 149 149 17045 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 17045 _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 $KSR1_CA1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17045 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 17045 _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 $KSR1_CA1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pJexpress411 . . . . . . 17045 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17045 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KSR1 CA1' '[U-99% 13C; U-99% 15N]' . . 1 $KSR1_CA1 . . 2 . . mM . . . . 17045 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17045 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17045 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17045 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17045 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KSR1 CA1' 'natural abundance' . . 1 $KSR1_CA1 . . 2 . . mM . . . . 17045 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17045 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17045 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17045 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17045 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KSR1 CA1' '[U-99% 15N]' . . 1 $KSR1_CA1 . . 2 . . mM . . . . 17045 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17045 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17045 3 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17045 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 17045 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 17045 1 pH 6.5 . pH 17045 1 pressure 1 . atm 17045 1 temperature 298 . K 17045 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17045 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17045 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17045 1 processing 17045 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17045 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17045 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17045 2 'peak picking' 17045 2 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 17045 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17045 _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 17045 _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 . 500 . . . 17045 1 2 spectrometer_2 Bruker Avance . 800 . . . 17045 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 17045 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1 5 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17045 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17045 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17045 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17045 1 13 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1 14 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 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 17045 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17045 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17045 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17045 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 17045 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17045 1 3 '3D HNCACB' . . . 17045 1 4 '3D CBCA(CO)NH' . . . 17045 1 6 '3D HBHA(CO)NH' . . . 17045 1 7 '3D HNCO' . . . 17045 1 8 '3D HCCH-TOCSY' . . . 17045 1 9 '3D 1H-15N NOESY' . . . 17045 1 12 '2D 1H-1H NOESY' . . . 17045 1 14 '3D HN(CA)CO' . . . 17045 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 3 3 MET HA H 1 4.437 0.015 . 1 . . . . 3 M HA . 17045 1 2 . 1 1 3 3 MET HB2 H 1 2.062 0.015 . 1 . . . . 3 M HB2 . 17045 1 3 . 1 1 3 3 MET HB3 H 1 1.921 0.015 . 1 . . . . 3 M HB3 . 17045 1 4 . 1 1 3 3 MET HE1 H 1 2.051 0.015 . 1 . . . . 3 M QE . 17045 1 5 . 1 1 3 3 MET HE2 H 1 2.051 0.015 . 1 . . . . 3 M QE . 17045 1 6 . 1 1 3 3 MET HE3 H 1 2.051 0.015 . 1 . . . . 3 M QE . 17045 1 7 . 1 1 3 3 MET HG2 H 1 2.469 0.015 . 1 . . . . 3 M HG2 . 17045 1 8 . 1 1 3 3 MET HG3 H 1 2.365 0.015 . 1 . . . . 3 M HG3 . 17045 1 9 . 1 1 3 3 MET C C 13 175.922 0.5 . 1 . . . . 3 M C . 17045 1 10 . 1 1 3 3 MET CA C 13 55.243 0.5 . 1 . . . . 3 M CA . 17045 1 11 . 1 1 3 3 MET CB C 13 32.181 0.5 . 1 . . . . 3 M CB . 17045 1 12 . 1 1 3 3 MET CE C 13 16.806 0.5 . 1 . . . . 3 M CE . 17045 1 13 . 1 1 3 3 MET CG C 13 31.701 0.5 . 1 . . . . 3 M CG . 17045 1 14 . 1 1 4 4 ASP H H 1 8.213 0.015 . 1 . . . . 4 D H . 17045 1 15 . 1 1 4 4 ASP HA H 1 4.582 0.015 . 1 . . . . 4 D HA . 17045 1 16 . 1 1 4 4 ASP HB2 H 1 2.673 0.015 . 1 . . . . 4 D QB . 17045 1 17 . 1 1 4 4 ASP HB3 H 1 2.673 0.015 . 1 . . . . 4 D QB . 17045 1 18 . 1 1 4 4 ASP C C 13 176.908 0.5 . 1 . . . . 4 D C . 17045 1 19 . 1 1 4 4 ASP CA C 13 54.763 0.5 . 1 . . . . 4 D CA . 17045 1 20 . 1 1 4 4 ASP CB C 13 41.310 0.5 . 1 . . . . 4 D CB . 17045 1 21 . 1 1 4 4 ASP N N 15 121.434 0.12 . 1 . . . . 4 D N . 17045 1 22 . 1 1 5 5 GLY H H 1 8.374 0.015 . 1 . . . . 5 G H . 17045 1 23 . 1 1 5 5 GLY HA2 H 1 3.940 0.015 . 1 . . . . 5 G QA . 17045 1 24 . 1 1 5 5 GLY HA3 H 1 3.940 0.015 . 1 . . . . 5 G QA . 17045 1 25 . 1 1 5 5 GLY C C 13 175.097 0.5 . 1 . . . . 5 G C . 17045 1 26 . 1 1 5 5 GLY CA C 13 45.634 0.5 . 1 . . . . 5 G CA . 17045 1 27 . 1 1 5 5 GLY N N 15 109.609 0.12 . 1 . . . . 5 G N . 17045 1 28 . 1 1 6 6 GLY H H 1 8.295 0.015 . 1 . . . . 6 G H . 17045 1 29 . 1 1 6 6 GLY HA2 H 1 3.960 0.015 . 1 . . . . 6 G QA . 17045 1 30 . 1 1 6 6 GLY HA3 H 1 3.960 0.015 . 1 . . . . 6 G QA . 17045 1 31 . 1 1 6 6 GLY C C 13 174.748 0.5 . 1 . . . . 6 G C . 17045 1 32 . 1 1 6 6 GLY CA C 13 45.153 0.5 . 1 . . . . 6 G CA . 17045 1 33 . 1 1 6 6 GLY N N 15 108.869 0.12 . 1 . . . . 6 G N . 17045 1 34 . 1 1 7 7 ALA H H 1 8.328 0.015 . 1 . . . . 7 A H . 17045 1 35 . 1 1 7 7 ALA HA H 1 4.267 0.015 . 1 . . . . 7 A HA . 17045 1 36 . 1 1 7 7 ALA HB1 H 1 1.391 0.015 . 1 . . . . 7 A QB . 17045 1 37 . 1 1 7 7 ALA HB2 H 1 1.391 0.015 . 1 . . . . 7 A QB . 17045 1 38 . 1 1 7 7 ALA HB3 H 1 1.391 0.015 . 1 . . . . 7 A QB . 17045 1 39 . 1 1 7 7 ALA C C 13 179.010 0.5 . 1 . . . . 7 A C . 17045 1 40 . 1 1 7 7 ALA CA C 13 53.802 0.5 . 1 . . . . 7 A CA . 17045 1 41 . 1 1 7 7 ALA CB C 13 19.209 0.5 . 1 . . . . 7 A CB . 17045 1 42 . 1 1 7 7 ALA N N 15 124.516 0.12 . 1 . . . . 7 A N . 17045 1 43 . 1 1 8 8 GLY H H 1 8.465 0.015 . 1 . . . . 8 G H . 17045 1 44 . 1 1 8 8 GLY HA2 H 1 3.907 0.015 . 1 . . . . 8 G QA . 17045 1 45 . 1 1 8 8 GLY HA3 H 1 3.907 0.015 . 1 . . . . 8 G QA . 17045 1 46 . 1 1 8 8 GLY C C 13 175.748 0.5 . 1 . . . . 8 G C . 17045 1 47 . 1 1 8 8 GLY CA C 13 46.114 0.5 . 1 . . . . 8 G CA . 17045 1 48 . 1 1 8 8 GLY N N 15 107.022 0.12 . 1 . . . . 8 G N . 17045 1 49 . 1 1 9 9 ALA H H 1 7.998 0.015 . 1 . . . . 9 A H . 17045 1 50 . 1 1 9 9 ALA HA H 1 4.206 0.015 . 1 . . . . 9 A HA . 17045 1 51 . 1 1 9 9 ALA HB1 H 1 1.426 0.015 . 1 . . . . 9 A QB . 17045 1 52 . 1 1 9 9 ALA HB2 H 1 1.426 0.015 . 1 . . . . 9 A QB . 17045 1 53 . 1 1 9 9 ALA HB3 H 1 1.426 0.015 . 1 . . . . 9 A QB . 17045 1 54 . 1 1 9 9 ALA C C 13 179.395 0.5 . 1 . . . . 9 A C . 17045 1 55 . 1 1 9 9 ALA CA C 13 54.282 0.5 . 1 . . . . 9 A CA . 17045 1 56 . 1 1 9 9 ALA CB C 13 18.728 0.5 . 1 . . . . 9 A CB . 17045 1 57 . 1 1 9 9 ALA N N 15 124.242 0.12 . 1 . . . . 9 A N . 17045 1 58 . 1 1 10 10 ALA H H 1 8.150 0.015 . 1 . . . . 10 A H . 17045 1 59 . 1 1 10 10 ALA HA H 1 4.075 0.015 . 1 . . . . 10 A HA . 17045 1 60 . 1 1 10 10 ALA HB1 H 1 1.533 0.015 . 1 . . . . 10 A QB . 17045 1 61 . 1 1 10 10 ALA HB2 H 1 1.533 0.015 . 1 . . . . 10 A QB . 17045 1 62 . 1 1 10 10 ALA HB3 H 1 1.533 0.015 . 1 . . . . 10 A QB . 17045 1 63 . 1 1 10 10 ALA C C 13 180.830 0.5 . 1 . . . . 10 A C . 17045 1 64 . 1 1 10 10 ALA CA C 13 55.243 0.5 . 1 . . . . 10 A CA . 17045 1 65 . 1 1 10 10 ALA CB C 13 18.248 0.5 . 1 . . . . 10 A CB . 17045 1 66 . 1 1 10 10 ALA N N 15 121.803 0.12 . 1 . . . . 10 A N . 17045 1 67 . 1 1 11 11 VAL H H 1 8.301 0.015 . 1 . . . . 11 V H . 17045 1 68 . 1 1 11 11 VAL HA H 1 3.638 0.015 . 1 . . . . 11 V HA . 17045 1 69 . 1 1 11 11 VAL HB H 1 2.167 0.015 . 1 . . . . 11 V HB . 17045 1 70 . 1 1 11 11 VAL HG11 H 1 1.157 0.015 . 2 . . . . 11 V QG1 . 17045 1 71 . 1 1 11 11 VAL HG12 H 1 1.157 0.015 . 2 . . . . 11 V QG1 . 17045 1 72 . 1 1 11 11 VAL HG13 H 1 1.157 0.015 . 2 . . . . 11 V QG1 . 17045 1 73 . 1 1 11 11 VAL HG21 H 1 1.048 0.015 . 2 . . . . 11 V QG2 . 17045 1 74 . 1 1 11 11 VAL HG22 H 1 1.048 0.015 . 2 . . . . 11 V QG2 . 17045 1 75 . 1 1 11 11 VAL HG23 H 1 1.048 0.015 . 2 . . . . 11 V QG2 . 17045 1 76 . 1 1 11 11 VAL C C 13 177.189 0.5 . 1 . . . . 11 V C . 17045 1 77 . 1 1 11 11 VAL CA C 13 66.294 0.5 . 1 . . . . 11 V CA . 17045 1 78 . 1 1 11 11 VAL CB C 13 31.701 0.5 . 1 . . . . 11 V CB . 17045 1 79 . 1 1 11 11 VAL CG1 C 13 24.013 0.5 . 1 . . . . 11 V CG1 . 17045 1 80 . 1 1 11 11 VAL CG2 C 13 21.131 0.5 . 1 . . . . 11 V CG2 . 17045 1 81 . 1 1 11 11 VAL N N 15 119.408 0.12 . 1 . . . . 11 V N . 17045 1 82 . 1 1 12 12 SER H H 1 7.893 0.015 . 1 . . . . 12 S H . 17045 1 83 . 1 1 12 12 SER HA H 1 3.933 0.015 . 1 . . . . 12 S HA . 17045 1 84 . 1 1 12 12 SER HB2 H 1 4.161 0.015 . 1 . . . . 12 S QB . 17045 1 85 . 1 1 12 12 SER HB3 H 1 4.161 0.015 . 1 . . . . 12 S QB . 17045 1 86 . 1 1 12 12 SER C C 13 177.443 0.5 . 1 . . . . 12 S C . 17045 1 87 . 1 1 12 12 SER CA C 13 62.450 0.5 . 1 . . . . 12 S CA . 17045 1 88 . 1 1 12 12 SER CB C 13 62.450 0.5 . 1 . . . . 12 S CB . 17045 1 89 . 1 1 12 12 SER N N 15 115.024 0.12 . 1 . . . . 12 S N . 17045 1 90 . 1 1 13 13 ARG H H 1 8.010 0.015 . 1 . . . . 13 R H . 17045 1 91 . 1 1 13 13 ARG HA H 1 4.062 0.015 . 1 . . . . 13 R HA . 17045 1 92 . 1 1 13 13 ARG HB2 H 1 1.853 0.015 . 1 . . . . 13 R QB . 17045 1 93 . 1 1 13 13 ARG HB3 H 1 1.853 0.015 . 1 . . . . 13 R QB . 17045 1 94 . 1 1 13 13 ARG HD2 H 1 3.181 0.015 . 1 . . . . 13 R QD . 17045 1 95 . 1 1 13 13 ARG HD3 H 1 3.181 0.015 . 1 . . . . 13 R QD . 17045 1 96 . 1 1 13 13 ARG HG2 H 1 1.747 0.015 . 1 . . . . 13 R QG . 17045 1 97 . 1 1 13 13 ARG HG3 H 1 1.747 0.015 . 1 . . . . 13 R QG . 17045 1 98 . 1 1 13 13 ARG C C 13 178.560 0.5 . 1 . . . . 13 R C . 17045 1 99 . 1 1 13 13 ARG CA C 13 59.567 0.5 . 1 . . . . 13 R CA . 17045 1 100 . 1 1 13 13 ARG CB C 13 29.779 0.5 . 1 . . . . 13 R CB . 17045 1 101 . 1 1 13 13 ARG CD C 13 43.232 0.5 . 1 . . . . 13 R CD . 17045 1 102 . 1 1 13 13 ARG CG C 13 27.376 0.5 . 1 . . . . 13 R CG . 17045 1 103 . 1 1 13 13 ARG N N 15 121.847 0.12 . 1 . . . . 13 R N . 17045 1 104 . 1 1 14 14 ALA H H 1 7.819 0.015 . 1 . . . . 14 A H . 17045 1 105 . 1 1 14 14 ALA HA H 1 4.132 0.015 . 1 . . . . 14 A HA . 17045 1 106 . 1 1 14 14 ALA HB1 H 1 1.349 0.015 . 1 . . . . 14 A QB . 17045 1 107 . 1 1 14 14 ALA HB2 H 1 1.349 0.015 . 1 . . . . 14 A QB . 17045 1 108 . 1 1 14 14 ALA HB3 H 1 1.349 0.015 . 1 . . . . 14 A QB . 17045 1 109 . 1 1 14 14 ALA C C 13 180.259 0.5 . 1 . . . . 14 A C . 17045 1 110 . 1 1 14 14 ALA CA C 13 55.243 0.5 . 1 . . . . 14 A CA . 17045 1 111 . 1 1 14 14 ALA CB C 13 19.689 0.5 . 1 . . . . 14 A CB . 17045 1 112 . 1 1 14 14 ALA N N 15 122.845 0.12 . 1 . . . . 14 A N . 17045 1 113 . 1 1 15 15 LEU H H 1 8.721 0.015 . 1 . . . . 15 L H . 17045 1 114 . 1 1 15 15 LEU HA H 1 3.780 0.015 . 1 . . . . 15 L HA . 17045 1 115 . 1 1 15 15 LEU HB2 H 1 1.898 0.015 . 1 . . . . 15 L HB2 . 17045 1 116 . 1 1 15 15 LEU HB3 H 1 1.544 0.015 . 1 . . . . 15 L HB3 . 17045 1 117 . 1 1 15 15 LEU HD11 H 1 0.895 0.015 . 2 . . . . 15 L QD1 . 17045 1 118 . 1 1 15 15 LEU HD12 H 1 0.895 0.015 . 2 . . . . 15 L QD1 . 17045 1 119 . 1 1 15 15 LEU HD13 H 1 0.895 0.015 . 2 . . . . 15 L QD1 . 17045 1 120 . 1 1 15 15 LEU HD21 H 1 0.876 0.015 . 2 . . . . 15 L QD2 . 17045 1 121 . 1 1 15 15 LEU HD22 H 1 0.876 0.015 . 2 . . . . 15 L QD2 . 17045 1 122 . 1 1 15 15 LEU HD23 H 1 0.876 0.015 . 2 . . . . 15 L QD2 . 17045 1 123 . 1 1 15 15 LEU HG H 1 1.724 0.015 . 1 . . . . 15 L HG . 17045 1 124 . 1 1 15 15 LEU C C 13 180.557 0.5 . 1 . . . . 15 L C . 17045 1 125 . 1 1 15 15 LEU CA C 13 58.126 0.5 . 1 . . . . 15 L CA . 17045 1 126 . 1 1 15 15 LEU CB C 13 42.271 0.5 . 1 . . . . 15 L CB . 17045 1 127 . 1 1 15 15 LEU CD1 C 13 25.455 0.5 . 1 . . . . 15 L CD1 . 17045 1 128 . 1 1 15 15 LEU CD2 C 13 23.533 0.5 . 1 . . . . 15 L CD2 . 17045 1 129 . 1 1 15 15 LEU CG C 13 26.896 0.5 . 1 . . . . 15 L CG . 17045 1 130 . 1 1 15 15 LEU N N 15 119.383 0.12 . 1 . . . . 15 L N . 17045 1 131 . 1 1 16 16 GLN H H 1 8.121 0.015 . 1 . . . . 16 Q H . 17045 1 132 . 1 1 16 16 GLN HA H 1 4.030 0.015 . 1 . . . . 16 Q HA . 17045 1 133 . 1 1 16 16 GLN HB2 H 1 2.187 0.015 . 1 . . . . 16 Q QB . 17045 1 134 . 1 1 16 16 GLN HB3 H 1 2.187 0.015 . 1 . . . . 16 Q QB . 17045 1 135 . 1 1 16 16 GLN HE21 H 1 7.320 0.015 . 1 . . . . 16 Q HE21 . 17045 1 136 . 1 1 16 16 GLN HE22 H 1 6.738 0.015 . 1 . . . . 16 Q HE22 . 17045 1 137 . 1 1 16 16 GLN HG2 H 1 2.404 0.015 . 1 . . . . 16 Q QG . 17045 1 138 . 1 1 16 16 GLN HG3 H 1 2.404 0.015 . 1 . . . . 16 Q QG . 17045 1 139 . 1 1 16 16 GLN C C 13 179.131 0.5 . 1 . . . . 16 Q C . 17045 1 140 . 1 1 16 16 GLN CA C 13 59.087 0.5 . 1 . . . . 16 Q CA . 17045 1 141 . 1 1 16 16 GLN CB C 13 27.376 0.5 . 1 . . . . 16 Q CB . 17045 1 142 . 1 1 16 16 GLN CG C 13 33.622 0.5 . 1 . . . . 16 Q CG . 17045 1 143 . 1 1 16 16 GLN N N 15 121.609 0.12 . 1 . . . . 16 Q N . 17045 1 144 . 1 1 16 16 GLN NE2 N 15 111.213 0.12 . 1 . . . . 16 Q NE2 . 17045 1 145 . 1 1 17 17 GLN H H 1 8.092 0.015 . 1 . . . . 17 Q H . 17045 1 146 . 1 1 17 17 GLN HA H 1 4.029 0.015 . 1 . . . . 17 Q HA . 17045 1 147 . 1 1 17 17 GLN HB2 H 1 2.311 0.015 . 1 . . . . 17 Q HB2 . 17045 1 148 . 1 1 17 17 GLN HB3 H 1 2.059 0.015 . 1 . . . . 17 Q HB3 . 17045 1 149 . 1 1 17 17 GLN HE21 H 1 7.349 0.015 . 1 . . . . 17 Q HE21 . 17045 1 150 . 1 1 17 17 GLN HE22 H 1 6.781 0.015 . 1 . . . . 17 Q HE22 . 17045 1 151 . 1 1 17 17 GLN HG2 H 1 2.454 0.015 . 1 . . . . 17 Q QG . 17045 1 152 . 1 1 17 17 GLN HG3 H 1 2.454 0.015 . 1 . . . . 17 Q QG . 17045 1 153 . 1 1 17 17 GLN C C 13 179.585 0.5 . 1 . . . . 17 Q C . 17045 1 154 . 1 1 17 17 GLN CA C 13 59.087 0.5 . 1 . . . . 17 Q CA . 17045 1 155 . 1 1 17 17 GLN CB C 13 27.857 0.5 . 1 . . . . 17 Q CB . 17045 1 156 . 1 1 17 17 GLN CG C 13 33.622 0.5 . 1 . . . . 17 Q CG . 17045 1 157 . 1 1 17 17 GLN N N 15 119.940 0.12 . 1 . . . . 17 Q N . 17045 1 158 . 1 1 17 17 GLN NE2 N 15 111.006 0.12 . 1 . . . . 17 Q NE2 . 17045 1 159 . 1 1 18 18 CYS H H 1 8.694 0.015 . 1 . . . . 18 C H . 17045 1 160 . 1 1 18 18 CYS HA H 1 3.801 0.015 . 1 . . . . 18 C HA . 17045 1 161 . 1 1 18 18 CYS HB2 H 1 2.379 0.015 . 1 . . . . 18 C QB . 17045 1 162 . 1 1 18 18 CYS HB3 H 1 2.379 0.015 . 1 . . . . 18 C QB . 17045 1 163 . 1 1 18 18 CYS C C 13 177.696 0.5 . 1 . . . . 18 C C . 17045 1 164 . 1 1 18 18 CYS CA C 13 66.294 0.5 . 1 . . . . 18 C CA . 17045 1 165 . 1 1 18 18 CYS CB C 13 25.935 0.5 . 1 . . . . 18 C CB . 17045 1 166 . 1 1 18 18 CYS N N 15 116.683 0.12 . 1 . . . . 18 C N . 17045 1 167 . 1 1 19 19 GLY H H 1 8.321 0.015 . 1 . . . . 19 G H . 17045 1 168 . 1 1 19 19 GLY HA2 H 1 3.878 0.015 . 1 . . . . 19 G QA . 17045 1 169 . 1 1 19 19 GLY HA3 H 1 3.878 0.015 . 1 . . . . 19 G QA . 17045 1 170 . 1 1 19 19 GLY C C 13 176.408 0.5 . 1 . . . . 19 G C . 17045 1 171 . 1 1 19 19 GLY CA C 13 46.595 0.5 . 1 . . . . 19 G CA . 17045 1 172 . 1 1 19 19 GLY N N 15 108.080 0.12 . 1 . . . . 19 G N . 17045 1 173 . 1 1 20 20 GLN H H 1 7.942 0.015 . 1 . . . . 20 Q H . 17045 1 174 . 1 1 20 20 GLN HA H 1 4.045 0.015 . 1 . . . . 20 Q HA . 17045 1 175 . 1 1 20 20 GLN HB2 H 1 2.148 0.015 . 1 . . . . 20 Q HB2 . 17045 1 176 . 1 1 20 20 GLN HB3 H 1 2.069 0.015 . 1 . . . . 20 Q HB3 . 17045 1 177 . 1 1 20 20 GLN HE21 H 1 7.318 0.015 . 1 . . . . 20 Q HE21 . 17045 1 178 . 1 1 20 20 GLN HE22 H 1 6.722 0.015 . 1 . . . . 20 Q HE22 . 17045 1 179 . 1 1 20 20 GLN HG2 H 1 2.470 0.015 . 1 . . . . 20 Q QG . 17045 1 180 . 1 1 20 20 GLN HG3 H 1 2.470 0.015 . 1 . . . . 20 Q QG . 17045 1 181 . 1 1 20 20 GLN C C 13 179.771 0.5 . 1 . . . . 20 Q C . 17045 1 182 . 1 1 20 20 GLN CA C 13 59.087 0.5 . 1 . . . . 20 Q CA . 17045 1 183 . 1 1 20 20 GLN CB C 13 27.376 0.5 . 1 . . . . 20 Q CB . 17045 1 184 . 1 1 20 20 GLN CG C 13 34.103 0.5 . 1 . . . . 20 Q CG . 17045 1 185 . 1 1 20 20 GLN N N 15 123.288 0.12 . 1 . . . . 20 Q N . 17045 1 186 . 1 1 20 20 GLN NE2 N 15 111.213 0.12 . 1 . . . . 20 Q NE2 . 17045 1 187 . 1 1 21 21 LEU H H 1 7.938 0.015 . 1 . . . . 21 L H . 17045 1 188 . 1 1 21 21 LEU HA H 1 3.780 0.015 . 1 . . . . 21 L HA . 17045 1 189 . 1 1 21 21 LEU HB2 H 1 1.834 0.015 . 1 . . . . 21 L QB . 17045 1 190 . 1 1 21 21 LEU HB3 H 1 1.834 0.015 . 1 . . . . 21 L QB . 17045 1 191 . 1 1 21 21 LEU HD11 H 1 0.900 0.015 . 2 . . . . 21 L QD1 . 17045 1 192 . 1 1 21 21 LEU HD12 H 1 0.900 0.015 . 2 . . . . 21 L QD1 . 17045 1 193 . 1 1 21 21 LEU HD13 H 1 0.900 0.015 . 2 . . . . 21 L QD1 . 17045 1 194 . 1 1 21 21 LEU HD21 H 1 0.836 0.015 . 2 . . . . 21 L QD2 . 17045 1 195 . 1 1 21 21 LEU HD22 H 1 0.836 0.015 . 2 . . . . 21 L QD2 . 17045 1 196 . 1 1 21 21 LEU HD23 H 1 0.836 0.015 . 2 . . . . 21 L QD2 . 17045 1 197 . 1 1 21 21 LEU HG H 1 1.724 0.015 . 