data_16098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16098 _Entry.Title ; Solution structure of Apo-form YjaB from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-30 _Entry.Accession_date 2008-12-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jie Lu . . . 16098 2 Xu Wang . . . 16098 3 Changwen Jin . . . 16098 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16098 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GNAT fold' . 16098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 622 16098 '15N chemical shifts' 146 16098 '1H chemical shifts' 1013 16098 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-05-27 2008-12-30 update BMRB 'edit entity/assembly name' 16098 2 . . 2009-05-05 2008-12-30 update BMRB 'complete entry citation' 16098 1 . . 2009-04-17 2008-12-30 original author 'original release' 16098 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KCW 'BMRB Entry Tracking System' 16098 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16098 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19343803 _Citation.Full_citation . _Citation.Title 'Solution structure of Apo-YjaB form Escherichia coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 76 _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 261 _Citation.Page_last 265 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jie Lu . . . 16098 1 2 Xu Wang . . . 16098 1 3 Bin Xia . . . 16098 1 4 Changwen Jin . . . 16098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16098 _Assembly.ID 1 _Assembly.Name 'Apo-form YjaB' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Apo-form YjaB' 1 $entity A . yes native no no . . . 16098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Apo-form YjaB' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVISIRRSRHEEGEELVAIW CRSVDATHDFLSAEYRTELE DLVRSFLPEAPLWVAVNERD QPVGFMLLSGQHMDALFIDP DVRGCGVGRVLVEHALSMAP ELTTNVNEQNEQAVGFYKKV GFKVTGRSEVDDLGKPYPLL NLAYVGA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16464.789 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KCW . "Solution Structure Of Apo-Form Yjab From Escherichia Coli" . . . . . 100.00 147 100.00 100.00 4.23e-103 . . . . 16098 1 2 no DBJ BAE78014 . "predicted acetyltransferase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 147 100.00 100.00 4.23e-103 . . . . 16098 1 3 no DBJ BAI28268 . "predicted acetyltransferase [Escherichia coli O26:H11 str. 11368]" . . . . . 99.32 147 97.26 99.32 6.12e-100 . . . . 16098 1 4 no DBJ BAI33451 . "predicted acetyltransferase [Escherichia coli O103:H2 str. 12009]" . . . . . 99.32 147 97.26 99.32 6.12e-100 . . . . 16098 1 5 no DBJ BAI38569 . "predicted acetyltransferase [Escherichia coli O111:H- str. 11128]" . . . . . 99.32 147 97.26 99.32 6.12e-100 . . . . 16098 1 6 no DBJ BAJ45724 . "hypothetical protein ECDH1ME8569_3868 [Escherichia coli DH1]" . . . . . 100.00 147 100.00 100.00 4.23e-103 . . . . 16098 1 7 no EMBL CAA26570 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 147 100.00 100.00 4.23e-103 . . . . 16098 1 8 no EMBL CAQ34361 . "predicted acetyltransferase [Escherichia coli BL21(DE3)]" . . . . . 99.32 147 100.00 100.00 2.23e-102 . . . . 16098 1 9 no EMBL CAR00982 . "putative acetyltransferase [Escherichia coli IAI1]" . . . . . 99.32 147 97.95 99.32 1.45e-100 . . . . 16098 1 10 no EMBL CAV01265 . "putative acetyltransferase [Escherichia coli 55989]" . . . . . 99.32 147 97.26 99.32 6.12e-100 . . . . 16098 1 11 no EMBL CBJ03773 . "putative acetyltransferase [Escherichia coli ETEC H10407]" . . . . . 100.00 147 100.00 100.00 4.23e-103 . . . . 16098 1 12 no GB AAC43106 . "ORF_f147 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 147 100.00 100.00 4.23e-103 . . . . 16098 1 13 no GB AAC76982 . "GNAT-family putative N-acetyltransferase; acetyl coenzyme A-binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 147 100.00 100.00 4.23e-103 . . . . 16098 1 14 no GB AAZ90685 . "conserved hypothetical protein [Shigella sonnei Ss046]" . . . . . 98.64 147 97.24 97.93 1.34e-97 . . . . 16098 1 15 no GB ABB64225 . "conserved hypothetical protein [Shigella dysenteriae Sd197]" . . . . . 100.00 147 97.28 98.64 8.05e-100 . . . . 16098 1 16 no GB ABV08412 . "acetyltransferase, GNAT family [Escherichia coli HS]" . . . . . 99.32 147 97.26 99.32 6.12e-100 . . . . 16098 1 17 no REF NP_418436 . "GNAT-family putative N-acetyltransferase; acetyl coenzyme A-binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 147 100.00 100.00 4.23e-103 . . . . 16098 1 18 no REF WP_000236960 . "MULTISPECIES: acetyltransferase [Enterobacteriaceae]" . . . . . 99.32 147 97.26 99.32 6.12e-100 . . . . 16098 1 19 no REF WP_000236962 . "acetyltransferase [Escherichia coli]" . . . . . 100.00 147 99.32 99.32 5.22e-102 . . . . 16098 1 20 no REF WP_000236972 . "acetyltransferase [Shigella boydii]" . . . . . 98.64 147 97.24 98.62 2.38e-98 . . . . 16098 1 21 no REF WP_000236973 . "MULTISPECIES: acetyltransferase [Enterobacteriaceae]" . . . . . 100.00 147 97.28 98.64 8.05e-100 . . . . 16098 1 22 no SP P09163 . "RecName: Full=Uncharacterized N-acetyltransferase YjaB" . . . . . 100.00 147 100.00 100.00 4.23e-103 . . . . 16098 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16098 1 2 . VAL . 16098 1 3 . ILE . 16098 1 4 . SER . 16098 1 5 . ILE . 16098 1 6 . ARG . 16098 1 7 . ARG . 16098 1 8 . SER . 16098 1 9 . ARG . 16098 1 10 . HIS . 16098 1 11 . GLU . 16098 1 12 . GLU . 16098 1 13 . GLY . 16098 1 14 . GLU . 16098 1 15 . GLU . 16098 1 16 . LEU . 16098 1 17 . VAL . 16098 1 18 . ALA . 16098 1 19 . ILE . 16098 1 20 . TRP . 16098 1 21 . CYS . 16098 1 22 . ARG . 16098 1 23 . SER . 16098 1 24 . VAL . 16098 1 25 . ASP . 16098 1 26 . ALA . 16098 1 27 . THR . 16098 1 28 . HIS . 16098 1 29 . ASP . 16098 1 30 . PHE . 16098 1 31 . LEU . 16098 1 32 . SER . 16098 1 33 . ALA . 16098 1 34 . GLU . 16098 1 35 . TYR . 16098 1 36 . ARG . 16098 1 37 . THR . 16098 1 38 . GLU . 16098 1 39 . LEU . 16098 1 40 . GLU . 16098 1 41 . ASP . 16098 1 42 . LEU . 16098 1 43 . VAL . 16098 1 44 . ARG . 16098 1 45 . SER . 16098 1 46 . PHE . 16098 1 47 . LEU . 16098 1 48 . PRO . 16098 1 49 . GLU . 16098 1 50 . ALA . 16098 1 51 . PRO . 