1 . . . . 21 L HG . 17045 1 198 . 1 1 21 21 LEU C C 13 178.334 0.5 . 1 . . . . 21 L C . 17045 1 199 . 1 1 21 21 LEU CA C 13 57.645 0.5 . 1 . . . . 21 L CA . 17045 1 200 . 1 1 21 21 LEU CB C 13 43.232 0.5 . 1 . . . . 21 L CB . 17045 1 201 . 1 1 21 21 LEU CD1 C 13 23.052 0.5 . 1 . . . . 21 L CD1 . 17045 1 202 . 1 1 21 21 LEU CD2 C 13 23.052 0.5 . 1 . . . . 21 L CD2 . 17045 1 203 . 1 1 21 21 LEU CG C 13 27.376 0.5 . 1 . . . . 21 L CG . 17045 1 204 . 1 1 21 21 LEU N N 15 119.739 0.12 . 1 . . . . 21 L N . 17045 1 205 . 1 1 22 22 GLN H H 1 8.298 0.015 . 1 . . . . 22 Q H . 17045 1 206 . 1 1 22 22 GLN HA H 1 3.730 0.015 . 1 . . . . 22 Q HA . 17045 1 207 . 1 1 22 22 GLN HB2 H 1 2.309 0.015 . 1 . . . . 22 Q HB2 . 17045 1 208 . 1 1 22 22 GLN HB3 H 1 2.178 0.015 . 1 . . . . 22 Q HB3 . 17045 1 209 . 1 1 22 22 GLN HE21 H 1 7.471 0.015 . 1 . . . . 22 Q HE21 . 17045 1 210 . 1 1 22 22 GLN HE22 H 1 6.566 0.015 . 1 . . . . 22 Q HE22 . 17045 1 211 . 1 1 22 22 GLN HG2 H 1 2.499 0.015 . 1 . . . . 22 Q QG . 17045 1 212 . 1 1 22 22 GLN HG3 H 1 2.499 0.015 . 1 . . . . 22 Q QG . 17045 1 213 . 1 1 22 22 GLN C C 13 177.116 0.5 . 1 . . . . 22 Q C . 17045 1 214 . 1 1 22 22 GLN CA C 13 57.165 0.5 . 1 . . . . 22 Q CA . 17045 1 215 . 1 1 22 22 GLN CB C 13 27.376 0.5 . 1 . . . . 22 Q CB . 17045 1 216 . 1 1 22 22 GLN CG C 13 33.622 0.5 . 1 . . . . 22 Q CG . 17045 1 217 . 1 1 22 22 GLN N N 15 119.407 0.12 . 1 . . . . 22 Q N . 17045 1 218 . 1 1 22 22 GLN NE2 N 15 110.177 0.12 . 1 . . . . 22 Q NE2 . 17045 1 219 . 1 1 23 23 LYS H H 1 7.232 0.015 . 1 . . . . 23 K H . 17045 1 220 . 1 1 23 23 LYS HA H 1 4.118 0.015 . 1 . . . . 23 K HA . 17045 1 221 . 1 1 23 23 LYS HB2 H 1 1.887 0.015 . 1 . . . . 23 K QB . 17045 1 222 . 1 1 23 23 LYS HB3 H 1 1.887 0.015 . 1 . . . . 23 K QB . 17045 1 223 . 1 1 23 23 LYS HD2 H 1 1.657 0.015 . 1 . . . . 23 K QD . 17045 1 224 . 1 1 23 23 LYS HD3 H 1 1.657 0.015 . 1 . . . . 23 K QD . 17045 1 225 . 1 1 23 23 LYS HE2 H 1 2.947 0.015 . 1 . . . . 23 K QE . 17045 1 226 . 1 1 23 23 LYS HE3 H 1 2.947 0.015 . 1 . . . . 23 K QE . 17045 1 227 . 1 1 23 23 LYS HG2 H 1 1.484 0.015 . 1 . . . . 23 K QG . 17045 1 228 . 1 1 23 23 LYS HG3 H 1 1.484 0.015 . 1 . . . . 23 K QG . 17045 1 229 . 1 1 23 23 LYS C C 13 179.361 0.5 . 1 . . . . 23 K C . 17045 1 230 . 1 1 23 23 LYS CA C 13 59.567 0.5 . 1 . . . . 23 K CA . 17045 1 231 . 1 1 23 23 LYS CB C 13 32.181 0.5 . 1 . . . . 23 K CB . 17045 1 232 . 1 1 23 23 LYS CD C 13 29.298 0.5 . 1 . . . . 23 K CD . 17045 1 233 . 1 1 23 23 LYS CE C 13 42.271 0.5 . 1 . . . . 23 K CE . 17045 1 234 . 1 1 23 23 LYS CG C 13 25.455 0.5 . 1 . . . . 23 K CG . 17045 1 235 . 1 1 23 23 LYS N N 15 117.140 0.12 . 1 . . . . 23 K N . 17045 1 236 . 1 1 24 24 LEU H H 1 6.690 0.015 . 1 . . . . 24 L H . 17045 1 237 . 1 1 24 24 LEU HA H 1 3.966 0.015 . 1 . . . . 24 L HA . 17045 1 238 . 1 1 24 24 LEU HB2 H 1 1.355 0.015 . 1 . . . . 24 L HB2 . 17045 1 239 . 1 1 24 24 LEU HB3 H 1 0.985 0.015 . 1 . . . . 24 L HB3 . 17045 1 240 . 1 1 24 24 LEU HD11 H 1 0.645 0.015 . 2 . . . . 24 L QD1 . 17045 1 241 . 1 1 24 24 LEU HD12 H 1 0.645 0.015 . 2 . . . . 24 L QD1 . 17045 1 242 . 1 1 24 24 LEU HD13 H 1 0.645 0.015 . 2 . . . . 24 L QD1 . 17045 1 243 . 1 1 24 24 LEU HD21 H 1 0.700 0.015 . 2 . . . . 24 L QD2 . 17045 1 244 . 1 1 24 24 LEU HD22 H 1 0.700 0.015 . 2 . . . . 24 L QD2 . 17045 1 245 . 1 1 24 24 LEU HD23 H 1 0.700 0.015 . 2 . . . . 24 L QD2 . 17045 1 246 . 1 1 24 24 LEU HG H 1 1.588 0.015 . 1 . . . . 24 L HG . 17045 1 247 . 1 1 24 24 LEU C C 13 180.851 0.5 . 1 . . . . 24 L C . 17045 1 248 . 1 1 24 24 LEU CA C 13 57.165 0.5 . 1 . . . . 24 L CA . 17045 1 249 . 1 1 24 24 LEU CB C 13 40.349 0.5 . 1 . . . . 24 L CB . 17045 1 250 . 1 1 24 24 LEU CD1 C 13 24.494 0.5 . 1 . . . . 24 L CD1 . 17045 1 251 . 1 1 24 24 LEU CD2 C 13 22.091 0.5 . 1 . . . . 24 L CD2 . 17045 1 252 . 1 1 24 24 LEU CG C 13 26.416 0.5 . 1 . . . . 24 L CG . 17045 1 253 . 1 1 24 24 LEU N N 15 117.044 0.12 . 1 . . . . 24 L N . 17045 1 254 . 1 1 25 25 ILE H H 1 8.484 0.015 . 1 . . . . 25 I H . 17045 1 255 . 1 1 25 25 ILE HA H 1 3.590 0.015 . 1 . . . . 25 I HA . 17045 1 256 . 1 1 25 25 ILE HB H 1 1.984 0.015 . 1 . . . . 25 I HB . 17045 1 257 . 1 1 25 25 ILE HD11 H 1 0.817 0.015 . 1 . . . . 25 I QD1 . 17045 1 258 . 1 1 25 25 ILE HD12 H 1 0.817 0.015 . 1 . . . . 25 I QD1 . 17045 1 259 . 1 1 25 25 ILE HD13 H 1 0.817 0.015 . 1 . . . . 25 I QD1 . 17045 1 260 . 1 1 25 25 ILE HG12 H 1 1.705 0.015 . 1 . . . . 25 I QG1 . 17045 1 261 . 1 1 25 25 ILE HG13 H 1 1.705 0.015 . 1 . . . . 25 I QG1 . 17045 1 262 . 1 1 25 25 ILE HG21 H 1 0.936 0.015 . 1 . . . . 25 I QG2 . 17045 1 263 . 1 1 25 25 ILE HG22 H 1 0.936 0.015 . 1 . . . . 25 I QG2 . 17045 1 264 . 1 1 25 25 ILE HG23 H 1 0.936 0.015 . 1 . . . . 25 I QG2 . 17045 1 265 . 1 1 25 25 ILE C C 13 177.028 0.5 . 1 . . . . 25 I C . 17045 1 266 . 1 1 25 25 ILE CA C 13 65.813 0.5 . 1 . . . . 25 I CA . 17045 1 267 . 1 1 25 25 ILE CB C 13 37.947 0.5 . 1 . . . . 25 I CB . 17045 1 268 . 1 1 25 25 ILE CD1 C 13 14.404 0.5 . 1 . . . . 25 I CD1 . 17045 1 269 . 1 1 25 25 ILE CG1 C 13 31.701 0.5 . 1 . . . . 25 I CG1 . 17045 1 270 . 1 1 25 25 ILE CG2 C 13 16.806 0.5 . 1 . . . . 25 I CG2 . 17045 1 271 . 1 1 25 25 ILE N N 15 124.702 0.12 . 1 . . . . 25 I N . 17045 1 272 . 1 1 26 26 ASP H H 1 9.021 0.015 . 1 . . . . 26 D H . 17045 1 273 . 1 1 26 26 ASP HA H 1 4.321 0.015 . 1 . . . . 26 D HA . 17045 1 274 . 1 1 26 26 ASP HB2 H 1 2.815 0.015 . 1 . . . . 26 D HB2 . 17045 1 275 . 1 1 26 26 ASP HB3 H 1 2.626 0.015 . 1 . . . . 26 D HB3 . 17045 1 276 . 1 1 26 26 ASP C C 13 180.812 0.5 . 1 . . . . 26 D C . 17045 1 277 . 1 1 26 26 ASP CA C 13 58.126 0.5 . 1 . . . . 26 D CA . 17045 1 278 . 1 1 26 26 ASP CB C 13 39.868 0.5 . 1 . . . . 26 D CB . 17045 1 279 . 1 1 26 26 ASP N N 15 120.597 0.12 . 1 . . . . 26 D N . 17045 1 280 . 1 1 27 27 ILE H H 1 7.616 0.015 . 1 . . . . 27 I H . 17045 1 281 . 1 1 27 27 ILE HA H 1 3.848 0.015 . 1 . . . . 27 I HA . 17045 1 282 . 1 1 27 27 ILE HB H 1 1.863 0.015 . 1 . . . . 27 I HB . 17045 1 283 . 1 1 27 27 ILE HD11 H 1 0.840 0.015 . 1 . . . . 27 I QD1 . 17045 1 284 . 1 1 27 27 ILE HD12 H 1 0.840 0.015 . 1 . . . . 27 I QD1 . 17045 1 285 . 1 1 27 27 ILE HD13 H 1 0.840 0.015 . 1 . . . . 27 I QD1 . 17045 1 286 . 1 1 27 27 ILE HG12 H 1 1.211 0.015 . 1 . . . . 27 I QG1 . 17045 1 287 . 1 1 27 27 ILE HG13 H 1 1.211 0.015 . 1 . . . . 27 I QG1 . 17045 1 288 . 1 1 27 27 ILE HG21 H 1 0.959 0.015 . 1 . . . . 27 I QG2 . 17045 1 289 . 1 1 27 27 ILE HG22 H 1 0.959 0.015 . 1 . . . . 27 I QG2 . 17045 1 290 . 1 1 27 27 ILE HG23 H 1 0.959 0.015 . 1 . . . . 27 I QG2 . 17045 1 291 . 1 1 27 27 ILE C C 13 179.239 0.5 . 1 . . . . 27 I C . 17045 1 292 . 1 1 27 27 ILE CA C 13 64.852 0.5 . 1 . . . . 27 I CA . 17045 1 293 . 1 1 27 27 ILE CB C 13 38.907 0.5 . 1 . . . . 27 I CB . 17045 1 294 . 1 1 27 27 ILE CD1 C 13 13.443 0.5 . 1 . . . . 27 I CD1 . 17045 1 295 . 1 1 27 27 ILE CG1 C 13 29.298 0.5 . 1 . . . . 27 I CG1 . 17045 1 296 . 1 1 27 27 ILE CG2 C 13 16.806 0.5 . 1 . . . . 27 I CG2 . 17045 1 297 . 1 1 27 27 ILE N N 15 120.094 0.12 . 1 . . . . 27 I N . 17045 1 298 . 1 1 28 28 SER H H 1 8.052 0.015 . 1 . . . . 28 S H . 17045 1 299 . 1 1 28 28 SER HA H 1 3.843 0.015 . 1 . . . . 28 S HA . 17045 1 300 . 1 1 28 28 SER HB2 H 1 4.352 0.015 . 1 . . . . 28 S QB . 17045 1 301 . 1 1 28 28 SER HB3 H 1 4.352 0.015 . 1 . . . . 28 S QB . 17045 1 302 . 1 1 28 28 SER C C 13 176.112 0.5 . 1 . . . . 28 S C . 17045 1 303 . 1 1 28 28 SER CA C 13 63.891 0.5 . 1 . . . . 28 S CA . 17045 1 304 . 1 1 28 28 SER CB C 13 64.372 0.5 . 1 . . . . 28 S CB . 17045 1 305 . 1 1 28 28 SER N N 15 118.134 0.12 . 1 . . . . 28 S N . 17045 1 306 . 1 1 29 29 ILE H H 1 9.589 0.015 . 1 . . . . 29 I H . 17045 1 307 . 1 1 29 29 ILE HA H 1 3.785 0.015 . 1 . . . . 29 I HA . 17045 1 308 . 1 1 29 29 ILE HB H 1 2.072 0.015 . 1 . . . . 29 I HB . 17045 1 309 . 1 1 29 29 ILE HD11 H 1 0.933 0.015 . 1 . . . . 29 I QD1 . 17045 1 310 . 1 1 29 29 ILE HD12 H 1 0.933 0.015 . 1 . . . . 29 I QD1 . 17045 1 311 . 1 1 29 29 ILE HD13 H 1 0.933 0.015 . 1 . . . . 29 I QD1 . 17045 1 312 . 1 1 29 29 ILE HG12 H 1 1.158 0.015 . 1 . . . . 29 I QG1 . 17045 1 313 . 1 1 29 29 ILE HG13 H 1 1.158 0.015 . 1 . . . . 29 I QG1 . 17045 1 314 . 1 1 29 29 ILE HG21 H 1 0.695 0.015 . 1 . . . . 29 I QG2 . 17045 1 315 . 1 1 29 29 ILE HG22 H 1 0.695 0.015 . 1 . . . . 29 I QG2 . 17045 1 316 . 1 1 29 29 ILE HG23 H 1 0.695 0.015 . 1 . . . . 29 I QG2 . 17045 1 317 . 1 1 29 29 ILE C C 13 177.863 0.5 . 1 . . . . 29 I C . 17045 1 318 . 1 1 29 29 ILE CA C 13 65.813 0.5 . 1 . . . . 29 I CA . 17045 1 319 . 1 1 29 29 ILE CB C 13 36.505 0.5 . 1 . . . . 29 I CB . 17045 1 320 . 1 1 29 29 ILE CD1 C 13 10.159 0.5 . 1 . . . . 29 I CD1 . 17045 1 321 . 1 1 29 29 ILE CG1 C 13 30.700 0.5 . 1 . . . . 29 I CG1 . 17045 1 322 . 1 1 29 29 ILE CG2 C 13 16.326 0.5 . 1 . . . . 29 I CG2 . 17045 1 323 . 1 1 29 29 ILE N N 15 124.827 0.12 . 1 . . . . 29 I N . 17045 1 324 . 1 1 30 30 GLY H H 1 7.716 0.015 . 1 . . . . 30 G H . 17045 1 325 . 1 1 30 30 GLY HA2 H 1 3.947 0.015 . 1 . . . . 30 G HA2 . 17045 1 326 . 1 1 30 30 GLY HA3 H 1 3.785 0.015 . 1 . . . . 30 G HA3 . 17045 1 327 . 1 1 30 30 GLY C C 13 177.586 0.5 . 1 . . . . 30 G C . 17045 1 328 . 1 1 30 30 GLY CA C 13 47.556 0.5 . 1 . . . . 30 G CA . 17045 1 329 . 1 1 30 30 GLY N N 15 107.287 0.12 . 1 . . . . 30 G N . 17045 1 330 . 1 1 31 31 SER H H 1 7.920 0.015 . 1 . . . . 31 S H . 17045 1 331 . 1 1 31 31 SER HA H 1 4.309 0.015 . 1 . . . . 31 S HA . 17045 1 332 . 1 1 31 31 SER HB2 H 1 4.068 0.015 . 1 . . . . 31 S HB2 . 17045 1 333 . 1 1 31 31 SER HB3 H 1 3.942 0.015 . 1 . . . . 31 S HB3 . 17045 1 334 . 1 1 31 31 SER C C 13 176.562 0.5 . 1 . . . . 31 S C . 17045 1 335 . 1 1 31 31 SER CA C 13 61.489 0.5 . 1 . . . . 31 S CA . 17045 1 336 . 1 1 31 31 SER CB C 13 62.930 0.5 . 1 . . . . 31 S CB . 17045 1 337 . 1 1 31 31 SER N N 15 118.458 0.12 . 1 . . . . 31 S N . 17045 1 338 . 1 1 32 32 LEU H H 1 8.638 0.015 . 1 . . . . 32 L H . 17045 1 339 . 1 1 32 32 LEU HA H 1 3.994 0.015 . 1 . . . . 32 L HA . 17045 1 340 . 1 1 32 32 LEU HB2 H 1 2.214 0.015 . 1 . . . . 32 L HB2 . 17045 1 341 . 1 1 32 32 LEU HB3 H 1 1.605 0.015 . 1 . . . . 32 L HB3 . 17045 1 342 . 1 1 32 32 LEU HD11 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1 343 . 1 1 32 32 LEU HD12 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1 344 . 1 1 32 32 LEU HD13 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1 345 . 1 1 32 32 LEU HD21 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1 346 . 1 1 32 32 LEU HD22 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1 347 . 1 1 32 32 LEU HD23 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1 348 . 1 1 32 32 LEU HG H 1 0.824 0.015 . 1 . . . . 32 L HG . 17045 1 349 . 1 1 32 32 LEU C C 13 177.669 0.5 . 1 . . . . 32 L C . 17045 1 350 . 1 1 32 32 LEU CA C 13 58.126 0.5 . 1 . . . . 32 L CA . 17045 1 351 . 1 1 32 32 LEU CB C 13 42.751 0.5 . 1 . . . . 32 L CB . 17045 1 352 . 1 1 32 32 LEU CD1 C 13 24.974 0.5 . 1 . . . . 32 L CD1 . 17045 1 353 . 1 1 32 32 LEU CD2 C 13 24.974 0.5 . 1 . . . . 32 L CD2 . 17045 1 354 . 1 1 32 32 LEU CG C 13 26.416 0.5 . 1 . . . . 32 L CG . 17045 1 355 . 1 1 32 32 LEU N N 15 125.231 0.12 . 1 . . . . 32 L N . 17045 1 356 . 1 1 33 33 ARG H H 1 8.820 0.015 . 1 . . . . 33 R H . 17045 1 357 . 1 1 33 33 ARG HA H 1 4.294 0.015 . 1 . . . . 33 R HA . 17045 1 358 . 1 1 33 33 ARG HB2 H 1 1.858 0.015 . 1 . . . . 33 R QB . 17045 1 359 . 1 1 33 33 ARG HB3 H 1 1.858 0.015 . 1 . . . . 33 R QB . 17045 1 360 . 1 1 33 33 ARG HD2 H 1 3.007 0.015 . 1 . . . . 33 R QD . 17045 1 361 . 1 1 33 33 ARG HD3 H 1 3.007 0.015 . 1 . . . . 33 R QD . 17045 1 362 . 1 1 33 33 ARG HG2 H 1 1.510 0.015 . 1 . . . . 33 R QG . 17045 1 363 . 1 1 33 33 ARG HG3 H 1 1.510 0.015 . 1 . . . . 33 R QG . 17045 1 364 . 1 1 33 33 ARG C C 13 180.392 0.5 . 1 . . . . 33 R C . 17045 1 365 . 1 1 33 33 ARG CA C 13 59.567 0.5 . 1 . . . . 33 R CA . 17045 1 366 . 1 1 33 33 ARG CB C 13 30.259 0.5 . 1 . . . . 33 R CB . 17045 1 367 . 1 1 33 33 ARG CD C 13 43.232 0.5 . 1 . . . . 33 R CD . 17045 1 368 . 1 1 33 33 ARG CG C 13 27.376 0.5 . 1 . . . . 33 R CG . 17045 1 369 . 1 1 33 33 ARG N N 15 119.467 0.12 . 1 . . . . 33 R N . 17045 1 370 . 1 1 34 34 GLY H H 1 7.599 0.015 . 1 . . . . 34 G H . 17045 1 371 . 1 1 34 34 GLY HA2 H 1 3.944 0.015 . 1 . . . . 34 G QA . 17045 1 372 . 1 1 34 34 GLY HA3 H 1 3.944 0.015 . 1 . . . . 34 G QA . 17045 1 373 . 1 1 34 34 GLY C C 13 176.165 0.5 . 1 . . . . 34 G C . 17045 1 374 . 1 1 34 34 GLY CA C 13 46.595 0.5 . 1 . . . . 34 G CA . 17045 1 375 . 1 1 34 34 GLY N N 15 105.876 0.12 . 1 . . . . 34 G N . 17045 1 376 . 1 1 35 35 LEU H H 1 7.903 0.015 . 1 . . . . 35 L H . 17045 1 377 . 1 1 35 35 LEU HA H 1 4.113 0.015 . 1 . . . . 35 L HA . 17045 1 378 . 1 1 35 35 LEU HB2 H 1 1.314 0.015 . 1 . . . . 35 L QB . 17045 1 379 . 1 1 35 35 LEU HB3 H 1 1.314 0.015 . 1 . . . . 35 L QB . 17045 1 380 . 1 1 35 35 LEU HD11 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1 381 . 1 1 35 35 LEU HD12 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1 382 . 1 1 35 35 LEU HD13 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1 383 . 1 1 35 35 LEU HD21 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1 384 . 1 1 35 35 LEU HD22 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1 385 . 1 1 35 35 LEU HD23 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1 386 . 1 1 35 35 LEU HG H 1 0.804 0.015 . 1 . . . . 35 L HG . 17045 1 387 . 1 1 35 35 LEU C C 13 179.460 0.5 . 1 . . . . 35 L C . 17045 1 388 . 1 1 35 35 LEU CA C 13 58.126 0.5 . 1 . . . . 35 L CA . 17045 1 389 . 1 1 35 35 LEU CB C 13 42.751 0.5 . 1 . . . . 35 L CB . 17045 1 390 . 1 1 35 35 LEU CD1 C 13 23.052 0.5 . 1 . . . . 35 L CD1 . 17045 1 391 . 1 1 35 35 LEU CD2 C 13 23.052 0.5 . 1 . . . . 35 L CD2 . 17045 1 392 . 1 1 35 35 LEU CG C 13 26.896 0.5 . 1 . . . . 35 L CG . 17045 1 393 . 1 1 35 35 LEU N N 15 121.765 0.12 . 1 . . . . 35 L N . 17045 1 394 . 1 1 36 36 ARG H H 1 8.440 0.015 . 1 . . . . 36 R H . 17045 1 395 . 1 1 36 36 ARG HA H 1 4.017 0.015 . 1 . . . . 36 R HA . 17045 1 396 . 1 1 36 36 ARG HB2 H 1 1.855 0.015 . 1 . . . . 36 R QB . 17045 1 397 . 1 1 36 36 ARG HB3 H 1 1.855 0.015 . 1 . . . . 36 R QB . 17045 1 398 . 1 1 36 36 ARG HD2 H 1 2.944 0.015 . 1 . . . . 36 R QD . 17045 1 399 . 1 1 36 36 ARG HD3 H 1 2.944 0.015 . 1 . . . . 36 R QD . 17045 1 400 . 1 1 36 36 ARG HG2 H 1 1.566 0.015 . 1 . . . . 36 R QG . 17045 1 401 . 1 1 36 36 ARG HG3 H 1 1.566 0.015 . 1 . . . . 36 R QG . 17045 1 402 . 1 1 36 36 ARG C C 13 178.160 0.5 . 1 . . . . 36 R C . 17045 1 403 . 1 1 36 36 ARG CA C 13 59.567 0.5 . 1 . . . . 36 R CA . 17045 1 404 . 1 1 36 36 ARG CB C 13 31.220 0.5 . 1 . . . . 36 R CB . 17045 1 405 . 1 1 36 36 ARG CD C 13 42.751 0.5 . 1 . . . . 36 R CD . 17045 1 406 . 1 1 36 36 ARG CG C 13 28.818 0.5 . 1 . . . . 36 R CG . 17045 1 407 . 1 1 36 36 ARG N N 15 116.481 0.12 . 1 . . . . 36 R N . 17045 1 408 . 1 1 37 37 THR H H 1 7.517 0.015 . 1 . . . . 37 T H . 17045 1 409 . 1 1 37 37 THR HA H 1 4.327 0.015 . 1 . . . . 37 T HA . 17045 1 410 . 1 1 37 37 THR HB H 1 4.327 0.015 . 1 . . . . 37 T HB . 17045 1 411 . 1 1 37 37 THR HG21 H 1 1.290 0.015 . 1 . . . . 37 T QG2 . 17045 1 412 . 1 1 37 37 THR HG22 H 1 1.290 0.015 . 1 . . . . 37 T QG2 . 17045 1 413 . 1 1 37 37 THR HG23 H 1 1.290 0.015 . 1 . . . . 37 T QG2 . 17045 1 414 . 1 1 37 37 THR C C 13 175.257 0.5 . 1 . . . . 37 T C . 17045 1 415 . 1 1 37 37 THR CA C 13 63.411 0.5 . 1 . . . . 37 T CA . 17045 1 416 . 1 1 37 37 THR CB C 13 70.137 0.5 . 1 . . . . 37 T CB . 17045 1 417 . 1 1 37 37 THR CG2 C 13 21.611 0.5 . 1 . . . . 37 T CG2 . 17045 1 418 . 1 1 37 37 THR N N 15 109.264 0.12 . 1 . . . . 37 T N . 17045 1 419 . 1 1 38 38 LYS H H 1 7.520 0.015 . 1 . . . . 38 K H . 17045 1 420 . 1 1 38 38 LYS HA H 1 4.362 0.015 . 1 . . . . 38 K HA . 17045 1 421 . 1 1 38 38 LYS HB2 H 1 1.914 0.015 . 1 . . . . 38 K QB . 17045 1 422 . 1 1 38 38 LYS HB3 H 1 1.914 0.015 . 1 . . . . 38 K QB . 17045 1 423 . 1 1 38 38 LYS HD2 H 1 1.545 0.015 . 1 . . . . 38 K QD . 17045 1 424 . 1 1 38 38 LYS HD3 H 1 1.545 0.015 . 1 . . . . 38 K QD . 17045 1 425 . 1 1 38 38 LYS HE2 H 1 2.943 0.015 . 1 . . . . 38 K QE . 17045 1 426 . 1 1 38 38 LYS HE3 H 1 2.943 0.015 . 1 . . . . 38 K QE . 17045 1 427 . 1 1 38 38 LYS HG2 H 1 1.539 0.015 . 1 . . . . 38 K HG2 . 17045 1 428 . 1 1 38 38 LYS HG3 H 1 1.483 0.015 . 1 . . . . 38 K HG3 . 17045 1 429 . 1 1 38 38 LYS CA C 13 57.165 0.5 . 1 . . . . 38 K CA . 17045 1 430 . 1 1 38 38 LYS CB C 13 33.142 0.5 . 1 . . . . 38 K CB . 17045 1 431 . 1 1 38 38 LYS CD C 13 24.974 0.5 . 1 . . . . 38 K CD . 17045 1 432 . 1 1 38 38 LYS CE C 13 41.790 0.5 . 1 . . . . 38 K CE . 17045 1 433 . 1 1 38 38 LYS CG C 13 24.974 0.5 . 1 . . . . 38 K CG . 17045 1 434 . 1 1 38 38 LYS N N 15 121.551 0.12 . 1 . . . . 38 K N . 17045 1 435 . 1 1 39 39 CYS HA H 1 4.489 0.015 . 1 . . . . 39 C HA . 17045 1 436 . 1 1 39 39 CYS HB2 H 1 2.967 0.015 . 1 . . . . 39 C QB . 17045 1 437 . 1 1 39 39 CYS HB3 H 1 2.967 0.015 . 1 . . . . 39 C QB . 17045 1 438 . 1 1 39 39 CYS C C 13 174.670 0.5 . 1 . . . . 39 C C . 17045 1 439 . 1 1 39 39 CYS CA C 13 59.087 0.5 . 1 . . . . 39 C CA . 17045 1 440 . 1 1 39 39 CYS CB C 13 27.857 0.5 . 1 . . . . 39 C CB . 17045 1 441 . 1 1 40 40 SER H H 1 8.355 0.015 . 1 . . . . 40 S H . 17045 1 442 . 1 1 40 40 SER HA H 1 4.525 0.015 . 1 . . . . 40 S HA . 17045 1 443 . 1 1 40 40 SER HB2 H 1 3.977 0.015 . 1 . . . . 40 S HB2 . 17045 1 444 . 1 1 40 40 SER HB3 H 1 3.839 0.015 . 1 . . . . 40 S HB3 . 17045 1 445 . 1 1 40 40 SER C C 13 174.835 0.5 . 1 . . . . 40 S C . 17045 1 446 . 1 1 40 40 SER CA C 13 58.126 0.5 . 1 . . . . 40 S CA . 17045 1 447 . 1 1 40 40 SER CB C 13 63.891 0.5 . 1 . . . . 40 S CB . 17045 1 448 . 1 1 40 40 SER N N 15 118.473 0.12 . 1 . . . . 40 S N . 17045 1 449 . 1 1 41 41 VAL H H 1 8.044 0.015 . 1 . . . . 41 V H . 17045 1 450 . 1 1 41 41 VAL HA H 1 4.136 0.015 . 1 . . . . 41 V HA . 17045 1 451 . 1 1 41 41 VAL HB H 1 2.148 0.015 . 1 . . . . 41 V HB . 17045 1 452 . 1 1 41 41 VAL HG11 H 1 0.929 0.015 . 2 . . . . 41 V QG1 . 17045 1 453 . 1 1 41 41 VAL HG12 H 1 0.929 0.015 . 2 . . . . 41 V QG1 . 17045 1 454 . 1 1 41 41 VAL HG13 H 1 0.929 0.015 . 2 . . . . 41 V QG1 . 17045 1 455 . 1 1 41 41 VAL HG21 H 1 0.925 0.015 . 2 . . . . 41 V QG2 . 17045 1 456 . 1 1 41 41 VAL HG22 H 1 0.925 0.015 . 2 . . . . 41 V QG2 . 17045 1 457 . 1 1 41 41 VAL HG23 H 1 0.925 0.015 . 2 . . . . 41 V QG2 . 17045 1 458 . 1 1 41 41 VAL C C 13 175.803 0.5 . 1 . . . . 41 V C . 17045 1 459 . 1 1 41 41 VAL CA C 13 62.450 0.5 . 1 . . . . 41 V CA . 17045 1 460 . 1 1 41 41 VAL CB C 13 32.662 0.5 . 1 . . . . 41 V CB . 17045 1 461 . 1 1 41 41 VAL CG1 C 13 21.131 0.5 . 1 . . . . 41 V CG1 . 17045 1 462 . 1 1 41 41 VAL CG2 C 13 20.170 0.5 . 1 . . . . 41 V CG2 . 17045 1 463 . 1 1 41 41 VAL N N 15 120.532 0.12 . 1 . . . . 41 V N . 17045 1 464 . 1 1 42 42 SER H H 1 8.134 0.015 . 1 . . . . 42 S H . 17045 1 465 . 1 1 42 42 SER HA H 1 4.398 0.015 . 1 . . . . 42 S HA . 17045 1 466 . 1 1 42 42 SER HB2 H 1 3.835 0.015 . 1 . . . . 42 S QB . 17045 1 467 . 1 1 42 42 SER HB3 H 1 3.835 0.015 . 1 . . . . 42 S QB . 17045 1 468 . 1 1 42 42 SER C C 13 174.394 0.5 . 1 . . . . 42 S C . 17045 1 469 . 1 1 42 42 SER CA C 13 58.126 0.5 . 1 . . . . 42 S CA . 17045 1 470 . 1 1 42 42 SER CB C 13 63.411 0.5 . 1 . . . . 42 S CB . 17045 1 471 . 1 1 42 42 SER N N 15 116.755 0.12 . 1 . . . . 42 S N . 17045 1 472 . 1 1 43 43 ASN H H 1 8.172 0.015 . 1 . . . . 43 N H . 17045 1 473 . 1 1 43 43 ASN HA H 1 4.686 0.015 . 1 . . . . 43 N HA . 17045 1 474 . 1 1 43 43 ASN HB2 H 1 2.957 0.015 . 1 . . . . 43 N HB2 . 17045 1 475 . 1 1 43 43 ASN HB3 H 1 2.875 0.015 . 1 . . . . 43 N HB3 . 17045 1 476 . 1 1 43 43 ASN HD21 H 1 7.595 0.015 . 1 . . . . 43 N HD21 . 17045 1 477 . 1 1 43 43 ASN HD22 H 1 6.890 0.015 . 1 . . . . 43 N HD22 . 17045 1 478 . 1 1 43 43 ASN CA C 13 53.321 0.5 . 1 . . . . 43 N CA . 17045 1 479 . 1 1 43 43 ASN CB C 13 38.907 0.5 . 1 . . . . 43 N CB . 17045 1 480 . 1 1 43 43 ASN N N 15 120.964 0.12 . 1 . . . . 43 N N . 17045 1 481 . 1 1 43 43 ASN ND2 N 15 113.076 0.12 . 1 . . . . 43 N ND2 . 17045 1 482 . 1 1 44 44 ASP H H 1 8.463 0.015 . 1 . . . . 44 D H . 17045 1 483 . 1 1 44 44 ASP HA H 1 4.380 0.015 . 1 . . . . 44 D HA . 17045 1 484 . 1 1 44 44 ASP HB2 H 1 2.720 0.015 . 1 . . . . 44 D HB2 . 17045 1 485 . 1 1 44 44 ASP HB3 H 1 2.665 0.015 . 1 . . . . 44 D HB3 . 17045 1 486 . 1 1 44 44 ASP C C 13 177.906 0.5 . 1 . . . . 44 D C . 17045 1 487 . 1 1 44 44 ASP CA C 13 56.204 0.5 . 1 . . . . 44 D CA . 17045 1 488 . 1 1 44 44 ASP CB C 13 40.829 0.5 . 1 . . . . 44 D CB . 17045 1 489 . 1 1 44 44 ASP N N 15 121.638 0.12 . 1 . . . . 44 D N . 17045 1 490 . 1 1 45 45 LEU H H 1 8.077 0.015 . 1 . . . . 45 L H . 17045 1 491 . 1 1 45 45 LEU HA H 1 4.155 0.015 . 1 . . . . 45 L HA . 17045 1 492 . 1 1 45 45 LEU HB2 H 1 1.762 0.015 . 1 . . . . 45 L HB2 . 17045 1 493 . 1 1 45 45 LEU HB3 H 1 1.628 0.015 . 1 . . . . 45 L HB3 . 17045 1 494 . 1 1 45 45 LEU HD11 H 1 0.926 0.015 . 2 . . . . 45 L QD1 . 17045 1 495 . 1 1 45 45 LEU HD12 H 1 0.926 0.015 . 2 . . . . 45 L QD1 . 17045 1 496 . 1 1 45 45 LEU HD13 H 1 0.926 0.015 . 2 . . . . 45 L QD1 . 17045 1 497 . 1 1 45 45 LEU HD21 H 1 0.863 0.015 . 2 . . . . 45 L QD2 . 17045 1 498 . 1 1 45 45 LEU HD22 H 1 0.863 0.015 . 2 . . . . 45 L QD2 . 17045 1 499 . 1 1 45 45 LEU HD23 H 1 0.863 0.015 . 2 . . . . 45 L QD2 . 17045 1 500 . 1 1 45 45 LEU HG H 1 1.663 0.015 . 1 . . . . 45 L HG . 17045 1 501 . 1 1 45 45 LEU C C 13 179.709 0.5 . 1 . . . . 45 L C . 17045 1 502 . 1 1 45 45 LEU CA C 13 58.126 0.5 . 1 . . . . 45 L CA . 17045 1 503 . 1 1 45 45 LEU CB C 13 41.310 0.5 . 1 . . . . 45 L CB . 17045 1 504 . 1 1 45 45 LEU CD1 C 13 24.974 0.5 . 1 . . . . 45 L CD1 . 17045 1 505 . 1 1 45 45 LEU CD2 C 13 24.013 0.5 . 1 . . . . 45 L CD2 . 17045 1 506 . 1 1 45 45 LEU CG C 13 26.896 0.5 . 1 . . . . 45 L CG . 17045 1 507 . 1 1 45 45 LEU N N 15 120.159 0.12 . 1 . . . . 45 L N . 17045 1 508 . 1 1 46 46 THR H H 1 7.930 0.015 . 1 . . . . 46 T H . 17045 1 509 . 1 1 46 46 THR HA H 1 3.952 0.015 . 1 . . . . 46 T HA . 17045 1 510 . 1 1 46 46 THR HB H 1 4.275 0.015 . 1 . . . . 46 T HB . 17045 1 511 . 1 1 46 46 THR HG21 H 1 1.225 0.015 . 1 . . . . 46 T QG2 . 17045 1 512 . 1 1 46 46 THR HG22 H 1 1.225 0.015 . 1 . . . . 46 T QG2 . 17045 1 513 . 1 1 46 46 THR HG23 H 1 1.225 0.015 . 1 . . . . 46 T QG2 . 17045 1 514 . 1 1 46 46 THR C C 13 176.344 0.5 . 1 . . . . 46 T C . 17045 1 515 . 1 1 46 46 THR CA C 13 65.813 0.5 . 1 . . . . 46 T CA . 17045 1 516 . 1 1 46 46 THR CB C 13 68.696 0.5 . 1 . . . . 46 T CB . 17045 1 517 . 1 1 46 46 THR CG2 C 13 23.052 0.5 . 1 . . . . 46 T CG2 . 17045 1 518 . 1 1 46 46 THR N N 15 116.513 0.12 . 1 . . . . 46 T N . 17045 1 519 . 1 1 47 47 GLN H H 1 8.182 0.015 . 1 . . . . 47 Q H . 17045 1 520 . 1 1 47 47 GLN HA H 1 3.936 0.015 . 1 . . . . 47 Q HA . 17045 1 521 . 1 1 47 47 GLN HB2 H 1 2.133 0.015 . 1 . . . . 47 Q QB . 17045 1 522 . 1 1 47 47 GLN HB3 H 1 2.133 0.015 . 1 . . . . 47 Q QB . 17045 1 523 . 1 1 47 47 GLN HE21 H 1 7.351 0.015 . 1 . . . . 47 Q HE21 . 17045 1 524 . 1 1 47 47 GLN HE22 H 1 6.775 0.015 . 1 . . . . 47 Q HE22 . 17045 1 525 . 1 1 47 47 GLN HG2 H 1 2.401 0.015 . 1 . . . . 47 Q QG . 17045 1 526 . 1 1 47 47 GLN HG3 H 1 2.401 0.015 . 1 . . . . 47 Q QG . 17045 1 527 . 1 1 47 47 GLN C C 13 178.652 0.5 . 1 . . . . 47 Q C . 17045 1 528 . 1 1 47 47 GLN CA C 13 59.087 0.5 . 1 . . . . 47 Q CA . 17045 1 529 . 1 1 47 47 GLN CB C 13 27.857 0.5 . 1 . . . . 47 Q CB . 17045 1 530 . 1 1 47 47 GLN CG C 13 34.103 0.5 . 1 . . . . 47 Q CG . 17045 1 531 . 1 1 47 47 GLN N N 15 119.638 0.12 . 1 . . . . 47 Q N . 17045 1 532 . 1 1 47 47 GLN NE2 N 15 112.455 0.12 . 1 . . . . 47 Q NE2 . 17045 1 533 . 1 1 48 48 GLN H H 1 8.028 0.015 . 1 . . . . 48 Q H . 17045 1 534 . 1 1 48 48 GLN HA H 1 4.014 0.015 . 1 . . . . 48 Q HA . 17045 1 535 . 1 1 48 48 GLN HB2 H 1 2.178 0.015 . 1 . . . . 48 Q QB . 17045 1 536 . 1 1 48 48 GLN HB3 H 1 2.178 0.015 . 1 . . . . 48 Q QB . 17045 1 537 . 1 1 48 48 GLN HE21 H 1 7.353 0.015 . 1 . . . . 48 Q HE21 . 17045 1 538 . 1 1 48 48 GLN HE22 H 1 6.775 0.015 . 1 . . . . 48 Q HE22 . 17045 1 539 . 1 1 48 48 GLN HG2 H 1 2.392 0.015 . 1 . . . . 48 Q QG . 17045 1 540 . 1 1 48 48 GLN HG3 H 1 2.392 0.015 . 1 . . . . 48 Q QG . 17045 1 541 . 1 1 48 48 GLN C C 13 178.564 0.5 . 1 . . . . 48 Q C . 17045 1 542 . 1 1 48 48 GLN CA C 13 59.087 0.5 . 1 . . . . 48 Q CA . 17045 1 543 . 1 1 48 48 GLN CB C 13 28.337 0.5 . 1 . . . . 48 Q CB . 17045 1 544 . 1 1 48 48 GLN CG C 13 33.622 0.5 . 1 . . . . 48 Q CG . 17045 1 545 . 1 1 48 48 GLN N N 15 119.127 0.12 . 1 . . . . 48 Q N . 17045 1 546 . 1 1 48 48 GLN NE2 N 15 112.248 0.12 . 1 . . . . 48 Q NE2 . 17045 1 547 . 1 1 49 49 GLU H H 1 8.048 0.015 . 1 . . . . 49 E H . 17045 1 548 . 1 1 49 49 GLU HA H 1 4.038 0.015 . 1 . . . . 49 E HA . 17045 1 549 . 1 1 49 49 GLU HB2 H 1 2.189 0.015 . 1 . . . . 49 E QB . 17045 1 550 . 1 1 49 49 GLU HB3 H 1 2.189 0.015 . 1 . . . . 49 E QB . 17045 1 551 . 1 1 49 49 GLU HG2 H 1 2.393 0.015 . 1 . . . . 49 E QG . 17045 1 552 . 1 1 49 49 GLU HG3 H 1 2.393 0.015 . 1 . . . . 49 E QG . 17045 1 553 . 1 1 49 49 GLU C C 13 179.677 0.5 . 1 . . . . 49 E C . 17045 1 554 . 1 1 49 49 GLU CA C 13 59.567 0.5 . 1 . . . . 49 E CA . 17045 1 555 . 1 1 49 49 GLU CB C 13 29.298 0.5 . 1 . . . . 49 E CB . 17045 1 556 . 1 1 49 49 GLU CG C 13 36.505 0.5 . 1 . . . . 49 E CG . 17045 1 557 . 1 1 49 49 GLU N N 15 121.821 0.12 . 1 . . . . 49 E N . 17045 1 558 . 1 1 50 50 ILE H H 1 8.254 0.015 . 1 . . . . 50 I H . 17045 1 559 . 1 1 50 50 ILE HA H 1 3.420 0.015 . 1 . . . . 50 I HA . 17045 1 560 . 1 1 50 50 ILE HB H 1 1.860 0.015 . 1 . . . . 50 I HB . 17045 1 561 . 1 1 50 50 ILE HD11 H 1 0.715 0.015 . 1 . . . . 50 I QD1 . 17045 1 562 . 1 1 50 50 ILE HD12 H 1 0.715 0.015 . 1 . . . . 50 I QD1 . 17045 1 563 . 1 1 50 50 ILE HD13 H 1 0.715 0.015 . 1 . . . . 50 I QD1 . 17045 1 564 . 1 1 50 50 ILE HG12 H 1 0.692 0.015 . 1 . . . . 50 I QG1 . 17045 1 565 . 1 1 50 50 ILE HG13 H 1 0.692 0.015 . 1 . . . . 50 I QG1 . 17045 1 566 . 1 1 50 50 ILE HG21 H 1 0.779 0.015 . 1 . . . . 50 I QG2 . 17045 1 567 . 1 1 50 50 ILE HG22 H 1 0.779 0.015 . 1 . . . . 50 I QG2 . 17045 1 568 . 1 1 50 50 ILE HG23 H 1 0.779 0.015 . 1 . . . . 50 I QG2 . 17045 1 569 . 1 1 50 50 ILE C C 13 177.210 0.5 . 1 . . . . 50 I C . 17045 1 570 . 1 1 50 50 ILE CA C 13 66.294 0.5 . 1 . . . . 50 I CA . 17045 1 571 . 1 1 50 50 ILE CB C 13 37.947 0.5 . 1 . . . . 50 I CB . 17045 1 572 . 1 1 50 50 ILE CD1 C 13 13.443 0.5 . 1 . . . . 50 I CD1 . 17045 1 573 . 1 1 50 50 ILE CG1 C 13 31.701 0.5 . 1 . . . . 50 I CG1 . 17045 1 574 . 1 1 50 50 ILE CG2 C 13 16.806 0.5 . 1 . . . . 50 I CG2 . 17045 1 575 . 1 1 50 50 ILE N N 15 120.603 0.12 . 1 . . . . 50 I N . 17045 1 576 . 1 1 51 51 ARG H H 1 7.923 0.015 . 1 . . . . 51 R H . 17045 1 577 . 1 1 51 51 ARG HA H 1 4.106 0.015 . 1 . . . . 51 R HA . 17045 1 578 . 1 1 51 51 ARG HB2 H 1 1.941 0.015 . 1 . . . . 51 R HB2 . 17045 1 579 . 1 1 51 51 ARG HB3 H 1 1.849 0.015 . 1 . . . . 51 R HB3 . 17045 1 580 . 1 1 51 51 ARG HD2 H 1 3.174 0.015 . 1 . . . . 51 R QD . 17045 1 581 . 1 1 51 51 ARG HD3 H 1 3.174 0.015 . 1 . . . . 51 R QD . 17045 1 582 . 1 1 51 51 ARG HG2 H 1 1.706 0.015 . 1 . . . . 51 R QG . 17045 1 583 . 1 1 51 51 ARG HG3 H 1 1.706 0.015 . 1 . . . . 51 R QG . 17045 1 584 . 1 1 51 51 ARG C C 13 180.280 0.5 . 1 . . . . 51 R C . 17045 1 585 . 1 1 51 51 ARG CA C 13 59.567 0.5 . 1 . . . . 51 R CA . 17045 1 586 . 1 1 51 51 ARG CB C 13 29.779 0.5 . 1 . . . . 51 R CB . 17045 1 587 . 1 1 51 51 ARG CD C 13 43.712 0.5 . 1 . . . . 51 R CD . 17045 1 588 . 1 1 51 51 ARG CG C 13 27.857 0.5 . 1 . . . . 51 R CG . 17045 1 589 . 1 1 51 51 ARG N N 15 118.440 0.12 . 1 . . . . 51 R N . 17045 1 590 . 1 1 52 52 THR H H 1 8.177 0.015 . 1 . . . . 52 T H . 17045 1 591 . 1 1 52 52 THR HA H 1 3.930 0.015 . 1 . . . . 52 T HA . 17045 1 592 . 1 1 52 52 THR HB H 1 4.280 0.015 . 1 . . . . 52 T HB . 17045 1 593 . 1 1 52 52 THR HG21 H 1 1.230 0.015 . 1 . . . . 52 T QG2 . 17045 1 594 . 1 1 52 52 THR HG22 H 1 1.230 0.015 . 1 . . . . 52 T QG2 . 17045 1 595 . 1 1 52 52 THR HG23 H 1 1.230 0.015 . 1 . . . . 52 T QG2 . 17045 1 596 . 1 1 52 52 THR C C 13 176.655 0.5 . 1 . . . . 52 T C . 17045 1 597 . 1 1 52 52 THR CA C 13 66.294 0.5 . 1 . . . . 52 T CA . 17045 1 598 . 1 1 52 52 THR CB C 13 68.696 0.5 . 1 . . . . 52 T CB . 17045 1 599 . 1 1 52 52 THR CG2 C 13 22.091 0.5 . 1 . . . . 52 T CG2 . 17045 1 600 . 1 1 52 52 THR N N 15 117.193 0.12 . 1 . . . . 52 T N . 17045 1 601 . 1 1 53 53 LEU H H 1 7.978 0.015 . 1 . . . . 53 L H . 17045 1 602 . 1 1 53 53 LEU HA H 1 4.042 0.015 . 1 . . . . 53 L HA . 17045 1 603 . 1 1 53 53 LEU HB2 H 1 1.938 0.015 . 1 . . . . 53 L HB2 . 17045 1 604 . 1 1 53 53 LEU HB3 H 1 1.472 0.015 . 1 . . . . 53 L HB3 . 17045 1 605 . 1 1 53 53 LEU HD11 H 1 0.975 0.015 . 2 . . . . 53 L QD1 . 17045 1 606 . 1 1 53 53 LEU HD12 H 1 0.975 0.015 . 2 . . . . 53 L QD1 . 17045 1 607 . 1 1 53 53 LEU HD13 H 1 0.975 0.015 . 2 . . . . 53 L QD1 . 17045 1 608 . 1 1 53 53 LEU HD21 H 1 0.961 0.015 . 2 . . . . 53 L QD2 . 17045 1 609 . 1 1 53 53 LEU HD22 H 1 0.961 0.015 . 2 . . . . 53 L QD2 . 17045 1 610 . 1 1 53 53 LEU HD23 H 1 0.961 0.015 . 2 . . . . 53 L QD2 . 17045 1 611 . 1 1 53 53 LEU HG H 1 1.724 0.015 . 1 . . . . 53 L HG . 17045 1 612 . 1 1 53 53 LEU C C 13 178.979 0.5 . 1 . . . . 53 L C . 17045 1 613 . 1 1 53 53 LEU CA C 13 58.126 0.5 . 1 . . . . 53 L CA . 17045 1 614 . 1 1 53 53 LEU CB C 13 42.751 0.5 . 1 . . . . 53 L CB . 17045 1 615 . 1 1 53 53 LEU CD1 C 13 25.455 0.5 . 1 . . . . 53 L CD1 . 17045 1 616 . 1 1 53 53 LEU CD2 C 13 24.013 0.5 . 1 . . . . 53 L CD2 . 17045 1 617 . 1 1 53 53 LEU CG C 13 27.376 0.5 . 1 . . . . 53 L CG . 17045 1 618 . 1 1 53 53 LEU N N 15 124.403 0.12 . 1 . . . . 53 L N . 17045 1 619 . 1 1 54 54 GLU H H 1 8.802 0.015 . 1 . . . . 54 E H . 17045 1 620 . 1 1 54 54 GLU HA H 1 3.592 0.015 . 1 . . . . 54 E HA . 17045 1 621 . 1 1 54 54 GLU HB2 H 1 2.126 0.015 . 1 . . . . 54 E HB2 . 17045 1 622 . 1 1 54 54 GLU HB3 H 1 1.650 0.015 . 1 . . . . 54 E HB3 . 17045 1 623 . 1 1 54 54 GLU HG2 H 1 2.475 0.015 . 1 . . . . 54 E HG2 . 17045 1 624 . 1 1 54 54 GLU HG3 H 1 1.868 0.015 . 1 . . . . 54 E HG3 . 17045 1 625 . 1 1 54 54 GLU C C 13 177.955 0.5 . 1 . . . . 54 E C . 17045 1 626 . 1 1 54 54 GLU CA C 13 60.528 0.5 . 1 . . . . 54 E CA . 17045 1 627 . 1 1 54 54 GLU CB C 13 29.298 0.5 . 1 . . . . 54 E CB . 17045 1 628 . 1 1 54 54 GLU CG C 13 37.947 0.5 . 1 . . . . 54 E CG . 17045 1 629 . 1 1 54 54 GLU N N 15 118.905 0.12 . 1 . . . . 54 E N . 17045 1 630 . 1 1 55 55 ALA H H 1 7.625 0.015 . 1 . . . . 55 A H . 17045 1 631 . 1 1 55 55 ALA HA H 1 4.027 0.015 . 1 . . . . 55 A HA . 17045 1 632 . 1 1 55 55 ALA HB1 H 1 1.452 0.015 . 1 . . . . 55 A QB . 17045 1 633 . 1 1 55 55 ALA HB2 H 1 1.452 0.015 . 1 . . . . 55 A QB . 17045 1 634 . 1 1 55 55 ALA HB3 H 1 1.452 0.015 . 1 . . . . 55 A QB . 17045 1 635 . 1 1 55 55 ALA C C 13 181.054 0.5 . 1 . . . . 55 A C . 17045 1 636 . 1 1 55 55 ALA CA C 13 55.243 0.5 . 1 . . . . 55 A CA . 17045 1 637 . 1 1 55 55 ALA CB C 13 17.767 0.5 . 1 . . . . 55 A CB . 17045 1 638 . 1 1 55 55 ALA N N 15 118.661 0.12 . 1 . . . . 55 A N . 17045 1 639 . 1 1 56 56 LYS H H 1 7.694 0.015 . 1 . . . . 56 K H . 17045 1 640 . 1 1 56 56 LYS HA H 1 3.643 0.015 . 1 . . . . 56 K HA . 17045 1 641 . 1 1 56 56 LYS HB2 H 1 1.816 0.015 . 1 . . . . 56 K HB2 . 17045 1 642 . 1 1 56 56 LYS HB3 H 1 1.657 0.015 . 1 . . . . 56 K HB3 . 17045 1 643 . 1 1 56 56 LYS HD2 H 1 1.637 0.015 . 1 . . . . 56 K QD . 17045 1 644 . 1 1 56 56 LYS HD3 H 1 1.637 0.015 . 1 . . . . 56 K QD . 17045 1 645 . 1 1 56 56 LYS HE2 H 1 2.894 0.015 . 1 . . . . 56 K QE . 17045 1 646 . 1 1 56 56 LYS HE3 H 1 2.894 0.015 . 1 . . . . 56 K QE . 17045 1 647 . 1 1 56 56 LYS HG2 H 1 1.385 0.015 . 1 . . . . 56 K HG2 . 17045 1 648 . 1 1 56 56 LYS HG3 H 1 1.155 0.015 . 1 . . . . 56 K HG3 . 17045 1 649 . 1 1 56 56 LYS C C 13 177.598 0.5 . 1 . . . . 56 K C . 17045 1 650 . 1 1 56 56 LYS CA C 13 59.567 0.5 . 1 . . . . 56 K CA . 17045 1 651 . 1 1 56 56 LYS CB C 13 32.181 0.5 . 1 . . . . 56 K CB . 17045 1 652 . 1 1 56 56 LYS CD C 13 29.779 0.5 . 1 . . . . 56 K CD . 17045 1 653 . 1 1 56 56 LYS CE C 13 41.790 0.5 . 1 . . . . 56 K CE . 17045 1 654 . 1 1 56 56 LYS CG C 13 24.494 0.5 . 1 . . . . 56 K CG . 17045 1 655 . 1 1 56 56 LYS N N 15 120.498 0.12 . 1 . . . . 56 K N . 17045 1 656 . 1 1 57 57 LEU H H 1 8.180 0.015 . 1 . . . . 57 L H . 17045 1 657 . 1 1 57 57 LEU HA H 1 3.893 0.015 . 1 . . . . 57 L HA . 17045 1 658 . 1 1 57 57 LEU HB2 H 1 2.100 0.015 . 1 . . . . 57 L HB2 . 17045 1 659 . 1 1 57 57 LEU HB3 H 1 1.316 0.015 . 1 . . . . 57 L HB3 . 17045 1 660 . 1 1 57 57 LEU HD11 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1 661 . 1 1 57 57 LEU HD12 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1 662 . 1 1 57 57 LEU HD13 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1 663 . 1 1 57 57 LEU HD21 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1 664 . 1 1 57 57 LEU HD22 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1 665 . 1 1 57 57 LEU HD23 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1 666 . 1 1 57 57 LEU HG H 1 1.230 0.015 . 1 . . . . 57 L HG . 17045 1 667 . 1 1 57 57 LEU C C 13 178.751 0.5 . 1 . . . . 57 L C . 17045 1 668 . 1 1 57 57 LEU CA C 13 59.087 0.5 . 1 . . . . 57 L CA . 17045 1 669 . 1 1 57 57 LEU CB C 13 42.271 0.5 . 1 . . . . 57 L CB . 17045 1 670 . 1 1 57 57 LEU CD1 C 13 26.896 0.5 . 1 . . . . 57 L CD1 . 17045 1 671 . 1 1 57 57 LEU CD2 C 13 26.896 0.5 . 1 . . . . 57 L CD2 . 17045 1 672 . 1 1 57 57 LEU CG C 13 26.896 0.5 . 1 . . . . 57 L CG . 17045 1 673 . 1 1 57 57 LEU N N 15 118.761 0.12 . 1 . . . . 57 L N . 17045 1 674 . 1 1 58 58 VAL H H 1 8.037 0.015 . 1 . . . . 58 V H . 17045 1 675 . 1 1 58 58 VAL HA H 1 3.618 0.015 . 1 . . . . 58 V HA . 17045 1 676 . 1 1 58 58 VAL HB H 1 2.138 0.015 . 1 . . . . 58 V HB . 17045 1 677 . 1 1 58 58 VAL HG11 H 1 1.064 0.015 . 2 . . . . 58 V QG1 . 17045 1 678 . 1 1 58 58 VAL HG12 H 1 1.064 0.015 . 2 . . . . 58 V QG1 . 17045 1 679 . 