16098 1 52 . LEU . 16098 1 53 . TRP . 16098 1 54 . VAL . 16098 1 55 . ALA . 16098 1 56 . VAL . 16098 1 57 . ASN . 16098 1 58 . GLU . 16098 1 59 . ARG . 16098 1 60 . ASP . 16098 1 61 . GLN . 16098 1 62 . PRO . 16098 1 63 . VAL . 16098 1 64 . GLY . 16098 1 65 . PHE . 16098 1 66 . MET . 16098 1 67 . LEU . 16098 1 68 . LEU . 16098 1 69 . SER . 16098 1 70 . GLY . 16098 1 71 . GLN . 16098 1 72 . HIS . 16098 1 73 . MET . 16098 1 74 . ASP . 16098 1 75 . ALA . 16098 1 76 . LEU . 16098 1 77 . PHE . 16098 1 78 . ILE . 16098 1 79 . ASP . 16098 1 80 . PRO . 16098 1 81 . ASP . 16098 1 82 . VAL . 16098 1 83 . ARG . 16098 1 84 . GLY . 16098 1 85 . CYS . 16098 1 86 . GLY . 16098 1 87 . VAL . 16098 1 88 . GLY . 16098 1 89 . ARG . 16098 1 90 . VAL . 16098 1 91 . LEU . 16098 1 92 . VAL . 16098 1 93 . GLU . 16098 1 94 . HIS . 16098 1 95 . ALA . 16098 1 96 . LEU . 16098 1 97 . SER . 16098 1 98 . MET . 16098 1 99 . ALA . 16098 1 100 . PRO . 16098 1 101 . GLU . 16098 1 102 . LEU . 16098 1 103 . THR . 16098 1 104 . THR . 16098 1 105 . ASN . 16098 1 106 . VAL . 16098 1 107 . ASN . 16098 1 108 . GLU . 16098 1 109 . GLN . 16098 1 110 . ASN . 16098 1 111 . GLU . 16098 1 112 . GLN . 16098 1 113 . ALA . 16098 1 114 . VAL . 16098 1 115 . GLY . 16098 1 116 . PHE . 16098 1 117 . TYR . 16098 1 118 . LYS . 16098 1 119 . LYS . 16098 1 120 . VAL . 16098 1 121 . GLY . 16098 1 122 . PHE . 16098 1 123 . LYS . 16098 1 124 . VAL . 16098 1 125 . THR . 16098 1 126 . GLY . 16098 1 127 . ARG . 16098 1 128 . SER . 16098 1 129 . GLU . 16098 1 130 . VAL . 16098 1 131 . ASP . 16098 1 132 . ASP . 16098 1 133 . LEU . 16098 1 134 . GLY . 16098 1 135 . LYS . 16098 1 136 . PRO . 16098 1 137 . TYR . 16098 1 138 . PRO . 16098 1 139 . LEU . 16098 1 140 . LEU . 16098 1 141 . ASN . 16098 1 142 . LEU . 16098 1 143 . ALA . 16098 1 144 . TYR . 16098 1 145 . VAL . 16098 1 146 . GLY . 16098 1 147 . ALA . 16098 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16098 1 . VAL 2 2 16098 1 . ILE 3 3 16098 1 . SER 4 4 16098 1 . ILE 5 5 16098 1 . ARG 6 6 16098 1 . ARG 7 7 16098 1 . SER 8 8 16098 1 . ARG 9 9 16098 1 . HIS 10 10 16098 1 . GLU 11 11 16098 1 . GLU 12 12 16098 1 . GLY 13 13 16098 1 . GLU 14 14 16098 1 . GLU 15 15 16098 1 . LEU 16 16 16098 1 . VAL 17 17 16098 1 . ALA 18 18 16098 1 . ILE 19 19 16098 1 . TRP 20 20 16098 1 . CYS 21 21 16098 1 . ARG 22 22 16098 1 . SER 23 23 16098 1 . VAL 24 24 16098 1 . ASP 25 25 16098 1 . ALA 26 26 16098 1 . THR 27 27 16098 1 . HIS 28 28 16098 1 . ASP 29 29 16098 1 . PHE 30 30 16098 1 . LEU 31 31 16098 1 . SER 32 32 16098 1 . ALA 33 33 16098 1 . GLU 34 34 16098 1 . TYR 35 35 16098 1 . ARG 36 36 16098 1 . THR 37 37 16098 1 . GLU 38 38 16098 1 . LEU 39 39 16098 1 . GLU 40 40 16098 1 . ASP 41 41 16098 1 . LEU 42 42 16098 1 . VAL 43 43 16098 1 . ARG 44 44 16098 1 . SER 45 45 16098 1 . PHE 46 46 16098 1 . LEU 47 47 16098 1 . PRO 48 48 16098 1 . GLU 49 49 16098 1 . ALA 50 50 16098 1 . PRO 51 51 16098 1 . LEU 52 52 16098 1 . TRP 53 53 16098 1 . VAL 54 54 16098 1 . ALA 55 55 16098 1 . VAL 56 56 16098 1 . ASN 57 57 16098 1 . GLU 58 58 16098 1 . ARG 59 59 16098 1 . ASP 60 60 16098 1 . GLN 61 61 16098 1 . PRO 62 62 16098 1 . VAL 63 63 16098 1 . GLY 64 64 16098 1 . PHE 65 65 16098 1 . MET 66 66 16098 1 . LEU 67 67 16098 1 . LEU 68 68 16098 1 . SER 69 69 16098 1 . GLY 70 70 16098 1 . GLN 71 71 16098 1 . HIS 72 72 16098 1 . MET 73 73 16098 1 . ASP 74 74 16098 1 . ALA 75 75 16098 1 . LEU 76 76 16098 1 . PHE 77 77 16098 1 . ILE 78 78 16098 1 . ASP 79 79 16098 1 . PRO 80 80 16098 1 . ASP 81 81 16098 1 . VAL 82 82 16098 1 . ARG 83 83 16098 1 . GLY 84 84 16098 1 . CYS 85 85 16098 1 . GLY 86 86 16098 1 . VAL 87 87 16098 1 . GLY 88 88 16098 1 . ARG 89 89 16098 1 . VAL 90 90 16098 1 . LEU 91 91 16098 1 . VAL 92 92 16098 1 . GLU 93 93 16098 1 . HIS 94 94 16098 1 . ALA 95 95 16098 1 . LEU 96 96 16098 1 . SER 97 97 16098 1 . MET 98 98 16098 1 . ALA 99 99 16098 1 . PRO 100 100 16098 1 . GLU 101 101 16098 1 . LEU 102 102 16098 1 . THR 103 103 16098 1 . THR 104 104 16098 1 . ASN 105 105 16098 1 . VAL 106 106 16098 1 . ASN 107 107 16098 1 . GLU 108 108 16098 1 . GLN 109 109 16098 1 . ASN 110 110 16098 1 . GLU 111 111 16098 1 . GLN 112 112 16098 1 . ALA 113 113 16098 1 . VAL 114 114 16098 1 . GLY 115 115 16098 1 . PHE 116 116 16098 1 . TYR 117 117 16098 1 . LYS 118 118 16098 1 . LYS 119 119 16098 1 . VAL 120 120 16098 1 . GLY 121 121 16098 1 . PHE 122 122 16098 1 . LYS 123 123 16098 1 . VAL 124 124 16098 1 . THR 125 125 16098 1 . GLY 126 126 16098 1 . ARG 127 127 16098 1 . SER 128 128 16098 1 . GLU 129 129 16098 1 . VAL 130 130 16098 1 . ASP 131 131 16098 1 . ASP 132 132 16098 1 . LEU 133 133 16098 1 . GLY 134 134 16098 1 . LYS 135 135 16098 1 . PRO 136 136 16098 1 . TYR 137 137 16098 1 . PRO 138 138 16098 1 . LEU 139 139 16098 1 . LEU 140 140 16098 1 . ASN 141 141 16098 1 . LEU 142 142 16098 1 . ALA 143 143 16098 1 . TYR 144 144 16098 1 . VAL 145 145 16098 1 . GLY 146 146 16098 1 . ALA 147 147 16098 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 16098 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . . . . yjaB . . . . 16098 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 16098 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28a . . . . . . 16098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16098 _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 TRIS 'natural abundance' . . . . . . 30 . . mM . . . . 