1 1 58 58 VAL HG13 H 1 1.064 0.015 . 2 . . . . 58 V QG1 . 17045 1 680 . 1 1 58 58 VAL HG21 H 1 1.052 0.015 . 2 . . . . 58 V QG2 . 17045 1 681 . 1 1 58 58 VAL HG22 H 1 1.052 0.015 . 2 . . . . 58 V QG2 . 17045 1 682 . 1 1 58 58 VAL HG23 H 1 1.052 0.015 . 2 . . . . 58 V QG2 . 17045 1 683 . 1 1 58 58 VAL C C 13 178.343 0.5 . 1 . . . . 58 V C . 17045 1 684 . 1 1 58 58 VAL CA C 13 67.254 0.5 . 1 . . . . 58 V CA . 17045 1 685 . 1 1 58 58 VAL CB C 13 31.701 0.5 . 1 . . . . 58 V CB . 17045 1 686 . 1 1 58 58 VAL CG1 C 13 24.013 0.5 . 1 . . . . 58 V CG1 . 17045 1 687 . 1 1 58 58 VAL CG2 C 13 22.091 0.5 . 1 . . . . 58 V CG2 . 17045 1 688 . 1 1 58 58 VAL N N 15 118.069 0.12 . 1 . . . . 58 V N . 17045 1 689 . 1 1 59 59 LYS H H 1 7.375 0.015 . 1 . . . . 59 K H . 17045 1 690 . 1 1 59 59 LYS HA H 1 4.015 0.015 . 1 . . . . 59 K HA . 17045 1 691 . 1 1 59 59 LYS HB2 H 1 1.842 0.015 . 1 . . . . 59 K QB . 17045 1 692 . 1 1 59 59 LYS HB3 H 1 1.842 0.015 . 1 . . . . 59 K QB . 17045 1 693 . 1 1 59 59 LYS HD2 H 1 1.565 0.015 . 1 . . . . 59 K QD . 17045 1 694 . 1 1 59 59 LYS HD3 H 1 1.565 0.015 . 1 . . . . 59 K QD . 17045 1 695 . 1 1 59 59 LYS HE2 H 1 2.914 0.015 . 1 . . . . 59 K QE . 17045 1 696 . 1 1 59 59 LYS HE3 H 1 2.914 0.015 . 1 . . . . 59 K QE . 17045 1 697 . 1 1 59 59 LYS HG2 H 1 1.319 0.015 . 1 . . . . 59 K QG . 17045 1 698 . 1 1 59 59 LYS HG3 H 1 1.319 0.015 . 1 . . . . 59 K QG . 17045 1 699 . 1 1 59 59 LYS C C 13 180.042 0.5 . 1 . . . . 59 K C . 17045 1 700 . 1 1 59 59 LYS CA C 13 60.048 0.5 . 1 . . . . 59 K CA . 17045 1 701 . 1 1 59 59 LYS CB C 13 31.701 0.5 . 1 . . . . 59 K CB . 17045 1 702 . 1 1 59 59 LYS CD C 13 29.298 0.5 . 1 . . . . 59 K CD . 17045 1 703 . 1 1 59 59 LYS CE C 13 44.673 0.5 . 1 . . . . 59 K CE . 17045 1 704 . 1 1 59 59 LYS CG C 13 24.974 0.5 . 1 . . . . 59 K CG . 17045 1 705 . 1 1 59 59 LYS N N 15 120.354 0.12 . 1 . . . . 59 K N . 17045 1 706 . 1 1 60 60 TYR H H 1 8.201 0.015 . 1 . . . . 60 Y H . 17045 1 707 . 1 1 60 60 TYR HA H 1 4.555 0.015 . 1 . . . . 60 Y HA . 17045 1 708 . 1 1 60 60 TYR HB2 H 1 3.235 0.015 . 1 . . . . 60 Y HB2 . 17045 1 709 . 1 1 60 60 TYR HB3 H 1 3.063 0.015 . 1 . . . . 60 Y HB3 . 17045 1 710 . 1 1 60 60 TYR HD1 H 1 6.850 0.015 . 1 . . . . 60 Y QD . 17045 1 711 . 1 1 60 60 TYR HD2 H 1 6.850 0.015 . 1 . . . . 60 Y QD . 17045 1 712 . 1 1 60 60 TYR HE1 H 1 6.648 0.015 . 1 . . . . 60 Y QE . 17045 1 713 . 1 1 60 60 TYR HE2 H 1 6.648 0.015 . 1 . . . . 60 Y QE . 17045 1 714 . 1 1 60 60 TYR C C 13 179.224 0.5 . 1 . . . . 60 Y C . 17045 1 715 . 1 1 60 60 TYR CA C 13 58.606 0.5 . 1 . . . . 60 Y CA . 17045 1 716 . 1 1 60 60 TYR CB C 13 37.947 0.5 . 1 . . . . 60 Y CB . 17045 1 717 . 1 1 60 60 TYR N N 15 118.762 0.12 . 1 . . . . 60 Y N . 17045 1 718 . 1 1 61 61 ILE H H 1 8.522 0.015 . 1 . . . . 61 I H . 17045 1 719 . 1 1 61 61 ILE HA H 1 4.242 0.015 . 1 . . . . 61 I HA . 17045 1 720 . 1 1 61 61 ILE HB H 1 2.407 0.015 . 1 . . . . 61 I HB . 17045 1 721 . 1 1 61 61 ILE HD11 H 1 1.188 0.015 . 1 . . . . 61 I QD1 . 17045 1 722 . 1 1 61 61 ILE HD12 H 1 1.188 0.015 . 1 . . . . 61 I QD1 . 17045 1 723 . 1 1 61 61 ILE HD13 H 1 1.188 0.015 . 1 . . . . 61 I QD1 . 17045 1 724 . 1 1 61 61 ILE HG12 H 1 1.897 0.015 . 1 . . . . 61 I QG1 . 17045 1 725 . 1 1 61 61 ILE HG13 H 1 1.897 0.015 . 1 . . . . 61 I QG1 . 17045 1 726 . 1 1 61 61 ILE HG21 H 1 1.210 0.015 . 1 . . . . 61 I QG2 . 17045 1 727 . 1 1 61 61 ILE HG22 H 1 1.210 0.015 . 1 . . . . 61 I QG2 . 17045 1 728 . 1 1 61 61 ILE HG23 H 1 1.210 0.015 . 1 . . . . 61 I QG2 . 17045 1 729 . 1 1 61 61 ILE C C 13 179.310 0.5 . 1 . . . . 61 I C . 17045 1 730 . 1 1 61 61 ILE CA C 13 64.372 0.5 . 1 . . . . 61 I CA . 17045 1 731 . 1 1 61 61 ILE CB C 13 37.466 0.5 . 1 . . . . 61 I CB . 17045 1 732 . 1 1 61 61 ILE CD1 C 13 13.443 0.5 . 1 . . . . 61 I CD1 . 17045 1 733 . 1 1 61 61 ILE CG1 C 13 28.337 0.5 . 1 . . . . 61 I CG1 . 17045 1 734 . 1 1 61 61 ILE CG2 C 13 17.767 0.5 . 1 . . . . 61 I CG2 . 17045 1 735 . 1 1 61 61 ILE N N 15 118.698 0.12 . 1 . . . . 61 I N . 17045 1 736 . 1 1 62 62 CYS H H 1 8.534 0.015 . 1 . . . . 62 C H . 17045 1 737 . 1 1 62 62 CYS HA H 1 4.125 0.015 . 1 . . . . 62 C HA . 17045 1 738 . 1 1 62 62 CYS HB2 H 1 3.272 0.015 . 1 . . . . 62 C HB2 . 17045 1 739 . 1 1 62 62 CYS HB3 H 1 2.858 0.015 . 1 . . . . 62 C HB3 . 17045 1 740 . 1 1 62 62 CYS C C 13 177.238 0.5 . 1 . . . . 62 C C . 17045 1 741 . 1 1 62 62 CYS CA C 13 64.852 0.5 . 1 . . . . 62 C CA . 17045 1 742 . 1 1 62 62 CYS CB C 13 26.416 0.5 . 1 . . . . 62 C CB . 17045 1 743 . 1 1 62 62 CYS N N 15 119.090 0.12 . 1 . . . . 62 C N . 17045 1 744 . 1 1 63 63 LYS H H 1 8.250 0.015 . 1 . . . . 63 K H . 17045 1 745 . 1 1 63 63 LYS HA H 1 4.206 0.015 . 1 . . . . 63 K HA . 17045 1 746 . 1 1 63 63 LYS HB2 H 1 2.148 0.015 . 1 . . . . 63 K HB2 . 17045 1 747 . 1 1 63 63 LYS HB3 H 1 1.993 0.015 . 1 . . . . 63 K HB3 . 17045 1 748 . 1 1 63 63 LYS HD2 H 1 1.722 0.015 . 1 . . . . 63 K QD . 17045 1 749 . 1 1 63 63 LYS HD3 H 1 1.722 0.015 . 1 . . . . 63 K QD . 17045 1 750 . 1 1 63 63 LYS HE2 H 1 2.971 0.015 . 1 . . . . 63 K QE . 17045 1 751 . 1 1 63 63 LYS HE3 H 1 2.971 0.015 . 1 . . . . 63 K QE . 17045 1 752 . 1 1 63 63 LYS HG2 H 1 1.716 0.015 . 1 . . . . 63 K HG2 . 17045 1 753 . 1 1 63 63 LYS HG3 H 1 1.557 0.015 . 1 . . . . 63 K HG3 . 17045 1 754 . 1 1 63 63 LYS C C 13 180.162 0.5 . 1 . . . . 63 K C . 17045 1 755 . 1 1 63 63 LYS CA C 13 59.087 0.5 . 1 . . . . 63 K CA . 17045 1 756 . 1 1 63 63 LYS CB C 13 32.181 0.5 . 1 . . . . 63 K CB . 17045 1 757 . 1 1 63 63 LYS CD C 13 25.935 0.5 . 1 . . . . 63 K CD . 17045 1 758 . 1 1 63 63 LYS CE C 13 41.790 0.5 . 1 . . . . 63 K CE . 17045 1 759 . 1 1 63 63 LYS CG C 13 25.455 0.5 . 1 . . . . 63 K CG . 17045 1 760 . 1 1 63 63 LYS N N 15 120.598 0.12 . 1 . . . . 63 K N . 17045 1 761 . 1 1 64 64 GLN H H 1 8.217 0.015 . 1 . . . . 64 Q H . 17045 1 762 . 1 1 64 64 GLN HA H 1 4.012 0.015 . 1 . . . . 64 Q HA . 17045 1 763 . 1 1 64 64 GLN HB2 H 1 1.715 0.015 . 1 . . . . 64 Q QB . 17045 1 764 . 1 1 64 64 GLN HB3 H 1 1.715 0.015 . 1 . . . . 64 Q QB . 17045 1 765 . 1 1 64 64 GLN HE21 H 1 7.481 0.015 . 1 . . . . 64 Q HE21 . 17045 1 766 . 1 1 64 64 GLN HE22 H 1 6.567 0.015 . 1 . . . . 64 Q HE22 . 17045 1 767 . 1 1 64 64 GLN HG2 H 1 2.798 0.015 . 1 . . . . 64 Q HG2 . 17045 1 768 . 1 1 64 64 GLN HG3 H 1 1.919 0.015 . 1 . . . . 64 Q HG3 . 17045 1 769 . 1 1 64 64 GLN C C 13 177.397 0.5 . 1 . . . . 64 Q C . 17045 1 770 . 1 1 64 64 GLN CA C 13 59.567 0.5 . 1 . . . . 64 Q CA . 17045 1 771 . 1 1 64 64 GLN CB C 13 29.779 0.5 . 1 . . . . 64 Q CB . 17045 1 772 . 1 1 64 64 GLN CG C 13 36.986 0.5 . 1 . . . . 64 Q CG . 17045 1 773 . 1 1 64 64 GLN N N 15 122.039 0.12 . 1 . . . . 64 Q N . 17045 1 774 . 1 1 64 64 GLN NE2 N 15 110.254 0.12 . 1 . . . . 64 Q NE2 . 17045 1 775 . 1 1 65 65 GLN H H 1 8.061 0.015 . 1 . . . . 65 Q H . 17045 1 776 . 1 1 65 65 GLN HA H 1 4.102 0.015 . 1 . . . . 65 Q HA . 17045 1 777 . 1 1 65 65 GLN HB2 H 1 2.230 0.015 . 1 . . . . 65 Q QB . 17045 1 778 . 1 1 65 65 GLN HB3 H 1 2.230 0.015 . 1 . . . . 65 Q QB . 17045 1 779 . 1 1 65 65 GLN HE21 H 1 7.202 0.015 . 1 . . . . 65 Q HE21 . 17045 1 780 . 1 1 65 65 GLN HE22 H 1 6.815 0.015 . 1 . . . . 65 Q HE22 . 17045 1 781 . 1 1 65 65 GLN HG2 H 1 2.461 0.015 . 1 . . . . 65 Q QG . 17045 1 782 . 1 1 65 65 GLN HG3 H 1 2.461 0.015 . 1 . . . . 65 Q QG . 17045 1 783 . 1 1 65 65 GLN C C 13 177.266 0.5 . 1 . . . . 65 Q C . 17045 1 784 . 1 1 65 65 GLN CA C 13 59.567 0.5 . 1 . . . . 65 Q CA . 17045 1 785 . 1 1 65 65 GLN CB C 13 26.896 0.5 . 1 . . . . 65 Q CB . 17045 1 786 . 1 1 65 65 GLN CG C 13 29.779 0.5 . 1 . . . . 65 Q CG . 17045 1 787 . 1 1 65 65 GLN N N 15 119.690 0.12 . 1 . . . . 65 Q N . 17045 1 788 . 1 1 65 65 GLN NE2 N 15 106.451 0.12 . 1 . . . . 65 Q NE2 . 17045 1 789 . 1 1 66 66 GLN H H 1 8.372 0.015 . 1 . . . . 66 Q H . 17045 1 790 . 1 1 66 66 GLN HA H 1 3.635 0.015 . 1 . . . . 66 Q HA . 17045 1 791 . 1 1 66 66 GLN HB2 H 1 2.191 0.015 . 1 . . . . 66 Q HB2 . 17045 1 792 . 1 1 66 66 GLN HB3 H 1 2.088 0.015 . 1 . . . . 66 Q HB3 . 17045 1 793 . 1 1 66 66 GLN HE21 H 1 7.532 0.015 . 1 . . . . 66 Q HE21 . 17045 1 794 . 1 1 66 66 GLN HE22 H 1 6.731 0.015 . 1 . . . . 66 Q HE22 . 17045 1 795 . 1 1 66 66 GLN HG2 H 1 2.600 0.015 . 1 . . . . 66 Q HG2 . 17045 1 796 . 1 1 66 66 GLN HG3 H 1 2.296 0.015 . 1 . . . . 66 Q HG3 . 17045 1 797 . 1 1 66 66 GLN C C 13 177.978 0.5 . 1 . . . . 66 Q C . 17045 1 798 . 1 1 66 66 GLN CA C 13 59.567 0.5 . 1 . . . . 66 Q CA . 17045 1 799 . 1 1 66 66 GLN CB C 13 29.298 0.5 . 1 . . . . 66 Q CB . 17045 1 800 . 1 1 66 66 GLN CG C 13 33.622 0.5 . 1 . . . . 66 Q CG . 17045 1 801 . 1 1 66 66 GLN N N 15 118.455 0.12 . 1 . . . . 66 Q N . 17045 1 802 . 1 1 66 66 GLN NE2 N 15 112.041 0.12 . 1 . . . . 66 Q NE2 . 17045 1 803 . 1 1 67 67 SER H H 1 7.869 0.015 . 1 . . . . 67 S H . 17045 1 804 . 1 1 67 67 SER HA H 1 4.090 0.015 . 1 . . . . 67 S HA . 17045 1 805 . 1 1 67 67 SER HB2 H 1 3.985 0.015 . 1 . . . . 67 S HB2 . 17045 1 806 . 1 1 67 67 SER HB3 H 1 3.829 0.015 . 1 . . . . 67 S HB3 . 17045 1 807 . 1 1 67 67 SER C C 13 177.662 0.5 . 1 . . . . 67 S C . 17045 1 808 . 1 1 67 67 SER CA C 13 62.450 0.5 . 1 . . . . 67 S CA . 17045 1 809 . 1 1 67 67 SER CB C 13 63.411 0.5 . 1 . . . . 67 S CB . 17045 1 810 . 1 1 67 67 SER N N 15 114.639 0.12 . 1 . . . . 67 S N . 17045 1 811 . 1 1 68 68 LYS H H 1 8.036 0.015 . 1 . . . . 68 K H . 17045 1 812 . 1 1 68 68 LYS HA H 1 3.773 0.015 . 1 . . . . 68 K HA . 17045 1 813 . 1 1 68 68 LYS HB2 H 1 1.579 0.015 . 1 . . . . 68 K QB . 17045 1 814 . 1 1 68 68 LYS HB3 H 1 1.579 0.015 . 1 . . . . 68 K QB . 17045 1 815 . 1 1 68 68 LYS HD2 H 1 2.184 0.015 . 1 . . . . 68 K QD . 17045 1 816 . 1 1 68 68 LYS HD3 H 1 2.184 0.015 . 1 . . . . 68 K QD . 17045 1 817 . 1 1 68 68 LYS HE2 H 1 2.789 0.015 . 1 . . . . 68 K QE . 17045 1 818 . 1 1 68 68 LYS HE3 H 1 2.789 0.015 . 1 . . . . 68 K QE . 17045 1 819 . 1 1 68 68 LYS HG2 H 1 1.415 0.015 . 1 . . . . 68 K HG2 . 17045 1 820 . 1 1 68 68 LYS HG3 H 1 0.990 0.015 . 1 . . . . 68 K HG3 . 17045 1 821 . 1 1 68 68 LYS C C 13 176.821 0.5 . 1 . . . . 68 K C . 17045 1 822 . 1 1 68 68 LYS CA C 13 60.048 0.5 . 1 . . . . 68 K CA . 17045 1 823 . 1 1 68 68 LYS CB C 13 31.220 0.5 . 1 . . . . 68 K CB . 17045 1 824 . 1 1 68 68 LYS CD C 13 28.818 0.5 . 1 . . . . 68 K CD . 17045 1 825 . 1 1 68 68 LYS CE C 13 41.790 0.5 . 1 . . . . 68 K CE . 17045 1 826 . 1 1 68 68 LYS CG C 13 24.494 0.5 . 1 . . . . 68 K CG . 17045 1 827 . 1 1 68 68 LYS N N 15 122.875 0.12 . 1 . . . . 68 K N . 17045 1 828 . 1 1 69 69 LEU H H 1 7.905 0.015 . 1 . . . . 69 L H . 17045 1 829 . 1 1 69 69 LEU HA H 1 4.165 0.015 . 1 . . . . 69 L HA . 17045 1 830 . 1 1 69 69 LEU HB2 H 1 1.681 0.015 . 1 . . . . 69 L HB2 . 17045 1 831 . 1 1 69 69 LEU HB3 H 1 1.502 0.015 . 1 . . . . 69 L HB3 . 17045 1 832 . 1 1 69 69 LEU HD11 H 1 0.906 0.015 . 2 . . . . 69 L QD1 . 17045 1 833 . 1 1 69 69 LEU HD12 H 1 0.906 0.015 . 2 . . . . 69 L QD1 . 17045 1 834 . 1 1 69 69 LEU HD13 H 1 0.906 0.015 . 2 . . . . 69 L QD1 . 17045 1 835 . 1 1 69 69 LEU HD21 H 1 0.864 0.015 . 2 . . . . 69 L QD2 . 17045 1 836 . 1 1 69 69 LEU HD22 H 1 0.864 0.015 . 2 . . . . 69 L QD2 . 17045 1 837 . 1 1 69 69 LEU HD23 H 1 0.864 0.015 . 2 . . . . 69 L QD2 . 17045 1 838 . 1 1 69 69 LEU HG H 1 1.625 0.015 . 1 . . . . 69 L HG . 17045 1 839 . 1 1 69 69 LEU C C 13 178.078 0.5 . 1 . . . . 69 L C . 17045 1 840 . 1 1 69 69 LEU CA C 13 55.724 0.5 . 1 . . . . 69 L CA . 17045 1 841 . 1 1 69 69 LEU CB C 13 41.310 0.5 . 1 . . . . 69 L CB . 17045 1 842 . 1 1 69 69 LEU CD1 C 13 24.013 0.5 . 1 . . . . 69 L CD1 . 17045 1 843 . 1 1 69 69 LEU CD2 C 13 23.052 0.5 . 1 . . . . 69 L CD2 . 17045 1 844 . 1 1 69 69 LEU CG C 13 25.935 0.5 . 1 . . . . 69 L CG . 17045 1 845 . 1 1 69 69 LEU N N 15 114.264 0.12 . 1 . . . . 69 L N . 17045 1 846 . 1 1 70 70 SER H H 1 7.626 0.015 . 1 . . . . 70 S H . 17045 1 847 . 1 1 70 70 SER HA H 1 4.264 0.015 . 1 . . . . 70 S HA . 17045 1 848 . 1 1 70 70 SER HB2 H 1 4.035 0.015 . 1 . . . . 70 S QB . 17045 1 849 . 1 1 70 70 SER HB3 H 1 4.035 0.015 . 1 . . . . 70 S QB . 17045 1 850 . 1 1 70 70 SER C C 13 173.637 0.5 . 1 . . . . 70 S C . 17045 1 851 . 1 1 70 70 SER CA C 13 60.048 0.5 . 1 . . . . 70 S CA . 17045 1 852 . 1 1 70 70 SER CB C 13 63.411 0.5 . 1 . . . . 70 S CB . 17045 1 853 . 1 1 70 70 SER N N 15 114.427 0.12 . 1 . . . . 70 S N . 17045 1 854 . 1 1 71 71 VAL H H 1 7.527 0.015 . 1 . . . . 71 V H . 17045 1 855 . 1 1 71 71 VAL HA H 1 4.132 0.015 . 1 . . . . 71 V HA . 17045 1 856 . 1 1 71 71 VAL HB H 1 2.016 0.015 . 1 . . . . 71 V HB . 17045 1 857 . 1 1 71 71 VAL HG11 H 1 0.817 0.015 . 2 . . . . 71 V QG1 . 17045 1 858 . 1 1 71 71 VAL HG12 H 1 0.817 0.015 . 2 . . . . 71 V QG1 . 17045 1 859 . 1 1 71 71 VAL HG13 H 1 0.817 0.015 . 2 . . . . 71 V QG1 . 17045 1 860 . 1 1 71 71 VAL HG21 H 1 0.938 0.015 . 2 . . . . 71 V QG2 . 17045 1 861 . 1 1 71 71 VAL HG22 H 1 0.938 0.015 . 2 . . . . 71 V QG2 . 17045 1 862 . 1 1 71 71 VAL HG23 H 1 0.938 0.015 . 2 . . . . 71 V QG2 . 17045 1 863 . 1 1 71 71 VAL C C 13 175.182 0.5 . 1 . . . . 71 V C . 17045 1 864 . 1 1 71 71 VAL CA C 13 60.528 0.5 . 1 . . . . 71 V CA . 17045 1 865 . 1 1 71 71 VAL CB C 13 33.142 0.5 . 1 . . . . 71 V CB . 17045 1 866 . 1 1 71 71 VAL CG1 C 13 23.052 0.5 . 1 . . . . 71 V CG1 . 17045 1 867 . 1 1 71 71 VAL CG2 C 13 22.091 0.5 . 1 . . . . 71 V CG2 . 17045 1 868 . 1 1 71 71 VAL N N 15 124.679 0.12 . 1 . . . . 71 V N . 17045 1 869 . 1 1 72 72 THR H H 1 8.820 0.015 . 1 . . . . 72 T H . 17045 1 870 . 1 1 72 72 THR HA H 1 4.424 0.015 . 1 . . . . 72 T HA . 17045 1 871 . 1 1 72 72 THR HB H 1 4.226 0.015 . 1 . . . . 72 T HB . 17045 1 872 . 1 1 72 72 THR HG21 H 1 1.290 0.015 . 1 . . . . 72 T QG2 . 17045 1 873 . 1 1 72 72 THR HG22 H 1 1.290 0.015 . 1 . . . . 72 T QG2 . 17045 1 874 . 1 1 72 72 THR HG23 H 1 1.290 0.015 . 1 . . . . 72 T QG2 . 17045 1 875 . 1 1 72 72 THR C C 13 174.400 0.5 . 1 . . . . 72 T C . 17045 1 876 . 1 1 72 72 THR CA C 13 61.489 0.5 . 1 . . . . 72 T CA . 17045 1 877 . 1 1 72 72 THR CB C 13 69.657 0.5 . 1 . . . . 72 T CB . 17045 1 878 . 1 1 72 72 THR CG2 C 13 21.131 0.5 . 1 . . . . 72 T CG2 . 17045 1 879 . 1 1 72 72 THR N N 15 125.726 0.12 . 1 . . . . 72 T N . 17045 1 880 . 1 1 73 73 PRO HA H 1 3.746 0.015 . 1 . . . . 73 P HA . 17045 1 881 . 1 1 73 73 PRO HB2 H 1 2.324 0.015 . 1 . . . . 73 P QB . 17045 1 882 . 1 1 73 73 PRO HB3 H 1 2.324 0.015 . 1 . . . . 73 P QB . 17045 1 883 . 1 1 73 73 PRO HD2 H 1 3.829 0.015 . 1 . . . . 73 P QD . 17045 1 884 . 1 1 73 73 PRO HD3 H 1 3.829 0.015 . 1 . . . . 73 P QD . 17045 1 885 . 1 1 73 73 PRO HG2 H 1 2.022 0.015 . 1 . . . . 73 P QG . 17045 1 886 . 1 1 73 73 PRO HG3 H 1 2.022 0.015 . 1 . . . . 73 P QG . 17045 1 887 . 1 1 73 73 PRO C C 13 179.134 0.5 . 1 . . . . 73 P C . 17045 1 888 . 1 1 73 73 PRO CA C 13 67.254 0.5 . 1 . . . . 73 P CA . 17045 1 889 . 1 1 73 73 PRO CB C 13 32.181 0.5 . 1 . . . . 73 P CB . 17045 1 890 . 1 1 73 73 PRO CD C 13 50.919 0.5 . 1 . . . . 73 P CD . 17045 1 891 . 1 1 73 73 PRO CG C 13 27.376 0.5 . 1 . . . . 73 P CG . 17045 1 892 . 1 1 74 74 SER H H 1 8.222 0.015 . 1 . . . . 74 S H . 17045 1 893 . 1 1 74 74 SER HA H 1 4.143 0.015 . 1 . . . . 74 S HA . 17045 1 894 . 1 1 74 74 SER HB2 H 1 3.829 0.015 . 1 . . . . 74 S QB . 17045 1 895 . 1 1 74 74 SER HB3 H 1 3.829 0.015 . 1 . . . . 74 S QB . 17045 1 896 . 1 1 74 74 SER C C 13 174.922 0.5 . 1 . . . . 74 S C . 17045 1 897 . 1 1 74 74 SER CA C 13 60.528 0.5 . 1 . . . . 74 S CA . 17045 1 898 . 1 1 74 74 SER CB C 13 62.450 0.5 . 1 . . . . 74 S CB . 17045 1 899 . 1 1 74 74 SER N N 15 110.111 0.12 . 1 . . . . 74 S N . 17045 1 900 . 1 1 75 75 ASP H H 1 7.882 0.015 . 1 . . . . 75 D H . 17045 1 901 . 1 1 75 75 ASP HA H 1 4.751 0.015 . 1 . . . . 75 D HA . 17045 1 902 . 1 1 75 75 ASP HB2 H 1 2.660 0.015 . 1 . . . . 75 D HB2 . 17045 1 903 . 1 1 75 75 ASP HB3 H 1 2.542 0.015 . 1 . . . . 75 D HB3 . 17045 1 904 . 1 1 75 75 ASP C C 13 176.277 0.5 . 1 . . . . 75 D C . 17045 1 905 . 1 1 75 75 ASP CA C 13 53.802 0.5 . 1 . . . . 75 D CA . 17045 1 906 . 1 1 75 75 ASP CB C 13 41.790 0.5 . 1 . . . . 75 D CB . 17045 1 907 . 1 1 75 75 ASP N N 15 119.963 0.12 . 1 . . . . 75 D N . 17045 1 908 . 1 1 76 76 ARG H H 1 7.228 0.015 . 1 . . . . 76 R H . 17045 1 909 . 1 1 76 76 ARG HA H 1 3.805 0.015 . 1 . . . . 76 R HA . 17045 1 910 . 1 1 76 76 ARG HB2 H 1 2.010 0.015 . 1 . . . . 76 R HB2 . 17045 1 911 . 1 1 76 76 ARG HB3 H 1 1.741 0.015 . 1 . . . . 76 R HB3 . 17045 1 912 . 1 1 76 76 ARG HD2 H 1 3.162 0.015 . 1 . . . . 76 R QD . 17045 1 913 . 1 1 76 76 ARG HD3 H 1 3.162 0.015 . 1 . . . . 76 R QD . 17045 1 914 . 1 1 76 76 ARG HG2 H 1 1.314 0.015 . 1 . . . . 76 R QG . 17045 1 915 . 1 1 76 76 ARG HG3 H 1 1.314 0.015 . 1 . . . . 76 R QG . 17045 1 916 . 1 1 76 76 ARG C C 13 175.616 0.5 . 1 . . . . 76 R C . 17045 1 917 . 1 1 76 76 ARG CA C 13 58.606 0.5 . 1 . . . . 76 R CA . 17045 1 918 . 1 1 76 76 ARG CB C 13 30.740 0.5 . 1 . . . . 76 R CB . 17045 1 919 . 1 1 76 76 ARG CD C 13 44.673 0.5 . 1 . . . . 76 R CD . 17045 1 920 . 1 1 76 76 ARG CG C 13 28.818 0.5 . 1 . . . . 76 R CG . 17045 1 921 . 1 1 76 76 ARG N N 15 117.980 0.12 . 1 . . . . 76 R N . 17045 1 922 . 1 1 77 77 THR H H 1 6.207 0.015 . 1 . . . . 77 T H . 17045 1 923 . 1 1 77 77 THR HA H 1 4.566 0.015 . 1 . . . . 77 T HA . 17045 1 924 . 1 1 77 77 THR HB H 1 4.727 0.015 . 1 . . . . 77 T HB . 17045 1 925 . 1 1 77 77 THR HG21 H 1 1.317 0.015 . 1 . . . . 77 T QG2 . 17045 1 926 . 1 1 77 77 THR HG22 H 1 1.317 0.015 . 1 . . . . 77 T QG2 . 17045 1 927 . 1 1 77 77 THR HG23 H 1 1.317 0.015 . 1 . . . . 77 T QG2 . 17045 1 928 . 1 1 77 77 THR C C 13 174.585 0.5 . 1 . . . . 77 T C . 17045 1 929 . 1 1 77 77 THR CA C 13 58.606 0.5 . 1 . . . . 77 T CA . 17045 1 930 . 1 1 77 77 THR CB C 13 71.098 0.5 . 1 . . . . 77 T CB . 17045 1 931 . 1 1 77 77 THR CG2 C 13 23.052 0.5 . 1 . . . . 77 T CG2 . 17045 1 932 . 1 1 77 77 THR N N 15 110.237 0.12 . 1 . . . . 77 T N . 17045 1 933 . 1 1 78 78 ALA H H 1 8.921 0.015 . 1 . . . . 78 A H . 17045 1 934 . 1 1 78 78 ALA HA H 1 4.088 0.015 . 1 . . . . 78 A HA . 17045 1 935 . 1 1 78 78 ALA HB1 H 1 1.410 0.015 . 1 . . . . 78 A QB . 17045 1 936 . 1 1 78 78 ALA HB2 H 1 1.410 0.015 . 1 . . . . 78 A QB . 17045 1 937 . 1 1 78 78 ALA HB3 H 1 1.410 0.015 . 1 . . . . 78 A QB . 17045 1 938 . 1 1 78 78 ALA C C 13 180.641 0.5 . 1 . . . . 78 A C . 17045 1 939 . 1 1 78 78 ALA CA C 13 55.724 0.5 . 1 . . . . 78 A CA . 17045 1 940 . 1 1 78 78 ALA CB C 13 17.767 0.5 . 1 . . . . 78 A CB . 17045 1 941 . 1 1 78 78 ALA N N 15 123.795 0.12 . 1 . . . . 78 A N . 17045 1 942 . 1 1 79 79 GLU H H 1 8.335 0.015 . 1 . . . . 79 E H . 17045 1 943 . 1 1 79 79 GLU HA H 1 3.907 0.015 . 1 . . . . 79 E HA . 17045 1 944 . 1 1 79 79 GLU HB2 H 1 2.016 0.015 . 1 . . . . 79 E HB2 . 17045 1 945 . 1 1 79 79 GLU HB3 H 1 1.846 0.015 . 1 . . . . 79 E HB3 . 17045 1 946 . 1 1 79 79 GLU HG2 H 1 2.269 0.015 . 1 . . . . 79 E QG . 17045 1 947 . 1 1 79 79 GLU HG3 H 1 2.269 0.015 . 1 . . . . 79 E QG . 17045 1 948 . 1 1 79 79 GLU C C 13 179.614 0.5 . 1 . . . . 79 E C . 17045 1 949 . 1 1 79 79 GLU CA C 13 59.567 0.5 . 1 . . . . 79 E CA . 17045 1 950 . 1 1 79 79 GLU CB C 13 29.298 0.5 . 1 . . . . 79 E CB . 17045 1 951 . 1 1 79 79 GLU CG C 13 36.505 0.5 . 1 . . . . 79 E CG . 17045 1 952 . 1 1 79 79 GLU N N 15 116.620 0.12 . 1 . . . . 79 E N . 17045 1 953 . 1 1 80 80 LEU H H 1 7.369 0.015 . 1 . . . . 80 L H . 17045 1 954 . 1 1 80 80 LEU HA H 1 4.291 0.015 . 1 . . . . 80 L HA . 17045 1 955 . 1 1 80 80 LEU HB2 H 1 1.865 0.015 . 1 . . . . 80 L HB2 . 17045 1 956 . 1 1 80 80 LEU HB3 H 1 1.405 0.015 . 1 . . . . 80 L HB3 . 17045 1 957 . 1 1 80 80 LEU HD11 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1 958 . 1 1 80 80 LEU HD12 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1 959 . 1 1 80 80 LEU HD13 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1 960 . 1 1 80 80 LEU HD21 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1 961 . 1 1 80 80 LEU HD22 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1 962 . 1 1 80 80 LEU HD23 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1 963 . 1 1 80 80 LEU HG H 1 1.076 0.015 . 1 . . . . 80 L HG . 17045 1 964 . 1 1 80 80 LEU C C 13 176.593 0.5 . 1 . . . . 80 L C . 17045 1 965 . 1 1 80 80 LEU CA C 13 58.126 0.5 . 1 . . . . 80 L CA . 17045 1 966 . 1 1 80 80 LEU CB C 13 41.790 0.5 . 1 . . . . 80 L CB . 17045 1 967 . 1 1 80 80 LEU CD1 C 13 23.533 0.5 . 1 . . . . 80 L CD1 . 17045 1 968 . 1 1 80 80 LEU CD2 C 13 23.533 0.5 . 1 . . . . 80 L CD2 . 17045 1 969 . 1 1 80 80 LEU CG C 13 27.376 0.5 . 1 . . . . 80 L CG . 17045 1 970 . 1 1 80 80 LEU N N 15 121.424 0.12 . 1 . . . . 80 L N . 17045 1 971 . 1 1 81 81 ASN H H 1 8.187 0.015 . 1 . . . . 81 N H . 17045 1 972 . 1 1 81 81 ASN HA H 1 4.689 0.015 . 1 . . . . 81 N HA . 17045 1 973 . 1 1 81 81 ASN HB2 H 1 2.843 0.015 . 1 . . . . 81 N HB2 . 17045 1 974 . 1 1 81 81 ASN HB3 H 1 2.681 0.015 . 1 . . . . 81 N HB3 . 17045 1 975 . 1 1 81 81 ASN HD21 H 1 7.024 0.015 . 1 . . . . 81 N HD21 . 17045 1 976 . 1 1 81 81 ASN HD22 H 1 6.467 0.015 . 1 . . . . 81 N HD22 . 17045 1 977 . 1 1 81 81 ASN C C 13 176.080 0.5 . 1 . . . . 81 N C . 17045 1 978 . 1 1 81 81 ASN CA C 13 54.282 0.5 . 1 . . . . 81 N CA . 17045 1 979 . 1 1 81 81 ASN CB C 13 38.427 0.5 . 1 . . . . 81 N CB . 17045 1 980 . 1 1 81 81 ASN N N 15 113.083 0.12 . 1 . . . . 81 N N . 17045 1 981 . 1 1 81 81 ASN ND2 N 15 108.935 0.12 . 1 . . . . 81 N ND2 . 17045 1 982 . 1 1 82 82 SER H H 1 7.333 0.015 . 1 . . . . 82 S H . 17045 1 983 . 1 1 82 82 SER HA H 1 4.214 0.015 . 1 . . . . 82 S HA . 17045 1 984 . 1 1 82 82 SER HB2 H 1 3.783 0.015 . 1 . . . . 82 S QB . 17045 1 985 . 1 1 82 82 SER HB3 H 1 3.783 0.015 . 1 . . . . 82 S QB . 17045 1 986 . 1 1 82 82 SER C C 13 172.129 0.5 . 1 . . . . 82 S C . 17045 1 987 . 1 1 82 82 SER CA C 13 60.048 0.5 . 1 . . . . 82 S CA . 17045 1 988 . 1 1 82 82 SER CB C 13 63.411 0.5 . 1 . . . . 82 S CB . 17045 1 989 . 1 1 82 82 SER N N 15 115.154 0.12 . 1 . . . . 82 S N . 17045 1 990 . 1 1 83 83 TYR H H 1 7.579 0.015 . 1 . . . . 83 Y H . 17045 1 991 . 1 1 83 83 TYR HA H 1 4.611 0.015 . 1 . . . . 83 Y HA . 17045 1 992 . 1 1 83 83 TYR HB2 H 1 2.991 0.015 . 1 . . . . 83 Y HB2 . 17045 1 993 . 1 1 83 83 TYR HB3 H 1 2.581 0.015 . 1 . . . . 83 Y HB3 . 17045 1 994 . 1 1 83 83 TYR HD1 H 1 7.277 0.015 . 1 . . . . 83 Y QD . 17045 1 995 . 1 1 83 83 TYR HD2 H 1 7.277 0.015 . 1 . . . . 83 Y QD . 17045 1 996 . 1 1 83 83 TYR HE1 H 1 6.620 0.015 . 1 . . . . 83 Y QE . 17045 1 997 . 1 1 83 83 TYR HE2 H 1 6.620 0.015 . 1 . . . . 83 Y QE . 17045 1 998 . 1 1 83 83 TYR C C 13 175.100 0.5 . 1 . . . . 83 Y C . 17045 1 999 . 1 1 83 83 TYR CA C 13 55.724 0.5 . 1 . . . . 83 Y CA . 17045 1 1000 . 1 1 83 83 TYR CB C 13 40.829 0.5 . 1 . . . . 83 Y CB . 17045 1 1001 . 1 1 83 83 TYR N N 15 119.279 0.12 . 1 . . . . 83 Y N . 17045 1 1002 . 1 1 84 84 PRO HA H 1 4.922 0.015 . 1 . . . . 84 P HA . 17045 1 1003 . 1 1 84 84 PRO HB2 H 1 3.068 0.015 . 1 . . . . 84 P HB2 . 17045 1 1004 . 1 1 84 84 PRO HB3 H 1 1.981 0.015 . 1 . . . . 84 P HB3 . 17045 1 1005 . 1 1 84 84 PRO HD2 H 1 3.573 0.015 . 1 . . . . 84 P HD2 . 17045 1 1006 . 1 1 84 84 PRO HD3 H 1 3.444 0.015 . 1 . . . . 84 P HD3 . 17045 1 1007 . 1 1 84 84 PRO HG2 H 1 2.129 0.015 . 1 . . . . 84 P HG2 . 17045 1 1008 . 1 1 84 84 PRO HG3 H 1 1.749 0.015 . 1 . . . . 84 P HG3 . 17045 1 1009 . 1 1 84 84 PRO C C 13 175.984 0.5 . 1 . . . . 84 P C . 17045 1 1010 . 1 1 84 84 PRO CA C 13 61.969 0.5 . 1 . . . . 84 P CA . 17045 1 1011 . 1 1 84 84 PRO CB C 13 34.583 0.5 . 1 . . . . 84 P CB . 17045 1 1012 . 1 1 84 84 PRO CD C 13 50.438 0.5 . 1 . . . . 84 P CD . 17045 1 1013 . 1 1 84 84 PRO CG C 13 25.935 0.5 . 1 . . . . 84 P CG . 17045 1 1014 . 1 1 85 85 ARG H H 1 10.709 0.015 . 1 . . . . 85 R H . 17045 1 1015 . 1 1 85 85 ARG HA H 1 4.488 0.015 . 1 . . . . 85 R HA . 17045 1 1016 . 1 1 85 85 ARG HB2 H 1 2.280 0.015 . 1 . . . . 85 R HB2 . 17045 1 1017 . 1 1 85 85 ARG HB3 H 1 1.836 0.015 . 1 . . . . 85 R HB3 . 17045 1 1018 . 1 1 85 85 ARG HD2 H 1 3.228 0.015 . 1 . . . . 85 R QD . 17045 1 1019 . 1 1 85 85 ARG HD3 H 1 3.228 0.015 . 1 . . . . 85 R QD . 17045 1 1020 . 1 1 85 85 ARG HG2 H 1 1.890 0.015 . 1 . . . . 85 R HG2 . 17045 1 1021 . 1 1 85 85 ARG HG3 H 1 1.745 0.015 . 1 . . . . 85 R HG3 . 17045 1 1022 . 1 1 85 85 ARG C C 13 178.273 0.5 . 1 . . . . 85 R C . 17045 1 1023 . 1 1 85 85 ARG CA C 13 56.684 0.5 . 1 . . . . 85 R CA . 17045 1 1024 . 1 1 85 85 ARG CB C 13 29.779 0.5 . 1 . . . . 85 R CB . 17045 1 1025 . 1 1 85 85 ARG CD C 13 43.712 0.5 . 1 . . . . 85 R CD . 17045 1 1026 . 1 1 85 85 ARG CG C 13 28.337 0.5 . 1 . . . . 85 R CG . 17045 1 1027 . 1 1 85 85 ARG N N 15 123.378 0.12 . 1 . . . . 85 R N . 17045 1 1028 . 1 1 86 86 PHE H H 1 8.891 0.015 . 1 . . . . 86 F H . 17045 1 1029 . 1 1 86 86 PHE HA H 1 4.474 0.015 . 1 . . . . 86 F HA . 17045 1 1030 . 1 1 86 86 PHE HB2 H 1 3.385 0.015 . 1 . . . . 86 F HB2 . 17045 1 1031 . 1 1 86 86 PHE HB3 H 1 3.297 0.015 . 1 . . . . 86 F HB3 . 17045 1 1032 . 1 1 86 86 PHE HD1 H 1 7.250 0.015 . 1 . . . . 86 F QD . 17045 1 1033 . 1 1 86 86 PHE HD2 H 1 7.250 0.015 . 1 . . . . 86 F QD . 17045 1 1034 . 1 1 86 86 PHE HE1 H 1 7.101 0.015 . 1 . . . . 86 F QE . 17045 1 1035 . 1 1 86 86 PHE HE2 H 1 7.101 0.015 . 1 . . . . 86 F QE . 17045 1 1036 . 1 1 86 86 PHE HZ H 1 7.003 0.015 . 1 . . . . 86 F HZ . 17045 1 1037 . 1 1 86 86 PHE C C 13 177.674 0.5 . 1 . . . . 86 F C . 17045 1 1038 . 1 1 86 86 PHE CA C 13 59.087 0.5 . 1 . . . . 86 F CA . 17045 1 1039 . 1 1 86 86 PHE CB C 13 38.907 0.5 . 1 . . . . 86 F CB . 17045 1 1040 . 1 1 86 86 PHE N N 15 127.905 0.12 . 1 . . . . 86 F N . 17045 1 1041 . 1 1 87 87 SER H H 1 8.865 0.015 . 1 . . . . 87 S H . 17045 1 1042 . 1 1 87 87 SER HA H 1 3.864 0.015 . 1 . . . . 87 S HA . 17045 1 1043 . 1 1 87 87 SER HB2 H 1 3.905 0.015 . 1 . . . . 87 S QB . 17045 1 1044 . 1 1 87 87 SER HB3 H 1 3.905 0.015 . 1 . . . . 87 S QB . 17045 1 1045 . 1 1 87 87 SER C C 13 177.331 0.5 . 1 . . . . 87 S C . 17045 1 1046 . 1 1 87 87 SER CA C 13 61.969 0.5 . 1 . . . . 87 S CA . 17045 1 1047 . 1 1 87 87 SER CB C 13 60.528 0.5 . 1 . . . . 87 S CB . 17045 1 1048 . 1 1 87 87 SER N N 15 110.593 0.12 . 1 . . . . 87 S N . 17045 1 1049 . 1 1 88 88 ASP H H 1 6.743 0.015 . 1 . . . . 88 D H . 17045 1 1050 . 1 1 88 88 ASP HA H 1 4.545 0.015 . 1 . . . . 88 D HA . 17045 1 1051 . 1 1 88 88 ASP HB2 H 1 2.518 0.015 . 1 . . . . 88 D QB . 17045 1 1052 . 1 1 88 88 ASP HB3 H 1 2.518 0.015 . 1 . . . . 88 D QB . 17045 1 1053 . 1 1 88 88 ASP C C 13 176.986 0.5 . 1 . . . . 88 D C . 17045 1 1054 . 1 1 88 88 ASP CA C 13 57.645 0.5 . 1 . . . . 88 D CA . 17045 1 1055 . 1 1 88 88 ASP CB C 13 40.349 0.5 . 1 . . . . 88 D CB . 17045 1 1056 . 1 1 88 88 ASP N N 15 122.349 0.12 . 1 . . . . 88 D N . 17045 1 1057 . 1 1 89 89 TRP H H 1 8.062 0.015 . 1 . . . . 89 W H . 17045 1 1058 . 1 1 89 89 TRP HA H 1 4.106 0.015 . 1 . . . . 89 W HA . 17045 1 1059 . 1 1 89 89 TRP HB2 H 1 3.788 0.015 . 1 . . . . 89 W HB2 . 17045 1 1060 . 1 1 89 89 TRP HB3 H 1 3.180 0.015 . 1 . . . . 89 W HB3 . 17045 1 1061 . 1 1 89 89 TRP HD1 H 1 7.282 0.015 . 1 . . . . 89 W HD1 . 17045 1 1062 . 1 1 89 89 TRP HE1 H 1 9.950 0.015 . 1 . . . . 89 W HE1 . 17045 1 1063 . 1 1 89 89 TRP HE3 H 1 7.446 0.015 . 1 . . . . 89 W HE3 . 17045 1 1064 . 1 1 89 89 TRP HH2 H 1 6.790 0.015 . 1 . . . . 89 W HH2 . 17045 1 1065 . 1 1 89 89 TRP HZ2 H 1 6.963 0.015 . 1 . . . . 89 W HZ2 . 17045 1 1066 . 1 1 89 89 TRP HZ3 H 1 6.854 0.015 . 1 . . . . 89 W HZ3 . 17045 1 1067 . 1 1 89 89 TRP C C 13 177.122 0.5 . 1 . . . . 89 W C . 17045 1 1068 . 1 1 89 89 TRP CA C 13 62.930 0.5 . 1 . . . . 89 W CA . 17045 1 1069 . 1 1 89 89 TRP CB C 13 29.779 0.5 . 1 . . . . 89 W CB . 17045 1 1070 . 1 1 89 89 TRP N N 15 121.188 0.12 . 1 . . . . 89 W N . 17045 1 1071 . 1 1 89 89 TRP NE1 N 15 126.741 0.12 . 1 . . . . 89 W NE1 . 17045 1 1072 . 1 1 90 90 LEU H H 1 8.685 0.015 . 1 . . . . 90 L H . 17045 1 1073 . 1 1 90 90 LEU HA H 1 3.658 0.015 . 1 . . . . 90 L HA . 17045 1 1074 . 1 1 90 90 LEU HB2 H 1 1.760 0.015 . 1 . . . . 90 L HB2 . 17045 1 1075 . 1 1 90 90 LEU HB3 H 1 1.164 0.015 . 1 . . . . 90 L HB3 . 17045 1 1076 . 1 1 90 90 LEU HD11 H 1 0.359 0.015 . 2 . . . . 90 L QD1 . 17045 1 1077 . 1 1 90 90 LEU HD12 H 1 0.359 0.015 . 2 . . . . 90 L QD1 . 17045 1 1078 . 1 1 90 90 LEU HD13 H 1 0.359 0.015 . 2 . . . . 90 L QD1 . 17045 1 1079 . 1 1 90 90 LEU HD21 H 1 0.771 0.015 . 2 . . . . 90 L QD2 . 17045 1 1080 . 1 1 90 90 LEU HD22 H 1 0.771 0.015 . 2 . . . . 90 L QD2 . 17045 1 1081 . 1 1 90 90 LEU HD23 H 1 0.771 0.015 . 2 . . . . 90 L QD2 . 17045 1 1082 . 1 1 90 90 LEU HG H 1 1.760 0.015 . 1 . . . . 90 L HG . 17045 1 1083 . 1 1 90 90 LEU C C 13 178.842 0.5 . 1 . . . . 90 L C . 17045 1 1084 . 1 1 90 90 LEU CA C 13 57.645 0.5 . 1 . . . . 90 L CA . 17045 1 1085 . 1 1 90 90 LEU CB C 13 42.271 0.5 . 1 . . . . 90 L CB . 17045 1 1086 . 1 1 90 90 LEU CD1 C 13 25.455 0.5 . 1 . . . . 90 L CD1 . 17045 1 1087 . 1 1 90 90 LEU CD2 C 13 23.533 0.5 . 1 . . . . 90 L CD2 . 17045 1 1088 . 1 1 90 90 LEU CG C 13 26.896 0.5 . 1 . . . . 90 L CG . 17045 1 1089 . 1 1 90 90 LEU N N 15 115.380 0.12 . 1 . . . . 90 L N . 17045 1 1090 . 1 1 91 91 TYR H H 1 7.490 0.015 . 1 . . . . 91 Y H . 17045 1 1091 . 1 1 91 91 TYR HA H 1 4.247 0.015 . 1 . . . . 91 Y HA . 17045 1 1092 . 1 1 91 91 TYR HB2 H 1 3.270 0.015 . 1 . . . . 91 Y HB2 . 17045 1 1093 . 1 1 91 91 TYR HB3 H 1 2.982 0.015 . 1 . . . . 91 Y HB3 . 17045 1 1094 . 1 1 91 91 TYR HD1 H 1 7.002 0.015 . 1 . . . . 91 Y QD . 17045 1 1095 . 1 1 91 91 TYR HD2 H 1 7.002 0.015 . 1 . . . . 91 Y QD . 17045 1 1096 . 1 1 91 91 TYR HE1 H 1 6.621 0.015 . 1 . . . . 91 Y QE . 17045 1 1097 . 1 1 91 91 TYR HE2 H 1 6.621 0.015 . 1 . . . . 91 Y QE . 17045 1 1098 . 1 1 91 91 TYR C C 13 180.297 0.5 . 1 . . . . 91 Y C . 17045 1 1099 . 1 1 91 91 TYR CA C 13 62.450 0.5 . 1 . . . . 91 Y CA . 17045 1 1100 . 1 1 91 91 TYR CB C 13 38.427 0.5 . 1 . . . . 91 Y CB . 17045 1 1101 . 1 1 91 91 TYR N N 15 117.412 0.12 . 1 . . . . 91 Y N . 17045 1 1102 . 1 1 92 92 ILE H H 1 8.533 0.015 . 1 . . . . 92 I H . 17045 1 1103 . 1 1 92 92 ILE HA H 1 2.895 0.015 . 1 . . . . 92 I HA . 17045 1 1104 . 1 1 92 92 ILE HB H 1 1.356 0.015 . 1 . . . . 92 I HB . 17045 1 1105 . 1 1 92 92 ILE HD11 H 1 0.818 0.015 . 1 . . . . 92 I QD1 . 17045 1 1106 . 1 1 92 92 ILE HD12 H 1 0.818 0.015 . 1 . . . . 92 I QD1 . 17045 1 1107 . 1 1 92 92 ILE HD13 H 1 0.818 0.015 . 1 . . . . 92 I QD1 . 17045 1 1108 . 1 1 92 92 ILE HG12 H 1 1.971 0.015 . 1 . . . . 92 I HG12 . 17045 1 1109 . 1 1 92 92 ILE HG13 H 1 0.732 0.015 . 1 . . . . 92 I HG13 . 17045 1 1110 . 1 1 92 92 ILE HG21 H 1 -0.036 0.015 . 1 . . . . 92 I QG2 . 17045 1 1111 . 1 1 92 92 ILE HG22 H 1 -0.036 0.015 . 1 . . . . 92 I QG2 . 17045 1 1112 . 1 1 92 92 ILE HG23 H 1 -0.036 0.015 . 1 . . . . 92 I QG2 . 17045 1 1113 . 1 1 92 92 ILE C C 13 176.687 0.5 . 1 . . . . 92 I C . 17045 1 1114 . 1 1 92 92 ILE CA C 13 66.774 0.5 . 1 . . . . 92 I CA . 17045 1 1115 . 1 1 92 92 ILE CB C 13 37.466 0.5 . 1 . . . . 92 I CB . 17045 1 1116 . 1 1 92 92 ILE CD1 C 13 15.365 0.5 . 1 . . . . 92 I CD1 . 17045 1 1117 . 1 1 92 92 ILE CG1 C 13 29.298 0.5 . 1 . . . . 92 I CG1 . 17045 1 1118 . 1 1 92 92 ILE CG2 C 13 16.806 0.5 . 1 . . . . 92 I CG2 . 17045 1 1119 . 1 1 92 92 ILE N N 15 123.624 0.12 . 1 . . . . 92 I N . 17045 1 1120 . 1 1 93 93 PHE H H 1 6.894 0.015 . 1 . . . . 93 F H . 17045 1 1121 . 1 1 93 93 PHE HA H 1 3.995 0.015 . 1 . . . . 93 F HA . 17045 1 1122 . 1 1 93 93 PHE HB2 H 1 2.884 0.015 . 1 . . . . 93 F HB2 . 17045 1 1123 . 1 1 93 93 PHE HB3 H 1 1.875 0.015 . 1 . . . . 93 F HB3 . 17045 1 1124 . 1 1 93 93 PHE HD1 H 1 6.514 0.015 . 1 . . . . 93 F QD . 17045 1 1125 . 1 1 93 93 PHE HD2 H 1 6.514 0.015 . 1 . . . . 93 F QD . 17045 1 1126 . 1 1 93 93 PHE HE1 H 1 6.628 0.015 . 1 . . . . 93 F QE . 17045 1 1127 . 1 1 93 93 PHE HE2 H 1 6.628 0.015 . 1 . . . . 93 F QE . 17045 1 1128 . 1 1 93 93 PHE HZ H 1 7.005 0.015 . 1 . . . . 93 F HZ . 17045 1 1129 . 1 1 93 93 PHE C C 13 173.818 0.5 . 1 . . . . 93 F C . 17045 1 1130 . 1 1 93 93 PHE CA C 13 60.048 0.5 . 1 . . . . 93 F CA . 17045 1 1131 . 1 1 93 93 PHE CB C 13 37.466 0.5 . 1 . . . . 93 F CB . 17045 1 1132 . 1 1 93 93 PHE N N 15 113.137 0.12 . 1 . . . . 93 F N . 17045 1 1133 . 1 1 94 94 ASN H H 1 7.608 0.015 . 1 . . . . 94 N H . 17045 1 1134 . 1 1 94 94 ASN HA H 1 4.032 0.015 . 1 . . . . 94 N HA . 17045 1 1135 . 1 1 94 94 ASN HB2 H 1 3.164 0.015 . 1 . . . . 94 N HB2 . 17045 1 1136 . 1 1 94 94 ASN HB3 H 1 2.029 0.015 . 1 . . . . 94 N HB3 . 17045 1 1137 . 1 1 94 94 ASN HD21 H 1 7.344 0.015 . 1 . . . . 94 N HD21 . 17045 1 1138 . 1 1 94 94 ASN HD22 H 1 6.660 0.015 . 1 . . . . 94 N HD22 . 17045 1 1139 . 1 1 94 94 ASN C C 13 174.037 0.5 . 1 . . . . 94 N C . 17045 1 1140 . 1 1 94 94 ASN CA C 13 52.841 0.5 . 1 . . . . 94 N CA . 17045 1 1141 . 1 1 94 94 ASN CB C 13 36.986 0.5 . 1 . . . . 94 N CB . 17045 1 1142 . 1 1 94 94 ASN N N 15 117.721 0.12 . 1 . . . . 94 N N . 17045 1 1143 . 1 1 94 94 ASN ND2 N 15 109.556 0.12 . 1 . . . . 94 N ND2 . 17045 1 1144 . 1 1 95 95 VAL H H 1 7.715 0.015 . 1 . . . . 95 V H . 17045 1 1145 . 1 1 95 95 VAL HA H 1 3.776 0.015 . 1 . . . . 95 V HA . 17045 1 1146 . 1 1 95 95 VAL HB H 1 1.596 0.015 . 1 . . . . 95 V HB . 17045 1 1147 . 1 1 95 95 VAL HG11 H 1 0.868 0.015 . 2 . . . . 95 V QG1 . 17045 1 1148 . 1 1 95 95 VAL HG12 H 1 0.868 0.015 . 2 . . . . 95 V QG1 . 17045 1 1149 . 1 1 95 95 VAL HG13 H 1 0.868 0.015 . 2 . . . . 95 V QG1 . 17045 1 1150 . 1 1 95 95 VAL HG21 H 1 0.922 0.015 . 2 . . . . 95 V QG2 . 17045 1 1151 . 1 1 95 95 VAL HG22 H 1 0.922 0.015 . 2 . . . . 95 V QG2 . 17045 1 1152 . 1 1 95 95 VAL HG23 H 1 0.922 0.015 . 2 . . . . 95 V QG2 . 17045 1 1153 . 1 1 95 95 VAL C C 13 176.123 0.5 . 1 . . . . 95 V C . 17045 1 1154 . 1 1 95 95 VAL CA C 13 62.930 0.5 . 1 . . . . 95 V CA . 17045 1 1155 . 1 1 95 95 VAL CB C 13 31.220 0.5 . 1 . . . . 95 V CB . 17045 1 1156 . 1 1 95 95 VAL CG1 C 13 23.533 0.5 . 1 . . . . 95 V CG1 . 17045 1 1157 . 1 1 95 95 VAL CG2 C 13 21.611 0.5 . 1 . . . . 95 V CG2 . 17045 1 1158 . 1 1 95 95 VAL N N 15 119.605 0.12 . 1 . . . . 95 V N . 17045 1 1159 . 1 1 96 96 ARG H H 1 8.132 0.015 . 1 . . . . 96 R H . 17045 1 1160 . 1 1 96 96 ARG HA H 1 4.353 0.015 . 