16098 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16098 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16098 1 4 'YjaB protein' '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 16098 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16098 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16098 1 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 16098 _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' 130 . mM 16098 1 pH 7.5 . pH 16098 1 pressure 1 . atm 16098 1 temperature 298 . K 16098 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16098 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16098 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16098 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16098 _Software.ID 2 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16098 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16098 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16098 _Software.ID 3 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16098 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16098 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16098 _Software.ID 4 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16098 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16098 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16098 _Software.ID 5 _Software.Name AMBER _Software.Version 7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16098 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure refinement' 16098 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16098 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16098 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 16098 _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 . . . . . . . . . . . . . . . . 16098 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16098 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16098 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 16098 _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 . . . . . . . . . 16098 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16098 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16098 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 16098 _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' . . . 16098 1 2 '3D 1H-15N NOESY' . . . 16098 1 3 '3D 1H-13C NOESY' . . . 16098 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16098 1 2 $NMRView . . 16098 1 3 $xwinnmr . . 16098 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.225 0.03 . 1 . . . . 1 M HA . 16098 1 2 . 1 1 1 1 MET HB2 H 1 2.179 0.03 . 2 . . . . 1 M HB1 . 16098 1 3 . 1 1 1 1 MET HB3 H 1 2.315 0.03 . 2 . . . . 1 M HB2 . 16098 1 4 . 1 1 1 1 MET HE1 H 1 2.280 0.03 . 1 . . . . 1 M HE1 . 16098 1 5 . 1 1 1 1 MET HE2 H 1 2.280 0.03 . 1 . . . . 1 M HE1 . 16098 1 6 . 1 1 1 1 MET HE3 H 1 2.280 0.03 . 1 . . . . 1 M HE1 . 16098 1 7 . 1 1 1 1 MET HG2 H 1 2.577 0.03 . 2 . . . . 1 M HG1 . 16098 1 8 . 1 1 1 1 MET HG3 H 1 2.710 0.03 . 2 . . . . 1 M HG2 . 16098 1 9 . 1 1 1 1 MET CA C 13 55.683 0.3 . 1 . . . . 1 M CA . 16098 1 10 . 1 1 1 1 MET CB C 13 35.455 0.3 . 1 . . . . 1 M CB . 16098 1 11 . 1 1 1 1 MET CE C 13 17.348 0.3 . 1 . . . . 1 M CE . 16098 1 12 . 1 1 1 1 MET CG C 13 31.205 0.3 . 1 . . . . 1 M CG . 16098 1 13 . 1 1 2 2 VAL HA H 1 4.232 0.03 . 1 . . . . 2 V HA . 16098 1 14 . 1 1 2 2 VAL HB H 1 2.106 0.03 . 1 . . . . 2 V HB . 16098 1 15 . 1 1 2 2 VAL HG11 H 1 1.123 0.03 . 2 . . . . 2 V HG11 . 16098 1 16 . 1 1 2 2 VAL HG12 H 1 1.123 0.03 . 2 . . . . 2 V HG11 . 16098 1 17 . 1 1 2 2 VAL HG13 H 1 1.123 0.03 . 2 . . . . 2 V HG11 . 16098 1 18 . 1 1 2 2 VAL HG21 H 1 1.034 0.03 . 2 . . . . 2 V HG21 . 16098 1 19 . 1 1 2 2 VAL HG22 H 1 1.034 0.03 . 2 . . . . 2 V HG21 . 16098 1 20 . 1 1 2 2 VAL HG23 H 1 1.034 0.03 . 2 . . . . 2 V HG21 . 16098 1 21 . 1 1 2 2 VAL C C 13 175.217 0.3 . 1 . . . . 2 V C . 16098 1 22 . 1 1 2 2 VAL CA C 13 63.185 0.3 . 1 . . . . 2 V CA . 16098 1 23 . 1 1 2 2 VAL CB C 13 32.762 0.3 . 1 . . . . 2 V CB . 16098 1 24 . 1 1 2 2 VAL CG1 C 13 21.378 0.3 . 1 . . . . 2 V CG1 . 16098 1 25 . 1 1 2 2 VAL CG2 C 13 21.378 0.3 . 1 . . . . 2 V CG2 . 16098 1 26 . 1 1 3 3 ILE H H 1 8.394 0.03 . 1 . . . . 3 I HN . 16098 1 27 . 1 1 3 3 ILE HA H 1 5.140 0.03 . 1 . . . . 3 I HA . 16098 1 28 . 1 1 3 3 ILE HB H 1 1.929 0.03 . 1 . . . . 3 I HB . 16098 1 29 . 1 1 3 3 ILE HD11 H 1 0.859 0.03 . 1 . . . . 3 I HD11 . 16098 1 30 . 1 1 3 3 ILE HD12 H 1 0.859 0.03 . 1 . . . . 3 I HD11 . 16098 1 31 . 1 1 3 3 ILE HD13 H 1 0.859 0.03 . 1 . . . . 3 I HD11 . 16098 1 32 . 1 1 3 3 ILE HG12 H 1 1.273 0.03 . 1 . . . . 3 I HG11 . 16098 1 33 . 1 1 3 3 ILE HG13 H 1 1.532 0.03 . 1 . . . . 3 I HG12 . 16098 1 34 . 1 1 3 3 ILE HG21 H 1 0.958 0.03 . 1 . . . . 3 I HG21 . 16098 1 35 . 1 1 3 3 ILE HG22 H 1 0.958 0.03 . 1 . . . . 3 I HG21 . 16098 1 36 . 1 1 3 3 ILE HG23 H 1 0.958 0.03 . 1 . . . . 3 I HG21 . 16098 1 37 . 1 1 3 3 ILE C C 13 176.268 0.3 . 1 . . . . 3 I C . 16098 1 38 . 1 1 3 3 ILE CA C 13 58.702 0.3 . 1 . . . . 3 I CA . 16098 1 39 . 1 1 3 3 ILE CB C 13 39.971 0.3 . 1 . . . . 3 I CB . 16098 1 40 . 1 1 3 3 ILE CD1 C 13 12.982 0.3 . 1 . . . . 3 I CD1 . 16098 1 41 . 1 1 3 3 ILE CG1 C 13 27.357 0.3 . 1 . . . . 3 I CG1 . 16098 1 42 . 1 1 3 3 ILE CG2 C 13 19.252 0.3 . 1 . . . . 3 I CG2 . 16098 1 43 . 1 1 3 3 ILE N N 15 127.166 0.3 . 1 . . . . 3 I N . 16098 1 44 . 1 1 4 4 SER H H 1 8.846 0.03 . 1 . . . . 4 S HN . 16098 1 45 . 1 1 4 4 SER HA H 1 4.950 0.03 . 1 . . . . 4 S HA . 16098 1 46 . 1 1 4 4 SER HB2 H 1 3.808 0.03 . 2 . . . . 4 S HB1 . 16098 1 47 . 1 1 4 4 SER HB3 H 1 3.904 0.03 . 2 . . . . 4 S HB2 . 16098 1 48 . 1 1 4 4 SER C C 13 171.848 0.3 . 1 . . . . 4 S C . 16098 1 49 . 1 1 4 4 SER CA C 13 56.951 0.3 . 1 . . . . 4 S CA . 16098 1 50 . 1 1 4 4 SER CB C 13 65.081 0.3 . 1 . . . . 4 S CB . 16098 1 51 . 1 1 4 4 SER N N 15 121.483 0.3 . 1 . . . . 4 S N . 16098 1 52 . 1 1 5 5 ILE H H 1 8.527 0.03 . 1 . . . . 5 I HN . 16098 1 53 . 1 1 5 5 ILE HA H 1 5.480 0.03 . 1 . . . . 5 I HA . 16098 1 54 . 1 1 5 5 ILE HB H 1 1.521 0.03 . 1 . . . . 5 I HB . 16098 1 55 . 1 1 5 5 ILE HD11 H 1 0.646 0.03 . 1 . . . . 5 I HD11 . 16098 1 56 . 1 1 5 5 ILE HD12 H 1 0.646 0.03 . 1 . . . . 5 I HD11 . 16098 1 57 . 1 1 5 5 ILE HD13 H 1 0.646 0.03 . 1 . . . . 5 I HD11 . 16098 1 58 . 1 1 5 5 ILE HG12 H 1 1.033 0.03 . 1 . . . . 5 I HG11 . 16098 1 59 . 1 1 5 5 ILE HG13 H 1 1.279 0.03 . 1 . . . . 5 I HG12 . 16098 1 60 . 1 1 5 5 ILE HG21 H 1 0.415 0.03 . 1 . . . . 5 I HG21 . 16098 1 61 . 1 1 5 5 ILE HG22 H 1 0.415 0.03 . 1 . . . . 5 I HG21 . 16098 1 62 . 1 1 5 5 ILE HG23 H 1 0.415 0.03 . 1 . . . . 5 I HG21 . 16098 1 63 . 1 1 5 5 ILE C C 13 176.125 0.3 . 1 . . . . 5 I C . 16098 1 64 . 1 1 5 5 ILE CA C 13 58.933 0.3 . 1 . . . . 5 I CA . 16098 1 65 . 1 1 5 5 ILE CB C 13 39.971 0.3 . 1 . . . . 5 I CB . 16098 1 66 . 1 1 5 5 ILE CD1 C 13 13.143 0.3 . 1 . . . . 