1 . . . . 96 R HA . 17045 1 1161 . 1 1 96 96 ARG HB2 H 1 2.157 0.015 . 1 . . . . 96 R HB2 . 17045 1 1162 . 1 1 96 96 ARG HB3 H 1 1.725 0.015 . 1 . . . . 96 R HB3 . 17045 1 1163 . 1 1 96 96 ARG HD2 H 1 3.322 0.015 . 1 . . . . 96 R QD . 17045 1 1164 . 1 1 96 96 ARG HD3 H 1 3.322 0.015 . 1 . . . . 96 R QD . 17045 1 1165 . 1 1 96 96 ARG HG2 H 1 1.878 0.015 . 1 . . . . 96 R QG . 17045 1 1166 . 1 1 96 96 ARG HG3 H 1 1.878 0.015 . 1 . . . . 96 R QG . 17045 1 1167 . 1 1 96 96 ARG C C 13 176.100 0.5 . 1 . . . . 96 R C . 17045 1 1168 . 1 1 96 96 ARG CA C 13 55.724 0.5 . 1 . . . . 96 R CA . 17045 1 1169 . 1 1 96 96 ARG CB C 13 29.298 0.5 . 1 . . . . 96 R CB . 17045 1 1170 . 1 1 96 96 ARG CD C 13 42.751 0.5 . 1 . . . . 96 R CD . 17045 1 1171 . 1 1 96 96 ARG CG C 13 28.337 0.5 . 1 . . . . 96 R CG . 17045 1 1172 . 1 1 96 96 ARG N N 15 127.727 0.12 . 1 . . . . 96 R N . 17045 1 1173 . 1 1 97 97 PRO HA H 1 4.148 0.015 . 1 . . . . 97 P HA . 17045 1 1174 . 1 1 97 97 PRO HB2 H 1 2.341 0.015 . 1 . . . . 97 P HB2 . 17045 1 1175 . 1 1 97 97 PRO HB3 H 1 1.938 0.015 . 1 . . . . 97 P HB3 . 17045 1 1176 . 1 1 97 97 PRO HD2 H 1 3.853 0.015 . 1 . . . . 97 P QD . 17045 1 1177 . 1 1 97 97 PRO HD3 H 1 3.853 0.015 . 1 . . . . 97 P QD . 17045 1 1178 . 1 1 97 97 PRO HG2 H 1 2.178 0.015 . 1 . . . . 97 P HG2 . 17045 1 1179 . 1 1 97 97 PRO HG3 H 1 2.092 0.015 . 1 . . . . 97 P HG3 . 17045 1 1180 . 1 1 97 97 PRO C C 13 178.368 0.5 . 1 . . . . 97 P C . 17045 1 1181 . 1 1 97 97 PRO CA C 13 65.813 0.5 . 1 . . . . 97 P CA . 17045 1 1182 . 1 1 97 97 PRO CB C 13 31.701 0.5 . 1 . . . . 97 P CB . 17045 1 1183 . 1 1 97 97 PRO CD C 13 50.919 0.5 . 1 . . . . 97 P CD . 17045 1 1184 . 1 1 97 97 PRO CG C 13 27.857 0.5 . 1 . . . . 97 P CG . 17045 1 1185 . 1 1 98 98 GLU H H 1 9.689 0.015 . 1 . . . . 98 E H . 17045 1 1186 . 1 1 98 98 GLU HA H 1 4.035 0.015 . 1 . . . . 98 E HA . 17045 1 1187 . 1 1 98 98 GLU HB2 H 1 1.950 0.015 . 1 . . . . 98 E QB . 17045 1 1188 . 1 1 98 98 GLU HB3 H 1 1.950 0.015 . 1 . . . . 98 E QB . 17045 1 1189 . 1 1 98 98 GLU HG2 H 1 2.319 0.015 . 1 . . . . 98 E QG . 17045 1 1190 . 1 1 98 98 GLU HG3 H 1 2.319 0.015 . 1 . . . . 98 E QG . 17045 1 1191 . 1 1 98 98 GLU C C 13 178.333 0.5 . 1 . . . . 98 E C . 17045 1 1192 . 1 1 98 98 GLU CA C 13 60.048 0.5 . 1 . . . . 98 E CA . 17045 1 1193 . 1 1 98 98 GLU CB C 13 28.337 0.5 . 1 . . . . 98 E CB . 17045 1 1194 . 1 1 98 98 GLU CG C 13 36.505 0.5 . 1 . . . . 98 E CG . 17045 1 1195 . 1 1 98 98 GLU N N 15 116.768 0.12 . 1 . . . . 98 E N . 17045 1 1196 . 1 1 99 99 VAL H H 1 7.370 0.015 . 1 . . . . 99 V H . 17045 1 1197 . 1 1 99 99 VAL HA H 1 4.031 0.015 . 1 . . . . 99 V HA . 17045 1 1198 . 1 1 99 99 VAL HB H 1 2.149 0.015 . 1 . . . . 99 V HB . 17045 1 1199 . 1 1 99 99 VAL HG11 H 1 0.893 0.015 . 2 . . . . 99 V QG1 . 17045 1 1200 . 1 1 99 99 VAL HG12 H 1 0.893 0.015 . 2 . . . . 99 V QG1 . 17045 1 1201 . 1 1 99 99 VAL HG13 H 1 0.893 0.015 . 2 . . . . 99 V QG1 . 17045 1 1202 . 1 1 99 99 VAL HG21 H 1 0.780 0.015 . 2 . . . . 99 V QG2 . 17045 1 1203 . 1 1 99 99 VAL HG22 H 1 0.780 0.015 . 2 . . . . 99 V QG2 . 17045 1 1204 . 1 1 99 99 VAL HG23 H 1 0.780 0.015 . 2 . . . . 99 V QG2 . 17045 1 1205 . 1 1 99 99 VAL C C 13 177.356 0.5 . 1 . . . . 99 V C . 17045 1 1206 . 1 1 99 99 VAL CA C 13 64.372 0.5 . 1 . . . . 99 V CA . 17045 1 1207 . 1 1 99 99 VAL CB C 13 31.701 0.5 . 1 . . . . 99 V CB . 17045 1 1208 . 1 1 99 99 VAL CG1 C 13 22.091 0.5 . 1 . . . . 99 V CG1 . 17045 1 1209 . 1 1 99 99 VAL CG2 C 13 20.170 0.5 . 1 . . . . 99 V CG2 . 17045 1 1210 . 1 1 99 99 VAL N N 15 120.781 0.12 . 1 . . . . 99 V N . 17045 1 1211 . 1 1 100 100 VAL H H 1 7.380 0.015 . 1 . . . . 100 V H . 17045 1 1212 . 1 1 100 100 VAL HA H 1 3.181 0.015 . 1 . . . . 100 V HA . 17045 1 1213 . 1 1 100 100 VAL HB H 1 2.029 0.015 . 1 . . . . 100 V HB . 17045 1 1214 . 1 1 100 100 VAL HG11 H 1 0.824 0.015 . 2 . . . . 100 V QG1 . 17045 1 1215 . 1 1 100 100 VAL HG12 H 1 0.824 0.015 . 2 . . . . 100 V QG1 . 17045 1 1216 . 1 1 100 100 VAL HG13 H 1 0.824 0.015 . 2 . . . . 100 V QG1 . 17045 1 1217 . 1 1 100 100 VAL HG21 H 1 0.769 0.015 . 2 . . . . 100 V QG2 . 17045 1 1218 . 1 1 100 100 VAL HG22 H 1 0.769 0.015 . 2 . . . . 100 V QG2 . 17045 1 1219 . 1 1 100 100 VAL HG23 H 1 0.769 0.015 . 2 . . . . 100 V QG2 . 17045 1 1220 . 1 1 100 100 VAL C C 13 178.667 0.5 . 1 . . . . 100 V C . 17045 1 1221 . 1 1 100 100 VAL CA C 13 66.294 0.5 . 1 . . . . 100 V CA . 17045 1 1222 . 1 1 100 100 VAL CB C 13 31.220 0.5 . 1 . . . . 100 V CB . 17045 1 1223 . 1 1 100 100 VAL CG1 C 13 23.052 0.5 . 1 . . . . 100 V CG1 . 17045 1 1224 . 1 1 100 100 VAL CG2 C 13 21.131 0.5 . 1 . . . . 100 V CG2 . 17045 1 1225 . 1 1 100 100 VAL N N 15 118.222 0.12 . 1 . . . . 100 V N . 17045 1 1226 . 1 1 101 101 GLN H H 1 7.793 0.015 . 1 . . . . 101 Q H . 17045 1 1227 . 1 1 101 101 GLN HA H 1 3.969 0.015 . 1 . . . . 101 Q HA . 17045 1 1228 . 1 1 101 101 GLN HB2 H 1 2.032 0.015 . 1 . . . . 101 Q QB . 17045 1 1229 . 1 1 101 101 GLN HB3 H 1 2.032 0.015 . 1 . . . . 101 Q QB . 17045 1 1230 . 1 1 101 101 GLN HE21 H 1 7.481 0.015 . 1 . . . . 101 Q HE21 . 17045 1 1231 . 1 1 101 101 GLN HE22 H 1 6.695 0.015 . 1 . . . . 101 Q HE22 . 17045 1 1232 . 1 1 101 101 GLN HG2 H 1 2.391 0.015 . 1 . . . . 101 Q QG . 17045 1 1233 . 1 1 101 101 GLN HG3 H 1 2.391 0.015 . 1 . . . . 101 Q QG . 17045 1 1234 . 1 1 101 101 GLN C C 13 176.498 0.5 . 1 . . . . 101 Q C . 17045 1 1235 . 1 1 101 101 GLN CA C 13 57.645 0.5 . 1 . . . . 101 Q CA . 17045 1 1236 . 1 1 101 101 GLN CB C 13 28.337 0.5 . 1 . . . . 101 Q CB . 17045 1 1237 . 1 1 101 101 GLN CG C 13 33.622 0.5 . 1 . . . . 101 Q CG . 17045 1 1238 . 1 1 101 101 GLN N N 15 114.759 0.12 . 1 . . . . 101 Q N . 17045 1 1239 . 1 1 101 101 GLN NE2 N 15 112.455 0.12 . 1 . . . . 101 Q NE2 . 17045 1 1240 . 1 1 102 102 GLU H H 1 7.278 0.015 . 1 . . . . 102 E H . 17045 1 1241 . 1 1 102 102 GLU HA H 1 4.116 0.015 . 1 . . . . 102 E HA . 17045 1 1242 . 1 1 102 102 GLU HB2 H 1 2.325 0.015 . 1 . . . . 102 E HB2 . 17045 1 1243 . 1 1 102 102 GLU HB3 H 1 2.078 0.015 . 1 . . . . 102 E HB3 . 17045 1 1244 . 1 1 102 102 GLU HG2 H 1 2.568 0.015 . 1 . . . . 102 E HG2 . 17045 1 1245 . 1 1 102 102 GLU HG3 H 1 2.375 0.015 . 1 . . . . 102 E HG3 . 17045 1 1246 . 1 1 102 102 GLU C C 13 176.038 0.5 . 1 . . . . 102 E C . 17045 1 1247 . 1 1 102 102 GLU CA C 13 55.724 0.5 . 1 . . . . 102 E CA . 17045 1 1248 . 1 1 102 102 GLU CB C 13 30.259 0.5 . 1 . . . . 102 E CB . 17045 1 1249 . 1 1 102 102 GLU CG C 13 35.544 0.5 . 1 . . . . 102 E CG . 17045 1 1250 . 1 1 102 102 GLU N N 15 117.022 0.12 . 1 . . . . 102 E N . 17045 1 1251 . 1 1 103 103 ILE H H 1 6.881 0.015 . 1 . . . . 103 I H . 17045 1 1252 . 1 1 103 103 ILE HA H 1 2.727 0.015 . 1 . . . . 103 I HA . 17045 1 1253 . 1 1 103 103 ILE HB H 1 1.349 0.015 . 1 . . . . 103 I HB . 17045 1 1254 . 1 1 103 103 ILE HD11 H 1 0.330 0.015 . 1 . . . . 103 I QD1 . 17045 1 1255 . 1 1 103 103 ILE HD12 H 1 0.330 0.015 . 1 . . . . 103 I QD1 . 17045 1 1256 . 1 1 103 103 ILE HD13 H 1 0.330 0.015 . 1 . . . . 103 I QD1 . 17045 1 1257 . 1 1 103 103 ILE HG12 H 1 1.306 0.015 . 1 . . . . 103 I HG12 . 17045 1 1258 . 1 1 103 103 ILE HG13 H 1 -0.634 0.015 . 1 . . . . 103 I HG13 . 17045 1 1259 . 1 1 103 103 ILE HG21 H 1 0.373 0.015 . 1 . . . . 103 I QG2 . 17045 1 1260 . 1 1 103 103 ILE HG22 H 1 0.373 0.015 . 1 . . . . 103 I QG2 . 17045 1 1261 . 1 1 103 103 ILE HG23 H 1 0.373 0.015 . 1 . . . . 103 I QG2 . 17045 1 1262 . 1 1 103 103 ILE C C 13 174.964 0.5 . 1 . . . . 103 I C . 17045 1 1263 . 1 1 103 103 ILE CA C 13 60.048 0.5 . 1 . . . . 103 I CA . 17045 1 1264 . 1 1 103 103 ILE CB C 13 37.466 0.5 . 1 . . . . 103 I CB . 17045 1 1265 . 1 1 103 103 ILE CD1 C 13 13.924 0.5 . 1 . . . . 103 I CD1 . 17045 1 1266 . 1 1 103 103 ILE CG1 C 13 25.935 0.5 . 1 . . . . 103 I CG1 . 17045 1 1267 . 1 1 103 103 ILE CG2 C 13 16.326 0.5 . 1 . . . . 103 I CG2 . 17045 1 1268 . 1 1 103 103 ILE N N 15 121.605 0.12 . 1 . . . . 103 I N . 17045 1 1269 . 1 1 104 104 PRO HA H 1 4.267 0.015 . 1 . . . . 104 P HA . 17045 1 1270 . 1 1 104 104 PRO HB2 H 1 2.414 0.015 . 1 . . . . 104 P HB2 . 17045 1 1271 . 1 1 104 104 PRO HB3 H 1 1.831 0.015 . 1 . . . . 104 P HB3 . 17045 1 1272 . 1 1 104 104 PRO HD2 H 1 3.807 0.015 . 1 . . . . 104 P HD2 . 17045 1 1273 . 1 1 104 104 PRO HD3 H 1 3.180 0.015 . 1 . . . . 104 P HD3 . 17045 1 1274 . 1 1 104 104 PRO HG2 H 1 2.154 0.015 . 1 . . . . 104 P HG2 . 17045 1 1275 . 1 1 104 104 PRO HG3 H 1 2.046 0.015 . 1 . . . . 104 P HG3 . 17045 1 1276 . 1 1 104 104 PRO C C 13 178.180 0.5 . 1 . . . . 104 P C . 17045 1 1277 . 1 1 104 104 PRO CA C 13 62.930 0.5 . 1 . . . . 104 P CA . 17045 1 1278 . 1 1 104 104 PRO CB C 13 32.181 0.5 . 1 . . . . 104 P CB . 17045 1 1279 . 1 1 104 104 PRO CD C 13 50.919 0.5 . 1 . . . . 104 P CD . 17045 1 1280 . 1 1 104 104 PRO CG C 13 27.857 0.5 . 1 . . . . 104 P CG . 17045 1 1281 . 1 1 105 105 GLN H H 1 8.671 0.015 . 1 . . . . 105 Q H . 17045 1 1282 . 1 1 105 105 GLN HA H 1 3.924 0.015 . 1 . . . . 105 Q HA . 17045 1 1283 . 1 1 105 105 GLN HB2 H 1 2.016 0.015 . 1 . . . . 105 Q QB . 17045 1 1284 . 1 1 105 105 GLN HB3 H 1 2.016 0.015 . 1 . . . . 105 Q QB . 17045 1 1285 . 1 1 105 105 GLN HE21 H 1 7.436 0.015 . 1 . . . . 105 Q HE21 . 17045 1 1286 . 1 1 105 105 GLN HE22 H 1 6.704 0.015 . 1 . . . . 105 Q HE22 . 17045 1 1287 . 1 1 105 105 GLN HG2 H 1 2.379 0.015 . 1 . . . . 105 Q QG . 17045 1 1288 . 1 1 105 105 GLN HG3 H 1 2.379 0.015 . 1 . . . . 105 Q QG . 17045 1 1289 . 1 1 105 105 GLN C C 13 176.850 0.5 . 1 . . . . 105 Q C . 17045 1 1290 . 1 1 105 105 GLN CA C 13 58.126 0.5 . 1 . . . . 105 Q CA . 17045 1 1291 . 1 1 105 105 GLN CB C 13 28.337 0.5 . 1 . . . . 105 Q CB . 17045 1 1292 . 1 1 105 105 GLN CG C 13 34.103 0.5 . 1 . . . . 105 Q CG . 17045 1 1293 . 1 1 105 105 GLN N N 15 123.348 0.12 . 1 . . . . 105 Q N . 17045 1 1294 . 1 1 105 105 GLN NE2 N 15 111.627 0.12 . 1 . . . . 105 Q NE2 . 17045 1 1295 . 1 1 106 106 GLU H H 1 8.857 0.015 . 1 . . . . 106 E H . 17045 1 1296 . 1 1 106 106 GLU HA H 1 4.137 0.015 . 1 . . . . 106 E HA . 17045 1 1297 . 1 1 106 106 GLU HB2 H 1 1.968 0.015 . 1 . . . . 106 E QB . 17045 1 1298 . 1 1 106 106 GLU HB3 H 1 1.968 0.015 . 1 . . . . 106 E QB . 17045 1 1299 . 1 1 106 106 GLU HG2 H 1 2.194 0.015 . 1 . . . . 106 E QG . 17045 1 1300 . 1 1 106 106 GLU HG3 H 1 2.194 0.015 . 1 . . . . 106 E QG . 17045 1 1301 . 1 1 106 106 GLU C C 13 176.769 0.5 . 1 . . . . 106 E C . 17045 1 1302 . 1 1 106 106 GLU CA C 13 57.165 0.5 . 1 . . . . 106 E CA . 17045 1 1303 . 1 1 106 106 GLU CB C 13 28.818 0.5 . 1 . . . . 106 E CB . 17045 1 1304 . 1 1 106 106 GLU CG C 13 36.025 0.5 . 1 . . . . 106 E CG . 17045 1 1305 . 1 1 106 106 GLU N N 15 115.169 0.12 . 1 . . . . 106 E N . 17045 1 1306 . 1 1 107 107 LEU H H 1 7.286 0.015 . 1 . . . . 107 L H . 17045 1 1307 . 1 1 107 107 LEU HA H 1 4.156 0.015 . 1 . . . . 107 L HA . 17045 1 1308 . 1 1 107 107 LEU HB2 H 1 1.637 0.015 . 1 . . . . 107 L HB2 . 17045 1 1309 . 1 1 107 107 LEU HB3 H 1 1.361 0.015 . 1 . . . . 107 L HB3 . 17045 1 1310 . 1 1 107 107 LEU HD11 H 1 0.986 0.015 . 2 . . . . 107 L QD1 . 17045 1 1311 . 1 1 107 107 LEU HD12 H 1 0.986 0.015 . 2 . . . . 107 L QD1 . 17045 1 1312 . 1 1 107 107 LEU HD13 H 1 0.986 0.015 . 2 . . . . 107 L QD1 . 17045 1 1313 . 1 1 107 107 LEU HD21 H 1 0.924 0.015 . 2 . . . . 107 L QD2 . 17045 1 1314 . 1 1 107 107 LEU HD22 H 1 0.924 0.015 . 2 . . . . 107 L QD2 . 17045 1 1315 . 1 1 107 107 LEU HD23 H 1 0.924 0.015 . 2 . . . . 107 L QD2 . 17045 1 1316 . 1 1 107 107 LEU HG H 1 1.637 0.015 . 1 . . . . 107 L HG . 17045 1 1317 . 1 1 107 107 LEU C C 13 175.472 0.5 . 1 . . . . 107 L C . 17045 1 1318 . 1 1 107 107 LEU CA C 13 55.724 0.5 . 1 . . . . 107 L CA . 17045 1 1319 . 1 1 107 107 LEU CB C 13 42.271 0.5 . 1 . . . . 107 L CB . 17045 1 1320 . 1 1 107 107 LEU CD1 C 13 26.416 0.5 . 1 . . . . 107 L CD1 . 17045 1 1321 . 1 1 107 107 LEU CD2 C 13 24.494 0.5 . 1 . . . . 107 L CD2 . 17045 1 1322 . 1 1 107 107 LEU CG C 13 27.376 0.5 . 1 . . . . 107 L CG . 17045 1 1323 . 1 1 107 107 LEU N N 15 123.212 0.12 . 1 . . . . 107 L N . 17045 1 1324 . 1 1 108 108 THR H H 1 6.969 0.015 . 1 . . . . 108 T H . 17045 1 1325 . 1 1 108 108 THR HA H 1 4.476 0.015 . 1 . . . . 108 T HA . 17045 1 1326 . 1 1 108 108 THR HB H 1 4.597 0.015 . 1 . . . . 108 T HB . 17045 1 1327 . 1 1 108 108 THR HG21 H 1 1.167 0.015 . 1 . . . . 108 T QG2 . 17045 1 1328 . 1 1 108 108 THR HG22 H 1 1.167 0.015 . 1 . . . . 108 T QG2 . 17045 1 1329 . 1 1 108 108 THR HG23 H 1 1.167 0.015 . 1 . . . . 108 T QG2 . 17045 1 1330 . 1 1 108 108 THR C C 13 174.232 0.5 . 1 . . . . 108 T C . 17045 1 1331 . 1 1 108 108 THR CA C 13 58.606 0.5 . 1 . . . . 108 T CA . 17045 1 1332 . 1 1 108 108 THR CB C 13 71.098 0.5 . 1 . . . . 108 T CB . 17045 1 1333 . 1 1 108 108 THR CG2 C 13 21.131 0.5 . 1 . . . . 108 T CG2 . 17045 1 1334 . 1 1 108 108 THR N N 15 113.951 0.12 . 1 . . . . 108 T N . 17045 1 1335 . 1 1 109 109 LEU H H 1 8.255 0.015 . 1 . . . . 109 L H . 17045 1 1336 . 1 1 109 109 LEU HA H 1 3.346 0.015 . 1 . . . . 109 L HA . 17045 1 1337 . 1 1 109 109 LEU HB2 H 1 1.401 0.015 . 1 . . . . 109 L HB2 . 17045 1 1338 . 1 1 109 109 LEU HB3 H 1 0.911 0.015 . 1 . . . . 109 L HB3 . 17045 1 1339 . 1 1 109 109 LEU HD11 H 1 0.117 0.015 . 2 . . . . 109 L QD1 . 17045 1 1340 . 1 1 109 109 LEU HD12 H 1 0.117 0.015 . 2 . . . . 109 L QD1 . 17045 1 1341 . 1 1 109 109 LEU HD13 H 1 0.117 0.015 . 2 . . . . 109 L QD1 . 17045 1 1342 . 1 1 109 109 LEU HD21 H 1 -0.115 0.015 . 2 . . . . 109 L QD2 . 17045 1 1343 . 1 1 109 109 LEU HD22 H 1 -0.115 0.015 . 2 . . . . 109 L QD2 . 17045 1 1344 . 1 1 109 109 LEU HD23 H 1 -0.115 0.015 . 2 . . . . 109 L QD2 . 17045 1 1345 . 1 1 109 109 LEU HG H 1 1.015 0.015 . 1 . . . . 109 L HG . 17045 1 1346 . 1 1 109 109 LEU C C 13 178.283 0.5 . 1 . . . . 109 L C . 17045 1 1347 . 1 1 109 109 LEU CA C 13 57.165 0.5 . 1 . . . . 109 L CA . 17045 1 1348 . 1 1 109 109 LEU CB C 13 40.829 0.5 . 1 . . . . 109 L CB . 17045 1 1349 . 1 1 109 109 LEU CD1 C 13 24.494 0.5 . 1 . . . . 109 L CD1 . 17045 1 1350 . 1 1 109 109 LEU CD2 C 13 22.091 0.5 . 1 . . . . 109 L CD2 . 17045 1 1351 . 1 1 109 109 LEU CG C 13 26.896 0.5 . 1 . . . . 109 L CG . 17045 1 1352 . 1 1 109 109 LEU N N 15 121.886 0.12 . 1 . . . . 109 L N . 17045 1 1353 . 1 1 110 110 ASP H H 1 8.141 0.015 . 1 . . . . 110 D H . 17045 1 1354 . 1 1 110 110 ASP HA H 1 4.122 0.015 . 1 . . . . 110 D HA . 17045 1 1355 . 1 1 110 110 ASP HB2 H 1 2.465 0.015 . 1 . . . . 110 D HB2 . 17045 1 1356 . 1 1 110 110 ASP HB3 H 1 2.431 0.015 . 1 . . . . 110 D HB3 . 17045 1 1357 . 1 1 110 110 ASP C C 13 177.738 0.5 . 1 . . . . 110 D C . 17045 1 1358 . 1 1 110 110 ASP CA C 13 57.645 0.5 . 1 . . . . 110 D CA . 17045 1 1359 . 1 1 110 110 ASP CB C 13 41.310 0.5 . 1 . . . . 110 D CB . 17045 1 1360 . 1 1 110 110 ASP N N 15 116.662 0.12 . 1 . . . . 110 D N . 17045 1 1361 . 1 1 111 111 ALA H H 1 7.625 0.015 . 1 . . . . 111 A H . 17045 1 1362 . 1 1 111 111 ALA HA H 1 3.991 0.015 . 1 . . . . 111 A HA . 17045 1 1363 . 1 1 111 111 ALA HB1 H 1 1.398 0.015 . 1 . . . . 111 A QB . 17045 1 1364 . 1 1 111 111 ALA HB2 H 1 1.398 0.015 . 1 . . . . 111 A QB . 17045 1 1365 . 1 1 111 111 ALA HB3 H 1 1.398 0.015 . 1 . . . . 111 A QB . 17045 1 1366 . 1 1 111 111 ALA C C 13 180.935 0.5 . 1 . . . . 111 A C . 17045 1 1367 . 1 1 111 111 ALA CA C 13 54.763 0.5 . 1 . . . . 111 A CA . 17045 1 1368 . 1 1 111 111 ALA CB C 13 18.728 0.5 . 1 . . . . 111 A CB . 17045 1 1369 . 1 1 111 111 ALA N N 15 120.649 0.12 . 1 . . . . 111 A N . 17045 1 1370 . 1 1 112 112 LEU H H 1 7.522 0.015 . 1 . . . . 112 L H . 17045 1 1371 . 1 1 112 112 LEU HA H 1 4.141 0.015 . 1 . . . . 112 L HA . 17045 1 1372 . 1 1 112 112 LEU HB2 H 1 1.727 0.015 . 1 . . . . 112 L HB2 . 17045 1 1373 . 1 1 112 112 LEU HB3 H 1 1.413 0.015 . 1 . . . . 112 L HB3 . 17045 1 1374 . 1 1 112 112 LEU HD11 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1 1375 . 1 1 112 112 LEU HD12 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1 1376 . 1 1 112 112 LEU HD13 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1 1377 . 1 1 112 112 LEU HD21 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1 1378 . 1 1 112 112 LEU HD22 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1 1379 . 1 1 112 112 LEU HD23 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1 1380 . 1 1 112 112 LEU HG H 1 0.946 0.015 . 1 . . . . 112 L HG . 17045 1 1381 . 1 1 112 112 LEU C C 13 178.784 0.5 . 1 . . . . 112 L C . 17045 1 1382 . 1 1 112 112 LEU CA C 13 57.645 0.5 . 1 . . . . 112 L CA . 17045 1 1383 . 1 1 112 112 LEU CB C 13 42.271 0.5 . 1 . . . . 112 L CB . 17045 1 1384 . 1 1 112 112 LEU CD1 C 13 23.533 0.5 . 1 . . . . 112 L CD1 . 17045 1 1385 . 1 1 112 112 LEU CD2 C 13 23.533 0.5 . 1 . . . . 112 L CD2 . 17045 1 1386 . 1 1 112 112 LEU CG C 13 25.935 0.5 . 1 . . . . 112 L CG . 17045 1 1387 . 1 1 112 112 LEU N N 15 119.518 0.12 . 1 . . . . 112 L N . 17045 1 1388 . 1 1 113 113 LEU H H 1 8.352 0.015 . 1 . . . . 113 L H . 17045 1 1389 . 1 1 113 113 LEU HA H 1 3.803 0.015 . 1 . . . . 113 L HA . 17045 1 1390 . 1 1 113 113 LEU HB2 H 1 1.844 0.015 . 1 . . . . 113 L HB2 . 17045 1 1391 . 1 1 113 113 LEU HB3 H 1 1.431 0.015 . 1 . . . . 113 L HB3 . 17045 1 1392 . 1 1 113 113 LEU HD11 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1 1393 . 1 1 113 113 LEU HD12 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1 1394 . 1 1 113 113 LEU HD13 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1 1395 . 1 1 113 113 LEU HD21 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1 1396 . 1 1 113 113 LEU HD22 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1 1397 . 1 1 113 113 LEU HD23 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1 1398 . 1 1 113 113 LEU HG H 1 1.513 0.015 . 1 . . . . 113 L HG . 17045 1 1399 . 1 1 113 113 LEU C C 13 178.180 0.5 . 1 . . . . 113 L C . 17045 1 1400 . 1 1 113 113 LEU CA C 13 57.645 0.5 . 1 . . . . 113 L CA . 17045 1 1401 . 1 1 113 113 LEU CB C 13 42.271 0.5 . 1 . . . . 113 L CB . 17045 1 1402 . 1 1 113 113 LEU CD1 C 13 25.455 0.5 . 1 . . . . 113 L CD1 . 17045 1 1403 . 1 1 113 113 LEU CD2 C 13 25.455 0.5 . 1 . . . . 113 L CD2 . 17045 1 1404 . 1 1 113 113 LEU CG C 13 26.416 0.5 . 1 . . . . 113 L CG . 17045 1 1405 . 1 1 113 113 LEU N N 15 119.065 0.12 . 1 . . . . 113 L N . 17045 1 1406 . 1 1 114 114 GLU H H 1 7.329 0.015 . 1 . . . . 114 E H . 17045 1 1407 . 1 1 114 114 GLU HA H 1 4.101 0.015 . 1 . . . . 114 E HA . 17045 1 1408 . 1 1 114 114 GLU HB2 H 1 2.035 0.015 . 1 . . . . 114 E HB2 . 17045 1 1409 . 1 1 114 114 GLU HB3 H 1 1.929 0.015 . 1 . . . . 114 E HB3 . 17045 1 1410 . 1 1 114 114 GLU HG2 H 1 2.282 0.015 . 1 . . . . 114 E QG . 17045 1 1411 . 1 1 114 114 GLU HG3 H 1 2.282 0.015 . 1 . . . . 114 E QG . 17045 1 1412 . 1 1 114 114 GLU C C 13 176.836 0.5 . 1 . . . . 114 E C . 17045 1 1413 . 1 1 114 114 GLU CA C 13 56.684 0.5 . 1 . . . . 114 E CA . 17045 1 1414 . 1 1 114 114 GLU CB C 13 30.259 0.5 . 1 . . . . 114 E CB . 17045 1 1415 . 1 1 114 114 GLU CG C 13 36.025 0.5 . 1 . . . . 114 E CG . 17045 1 1416 . 1 1 114 114 GLU N N 15 115.154 0.12 . 1 . . . . 114 E N . 17045 1 1417 . 1 1 115 115 MET H H 1 7.028 0.015 . 1 . . . . 115 M H . 17045 1 1418 . 1 1 115 115 MET HA H 1 4.142 0.015 . 1 . . . . 115 M HA . 17045 1 1419 . 1 1 115 115 MET HB2 H 1 2.148 0.015 . 1 . . . . 115 M HB2 . 17045 1 1420 . 1 1 115 115 MET HB3 H 1 1.918 0.015 . 1 . . . . 115 M HB3 . 17045 1 1421 . 1 1 115 115 MET HE1 H 1 1.976 0.015 . 1 . . . . 115 M QE . 17045 1 1422 . 1 1 115 115 MET HE2 H 1 1.976 0.015 . 1 . . . . 115 M QE . 17045 1 1423 . 1 1 115 115 MET HE3 H 1 1.976 0.015 . 1 . . . . 115 M QE . 17045 1 1424 . 1 1 115 115 MET HG2 H 1 2.844 0.015 . 1 . . . . 115 M HG2 . 17045 1 1425 . 1 1 115 115 MET HG3 H 1 2.646 0.015 . 1 . . . . 115 M HG3 . 17045 1 1426 . 1 1 115 115 MET C C 13 176.338 0.5 . 1 . . . . 115 M C . 17045 1 1427 . 1 1 115 115 MET CA C 13 56.204 0.5 . 1 . . . . 115 M CA . 17045 1 1428 . 1 1 115 115 MET CB C 13 34.103 0.5 . 1 . . . . 115 M CB . 17045 1 1429 . 1 1 115 115 MET CE C 13 16.806 0.5 . 1 . . . . 115 M CE . 17045 1 1430 . 1 1 115 115 MET CG C 13 32.181 0.5 . 1 . . . . 115 M CG . 17045 1 1431 . 1 1 115 115 MET N N 15 118.851 0.12 . 1 . . . . 115 M N . 17045 1 1432 . 1 1 116 116 ASP H H 1 8.451 0.015 . 1 . . . . 116 D H . 17045 1 1433 . 1 1 116 116 ASP HA H 1 4.420 0.015 . 1 . . . . 116 D HA . 17045 1 1434 . 1 1 116 116 ASP HB2 H 1 2.799 0.015 . 1 . . . . 116 D HB2 . 17045 1 1435 . 1 1 116 116 ASP HB3 H 1 2.569 0.015 . 1 . . . . 116 D HB3 . 17045 1 1436 . 1 1 116 116 ASP C C 13 176.629 0.5 . 1 . . . . 116 D C . 17045 1 1437 . 1 1 116 116 ASP CA C 13 54.282 0.5 . 1 . . . . 116 D CA . 17045 1 1438 . 1 1 116 116 ASP CB C 13 42.271 0.5 . 1 . . . . 116 D CB . 17045 1 1439 . 1 1 116 116 ASP N N 15 123.711 0.12 . 1 . . . . 116 D N . 17045 1 1440 . 1 1 117 117 GLU H H 1 8.741 0.015 . 1 . . . . 117 E H . 17045 1 1441 . 1 1 117 117 GLU HA H 1 3.866 0.015 . 1 . . . . 117 E HA . 17045 1 1442 . 1 1 117 117 GLU HB2 H 1 2.024 0.015 . 1 . . . . 117 E HB2 . 17045 1 1443 . 1 1 117 117 GLU HB3 H 1 1.954 0.015 . 1 . . . . 117 E HB3 . 17045 1 1444 . 1 1 117 117 GLU HG2 H 1 2.306 0.015 . 1 . . . . 117 E HG2 . 17045 1 1445 . 1 1 117 117 GLU HG3 H 1 2.191 0.015 . 1 . . . . 117 E HG3 . 17045 1 1446 . 1 1 117 117 GLU C C 13 178.510 0.5 . 1 . . . . 117 E C . 17045 1 1447 . 1 1 117 117 GLU CA C 13 61.009 0.5 . 1 . . . . 117 E CA . 17045 1 1448 . 1 1 117 117 GLU CB C 13 29.779 0.5 . 1 . . . . 117 E CB . 17045 1 1449 . 1 1 117 117 GLU CG C 13 36.505 0.5 . 1 . . . . 117 E CG . 17045 1 1450 . 1 1 117 117 GLU N N 15 123.274 0.12 . 1 . . . . 117 E N . 17045 1 1451 . 1 1 118 118 ALA H H 1 8.275 0.015 . 1 . . . . 118 A H . 17045 1 1452 . 1 1 118 118 ALA HA H 1 4.083 0.015 . 1 . . . . 118 A HA . 17045 1 1453 . 1 1 118 118 ALA HB1 H 1 1.404 0.015 . 1 . . . . 118 A QB . 17045 1 1454 . 1 1 118 118 ALA HB2 H 1 1.404 0.015 . 1 . . . . 118 A QB . 17045 1 1455 . 1 1 118 118 ALA HB3 H 1 1.404 0.015 . 1 . . . . 118 A QB . 17045 1 1456 . 1 1 118 118 ALA C C 13 180.864 0.5 . 1 . . . . 118 A C . 17045 1 1457 . 1 1 118 118 ALA CA C 13 55.243 0.5 . 1 . . . . 118 A CA . 17045 1 1458 . 1 1 118 118 ALA CB C 13 18.248 0.5 . 1 . . . . 118 A CB . 17045 1 1459 . 1 1 118 118 ALA N N 15 121.393 0.12 . 1 . . . . 118 A N . 17045 1 1460 . 1 1 119 119 LYS H H 1 7.710 0.015 . 1 . . . . 119 K H . 17045 1 1461 . 1 1 119 119 LYS HA H 1 4.007 0.015 . 1 . . . . 119 K HA . 17045 1 1462 . 1 1 119 119 LYS HB2 H 1 1.862 0.015 . 1 . . . . 119 K QB . 17045 1 1463 . 1 1 119 119 LYS HB3 H 1 1.862 0.015 . 1 . . . . 119 K QB . 17045 1 1464 . 1 1 119 119 LYS HD2 H 1 1.654 0.015 . 1 . . . . 119 K QD . 17045 1 1465 . 1 1 119 119 LYS HD3 H 1 1.654 0.015 . 1 . . . . 119 K QD . 17045 1 1466 . 1 1 119 119 LYS HE2 H 1 2.937 0.015 . 1 . . . . 119 K QE . 17045 1 1467 . 1 1 119 119 LYS HE3 H 1 2.937 0.015 . 1 . . . . 119 K QE . 17045 1 1468 . 1 1 119 119 LYS HG2 H 1 1.533 0.015 . 1 . . . . 119 K QG . 17045 1 1469 . 1 1 119 119 LYS HG3 H 1 1.533 0.015 . 1 . . . . 119 K QG . 17045 1 1470 . 1 1 119 119 LYS C C 13 178.936 0.5 . 1 . . . . 119 K C . 17045 1 1471 . 1 1 119 119 LYS CA C 13 58.126 0.5 . 1 . . . . 119 K CA . 17045 1 1472 . 1 1 119 119 LYS CB C 13 32.181 0.5 . 1 . . . . 119 K CB . 17045 1 1473 . 1 1 119 119 LYS CD C 13 28.818 0.5 . 1 . . . . 119 K CD . 17045 1 1474 . 1 1 119 119 LYS CE C 13 41.790 0.5 . 1 . . . . 119 K CE . 17045 1 1475 . 1 1 119 119 LYS CG C 13 24.974 0.5 . 1 . . . . 119 K CG . 17045 1 1476 . 1 1 119 119 LYS N N 15 120.814 0.12 . 1 . . . . 119 K N . 17045 1 1477 . 1 1 120 120 ALA H H 1 8.422 0.015 . 1 . . . . 120 A H . 17045 1 1478 . 1 1 120 120 ALA HA H 1 3.910 0.015 . 1 . . . . 120 A HA . 17045 1 1479 . 1 1 120 120 ALA HB1 H 1 1.253 0.015 . 1 . . . . 120 A QB . 17045 1 1480 . 1 1 120 120 ALA HB2 H 1 1.253 0.015 . 1 . . . . 120 A QB . 17045 1 1481 . 1 1 120 120 ALA HB3 H 1 1.253 0.015 . 1 . . . . 120 A QB . 17045 1 1482 . 1 1 120 120 ALA C C 13 178.824 0.5 . 1 . . . . 120 A C . 17045 1 1483 . 1 1 120 120 ALA CA C 13 55.724 0.5 . 1 . . . . 120 A CA . 17045 1 1484 . 1 1 120 120 ALA CB C 13 17.767 0.5 . 1 . . . . 120 A CB . 17045 1 1485 . 1 1 120 120 ALA N N 15 122.186 0.12 . 1 . . . . 120 A N . 17045 1 1486 . 1 1 121 121 LYS H H 1 7.730 0.015 . 1 . . . . 121 K H . 17045 1 1487 . 1 1 121 121 LYS HA H 1 3.652 0.015 . 1 . . . . 121 K HA . 17045 1 1488 . 1 1 121 121 LYS HB2 H 1 1.821 0.015 . 1 . . . . 121 K QB . 17045 1 1489 . 1 1 121 121 LYS HB3 H 1 1.821 0.015 . 1 . . . . 121 K QB . 17045 1 1490 . 1 1 121 121 LYS HD2 H 1 1.638 0.015 . 1 . . . . 121 K QD . 17045 1 1491 . 1 1 121 121 LYS HD3 H 1 1.638 0.015 . 1 . . . . 121 K QD . 17045 1 1492 . 1 1 121 121 LYS HE2 H 1 2.869 0.015 . 1 . . . . 121 K QE . 17045 1 1493 . 1 1 121 121 LYS HE3 H 1 2.869 0.015 . 1 . . . . 121 K QE . 17045 1 1494 . 1 1 121 121 LYS HG2 H 1 1.385 0.015 . 1 . . . . 121 K QG . 17045 1 1495 . 1 1 121 121 LYS HG3 H 1 1.385 0.015 . 1 . . . . 121 K QG . 17045 1 1496 . 1 1 121 121 LYS C C 13 177.812 0.5 . 1 . . . . 121 K C . 17045 1 1497 . 1 1 121 121 LYS CA C 13 60.528 0.5 . 1 . . . . 121 K CA . 17045 1 1498 . 1 1 121 121 LYS CB C 13 32.181 0.5 . 1 . . . . 121 K CB . 17045 1 1499 . 1 1 121 121 LYS CD C 13 29.298 0.5 . 1 . . . . 121 K CD . 17045 1 1500 . 1 1 121 121 LYS CE C 13 41.790 0.5 . 1 . . . . 121 K CE . 17045 1 1501 . 1 1 121 121 LYS CG C 13 24.974 0.5 . 1 . . . . 121 K CG . 17045 1 1502 . 1 1 121 121 LYS N N 15 116.925 0.12 . 1 . . . . 121 K N . 17045 1 1503 . 1 1 122 122 GLU H H 1 7.315 0.015 . 1 . . . . 122 E H . 17045 1 1504 . 1 1 122 122 GLU HA H 1 3.878 0.015 . 1 . . . . 122 E HA . 17045 1 1505 . 1 1 122 122 GLU HB2 H 1 2.003 0.015 . 1 . . . . 122 E QB . 17045 1 1506 . 1 1 122 122 GLU HB3 H 1 2.003 0.015 . 1 . . . . 122 E QB . 17045 1 1507 . 1 1 122 122 GLU HG2 H 1 2.266 0.015 . 1 . . . . 122 E HG2 . 17045 1 1508 . 1 1 122 122 GLU HG3 H 1 2.144 0.015 . 1 . . . . 122 E HG3 . 17045 1 1509 . 1 1 122 122 GLU C C 13 178.996 0.5 . 1 . . . . 122 E C . 17045 1 1510 . 1 1 122 122 GLU CA C 13 58.606 0.5 . 1 . . . . 122 E CA . 17045 1 1511 . 1 1 122 122 GLU CB C 13 29.298 0.5 . 1 . . . . 122 E CB . 17045 1 1512 . 1 1 122 122 GLU CG C 13 36.025 0.5 . 1 . . . . 122 E CG . 17045 1 1513 . 1 1 122 122 GLU N N 15 117.425 0.12 . 1 . . . . 122 E N . 17045 1 1514 . 1 1 123 123 MET H H 1 7.760 0.015 . 1 . . . . 123 M H . 17045 1 1515 . 1 1 123 123 MET HA H 1 3.534 0.015 . 1 . . . . 123 M HA . 17045 1 1516 . 1 1 123 123 MET HB2 H 1 1.638 0.015 . 1 . . . . 123 M HB2 . 17045 1 1517 . 1 1 123 123 MET HB3 H 1 1.129 0.015 . 1 . . . . 123 M HB3 . 17045 1 1518 . 1 1 123 123 MET HE1 H 1 1.963 0.015 . 1 . . . . 123 M QE . 17045 1 1519 . 1 1 123 123 MET HE2 H 1 1.963 0.015 . 1 . . . . 123 M QE . 17045 1 1520 . 1 1 123 123 MET HE3 H 1 1.963 0.015 . 1 . . . . 123 M QE . 17045 1 1521 . 1 1 123 123 MET HG2 H 1 2.197 0.015 . 1 . . . . 123 M HG2 . 17045 1 1522 . 1 1 123 123 MET HG3 H 1 2.024 0.015 . 1 . . . . 123 M HG3 . 17045 1 1523 . 1 1 123 123 MET C C 13 176.096 0.5 . 1 . . . . 123 M C . 17045 1 1524 . 1 1 123 123 MET CA C 13 58.126 0.5 . 1 . . . . 123 M CA . 17045 1 1525 . 1 1 123 123 MET CB C 13 30.740 0.5 . 1 . . . . 123 M CB . 17045 1 1526 . 1 1 123 123 MET CE C 13 17.287 0.5 . 1 . . . . 123 M CE . 17045 1 1527 . 1 1 123 123 MET CG C 13 31.701 0.5 . 1 . . . . 123 M CG . 17045 1 1528 . 1 1 123 123 MET N N 15 119.569 0.12 . 1 . . . . 123 M N . 17045 1 1529 . 1 1 124 124 LEU H H 1 7.846 0.015 . 1 . . . . 124 L H . 17045 1 1530 . 1 1 124 124 LEU HA H 1 3.553 0.015 . 1 . . . . 124 L HA . 17045 1 1531 . 1 1 124 124 LEU HB2 H 1 1.916 0.015 . 1 . . . . 124 L HB2 . 17045 1 1532 . 1 1 124 124 LEU HB3 H 1 1.220 0.015 . 1 . . . . 124 L HB3 . 17045 1 1533 . 1 1 124 124 LEU HD11 H 1 0.789 0.015 . 2 . . . . 124 L QD1 . 17045 1 1534 . 1 1 124 124 LEU HD12 H 1 0.789 0.015 . 2 . . . . 124 L QD1 . 17045 1 1535 . 1 1 124 124 LEU HD13 H 1 0.789 0.015 . 2 . . . . 124 L QD1 . 17045 1 1536 . 1 1 124 124 LEU HD21 H 1 0.901 0.015 . 2 . . . . 124 L QD2 . 17045 1 1537 . 1 1 124 124 LEU HD22 H 1 0.901 0.015 . 2 . . . . 124 L QD2 . 17045 1 1538 . 1 1 124 124 LEU HD23 H 1 0.901 0.015 . 2 . . . . 124 L QD2 . 17045 1 1539 . 1 1 124 124 LEU HG H 1 1.753 0.015 . 1 . . . . 124 L HG . 17045 1 1540 . 1 1 124 124 LEU C C 13 179.387 0.5 . 1 . . . . 124 L C . 17045 1 1541 . 1 1 124 124 LEU CA C 13 58.126 0.5 . 1 . . . . 124 L CA . 17045 1 1542 . 1 1 124 124 LEU CB C 13 41.790 0.5 . 1 . . . . 124 L CB . 17045 1 1543 . 1 1 124 124 LEU CD1 C 13 25.935 0.5 . 1 . . . . 124 L CD1 . 17045 1 1544 . 1 1 124 124 LEU CD2 C 13 23.533 0.5 . 1 . . . . 124 L CD2 . 17045 1 1545 . 1 1 124 124 LEU CG C 13 27.376 0.5 . 1 . . . . 124 L CG . 17045 1 1546 . 1 1 124 124 LEU N N 15 116.935 0.12 . 1 . . . . 124 L N . 17045 1 1547 . 1 1 125 125 ARG H H 1 7.843 0.015 . 1 . . . . 125 R H . 17045 1 1548 . 1 1 125 125 ARG HA H 1 4.062 0.015 . 1 . . . . 125 R HA . 17045 1 1549 . 1 1 125 125 ARG HB2 H 1 1.846 0.015 . 1 . . . . 125 R QB . 17045 1 1550 . 1 1 125 125 ARG HB3 H 1 1.846 0.015 . 1 . . . . 125 R QB . 17045 1 1551 . 1 1 125 125 ARG HD2 H 1 3.178 0.015 . 1 . . . . 125 R QD . 17045 1 1552 . 1 1 125 125 ARG HD3 H 1 3.178 0.015 . 1 . . . . 125 R QD . 17045 1 1553 . 1 1 125 125 ARG HG2 H 1 1.740 0.015 . 1 . . . . 125 R HG2 . 17045 1 1554 . 1 1 125 125 ARG HG3 H 1 1.587 0.015 . 1 . . . . 125 R HG3 . 17045 1 1555 . 1 1 125 125 ARG C C 13 181.128 0.5 . 1 . . . . 125 R C . 17045 1 1556 . 1 1 125 125 ARG CA C 13 58.606 0.5 . 1 . . . . 125 R CA . 17045 1 1557 . 1 1 125 125 ARG CB C 13 29.298 0.5 . 1 . . . . 125 R CB . 17045 1 1558 . 1 1 125 125 ARG CD C 13 42.751 0.5 . 1 . . . . 125 R CD . 17045 1 1559 . 1 1 125 125 ARG CG C 13 27.376 0.5 . 1 . . . . 125 R CG . 17045 1 1560 . 1 1 125 125 ARG N N 15 116.775 0.12 . 1 . . . . 125 R N . 17045 1 1561 . 1 1 126 126 ARG H H 1 7.917 0.015 . 1 . . . . 126 R H . 17045 1 1562 . 1 1 126 126 ARG HA H 1 3.975 0.015 . 1 . . . . 126 R HA . 17045 1 1563 . 1 1 126 126 ARG HB2 H 1 1.862 0.015 . 1 . . . . 126 R QB . 17045 1 1564 . 1 1 126 126 ARG HB3 H 1 1.862 0.015 . 1 . . . . 126 R QB . 17045 1 1565 . 1 1 126 126 ARG HD2 H 1 3.128 0.015 . 1 . . . . 126 R QD . 17045 1 1566 . 1 1 126 126 ARG HD3 H 1 3.128 0.015 . 1 . . . . 126 R QD . 17045 1 1567 . 1 1 126 126 ARG HG2 H 1 1.595 0.015 . 1 . . . . 126 R QG . 17045 1 1568 . 1 1 126 126 ARG HG3 H 1 1.595 0.015 . 1 . . . . 126 R QG . 17045 1 1569 . 1 1 126 126 ARG C C 13 179.083 0.5 . 1 . . . . 126 R C . 17045 1 1570 . 1 1 126 126 ARG CA C 13 59.087 0.5 . 1 . . . . 126 R CA . 17045 1 1571 . 1 1 126 126 ARG CB C 13 29.298 0.5 . 1 . . . . 126 R CB . 17045 1 1572 . 1 1 126 126 ARG CD C 13 43.712 0.5 . 1 . . . . 126 R CD . 17045 1 1573 . 1 1 126 126 ARG CG C 13 27.376 0.5 . 1 . . . . 126 R CG . 17045 1 1574 . 1 1 126 126 ARG N N 15 123.580 0.12 . 1 . . . . 126 R N . 17045 1 1575 . 1 1 127 127 TRP H H 1 7.866 0.015 . 1 . . . . 127 W H . 17045 1 1576 . 1 1 127 127 TRP HA H 1 4.731 0.015 . 1 . . . . 127 W HA . 17045 1 1577 . 1 1 127 127 TRP HB2 H 1 3.438 0.015 . 1 . . . . 127 W HB2 . 17045 1 1578 . 1 1 127 127 TRP HB3 H 1 3.295 0.015 . 1 . . . . 127 W HB3 . 17045 1 1579 . 1 1 127 127 TRP HD1 H 1 7.181 0.015 . 1 . . . . 127 W HD1 . 17045 1 1580 . 1 1 127 127 TRP HE1 H 1 9.412 0.015 . 1 . . . . 127 W HE1 . 17045 1 1581 . 1 1 127 127 TRP HE3 H 1 6.735 0.015 . 1 . . . . 127 W HE3 . 17045 1 1582 . 1 1 127 127 TRP HH2 H 1 7.285 0.015 . 1 . . . . 127 W HH2 . 17045 1 1583 . 1 1 127 127 TRP HZ3 H 1 6.920 0.015 . 1 . . . . 127 W HZ3 . 17045 1 1584 . 1 1 127 127 TRP C C 13 175.124 0.5 . 1 . . . . 127 W C . 17045 1 1585 . 1 1 127 127 TRP CA C 13 55.724 0.5 . 1 . . . . 127 W CA . 17045 1 1586 . 1 1 127 127 TRP CB C 13 28.818 0.5 . 1 . . . . 127 W CB . 17045 1 1587 . 1 1 127 127 TRP N N 15 119.680 0.12 . 1 . . . . 127 W N . 17045 1 1588 . 1 1 127 127 TRP NE1 N 15 126.741 0.12 . 1 . . . . 127 W NE1 . 17045 1 1589 . 1 1 128 128 GLY H H 1 7.678 0.015 . 1 . . . . 128 G H . 17045 1 1590 . 1 1 128 128 GLY HA2 H 1 4.344 0.015 . 1 . . . . 128 G HA2 . 17045 1 1591 . 1 1 128 128 GLY HA3 H 1 3.656 0.015 . 1 . . . . 128 G HA3 . 17045 1 1592 . 1 1 128 128 GLY C C 13 175.190 0.5 . 1 . . . . 128 G C . 17045 1 1593 . 1 1 128 128 GLY CA C 13 44.673 0.5 . 1 . . . . 128 G CA . 17045 1 1594 . 1 1 128 128 GLY N N 15 102.965 0.12 . 1 . . . . 128 G N . 17045 1 1595 . 1 1 129 129 ALA H H 1 8.008 0.015 . 1 . . . . 129 A H . 17045 1 1596 . 1 1 129 129 ALA HA H 1 4.466 0.015 . 1 . . . . 129 A HA . 17045 1 1597 . 1 1 129 129 ALA HB1 H 1 1.232 0.015 . 1 . . . . 129 A QB . 17045 1 1598 . 1 1 129 129 ALA HB2 H 1 1.232 0.015 . 1 . . . . 129 A QB . 17045 1 1599 . 1 1 129 129 ALA HB3 H 1 1.232 0.015 . 1 . . . . 129 A QB . 17045 1 1600 . 1 1 129 129 ALA C C 13 177.719 0.5 . 1 . . . . 129 A C . 17045 1 1601 . 1 1 129 129 ALA CA C 13 52.360 0.5 . 1 . . . . 129 A CA . 17045 1 1602 . 1 1 129 129 ALA CB C 13 18.728 0.5 . 1 . . . . 129 A CB . 17045 1 1603 . 1 1 129 129 ALA N N 15 123.803 0.12 . 1 . . . . 129 A N . 17045 1 1604 . 1 1 130 130 SER H H 1 9.517 0.015 . 1 . . . . 130 S H . 17045 1 1605 . 1 1 130 130 SER HA H 1 4.551 0.015 . 1 . . . . 130 S HA . 17045 1 1606 . 1 1 130 130 SER HB2 H 1 4.022 0.015 . 1 . . . . 130 S QB . 17045 1 1607 . 1 1 130 130 SER HB3 H 1 4.022 0.015 . 1 . . . . 130 S QB . 17045 1 1608 . 1 1 130 130 SER C C 13 175.736 0.5 . 1 . . . . 130 S C . 17045 1 1609 . 1 1 130 130 SER CA C 13 56.684 0.5 . 1 . . . . 130 S CA . 17045 1 1610 . 1 1 130 130 SER CB C 13 65.813 0.5 . 1 . . . . 130 S CB . 17045 1 1611 . 1 1 130 130 SER N N 15 120.247 0.12 . 1 . . . . 130 S N . 17045 1 1612 . 1 1 131 131 THR H H 1 9.064 0.015 . 1 . . . . 131 T H . 17045 1 1613 . 1 1 131 131 THR HA H 1 3.831 0.015 . 1 . . . . 131 T HA . 17045 1 1614 . 1 1 131 131 THR HB H 1 4.139 0.015 . 1 . . . . 131 T HB . 17045 1 1615 . 1 1 131 131 THR HG21 H 1 1.233 0.015 . 1 . . . . 131 T QG2 . 17045 1 1616 . 1 1 131 131 THR HG22 H 1 1.233 0.015 . 1 . . . . 131 T QG2 . 17045 1 1617 . 1 1 131 131 THR HG23 H 1 1.233 0.015 . 1 . . . . 131 T QG2 . 17045 1 1618 . 1 1 131 131 THR C C 13 177.159 0.5 . 1 . . . . 131 T C . 17045 1 1619 . 1 1 131 131 THR CA C 13 66.774 0.5 . 