5 I CD1 . 16098 1 67 . 1 1 5 5 ILE CG1 C 13 27.127 0.3 . 1 . . . . 5 I CG1 . 16098 1 68 . 1 1 5 5 ILE CG2 C 13 17.659 0.3 . 1 . . . . 5 I CG2 . 16098 1 69 . 1 1 5 5 ILE N N 15 121.449 0.3 . 1 . . . . 5 I N . 16098 1 70 . 1 1 6 6 ARG H H 1 9.250 0.03 . 1 . . . . 6 R HN . 16098 1 71 . 1 1 6 6 ARG HA H 1 5.196 0.03 . 1 . . . . 6 R HA . 16098 1 72 . 1 1 6 6 ARG HB2 H 1 1.903 0.03 . 2 . . . . 6 R HB1 . 16098 1 73 . 1 1 6 6 ARG HB3 H 1 2.363 0.03 . 2 . . . . 6 R HB2 . 16098 1 74 . 1 1 6 6 ARG HD2 H 1 3.215 0.03 . 2 . . . . 6 R HD1 . 16098 1 75 . 1 1 6 6 ARG HD3 H 1 3.215 0.03 . 2 . . . . 6 R HD2 . 16098 1 76 . 1 1 6 6 ARG HE H 1 9.131 0.03 . 1 . . . . 6 R HE . 16098 1 77 . 1 1 6 6 ARG HG2 H 1 1.408 0.03 . 2 . . . . 6 R HG1 . 16098 1 78 . 1 1 6 6 ARG HG3 H 1 1.530 0.03 . 2 . . . . 6 R HG2 . 16098 1 79 . 1 1 6 6 ARG HH11 H 1 6.110 0.03 . 1 . . . . 6 R HH11 . 16098 1 80 . 1 1 6 6 ARG C C 13 175.118 0.3 . 1 . . . . 6 R C . 16098 1 81 . 1 1 6 6 ARG CA C 13 54.835 0.3 . 1 . . . . 6 R CA . 16098 1 82 . 1 1 6 6 ARG CB C 13 32.606 0.3 . 1 . . . . 6 R CB . 16098 1 83 . 1 1 6 6 ARG CD C 13 42.965 0.3 . 1 . . . . 6 R CD . 16098 1 84 . 1 1 6 6 ARG CG C 13 25.427 0.3 . 1 . . . . 6 R CG . 16098 1 85 . 1 1 6 6 ARG N N 15 122.280 0.3 . 1 . . . . 6 R N . 16098 1 86 . 1 1 6 6 ARG NE N 15 117.001 0.3 . 1 . . . . 6 R NE . 16098 1 87 . 1 1 7 7 ARG H H 1 8.769 0.03 . 1 . . . . 7 R HN . 16098 1 88 . 1 1 7 7 ARG HA H 1 4.660 0.03 . 1 . . . . 7 R HA . 16098 1 89 . 1 1 7 7 ARG HB2 H 1 1.758 0.03 . 2 . . . . 7 R HB1 . 16098 1 90 . 1 1 7 7 ARG HB3 H 1 1.958 0.03 . 2 . . . . 7 R HB2 . 16098 1 91 . 1 1 7 7 ARG HD2 H 1 2.352 0.03 . 2 . . . . 7 R HD1 . 16098 1 92 . 1 1 7 7 ARG HD3 H 1 2.518 0.03 . 2 . . . . 7 R HD2 . 16098 1 93 . 1 1 7 7 ARG HG2 H 1 1.018 0.03 . 2 . . . . 7 R HG1 . 16098 1 94 . 1 1 7 7 ARG HG3 H 1 1.526 0.03 . 2 . . . . 7 R HG2 . 16098 1 95 . 1 1 7 7 ARG C C 13 178.564 0.3 . 1 . . . . 7 R C . 16098 1 96 . 1 1 7 7 ARG CA C 13 55.347 0.3 . 1 . . . . 7 R CA . 16098 1 97 . 1 1 7 7 ARG CB C 13 30.208 0.3 . 1 . . . . 7 R CB . 16098 1 98 . 1 1 7 7 ARG CD C 13 41.830 0.3 . 1 . . . . 7 R CD . 16098 1 99 . 1 1 7 7 ARG CG C 13 26.955 0.3 . 1 . . . . 7 R CG . 16098 1 100 . 1 1 7 7 ARG N N 15 119.680 0.3 . 1 . . . . 7 R N . 16098 1 101 . 1 1 8 8 SER H H 1 8.112 0.03 . 1 . . . . 8 S HN . 16098 1 102 . 1 1 8 8 SER HA H 1 4.287 0.03 . 1 . . . . 8 S HA . 16098 1 103 . 1 1 8 8 SER HB2 H 1 3.722 0.03 . 2 . . . . 8 S HB1 . 16098 1 104 . 1 1 8 8 SER HB3 H 1 4.028 0.03 . 2 . . . . 8 S HB2 . 16098 1 105 . 1 1 8 8 SER C C 13 173.826 0.3 . 1 . . . . 8 S C . 16098 1 106 . 1 1 8 8 SER CA C 13 58.250 0.3 . 1 . . . . 8 S CA . 16098 1 107 . 1 1 8 8 SER CB C 13 64.056 0.3 . 1 . . . . 8 S CB . 16098 1 108 . 1 1 8 8 SER N N 15 116.617 0.3 . 1 . . . . 8 S N . 16098 1 109 . 1 1 9 9 ARG H H 1 9.438 0.03 . 1 . . . . 9 R HN . 16098 1 110 . 1 1 9 9 ARG HA H 1 4.860 0.03 . 1 . . . . 9 R HA . 16098 1 111 . 1 1 9 9 ARG HB2 H 1 1.701 0.03 . 2 . . . . 9 R HB1 . 16098 1 112 . 1 1 9 9 ARG HB3 H 1 2.231 0.03 . 2 . . . . 9 R HB2 . 16098 1 113 . 1 1 9 9 ARG HD2 H 1 3.297 0.03 . 2 . . . . 9 R HD1 . 16098 1 114 . 1 1 9 9 ARG HD3 H 1 3.421 0.03 . 2 . . . . 9 R HD2 . 16098 1 115 . 1 1 9 9 ARG HG2 H 1 1.713 0.03 . 2 . . . . 9 R HG1 . 16098 1 116 . 1 1 9 9 ARG HG3 H 1 1.713 0.03 . 2 . . . . 9 R HG2 . 16098 1 117 . 1 1 9 9 ARG C C 13 178.441 0.3 . 1 . . . . 9 R C . 16098 1 118 . 1 1 9 9 ARG CA C 13 54.663 0.3 . 1 . . . . 9 R CA . 16098 1 119 . 1 1 9 9 ARG CB C 13 33.000 0.3 . 1 . . . . 9 R CB . 16098 1 120 . 1 1 9 9 ARG CD C 13 43.689 0.3 . 1 . . . . 9 R CD . 16098 1 121 . 1 1 9 9 ARG CG C 13 28.283 0.3 . 1 . . . . 9 R CG . 16098 1 122 . 1 1 9 9 ARG N N 15 120.249 0.3 . 1 . . . . 9 R N . 16098 1 123 . 1 1 10 10 HIS HA H 1 4.444 0.03 . 1 . . . . 10 H HA . 16098 1 124 . 1 1 10 10 HIS HB2 H 1 3.231 0.03 . 2 . . . . 10 H HB1 . 16098 1 125 . 1 1 10 10 HIS HB3 H 1 3.378 0.03 . 2 . . . . 10 H HB2 . 16098 1 126 . 1 1 10 10 HIS HD2 H 1 7.214 0.03 . 1 . . . . 10 H HD2 . 16098 1 127 . 1 1 10 10 HIS C C 13 178.154 0.3 . 1 . . . . 10 H C . 16098 1 128 . 1 1 10 10 HIS CA C 13 59.892 0.3 . 1 . . . . 10 H CA . 16098 1 129 . 1 1 10 10 HIS CB C 13 30.203 0.3 . 1 . . . . 10 H CB . 16098 1 130 . 1 1 10 10 HIS CD2 C 13 119.662 0.3 . 1 . . . . 10 H CD2 . 16098 1 131 . 1 1 11 11 GLU H H 1 9.713 0.03 . 1 . . . . 11 E HN . 16098 1 132 . 1 1 11 11 GLU HA H 1 4.371 0.03 . 1 . . . . 11 E HA . 16098 1 133 . 1 1 11 11 GLU HB2 H 1 2.254 0.03 . 2 . . . . 11 E HB1 . 16098 1 134 . 1 1 11 11 GLU HB3 H 1 2.254 0.03 . 2 . . . . 11 E HB2 . 16098 1 135 . 1 1 11 11 GLU HG2 H 1 2.460 0.03 . 2 . . . . 11 E HG1 . 16098 1 136 . 1 1 11 11 GLU HG3 H 1 2.460 0.03 . 2 . . . . 11 E HG2 . 16098 1 137 . 1 1 11 11 GLU C C 13 177.053 0.3 . 1 . . . . 11 E C . 16098 1 138 . 1 1 11 11 GLU CA C 13 58.830 0.3 . 1 . . . . 11 E CA . 16098 1 139 . 1 1 11 11 GLU CB C 13 28.549 0.3 . 1 . . . . 11 E CB . 16098 1 140 . 1 1 11 11 GLU CG C 13 36.518 0.3 . 1 . . . . 11 E CG . 16098 1 141 . 1 1 11 11 GLU N N 15 116.340 0.3 . 1 . . . . 11 E N . 16098 1 142 . 1 1 12 12 GLU H H 1 7.667 0.03 . 1 . . . . 12 E HN . 16098 1 143 . 1 1 12 12 GLU HA H 1 5.043 0.03 . 1 . . . . 12 E HA . 16098 1 144 . 1 1 12 12 GLU HB2 H 1 2.016 0.03 . 2 . . . . 12 E HB1 . 16098 1 145 . 1 1 12 12 GLU HB3 H 1 2.469 0.03 . 2 . . . . 12 E HB2 . 16098 1 146 . 1 1 12 12 GLU HG2 H 1 2.334 0.03 . 2 . . . . 12 E HG1 . 16098 1 147 . 1 1 12 12 GLU HG3 H 1 2.744 0.03 . 2 . . . . 12 E HG2 . 16098 1 148 . 1 1 12 12 GLU C C 13 176.288 0.3 . 1 . . . . 12 E C . 16098 1 149 . 1 1 12 12 GLU CA C 13 55.518 0.3 . 1 . . . . 12 E CA . 16098 1 150 . 1 1 12 12 GLU CB C 13 29.877 0.3 . 1 . . . . 12 E CB . 16098 1 151 . 1 1 12 12 GLU CG C 13 35.721 0.3 . 1 . . . . 12 E CG . 16098 1 152 . 1 1 12 12 GLU N N 15 118.510 0.3 . 1 . . . . 12 E N . 16098 1 153 . 1 1 13 13 GLY H H 1 7.813 0.03 . 1 . . . . 13 G HN . 16098 1 154 . 1 1 13 13 GLY HA2 H 1 3.610 0.03 . 2 . . . . 13 G HA1 . 16098 1 155 . 1 1 13 13 GLY HA3 H 1 4.017 0.03 . 2 . . . . 13 G HA2 . 16098 1 156 . 1 1 13 13 GLY C C 13 175.043 0.3 . 1 . . . . 13 G C . 16098 1 157 . 1 1 13 13 GLY CA C 13 49.029 0.3 . 1 . . . . 13 G CA . 16098 1 158 . 1 1 13 13 GLY N N 15 108.078 0.3 . 1 . . . . 13 G N . 16098 1 159 . 1 1 14 14 GLU H H 1 8.755 0.03 . 1 . . . . 14 E HN . 16098 1 160 . 1 1 14 14 GLU HA H 1 4.104 0.03 . 1 . . . . 14 E HA . 16098 1 161 . 1 1 14 14 GLU HB2 H 1 2.157 0.03 . 2 . . . . 14 E HB1 . 16098 1 162 . 1 1 14 14 GLU HB3 H 1 2.157 0.03 . 2 . . . . 14 E HB2 . 16098 1 163 . 1 1 14 14 GLU HG2 H 1 2.420 0.03 . 2 . . . . 14 E HG1 . 16098 1 164 . 1 1 14 14 GLU HG3 H 1 2.488 0.03 . 2 . . . . 14 E HG2 . 16098 1 165 . 1 1 14 14 GLU C C 13 179.632 0.3 . 1 . . . . 14 E C . 16098 1 166 . 1 1 14 14 GLU CA C 13 59.868 0.3 . 1 . . . . 14 E CA . 16098 1 167 . 1 1 14 14 GLU CB C 13 29.050 0.3 . 1 . . . . 14 E CB . 16098 1 168 . 1 1 14 14 GLU CG C 13 36.518 0.3 . 1 . . . . 14 E CG . 16098 1 169 . 1 1 14 14 GLU N N 15 119.636 0.3 . 1 . . . . 14 E N . 16098 1 170 . 1 1 15 15 GLU H H 1 8.249 0.03 . 1 . . . . 15 E HN . 16098 1 171 . 1 1 15 15 GLU HA H 1 4.305 0.03 . 1 . . . . 15 E HA . 16098 1 172 . 1 1 15 15 GLU HB2 H 1 2.177 0.03 . 2 . . . . 15 E HB1 . 16098 1 173 . 1 1 15 15 GLU HB3 H 1 2.406 0.03 . 2 . . . . 15 E HB2 . 16098 1 174 . 1 1 15 15 GLU HG2 H 1 2.471 0.03 . 2 . . . . 15 E HG1 . 16098 1 175 . 1 1 15 15 GLU HG3 H 1 2.573 0.03 . 2 . . . . 15 E HG2 . 16098 1 176 . 1 1 15 15 GLU C C 13 179.712 0.3 . 1 . . . . 15 E C . 16098 1 177 . 1 1 15 15 GLU CA C 13 59.574 0.3 . 1 . . . . 15 E CA . 16098 1 178 . 1 1 15 15 GLU CB C 13 29.384 0.3 . 1 . . . . 15 E CB . 16098 1 179 . 1 1 15 15 GLU CG C 13 37.049 0.3 . 1 . . . . 15 E CG . 16098 1 180 . 1 1 15 15 GLU N N 15 121.304 0.3 . 1 . . . . 15 E N . 16098 1 181 . 1 1 16 16 LEU H H 1 8.015 0.03 . 1 . . . . 16 L HN . 16098 1 182 . 1 1 16 16 LEU HA H 1 4.194 0.03 . 1 . . . . 16 L HA . 16098 1 183 . 1 1 16 16 LEU HB2 H 1 0.845 0.03 . 2 . . . . 16 L HB1 . 16098 1 184 . 1 1 16 16 LEU HB3 H 1 1.878 0.03 . 2 . . . . 16 L HB2 . 16098 1 185 . 1 1 16 16 LEU HD11 H 1 0.804 0.03 . 2 . . . . 16 L HD11 . 16098 1 186 . 1 1 16 16 LEU HD12 H 1 0.804 0.03 . 2 . . . . 16 L HD11 . 16098 1 187 . 1 1 16 16 LEU HD13 H 1 0.804 0.03 . 2 . . . . 16 L HD11 . 16098 1 188 . 1 1 16 16 LEU HD21 H 1 0.789 0.03 . 2 . . . . 16 L HD21 . 16098 1 189 . 1 1 16 16 LEU HD22 H 1 0.789 0.03 . 2 . . . . 16 L HD21 . 16098 1 190 . 1 1 16 16 LEU HD23 H 1 0.789 0.03 . 2 . . . . 16 L HD21 . 16098 1 191 . 1 1 16 16 LEU HG H 1 1.955 0.03 . 1 . . . . 16 L HG . 16098 1 192 . 1 1 16 16 LEU C C 13 178.611 0.3 . 1 . . . . 16 L C . 16098 1 193 . 1 1 16 16 LEU CA C 13 57.941 0.3 . 1 . . . . 16 L CA . 16098 1 194 . 1 1 16 16 LEU CB C 13 40.150 0.3 . 1 . . . . 16 L CB . 16098 1 195 . 1 1 16 16 LEU CD1 C 13 23.237 0.3 . 1 . . . . 16 L CD1 . 16098 1 196 . 1 1 16 16 LEU CD2 C 13 26.393 0.3 . 1 . . . . 16 L CD2 . 16098 1 197 . 1 1 16 16 LEU CG C 13 26.496 0.3 . 1 . . . . 16 L CG . 16098 1 198 . 1 1 16 16 LEU N N 15 119.906 0.3 . 1 . . . . 16 L N . 16098 1 199 . 1 1 17 17 VAL H H 1 8.328 0.03 . 1 . . . . 17 V HN . 16098 1 200 . 1 1 17 17 VAL HA H 1 3.535 0.03 . 1 . . . . 17 V HA . 16098 1 201 . 1 1 17 17 VAL HB H 1 2.314 0.03 . 1 . . . . 17 V HB . 16098 1 202 . 1 1 17 17 VAL HG11 H 1 1.049 0.03 . 2 . . . . 17 V HG11 . 16098 1 203 . 1 1 17 17 VAL HG12 H 1 1.049 0.03 . 2 . . . . 17 V HG11 . 16098 1 204 . 1 1 17 17 VAL HG13 H 1 1.049 0.03 . 2 . . . . 17 V HG11 . 16098 1 205 . 1 1 17 17 VAL HG21 H 1 1.025 0.03 . 2 . . . . 17 V HG21 . 16098 1 206 . 1 1 17 17 VAL HG22 H 1 1.025 0.03 . 2 . . . . 17 V HG21 . 16098 1 207 . 1 1 17 17 VAL HG23 H 1 1.025 0.03 . 2 . . . . 17 V HG21 . 16098 1 208 . 1 1 17 17 VAL C C 13 178.489 0.3 . 1 . . . . 17 V C . 16098 1 209 . 1 1 17 17 VAL CA C 13 66.788 0.3 . 1 . . . . 17 V CA . 16098 1 210 . 1 1 17 17 VAL CB C 13 31.953 0.3 . 1 . . . . 17 V CB . 16098 1 211 . 1 1 17 17 VAL CG1 C 13 23.686 0.3 . 1 . . . . 17 V CG1 . 16098 1 212 . 1 1 17 17 VAL CG2 C 13 21.794 0.3 . 1 . . . . 17 V CG2 . 16098 1 213 . 1 1 17 17 VAL N N 15 120.165 0.3 . 1 . . . . 17 V N . 16098 1 214 . 1 1 18 18 ALA H H 1 8.163 0.03 . 1 . . . . 18 A HN . 16098 1 215 . 1 1 18 18 ALA HA H 1 4.319 0.03 . 1 . . . . 18 A HA . 16098 1 216 . 1 1 18 18 ALA HB1 H 1 1.703 0.03 . 1 . . . . 18 A HB1 . 16098 1 217 . 1 1 18 18 ALA HB2 H 1 1.703 0.03 . 1 . . . . 18 A HB1 . 16098 1 218 . 1 1 18 18 ALA HB3 H 1 1.703 0.03 . 1 . . . . 18 A HB1 . 16098 1 219 . 1 1 18 18 ALA C C 13 180.259 0.3 . 1 . . . . 18 A C . 16098 1 220 . 1 1 18 18 ALA CA C 13 56.074 0.3 . 1 . . . . 18 A CA . 16098 1 221 . 1 1 18 18 ALA CB C 13 18.025 0.3 . 1 . . . . 18 A CB . 16098 1 222 . 1 1 18 18 ALA N N 15 122.241 0.3 . 1 . . . . 18 A N . 16098 1 223 . 1 1 19 19 ILE H H 1 7.745 0.03 . 1 . . . . 19 I HN . 16098 1 224 . 1 1 19 19 ILE HA H 1 3.716 0.03 . 1 . . . . 19 I HA . 16098 1 225 . 1 1 19 19 ILE HB H 1 2.372 0.03 . 1 . . . . 19 I HB . 16098 1 226 . 1 1 19 19 ILE HD11 H 1 0.917 0.03 . 1 . . . . 19 I HD11 . 16098 1 227 . 1 1 19 19 ILE HD12 H 1 0.917 0.03 . 1 . . . . 19 I HD11 . 16098 1 228 . 1 1 19 19 ILE HD13 H 1 0.917 0.03 . 1 . . . . 19 I HD11 . 16098 1 229 . 1 1 19 19 ILE HG12 H 1 2.245 0.03 . 1 . . . . 19 I HG11 . 16098 1 230 . 1 1 19 19 ILE HG13 H 1 1.134 0.03 . 1 . . . . 19 I HG12 . 16098 1 231 . 1 1 19 19 ILE HG21 H 1 0.859 0.03 . 1 . . . . 19 I HG21 . 16098 1 232 . 1 1 19 19 ILE HG22 H 1 0.859 0.03 . 1 . . . . 19 I HG21 . 16098 1 233 . 1 1 19 19 ILE HG23 H 1 0.859 0.03 . 1 . . . . 19 I HG21 . 16098 1 234 . 1 1 19 19 ILE C C 13 177.271 0.3 . 1 . . . . 19 I C . 16098 1 235 . 1 1 19 19 ILE CA C 13 66.447 0.3 . 1 . . . . 19 I CA . 16098 1 236 . 1 1 19 19 ILE CB C 13 38.271 0.3 . 1 . . . . 19 I CB . 16098 1 237 . 1 1 19 19 ILE CD1 C 13 14.205 0.3 . 1 . . . . 19 I CD1 . 16098 1 238 . 1 1 19 19 ILE CG1 C 13 29.959 0.3 . 1 . . . . 19 I CG1 . 16098 1 239 . 1 1 19 19 ILE CG2 C 13 16.863 0.3 . 1 . . . . 19 I CG2 . 16098 1 240 . 1 1 19 19 ILE N N 15 118.057 0.3 . 1 . . . . 19 I N . 16098 1 241 . 1 1 20 20 TRP H H 1 8.257 0.03 . 1 . . . . 20 W HN . 16098 1 242 . 1 1 20 20 TRP HA H 1 3.527 0.03 . 1 . . . . 20 W HA . 16098 1 243 . 1 1 20 20 TRP HB2 H 1 3.001 0.03 . 2 . . . . 20 W HB1 . 16098 1 244 . 1 1 20 20 TRP HB3 H 1 3.895 0.03 . 2 . . . . 20 W HB2 . 16098 1 245 . 1 1 20 20 TRP HD1 H 1 7.488 0.03 . 1 . . . . 20 W HD1 . 16098 1 246 . 