1 . . . . 131 T CA . 17045 1 1620 . 1 1 131 131 THR CB C 13 68.215 0.5 . 1 . . . . 131 T CB . 17045 1 1621 . 1 1 131 131 THR CG2 C 13 22.091 0.5 . 1 . . . . 131 T CG2 . 17045 1 1622 . 1 1 131 131 THR N N 15 118.082 0.12 . 1 . . . . 131 T N . 17045 1 1623 . 1 1 132 132 GLU H H 1 8.630 0.015 . 1 . . . . 132 E H . 17045 1 1624 . 1 1 132 132 GLU HA H 1 4.089 0.015 . 1 . . . . 132 E HA . 17045 1 1625 . 1 1 132 132 GLU HB2 H 1 2.042 0.015 . 1 . . . . 132 E HB2 . 17045 1 1626 . 1 1 132 132 GLU HB3 H 1 1.947 0.015 . 1 . . . . 132 E HB3 . 17045 1 1627 . 1 1 132 132 GLU HG2 H 1 2.313 0.015 . 1 . . . . 132 E QG . 17045 1 1628 . 1 1 132 132 GLU HG3 H 1 2.313 0.015 . 1 . . . . 132 E QG . 17045 1 1629 . 1 1 132 132 GLU C C 13 179.448 0.5 . 1 . . . . 132 E C . 17045 1 1630 . 1 1 132 132 GLU CA C 13 60.048 0.5 . 1 . . . . 132 E CA . 17045 1 1631 . 1 1 132 132 GLU CB C 13 28.818 0.5 . 1 . . . . 132 E CB . 17045 1 1632 . 1 1 132 132 GLU CG C 13 36.986 0.5 . 1 . . . . 132 E CG . 17045 1 1633 . 1 1 132 132 GLU N N 15 121.850 0.12 . 1 . . . . 132 E N . 17045 1 1634 . 1 1 133 133 GLU H H 1 7.837 0.015 . 1 . . . . 133 E H . 17045 1 1635 . 1 1 133 133 GLU HA H 1 3.861 0.015 . 1 . . . . 133 E HA . 17045 1 1636 . 1 1 133 133 GLU HB2 H 1 2.490 0.015 . 1 . . . . 133 E HB2 . 17045 1 1637 . 1 1 133 133 GLU HB3 H 1 1.760 0.015 . 1 . . . . 133 E HB3 . 17045 1 1638 . 1 1 133 133 GLU HG2 H 1 2.490 0.015 . 1 . . . . 133 E HG2 . 17045 1 1639 . 1 1 133 133 GLU HG3 H 1 2.317 0.015 . 1 . . . . 133 E HG3 . 17045 1 1640 . 1 1 133 133 GLU C C 13 178.883 0.5 . 1 . . . . 133 E C . 17045 1 1641 . 1 1 133 133 GLU CA C 13 60.048 0.5 . 1 . . . . 133 E CA . 17045 1 1642 . 1 1 133 133 GLU CB C 13 30.259 0.5 . 1 . . . . 133 E CB . 17045 1 1643 . 1 1 133 133 GLU CG C 13 37.466 0.5 . 1 . . . . 133 E CG . 17045 1 1644 . 1 1 133 133 GLU N N 15 120.583 0.12 . 1 . . . . 133 E N . 17045 1 1645 . 1 1 134 134 CYS H H 1 8.876 0.015 . 1 . . . . 134 C H . 17045 1 1646 . 1 1 134 134 CYS HA H 1 3.880 0.015 . 1 . . . . 134 C HA . 17045 1 1647 . 1 1 134 134 CYS HB2 H 1 3.040 0.015 . 1 . . . . 134 C HB2 . 17045 1 1648 . 1 1 134 134 CYS HB3 H 1 2.774 0.015 . 1 . . . . 134 C HB3 . 17045 1 1649 . 1 1 134 134 CYS C C 13 176.513 0.5 . 1 . . . . 134 C C . 17045 1 1650 . 1 1 134 134 CYS CA C 13 64.372 0.5 . 1 . . . . 134 C CA . 17045 1 1651 . 1 1 134 134 CYS CB C 13 26.416 0.5 . 1 . . . . 134 C CB . 17045 1 1652 . 1 1 134 134 CYS N N 15 116.549 0.12 . 1 . . . . 134 C N . 17045 1 1653 . 1 1 135 135 SER H H 1 7.913 0.015 . 1 . . . . 135 S H . 17045 1 1654 . 1 1 135 135 SER HA H 1 3.900 0.015 . 1 . . . . 135 S HA . 17045 1 1655 . 1 1 135 135 SER HB2 H 1 3.900 0.015 . 1 . . . . 135 S QB . 17045 1 1656 . 1 1 135 135 SER HB3 H 1 3.900 0.015 . 1 . . . . 135 S QB . 17045 1 1657 . 1 1 135 135 SER C C 13 177.120 0.5 . 1 . . . . 135 S C . 17045 1 1658 . 1 1 135 135 SER CA C 13 61.489 0.5 . 1 . . . . 135 S CA . 17045 1 1659 . 1 1 135 135 SER CB C 13 62.450 0.5 . 1 . . . . 135 S CB . 17045 1 1660 . 1 1 135 135 SER N N 15 114.276 0.12 . 1 . . . . 135 S N . 17045 1 1661 . 1 1 136 136 ARG H H 1 7.867 0.015 . 1 . . . . 136 R H . 17045 1 1662 . 1 1 136 136 ARG HA H 1 4.059 0.015 . 1 . . . . 136 R HA . 17045 1 1663 . 1 1 136 136 ARG HB2 H 1 1.944 0.015 . 1 . . . . 136 R HB2 . 17045 1 1664 . 1 1 136 136 ARG HB3 H 1 1.837 0.015 . 1 . . . . 136 R HB3 . 17045 1 1665 . 1 1 136 136 ARG HD2 H 1 3.209 0.015 . 1 . . . . 136 R QD . 17045 1 1666 . 1 1 136 136 ARG HD3 H 1 3.209 0.015 . 1 . . . . 136 R QD . 17045 1 1667 . 1 1 136 136 ARG HG2 H 1 1.737 0.015 . 1 . . . . 136 R QG . 17045 1 1668 . 1 1 136 136 ARG HG3 H 1 1.737 0.015 . 1 . . . . 136 R QG . 17045 1 1669 . 1 1 136 136 ARG C C 13 179.655 0.5 . 1 . . . . 136 R C . 17045 1 1670 . 1 1 136 136 ARG CA C 13 59.567 0.5 . 1 . . . . 136 R CA . 17045 1 1671 . 1 1 136 136 ARG CB C 13 30.259 0.5 . 1 . . . . 136 R CB . 17045 1 1672 . 1 1 136 136 ARG CD C 13 43.712 0.5 . 1 . . . . 136 R CD . 17045 1 1673 . 1 1 136 136 ARG CG C 13 27.857 0.5 . 1 . . . . 136 R CG . 17045 1 1674 . 1 1 136 136 ARG N N 15 121.226 0.12 . 1 . . . . 136 R N . 17045 1 1675 . 1 1 137 137 LEU H H 1 8.432 0.015 . 1 . . . . 137 L H . 17045 1 1676 . 1 1 137 137 LEU HA H 1 3.729 0.015 . 1 . . . . 137 L HA . 17045 1 1677 . 1 1 137 137 LEU HB2 H 1 1.874 0.015 . 1 . . . . 137 L HB2 . 17045 1 1678 . 1 1 137 137 LEU HB3 H 1 1.319 0.015 . 1 . . . . 137 L HB3 . 17045 1 1679 . 1 1 137 137 LEU HD11 H 1 0.786 0.015 . 2 . . . . 137 L QD1 . 17045 1 1680 . 1 1 137 137 LEU HD12 H 1 0.786 0.015 . 2 . . . . 137 L QD1 . 17045 1 1681 . 1 1 137 137 LEU HD13 H 1 0.786 0.015 . 2 . . . . 137 L QD1 . 17045 1 1682 . 1 1 137 137 LEU HD21 H 1 0.417 0.015 . 2 . . . . 137 L QD2 . 17045 1 1683 . 1 1 137 137 LEU HD22 H 1 0.417 0.015 . 2 . . . . 137 L QD2 . 17045 1 1684 . 1 1 137 137 LEU HD23 H 1 0.417 0.015 . 2 . . . . 137 L QD2 . 17045 1 1685 . 1 1 137 137 LEU HG H 1 1.771 0.015 . 1 . . . . 137 L HG . 17045 1 1686 . 1 1 137 137 LEU C C 13 178.991 0.5 . 1 . . . . 137 L C . 17045 1 1687 . 1 1 137 137 LEU CA C 13 57.645 0.5 . 1 . . . . 137 L CA . 17045 1 1688 . 1 1 137 137 LEU CB C 13 41.310 0.5 . 1 . . . . 137 L CB . 17045 1 1689 . 1 1 137 137 LEU CD1 C 13 24.974 0.5 . 1 . . . . 137 L CD1 . 17045 1 1690 . 1 1 137 137 LEU CD2 C 13 22.091 0.5 . 1 . . . . 137 L CD2 . 17045 1 1691 . 1 1 137 137 LEU CG C 13 26.896 0.5 . 1 . . . . 137 L CG . 17045 1 1692 . 1 1 137 137 LEU N N 15 119.629 0.12 . 1 . . . . 137 L N . 17045 1 1693 . 1 1 138 138 GLN H H 1 8.639 0.015 . 1 . . . . 138 Q H . 17045 1 1694 . 1 1 138 138 GLN HA H 1 4.059 0.015 . 1 . . . . 138 Q HA . 17045 1 1695 . 1 1 138 138 GLN HB2 H 1 2.114 0.015 . 1 . . . . 138 Q QB . 17045 1 1696 . 1 1 138 138 GLN HB3 H 1 2.114 0.015 . 1 . . . . 138 Q QB . 17045 1 1697 . 1 1 138 138 GLN HE21 H 1 7.809 0.015 . 1 . . . . 138 Q HE21 . 17045 1 1698 . 1 1 138 138 GLN HE22 H 1 6.588 0.015 . 1 . . . . 138 Q HE22 . 17045 1 1699 . 1 1 138 138 GLN HG2 H 1 2.507 0.015 . 1 . . . . 138 Q HG2 . 17045 1 1700 . 1 1 138 138 GLN HG3 H 1 2.141 0.015 . 1 . . . . 138 Q HG3 . 17045 1 1701 . 1 1 138 138 GLN C C 13 179.632 0.5 . 1 . . . . 138 Q C . 17045 1 1702 . 1 1 138 138 GLN CA C 13 60.528 0.5 . 1 . . . . 138 Q CA . 17045 1 1703 . 1 1 138 138 GLN CB C 13 29.298 0.5 . 1 . . . . 138 Q CB . 17045 1 1704 . 1 1 138 138 GLN CG C 13 35.544 0.5 . 1 . . . . 138 Q CG . 17045 1 1705 . 1 1 138 138 GLN N N 15 118.234 0.12 . 1 . . . . 138 Q N . 17045 1 1706 . 1 1 138 138 GLN NE2 N 15 112.248 0.12 . 1 . . . . 138 Q NE2 . 17045 1 1707 . 1 1 139 139 GLN H H 1 7.827 0.015 . 1 . . . . 139 Q H . 17045 1 1708 . 1 1 139 139 GLN HA H 1 4.084 0.015 . 1 . . . . 139 Q HA . 17045 1 1709 . 1 1 139 139 GLN HB2 H 1 2.143 0.015 . 1 . . . . 139 Q QB . 17045 1 1710 . 1 1 139 139 GLN HB3 H 1 2.143 0.015 . 1 . . . . 139 Q QB . 17045 1 1711 . 1 1 139 139 GLN HE21 H 1 7.302 0.015 . 1 . . . . 139 Q HE21 . 17045 1 1712 . 1 1 139 139 GLN HE22 H 1 6.758 0.015 . 1 . . . . 139 Q HE22 . 17045 1 1713 . 1 1 139 139 GLN HG2 H 1 2.491 0.015 . 1 . . . . 139 Q QG . 17045 1 1714 . 1 1 139 139 GLN HG3 H 1 2.491 0.015 . 1 . . . . 139 Q QG . 17045 1 1715 . 1 1 139 139 GLN C C 13 178.553 0.5 . 1 . . . . 139 Q C . 17045 1 1716 . 1 1 139 139 GLN CA C 13 58.606 0.5 . 1 . . . . 139 Q CA . 17045 1 1717 . 1 1 139 139 GLN CB C 13 27.857 0.5 . 1 . . . . 139 Q CB . 17045 1 1718 . 1 1 139 139 GLN CG C 13 34.583 0.5 . 1 . . . . 139 Q CG . 17045 1 1719 . 1 1 139 139 GLN N N 15 120.067 0.12 . 1 . . . . 139 Q N . 17045 1 1720 . 1 1 139 139 GLN NE2 N 15 111.834 0.12 . 1 . . . . 139 Q NE2 . 17045 1 1721 . 1 1 140 140 ALA H H 1 7.627 0.015 . 1 . . . . 140 A H . 17045 1 1722 . 1 1 140 140 ALA HA H 1 4.028 0.015 . 1 . . . . 140 A HA . 17045 1 1723 . 1 1 140 140 ALA HB1 H 1 0.883 0.015 . 1 . . . . 140 A QB . 17045 1 1724 . 1 1 140 140 ALA HB2 H 1 0.883 0.015 . 1 . . . . 140 A QB . 17045 1 1725 . 1 1 140 140 ALA HB3 H 1 0.883 0.015 . 1 . . . . 140 A QB . 17045 1 1726 . 1 1 140 140 ALA C C 13 181.219 0.5 . 1 . . . . 140 A C . 17045 1 1727 . 1 1 140 140 ALA CA C 13 54.763 0.5 . 1 . . . . 140 A CA . 17045 1 1728 . 1 1 140 140 ALA CB C 13 18.248 0.5 . 1 . . . . 140 A CB . 17045 1 1729 . 1 1 140 140 ALA N N 15 123.937 0.12 . 1 . . . . 140 A N . 17045 1 1730 . 1 1 141 141 LEU H H 1 8.541 0.015 . 1 . . . . 141 L H . 17045 1 1731 . 1 1 141 141 LEU HA H 1 4.044 0.015 . 1 . . . . 141 L HA . 17045 1 1732 . 1 1 141 141 LEU HB2 H 1 2.056 0.015 . 1 . . . . 141 L HB2 . 17045 1 1733 . 1 1 141 141 LEU HB3 H 1 1.372 0.015 . 1 . . . . 141 L HB3 . 17045 1 1734 . 1 1 141 141 LEU HD11 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1 1735 . 1 1 141 141 LEU HD12 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1 1736 . 1 1 141 141 LEU HD13 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1 1737 . 1 1 141 141 LEU HD21 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1 1738 . 1 1 141 141 LEU HD22 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1 1739 . 1 1 141 141 LEU HD23 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1 1740 . 1 1 141 141 LEU HG H 1 0.766 0.015 . 1 . . . . 141 L HG . 17045 1 1741 . 1 1 141 141 LEU C C 13 178.527 0.5 . 1 . . . . 141 L C . 17045 1 1742 . 1 1 141 141 LEU CA C 13 58.126 0.5 . 1 . . . . 141 L CA . 17045 1 1743 . 1 1 141 141 LEU CB C 13 41.310 0.5 . 1 . . . . 141 L CB . 17045 1 1744 . 1 1 141 141 LEU CD1 C 13 23.533 0.5 . 1 . . . . 141 L CD1 . 17045 1 1745 . 1 1 141 141 LEU CD2 C 13 23.533 0.5 . 1 . . . . 141 L CD2 . 17045 1 1746 . 1 1 141 141 LEU CG C 13 24.974 0.5 . 1 . . . . 141 L CG . 17045 1 1747 . 1 1 141 141 LEU N N 15 121.082 0.12 . 1 . . . . 141 L N . 17045 1 1748 . 1 1 142 142 THR H H 1 8.034 0.015 . 1 . . . . 142 T H . 17045 1 1749 . 1 1 142 142 THR HA H 1 3.827 0.015 . 1 . . . . 142 T HA . 17045 1 1750 . 1 1 142 142 THR HB H 1 4.333 0.015 . 1 . . . . 142 T HB . 17045 1 1751 . 1 1 142 142 THR HG21 H 1 1.243 0.015 . 1 . . . . 142 T QG2 . 17045 1 1752 . 1 1 142 142 THR HG22 H 1 1.243 0.015 . 1 . . . . 142 T QG2 . 17045 1 1753 . 1 1 142 142 THR HG23 H 1 1.243 0.015 . 1 . . . . 142 T QG2 . 17045 1 1754 . 1 1 142 142 THR C C 13 175.871 0.5 . 1 . . . . 142 T C . 17045 1 1755 . 1 1 142 142 THR CA C 13 66.774 0.5 . 1 . . . . 142 T CA . 17045 1 1756 . 1 1 142 142 THR CB C 13 68.215 0.5 . 1 . . . . 142 T CB . 17045 1 1757 . 1 1 142 142 THR CG2 C 13 22.091 0.5 . 1 . . . . 142 T CG2 . 17045 1 1758 . 1 1 142 142 THR N N 15 117.097 0.12 . 1 . . . . 142 T N . 17045 1 1759 . 1 1 143 143 CYS H H 1 7.614 0.015 . 1 . . . . 143 C H . 17045 1 1760 . 1 1 143 143 CYS HA H 1 4.067 0.015 . 1 . . . . 143 C HA . 17045 1 1761 . 1 1 143 143 CYS HB2 H 1 3.080 0.015 . 1 . . . . 143 C HB2 . 17045 1 1762 . 1 1 143 143 CYS HB3 H 1 3.038 0.015 . 1 . . . . 143 C HB3 . 17045 1 1763 . 1 1 143 143 CYS C C 13 177.065 0.5 . 1 . . . . 143 C C . 17045 1 1764 . 1 1 143 143 CYS CA C 13 62.450 0.5 . 1 . . . . 143 C CA . 17045 1 1765 . 1 1 143 143 CYS CB C 13 26.416 0.5 . 1 . . . . 143 C CB . 17045 1 1766 . 1 1 143 143 CYS N N 15 118.489 0.12 . 1 . . . . 143 C N . 17045 1 1767 . 1 1 144 144 LEU H H 1 7.507 0.015 . 1 . . . . 144 L H . 17045 1 1768 . 1 1 144 144 LEU HA H 1 4.243 0.015 . 1 . . . . 144 L HA . 17045 1 1769 . 1 1 144 144 LEU HB2 H 1 1.827 0.015 . 1 . . . . 144 L HB2 . 17045 1 1770 . 1 1 144 144 LEU HB3 H 1 1.556 0.015 . 1 . . . . 144 L HB3 . 17045 1 1771 . 1 1 144 144 LEU HD11 H 1 0.811 0.015 . 2 . . . . 144 L QD1 . 17045 1 1772 . 1 1 144 144 LEU HD12 H 1 0.811 0.015 . 2 . . . . 144 L QD1 . 17045 1 1773 . 1 1 144 144 LEU HD13 H 1 0.811 0.015 . 2 . . . . 144 L QD1 . 17045 1 1774 . 1 1 144 144 LEU HD21 H 1 0.706 0.015 . 2 . . . . 144 L QD2 . 17045 1 1775 . 1 1 144 144 LEU HD22 H 1 0.706 0.015 . 2 . . . . 144 L QD2 . 17045 1 1776 . 1 1 144 144 LEU HD23 H 1 0.706 0.015 . 2 . . . . 144 L QD2 . 17045 1 1777 . 1 1 144 144 LEU HG H 1 1.699 0.015 . 1 . . . . 144 L HG . 17045 1 1778 . 1 1 144 144 LEU C C 13 179.163 0.5 . 1 . . . . 144 L C . 17045 1 1779 . 1 1 144 144 LEU CA C 13 57.165 0.5 . 1 . . . . 144 L CA . 17045 1 1780 . 1 1 144 144 LEU CB C 13 42.751 0.5 . 1 . . . . 144 L CB . 17045 1 1781 . 1 1 144 144 LEU CD1 C 13 25.455 0.5 . 1 . . . . 144 L CD1 . 17045 1 1782 . 1 1 144 144 LEU CD2 C 13 25.455 0.5 . 1 . . . . 144 L CD2 . 17045 1 1783 . 1 1 144 144 LEU CG C 13 27.376 0.5 . 1 . . . . 144 L CG . 17045 1 1784 . 1 1 144 144 LEU N N 15 119.600 0.12 . 1 . . . . 144 L N . 17045 1 1785 . 1 1 145 145 ARG H H 1 8.500 0.015 . 1 . . . . 145 R H . 17045 1 1786 . 1 1 145 145 ARG HA H 1 3.902 0.015 . 1 . . . . 145 R HA . 17045 1 1787 . 1 1 145 145 ARG HB2 H 1 1.953 0.015 . 1 . . . . 145 R HB2 . 17045 1 1788 . 1 1 145 145 ARG HB3 H 1 1.867 0.015 . 1 . . . . 145 R HB3 . 17045 1 1789 . 1 1 145 145 ARG HD2 H 1 3.172 0.015 . 1 . . . . 145 R QD . 17045 1 1790 . 1 1 145 145 ARG HD3 H 1 3.172 0.015 . 1 . . . . 145 R QD . 17045 1 1791 . 1 1 145 145 ARG HG2 H 1 1.712 0.015 . 1 . . . . 145 R QG . 17045 1 1792 . 1 1 145 145 ARG HG3 H 1 1.712 0.015 . 1 . . . . 145 R QG . 17045 1 1793 . 1 1 145 145 ARG C C 13 177.005 0.5 . 1 . . . . 145 R C . 17045 1 1794 . 1 1 145 145 ARG CA C 13 59.087 0.5 . 1 . . . . 145 R CA . 17045 1 1795 . 1 1 145 145 ARG CB C 13 30.740 0.5 . 1 . . . . 145 R CB . 17045 1 1796 . 1 1 145 145 ARG CD C 13 43.232 0.5 . 1 . . . . 145 R CD . 17045 1 1797 . 1 1 145 145 ARG CG C 13 28.818 0.5 . 1 . . . . 145 R CG . 17045 1 1798 . 1 1 145 145 ARG N N 15 120.612 0.12 . 1 . . . . 145 R N . 17045 1 1799 . 1 1 146 146 LYS H H 1 7.304 0.015 . 1 . . . . 146 K H . 17045 1 1800 . 1 1 146 146 LYS HA H 1 4.130 0.015 . 1 . . . . 146 K HA . 17045 1 1801 . 1 1 146 146 LYS HB2 H 1 1.965 0.015 . 1 . . . . 146 K HB2 . 17045 1 1802 . 1 1 146 146 LYS HB3 H 1 1.830 0.015 . 1 . . . . 146 K HB3 . 17045 1 1803 . 1 1 146 146 LYS HD2 H 1 1.661 0.015 . 1 . . . . 146 K QD . 17045 1 1804 . 1 1 146 146 LYS HD3 H 1 1.661 0.015 . 1 . . . . 146 K QD . 17045 1 1805 . 1 1 146 146 LYS HE2 H 1 2.951 0.015 . 1 . . . . 146 K QE . 17045 1 1806 . 1 1 146 146 LYS HE3 H 1 2.951 0.015 . 1 . . . . 146 K QE . 17045 1 1807 . 1 1 146 146 LYS HG2 H 1 1.478 0.015 . 1 . . . . 146 K QG . 17045 1 1808 . 1 1 146 146 LYS HG3 H 1 1.478 0.015 . 1 . . . . 146 K QG . 17045 1 1809 . 1 1 146 146 LYS C C 13 177.142 0.5 . 1 . . . . 146 K C . 17045 1 1810 . 1 1 146 146 LYS CA C 13 56.684 0.5 . 1 . . . . 146 K CA . 17045 1 1811 . 1 1 146 146 LYS CB C 13 32.662 0.5 . 1 . . . . 146 K CB . 17045 1 1812 . 1 1 146 146 LYS CD C 13 29.298 0.5 . 1 . . . . 146 K CD . 17045 1 1813 . 1 1 146 146 LYS CE C 13 42.271 0.5 . 1 . . . . 146 K CE . 17045 1 1814 . 1 1 146 146 LYS CG C 13 24.974 0.5 . 1 . . . . 146 K CG . 17045 1 1815 . 1 1 146 146 LYS N N 15 114.754 0.12 . 1 . . . . 146 K N . 17045 1 1816 . 1 1 147 147 VAL H H 1 7.234 0.015 . 1 . . . . 147 V H . 17045 1 1817 . 1 1 147 147 VAL HA H 1 3.901 0.015 . 1 . . . . 147 V HA . 17045 1 1818 . 1 1 147 147 VAL HB H 1 2.201 0.015 . 1 . . . . 147 V HB . 17045 1 1819 . 1 1 147 147 VAL HG11 H 1 1.120 0.015 . 2 . . . . 147 V QG1 . 17045 1 1820 . 1 1 147 147 VAL HG12 H 1 1.120 0.015 . 2 . . . . 147 V QG1 . 17045 1 1821 . 1 1 147 147 VAL HG13 H 1 1.120 0.015 . 2 . . . . 147 V QG1 . 17045 1 1822 . 1 1 147 147 VAL HG21 H 1 1.006 0.015 . 2 . . . . 147 V QG2 . 17045 1 1823 . 1 1 147 147 VAL HG22 H 1 1.006 0.015 . 2 . . . . 147 V QG2 . 17045 1 1824 . 1 1 147 147 VAL HG23 H 1 1.006 0.015 . 2 . . . . 147 V QG2 . 17045 1 1825 . 1 1 147 147 VAL C C 13 175.703 0.5 . 1 . . . . 147 V C . 17045 1 1826 . 1 1 147 147 VAL CA C 13 63.891 0.5 . 1 . . . . 147 V CA . 17045 1 1827 . 1 1 147 147 VAL CB C 13 31.701 0.5 . 1 . . . . 147 V CB . 17045 1 1828 . 1 1 147 147 VAL CG1 C 13 22.091 0.5 . 1 . . . . 147 V CG1 . 17045 1 1829 . 1 1 147 147 VAL CG2 C 13 21.611 0.5 . 1 . . . . 147 V CG2 . 17045 1 1830 . 1 1 147 147 VAL N N 15 120.090 0.12 . 1 . . . . 147 V N . 17045 1 1831 . 1 1 148 148 THR H H 1 8.006 0.015 . 1 . . . . 148 T H . 17045 1 1832 . 1 1 148 148 THR HA H 1 4.523 0.015 . 1 . . . . 148 T HA . 17045 1 1833 . 1 1 148 148 THR HB H 1 4.315 0.015 . 1 . . . . 148 T HB . 17045 1 1834 . 1 1 148 148 THR HG21 H 1 1.164 0.015 . 1 . . . . 148 T QG2 . 17045 1 1835 . 1 1 148 148 THR HG22 H 1 1.164 0.015 . 1 . . . . 148 T QG2 . 17045 1 1836 . 1 1 148 148 THR HG23 H 1 1.164 0.015 . 1 . . . . 148 T QG2 . 17045 1 1837 . 1 1 148 148 THR C C 13 174.020 0.5 . 1 . . . . 148 T C . 17045 1 1838 . 1 1 148 148 THR CA C 13 60.528 0.5 . 1 . . . . 148 T CA . 17045 1 1839 . 1 1 148 148 THR CB C 13 70.618 0.5 . 1 . . . . 148 T CB . 17045 1 1840 . 1 1 148 148 THR CG2 C 13 20.650 0.5 . 1 . . . . 148 T CG2 . 17045 1 1841 . 1 1 148 148 THR N N 15 117.622 0.12 . 1 . . . . 148 T N . 17045 1 1842 . 1 1 149 149 GLY H H 1 8.017 0.015 . 1 . . . . 149 G H . 17045 1 1843 . 1 1 149 149 GLY HA2 H 1 3.893 0.015 . 1 . . . . 149 G HA2 . 17045 1 1844 . 1 1 149 149 GLY HA3 H 1 3.464 0.015 . 1 . . . . 149 G HA3 . 17045 1 1845 . 1 1 149 149 GLY C C 13 179.059 0.5 . 1 . . . . 149 G C . 17045 1 1846 . 1 1 149 149 GLY CA C 13 46.114 0.5 . 1 . . . . 149 G CA . 17045 1 1847 . 1 1 149 149 GLY N N 15 114.270 0.12 . 1 . . . . 149 G N . 17045 1 stop_ save_