1 1 20 20 TRP HE3 H 1 7.189 0.03 . 1 . . . . 20 W HE3 . 16098 1 247 . 1 1 20 20 TRP HH2 H 1 6.926 0.03 . 1 . . . . 20 W HH2 . 16098 1 248 . 1 1 20 20 TRP HZ2 H 1 7.120 0.03 . 1 . . . . 20 W HZ2 . 16098 1 249 . 1 1 20 20 TRP HZ3 H 1 7.906 0.03 . 1 . . . . 20 W HZ3 . 16098 1 250 . 1 1 20 20 TRP C C 13 176.506 0.3 . 1 . . . . 20 W C . 16098 1 251 . 1 1 20 20 TRP CA C 13 63.877 0.3 . 1 . . . . 20 W CA . 16098 1 252 . 1 1 20 20 TRP CB C 13 28.502 0.3 . 1 . . . . 20 W CB . 16098 1 253 . 1 1 20 20 TRP CH2 C 13 122.495 0.3 . 1 . . . . 20 W CH2 . 16098 1 254 . 1 1 20 20 TRP CZ2 C 13 114.334 0.3 . 1 . . . . 20 W CZ2 . 16098 1 255 . 1 1 20 20 TRP N N 15 121.088 0.3 . 1 . . . . 20 W N . 16098 1 256 . 1 1 21 21 CYS H H 1 9.090 0.03 . 1 . . . . 21 C HN . 16098 1 257 . 1 1 21 21 CYS HA H 1 3.568 0.03 . 1 . . . . 21 C HA . 16098 1 258 . 1 1 21 21 CYS HB2 H 1 2.929 0.03 . 2 . . . . 21 C HB1 . 16098 1 259 . 1 1 21 21 CYS HB3 H 1 3.286 0.03 . 2 . . . . 21 C HB2 . 16098 1 260 . 1 1 21 21 CYS C C 13 176.506 0.3 . 1 . . . . 21 C C . 16098 1 261 . 1 1 21 21 CYS CA C 13 63.611 0.3 . 1 . . . . 21 C CA . 16098 1 262 . 1 1 21 21 CYS CB C 13 27.487 0.3 . 1 . . . . 21 C CB . 16098 1 263 . 1 1 21 21 CYS N N 15 115.906 0.3 . 1 . . . . 21 C N . 16098 1 264 . 1 1 22 22 ARG H H 1 8.333 0.03 . 1 . . . . 22 R HN . 16098 1 265 . 1 1 22 22 ARG HA H 1 4.102 0.03 . 1 . . . . 22 R HA . 16098 1 266 . 1 1 22 22 ARG HB2 H 1 1.751 0.03 . 2 . . . . 22 R HB1 . 16098 1 267 . 1 1 22 22 ARG HB3 H 1 1.902 0.03 . 2 . . . . 22 R HB2 . 16098 1 268 . 1 1 22 22 ARG HD2 H 1 3.359 0.03 . 2 . . . . 22 R HD1 . 16098 1 269 . 1 1 22 22 ARG HE H 1 8.590 0.03 . 1 . . . . 22 R HE . 16098 1 270 . 1 1 22 22 ARG HG2 H 1 1.791 0.03 . 2 . . . . 22 R HG1 . 16098 1 271 . 1 1 22 22 ARG HG3 H 1 2.028 0.03 . 2 . . . . 22 R HG2 . 16098 1 272 . 1 1 22 22 ARG C C 13 179.927 0.3 . 1 . . . . 22 R C . 16098 1 273 . 1 1 22 22 ARG CA C 13 59.728 0.3 . 1 . . . . 22 R CA . 16098 1 274 . 1 1 22 22 ARG CB C 13 31.166 0.3 . 1 . . . . 22 R CB . 16098 1 275 . 1 1 22 22 ARG CD C 13 43.615 0.3 . 1 . . . . 22 R CD . 16098 1 276 . 1 1 22 22 ARG CG C 13 29.300 0.3 . 1 . . . . 22 R CG . 16098 1 277 . 1 1 22 22 ARG N N 15 116.520 0.3 . 1 . . . . 22 R N . 16098 1 278 . 1 1 22 22 ARG NE N 15 113.218 0.3 . 1 . . . . 22 R NE . 16098 1 279 . 1 1 23 23 SER H H 1 8.710 0.03 . 1 . . . . 23 S HN . 16098 1 280 . 1 1 23 23 SER HA H 1 4.286 0.03 . 1 . . . . 23 S HA . 16098 1 281 . 1 1 23 23 SER HB2 H 1 4.075 0.03 . 2 . . . . 23 S HB1 . 16098 1 282 . 1 1 23 23 SER HB3 H 1 4.216 0.03 . 2 . . . . 23 S HB2 . 16098 1 283 . 1 1 23 23 SER C C 13 179.927 0.3 . 1 . . . . 23 S C . 16098 1 284 . 1 1 23 23 SER CA C 13 62.343 0.3 . 1 . . . . 23 S CA . 16098 1 285 . 1 1 23 23 SER CB C 13 64.142 0.3 . 1 . . . . 23 S CB . 16098 1 286 . 1 1 23 23 SER N N 15 114.634 0.3 . 1 . . . . 23 S N . 16098 1 287 . 1 1 24 24 VAL H H 1 8.033 0.03 . 1 . . . . 24 V HN . 16098 1 288 . 1 1 24 24 VAL HA H 1 3.565 0.03 . 1 . . . . 24 V HA . 16098 1 289 . 1 1 24 24 VAL HB H 1 1.105 0.03 . 1 . . . . 24 V HB . 16098 1 290 . 1 1 24 24 VAL HG11 H 1 0.025 0.03 . 2 . . . . 24 V HG11 . 16098 1 291 . 1 1 24 24 VAL HG12 H 1 0.025 0.03 . 2 . . . . 24 V HG11 . 16098 1 292 . 1 1 24 24 VAL HG13 H 1 0.025 0.03 . 2 . . . . 24 V HG11 . 16098 1 293 . 1 1 24 24 VAL HG21 H 1 -0.383 0.03 . 2 . . . . 24 V HG21 . 16098 1 294 . 1 1 24 24 VAL HG22 H 1 -0.383 0.03 . 2 . . . . 24 V HG21 . 16098 1 295 . 1 1 24 24 VAL HG23 H 1 -0.383 0.03 . 2 . . . . 24 V HG21 . 16098 1 296 . 1 1 24 24 VAL CA C 13 65.866 0.3 . 1 . . . . 24 V CA . 16098 1 297 . 1 1 24 24 VAL CB C 13 30.818 0.3 . 1 . . . . 24 V CB . 16098 1 298 . 1 1 24 24 VAL CG1 C 13 20.540 0.3 . 1 . . . . 24 V CG1 . 16098 1 299 . 1 1 24 24 VAL CG2 C 13 21.090 0.3 . 1 . . . . 24 V CG2 . 16098 1 300 . 1 1 25 25 ASP H H 1 8.145 0.03 . 1 . . . . 25 D HN . 16098 1 301 . 1 1 25 25 ASP HA H 1 4.485 0.03 . 1 . . . . 25 D HA . 16098 1 302 . 1 1 25 25 ASP HB2 H 1 2.703 0.03 . 2 . . . . 25 D HB1 . 16098 1 303 . 1 1 25 25 ASP HB3 H 1 2.747 0.03 . 2 . . . . 25 D HB2 . 16098 1 304 . 1 1 25 25 ASP CA C 13 57.054 0.3 . 1 . . . . 25 D CA . 16098 1 305 . 1 1 25 25 ASP CB C 13 39.785 0.3 . 1 . . . . 25 D CB . 16098 1 306 . 1 1 26 26 ALA H H 1 7.583 0.03 . 1 . . . . 26 A HN . 16098 1 307 . 1 1 26 26 ALA HA H 1 4.583 0.03 . 1 . . . . 26 A HA . 16098 1 308 . 1 1 26 26 ALA HB1 H 1 1.765 0.03 . 1 . . . . 26 A HB1 . 16098 1 309 . 1 1 26 26 ALA HB2 H 1 1.765 0.03 . 1 . . . . 26 A HB1 . 16098 1 310 . 1 1 26 26 ALA HB3 H 1 1.765 0.03 . 1 . . . . 26 A HB1 . 16098 1 311 . 1 1 26 26 ALA CA C 13 54.225 0.3 . 1 . . . . 26 A CA . 16098 1 312 . 1 1 26 26 ALA CB C 13 20.001 0.3 . 1 . . . . 26 A CB . 16098 1 313 . 1 1 26 26 ALA N N 15 119.259 0.3 . 1 . . . . 26 A N . 16098 1 314 . 1 1 27 27 THR H H 1 8.250 0.03 . 1 . . . . 27 T HN . 16098 1 315 . 1 1 27 27 THR HA H 1 4.925 0.03 . 1 . . . . 27 T HA . 16098 1 316 . 1 1 27 27 THR HB H 1 4.753 0.03 . 1 . . . . 27 T HB . 16098 1 317 . 1 1 27 27 THR HG21 H 1 1.378 0.03 . 1 . . . . 27 T HG21 . 16098 1 318 . 1 1 27 27 THR HG22 H 1 1.378 0.03 . 1 . . . . 27 T HG21 . 16098 1 319 . 1 1 27 27 THR HG23 H 1 1.378 0.03 . 1 . . . . 27 T HG21 . 16098 1 320 . 1 1 27 27 THR CA C 13 62.543 0.3 . 1 . . . . 27 T CA . 16098 1 321 . 1 1 27 27 THR CB C 13 72.275 0.3 . 1 . . . . 27 T CB . 16098 1 322 . 1 1 27 27 THR CG2 C 13 21.725 0.3 . 1 . . . . 27 T CG2 . 16098 1 323 . 1 1 28 28 HIS H H 1 8.945 0.03 . 1 . . . . 28 H HN . 16098 1 324 . 1 1 28 28 HIS HA H 1 4.826 0.03 . 1 . . . . 28 H HA . 16098 1 325 . 1 1 28 28 HIS HB2 H 1 3.133 0.03 . 2 . . . . 28 H HB1 . 16098 1 326 . 1 1 28 28 HIS HB3 H 1 2.664 0.03 . 2 . . . . 28 H HB2 . 16098 1 327 . 1 1 28 28 HIS HE1 H 1 7.853 0.03 . 1 . . . . 28 H HE1 . 16098 1 328 . 1 1 28 28 HIS C C 13 176.670 0.3 . 1 . . . . 28 H C . 16098 1 329 . 1 1 28 28 HIS CA C 13 54.198 0.3 . 1 . . . . 28 H CA . 16098 1 330 . 1 1 28 28 HIS CB C 13 27.400 0.3 . 1 . . . . 28 H CB . 16098 1 331 . 1 1 28 28 HIS CE1 C 13 138.775 0.3 . 1 . . . . 28 H CE1 . 16098 1 332 . 1 1 28 28 HIS N N 15 124.140 0.3 . 1 . . . . 28 H N . 16098 1 333 . 1 1 29 29 ASP H H 1 8.405 0.03 . 1 . . . . 29 D HN . 16098 1 334 . 1 1 29 29 ASP HA H 1 4.420 0.03 . 1 . . . . 29 D HA . 16098 1 335 . 1 1 29 29 ASP HB2 H 1 2.815 0.03 . 2 . . . . 29 D HB1 . 16098 1 336 . 1 1 29 29 ASP HB3 H 1 3.022 0.03 . 2 . . . . 29 D HB2 . 16098 1 337 . 1 1 29 29 ASP C C 13 175.187 0.3 . 1 . . . . 29 D C . 16098 1 338 . 1 1 29 29 ASP CA C 13 55.908 0.3 . 1 . . . . 29 D CA . 16098 1 339 . 1 1 29 29 ASP CB C 13 39.705 0.3 . 1 . . . . 29 D CB . 16098 1 340 . 1 1 29 29 ASP N N 15 119.745 0.3 . 1 . . . . 29 D N . 16098 1 341 . 1 1 30 30 PHE H H 1 6.746 0.03 . 1 . . . . 30 F HN . 16098 1 342 . 1 1 30 30 PHE HA H 1 4.782 0.03 . 1 . . . . 30 F HA . 16098 1 343 . 1 1 30 30 PHE HB2 H 1 3.260 0.03 . 2 . . . . 30 F HB1 . 16098 1 344 . 1 1 30 30 PHE HB3 H 1 3.640 0.03 . 2 . . . . 30 F HB2 . 16098 1 345 . 1 1 30 30 PHE HD1 H 1 7.365 0.03 . 3 . . . . 30 F HD1 . 16098 1 346 . 1 1 30 30 PHE HE1 H 1 7.249 0.03 . 3 . . . . 30 F HE1 . 16098 1 347 . 1 1 30 30 PHE C C 13 176.048 0.3 . 1 . . . . 30 F C . 16098 1 348 . 1 1 30 30 PHE CA C 13 55.377 0.3 . 1 . . . . 30 F CA . 16098 1 349 . 1 1 30 30 PHE CB C 13 38.954 0.3 . 1 . . . . 30 F CB . 16098 1 350 . 1 1 30 30 PHE CD1 C 13 133.050 0.3 . 3 . . . . 30 F CD1 . 16098 1 351 . 1 1 30 30 PHE CE1 C 13 133.369 0.3 . 3 . . . . 30 F CE1 . 16098 1 352 . 1 1 30 30 PHE N N 15 112.900 0.3 . 1 . . . . 30 F N . 16098 1 353 . 1 1 31 31 LEU H H 1 6.870 0.03 . 1 . . . . 31 L HN . 16098 1 354 . 1 1 31 31 LEU HA H 1 4.260 0.03 . 1 . . . . 31 L HA . 16098 1 355 . 1 1 31 31 LEU HB2 H 1 1.387 0.03 . 2 . . . . 31 L HB1 . 16098 1 356 . 1 1 31 31 LEU HB3 H 1 1.741 0.03 . 2 . . . . 31 L HB2 . 16098 1 357 . 1 1 31 31 LEU HD11 H 1 0.499 0.03 . 2 . . . . 31 L HD11 . 16098 1 358 . 1 1 31 31 LEU HD12 H 1 0.499 0.03 . 2 . . . . 31 L HD11 . 16098 1 359 . 1 1 31 31 LEU HD13 H 1 0.499 0.03 . 2 . . . . 31 L HD11 . 16098 1 360 . 1 1 31 31 LEU HD21 H 1 0.710 0.03 . 2 . . . . 31 L HD21 . 16098 1 361 . 1 1 31 31 LEU HD22 H 1 0.710 0.03 . 2 . . . . 31 L HD21 . 16098 1 362 . 1 1 31 31 LEU HD23 H 1 0.710 0.03 . 2 . . . . 31 L HD21 . 16098 1 363 . 1 1 31 31 LEU HG H 1 1.230 0.03 . 1 . . . . 31 L HG . 16098 1 364 . 1 1 31 31 LEU C C 13 177.819 0.3 . 1 . . . . 31 L C . 16098 1 365 . 1 1 31 31 LEU CA C 13 55.347 0.3 . 1 . . . . 31 L CA . 16098 1 366 . 1 1 31 31 LEU CB C 13 43.424 0.3 . 1 . . . . 31 L CB . 16098 1 367 . 1 1 31 31 LEU CD1 C 13 22.174 0.3 . 1 . . . . 31 L CD1 . 16098 1 368 . 1 1 31 31 LEU CD2 C 13 25.893 0.3 . 1 . . . . 31 L CD2 . 16098 1 369 . 1 1 31 31 LEU CG C 13 25.820 0.3 . 1 . . . . 31 L CG . 16098 1 370 . 1 1 31 31 LEU N N 15 122.045 0.3 . 1 . . . . 31 L N . 16098 1 371 . 1 1 32 32 SER H H 1 7.950 0.03 . 1 . . . . 32 S HN . 16098 1 372 . 1 1 32 32 SER HA H 1 4.687 0.03 . 1 . . . . 32 S HA . 16098 1 373 . 1 1 32 32 SER HB2 H 1 4.386 0.03 . 2 . . . . 32 S HB1 . 16098 1 374 . 1 1 32 32 SER HB3 H 1 4.639 0.03 . 2 . . . . 32 S HB2 . 16098 1 375 . 1 1 32 32 SER C C 13 174.620 0.3 . 1 . . . . 32 S C . 16098 1 376 . 1 1 32 32 SER CA C 13 57.909 0.3 . 1 . . . . 32 S CA . 16098 1 377 . 1 1 32 32 SER CB C 13 64.408 0.3 . 1 . . . . 32 S CB . 16098 1 378 . 1 1 32 32 SER N N 15 117.995 0.3 . 1 . . . . 32 S N . 16098 1 379 . 1 1 33 33 ALA H H 1 9.140 0.03 . 1 . . . . 33 A HN . 16098 1 380 . 1 1 33 33 ALA HA H 1 4.240 0.03 . 1 . . . . 33 A HA . 16098 1 381 . 1 1 33 33 ALA HB1 H 1 1.637 0.03 . 1 . . . . 33 A HB1 . 16098 1 382 . 1 1 33 33 ALA HB2 H 1 1.637 0.03 . 1 . . . . 33 A HB1 . 16098 1 383 . 1 1 33 33 ALA HB3 H 1 1.637 0.03 . 1 . . . . 33 A HB1 . 16098 1 384 . 1 1 33 33 ALA C C 13 180.920 0.3 . 1 . . . . 33 A C . 16098 1 385 . 1 1 33 33 ALA CA C 13 55.642 0.3 . 1 . . . . 33 A CA . 16098 1 386 . 1 1 33 33 ALA CB C 13 18.463 0.3 . 1 . . . . 33 A CB . 16098 1 387 . 1 1 33 33 ALA N N 15 126.117 0.3 . 1 . . . . 33 A N . 16098 1 388 . 1 1 34 34 GLU H H 1 9.192 0.03 . 1 . . . . 34 E HN . 16098 1 389 . 1 1 34 34 GLU HA H 1 4.286 0.03 . 1 . . . . 34 E HA . 16098 1 390 . 1 1 34 34 GLU HB2 H 1 2.221 0.03 . 2 . . . . 34 E HB1 . 16098 1 391 . 1 1 34 34 GLU HB3 H 1 2.287 0.03 . 2 . . . . 34 E HB2 . 16098 1 392 . 1 1 34 34 GLU HG2 H 1 2.533 0.03 . 2 . . . . 34 E HG1 . 16098 1 393 . 1 1 34 34 GLU HG3 H 1 2.609 0.03 . 2 . . . . 34 E HG2 . 16098 1 394 . 1 1 34 34 GLU C C 13 179.003 0.3 . 1 . . . . 34 E C . 16098 1 395 . 1 1 34 34 GLU CA C 13 59.928 0.3 . 1 . . . . 34 E CA . 16098 1 396 . 1 1 34 34 GLU CB C 13 29.221 0.3 . 1 . . . . 34 E CB . 16098 1 397 . 1 1 34 34 GLU CG C 13 37.049 0.3 . 1 . . . . 34 E CG . 16098 1 398 . 1 1 34 34 GLU N N 15 117.202 0.3 . 1 . . . . 34 E N . 16098 1 399 . 1 1 35 35 TYR H H 1 8.100 0.03 . 1 . . . . 35 Y HN . 16098 1 400 . 1 1 35 35 TYR HA H 1 5.250 0.03 . 1 . . . . 35 Y HA . 16098 1 401 . 1 1 35 35 TYR HB2 H 1 3.219 0.03 . 2 . . . . 35 Y HB1 . 16098 1 402 . 1 1 35 35 TYR HB3 H 1 3.523 0.03 . 2 . . . . 35 Y HB2 . 16098 1 403 . 1 1 35 35 TYR HD1 H 1 7.355 0.03 . 3 . . . . 35 Y HD1 . 16098 1 404 . 1 1 35 35 TYR HE1 H 1 6.951 0.03 . 3 . . . . 35 Y HE1 . 16098 1 405 . 1 1 35 35 TYR C C 13 177.401 0.3 . 1 . . . . 35 Y C . 16098 1 406 . 1 1 35 35 TYR CA C 13 57.236 0.3 . 1 . . . . 35 Y CA . 16098 1 407 . 1 1 35 35 TYR CB C 13 38.954 0.3 . 1 . . . . 35 Y CB . 16098 1 408 . 1 1 35 35 TYR CD1 C 13 132.726 0.3 . 3 . . . . 35 Y CD1 . 16098 1 409 . 1 1 35 35 TYR CE1 C 13 119.666 0.3 . 3 . . . . 35 Y CE1 . 16098 1 410 . 1 1 35 35 TYR N N 15 123.071 0.3 . 1 . . . . 35 Y N . 16098 1 411 . 1 1 36 36 ARG H H 1 8.696 0.03 . 1 . . . . 36 R HN . 16098 1 412 . 1 1 36 36 ARG HA H 1 4.014 0.03 . 1 . . . . 36 R HA . 16098 1 413 . 1 1 36 36 ARG HB2 H 1 2.295 0.03 . 2 . . . . 36 R HB1 . 16098 1 414 . 1 1 36 36 ARG HB3 H 1 1.938 0.03 . 2 . . . . 36 R HB2 . 16098 1 415 . 1 1 36 36 ARG HD2 H 1 3.034 0.03 . 2 . . . . 36 R HD1 . 16098 1 416 . 1 1 36 36 ARG HD3 H 1 3.418 0.03 . 2 . . . . 36 R HD2 . 16098 1 417 . 1 1 36 36 ARG HE H 1 8.120 0.03 . 1 . . . . 36 R HE . 16098 1 418 . 1 1 36 36 ARG HG2 H 1 1.820 0.03 . 2 . . . . 36 R HG1 . 16098 1 419 . 1 1 36 36 ARG HG3 H 1 1.820 0.03 . 2 . . . . 36 R HG2 . 16098 1 420 . 1 1 36 36 ARG C C 13 179.301 0.3 . 1 . . . . 36 R C . 16098 1 421 . 1 1 36 36 ARG CA C 13 59.445 0.3 . 1 . . . . 36 R CA . 16098 1 422 . 1 1 36 36 ARG CB C 13 29.221 0.3 . 1 . . . . 36 R CB . 16098 1 423 . 1 1 36 36 ARG CD C 13 41.830 0.3 . 1 . . . . 36 R CD . 16098 1 424 . 1 1 36 36 ARG CG C 13 27.487 0.3 . 1 . . . . 36 R CG . 16098 1 425 . 1 1 36 36 ARG N N 15 119.753 0.3 . 1 . . . . 36 R N . 16098 1 426 . 1 1 36 36 ARG NE N 15 115.562 0.3 . 1 . . . . 36 R NE . 16098 1 427 . 1 1 37 37 THR H H 1 8.087 0.03 . 1 . . . . 37 T HN . 16098 1 428 . 1 1 37 37 THR HA H 1 4.261 0.03 . 1 . . . . 37 T HA . 16098 1 429 . 1 1 37 37 THR HB H 1 4.448 0.03 . 1 . . . . 37 T HB . 16098 1 430 . 1 1 37 37 THR HG21 H 1 1.440 0.03 . 1 . . . . 37 T HG21 . 16098 1 431 . 1 1 37 37 THR HG22 H 1 1.440 0.03 . 1 . . . . 37 T HG21 . 16098 1 432 . 1 1 37 37 THR HG23 H 1 1.440 0.03 . 1 . . . . 37 T HG21 . 16098 1 433 . 1 1 37 37 THR C C 13 175.740 0.3 . 1 . . . . 37 T C . 16098 1 434 . 1 1 37 37 THR CA C 13 66.964 0.3 . 1 . . . . 37 T CA . 16098 1 435 . 1 1 37 37 THR CB C 13 69.098 0.3 . 1 . . . . 37 T CB . 16098 1 436 . 1 1 37 37 THR CG2 C 13 21.944 0.3 . 1 . . . . 37 T CG2 . 16098 1 437 . 1 1 37 37 THR N N 15 116.751 0.3 . 1 . . . . 37 T N . 16098 1 438 . 1 1 38 38 GLU H H 1 8.007 0.03 . 1 . . . . 38 E HN . 16098 1 439 . 1 1 38 38 GLU HA H 1 4.272 0.03 . 1 . . . . 38 E HA . 16098 1 440 . 1 1 38 38 GLU HB2 H 1 2.447 0.03 . 2 . . . . 38 E HB1 . 16098 1 441 . 1 1 38 38 GLU HB3 H 1 2.560 0.03 . 2 . . . . 38 E HB2 . 16098 1 442 . 1 1 38 38 GLU HG2 H 1 2.420 0.03 . 2 . . . . 38 E HG1 . 16098 1 443 . 1 1 38 38 GLU HG3 H 1 2.685 0.03 . 2 . . . . 38 E HG2 . 16098 1 444 . 1 1 38 38 GLU C C 13 180.218 0.3 . 1 . . . . 38 E C . 16098 1 445 . 1 1 38 38 GLU CA C 13 59.787 0.3 . 1 . . . . 38 E CA . 16098 1 446 . 1 1 38 38 GLU CB C 13 30.408 0.3 . 1 . . . . 38 E CB . 16098 1 447 . 1 1 38 38 GLU CD C 13 179.780 0.3 . 1 . . . . 38 E CD . 16098 1 448 . 1 1 38 38 GLU CG C 13 36.133 0.3 . 1 . . . . 38 E CG . 16098 1 449 . 1 1 38 38 GLU N N 15 124.349 0.3 . 1 . . . . 38 E N . 16098 1 450 . 1 1 39 39 LEU H H 1 9.208 0.03 . 1 . . . . 39 L HN . 16098 1 451 . 1 1 39 39 LEU HA H 1 4.050 0.03 . 1 . . . . 39 L HA . 16098 1 452 . 1 1 39 39 LEU HB2 H 1 1.587 0.03 . 2 . . . . 39 L HB1 . 16098 1 453 . 1 1 39 39 LEU HB3 H 1 1.998 0.03 . 2 . . . . 39 L HB2 . 16098 1 454 . 1 1 39 39 LEU HD11 H 1 0.920 0.03 . 2 . . . . 39 L HD11 . 16098 1 455 . 1 1 39 39 LEU HD12 H 1 0.920 0.03 . 2 . . . . 39 L HD11 . 16098 1 456 . 1 1 39 39 LEU HD13 H 1 0.920 0.03 . 2 . . . . 39 L HD11 . 16098 1 457 . 1 1 39 39 LEU HD21 H 1 0.519 0.03 . 2 . . . . 39 L HD21 . 16098 1 458 . 1 1 39 39 LEU HD22 H 1 0.519 0.03 . 2 . . . . 39 L HD21 . 16098 1 459 . 1 1 39 39 LEU HD23 H 1 0.519 0.03 . 2 . . . . 39 L HD21 . 16098 1 460 . 1 1 39 39 LEU HG H 1 1.429 0.03 . 1 . . . . 39 L HG . 16098 1 461 . 1 1 39 39 LEU C C 13 178.010 0.3 . 1 . . . . 39 L C . 16098 1 462 . 1 1 39 39 LEU CA C 13 57.738 0.3 . 1 . . . . 39 L CA . 16098 1 463 . 1 1 39 39 LEU CB C 13 42.893 0.3 . 1 . . . . 39 L CB . 16098 1 464 . 1 1 39 39 LEU CD1 C 13 23.237 0.3 . 1 . . . . 39 L CD1 . 16098 1 465 . 1 1 39 39 LEU CD2 C 13 25.627 0.3 . 1 . . . . 39 L CD2 . 16098 1 466 . 1 1 39 39 LEU CG C 13 26.955 0.3 . 1 . . . . 39 L CG . 16098 1 467 . 1 1 39 39 LEU N N 15 119.594 0.3 . 1 . . . . 39 L N . 16098 1 468 . 1 1 40 40 GLU H H 1 7.830 0.03 . 1 . . . . 40 E HN . 16098 1 469 . 1 1 40 40 GLU HA H 1 3.475 0.03 . 1 . . . . 40 E HA . 16098 1 470 . 1 1 40 40 GLU HB2 H 1 2.352 0.03 . 2 . . . . 40 E HB1 . 16098 1 471 . 1 1 40 40 GLU HB3 H 1 2.352 0.03 . 2 . . . . 40 E HB2 . 16098 1 472 . 1 1 40 40 GLU HG2 H 1 2.335 0.03 . 2 . . . . 40 E HG1 . 16098 1 473 . 1 1 40 40 GLU HG3 H 1 2.302 0.03 . 2 . . . . 40 E HG2 . 16098 1 474 . 1 1 40 40 GLU C C 13 177.740 0.3 . 1 . . . . 40 E C . 16098 1 475 . 1 1 40 40 GLU CA C 13 59.557 0.3 . 1 . . . . 40 E CA . 16098 1 476 . 1 1 40 40 GLU CB C 13 29.164 0.3 . 1 . . . . 40 E CB . 16098 1 477 . 1 1 40 40 GLU CG C 13 36.518 0.3 . 1 . . . . 40 E CG . 16098 1 478 . 1 1 40 40 GLU N N 15 119.976 0.3 . 1 . . . . 40 E N . 16098 1 479 . 1 1 41 41 ASP H H 1 7.680 0.03 . 1 . . . . 41 D HN . 16098 1 480 . 1 1 41 41 ASP HA H 1 4.438 0.03 . 1 . . . . 41 D HA . 16098 1 481 . 1 1 41 41 ASP HB2 H 1 2.778 0.03 . 2 . . . . 41 D HB1 . 16098 1 482 . 1 1 41 41 ASP HB3 H 1 2.906 0.03 . 2 . . . . 41 D HB2 . 16098 1 483 . 1 1 41 41 ASP C C 13 179.266 0.3 . 1 . . . . 41 D C . 16098 1 484 . 1 1 41 41 ASP CA C 13 57.738 0.3 . 1 . . . . 41 D CA . 16098 1 485 . 1 1 41 41 ASP CB C 13 40.833 0.3 . 1 . . . . 41 D CB . 16098 1 486 . 1 1 41 41 ASP N N 15 118.527 0.3 . 1 . . . . 41 D N . 16098 1 487 . 1 1 42 42 LEU H H 1 7.689 0.03 . 1 . . . . 42 L HN . 16098 1 488 . 1 1 42 42 LEU HA H 1 4.200 0.03 . 1 . . . . 42 L HA . 16098 1 489 . 1 1 42 42 LEU HB2 H 1 1.815 0.03 . 2 . . . . 42 L HB1 . 16098 1 490 . 1 1 42 42 LEU HB3 H 1 2.001 0.03 . 2 . . . . 42 L HB2 . 16098 1 491 . 1 1 42 42 LEU HD11 H 1 1.078 0.03 . 2 . . . . 42 L HD11 . 16098 1 492 . 1 1 42 42 LEU HD12 H 1 1.078 0.03 . 2 . . . . 42 L HD11 . 16098 1 493 . 1 1 42 42 LEU HD13 H 1 1.078 0.03 . 2 . . . . 42 L HD11 . 16098 1 494 . 1 1 42 42 LEU HD21 H 1 1.024 0.03 . 2 . . . . 42 L HD21 . 16098 1 495 . 1 1 42 42 LEU HD22 H 1 1.024 0.03 . 2 . . . . 42 L HD21 . 16098 1 496 . 1 1 42 42 LEU HD23 H 1 1.024 0.03 . 2 . . . . 42 L HD21 . 16098 1 497 . 1 1 42 42 LEU HG H 1 1.844 0.03 . 1 . . . . 42 L HG . 16098 1 498 . 1 1 42 42 LEU C C 13 180.141 0.3 . 1 . . . . 42 L C . 16098 1 499 . 1 1 42 42 LEU CA C 13 58.250 0.3 . 1 . . . . 42 L CA . 16098 1 500 . 1 1 42 42 LEU CB C 13 42.159 0.3 . 1 . . . . 42 L CB . 16098 1 501 . 1 1 42 42 LEU CD1 C 13 25.350 0.3 . 1 . . . . 42 L CD1 . 16098 1 502 . 1 1 42 42 LEU CD2 C 13 24.027 0.3 . 1 . . . . 42 L CD2 . 16098 1 503 . 1 1 42 42 LEU CG C 13 27.227 0.3 . 1 . . . . 42 L CG . 16098 1 504 . 1 1 42 42 LEU N N 15 121.063 0.3 . 1 . . . . 42 L N . 16098 1 505 . 1 1 43 43 VAL H H 1 8.716 0.03 . 1 . . . . 43 V HN . 16098 1 506 . 1 1 43 43 VAL HA H 1 3.435 0.03 . 1 . . . . 43 V HA . 16098 1 507 . 1 1 43 43 VAL HB H 1 1.337 0.03 . 1 . . . . 43 V HB . 16098 1 508 . 1 1 43 43 VAL HG11 H 1 -0.001 0.03 . 2 . . . . 43 V HG11 . 16098 1 509 . 1 1 43 43 VAL HG12 H 1 -0.001 0.03 . 2 . . . . 43 V HG11 . 16098 1 510 . 1 1 43 43 VAL HG13 H 1 -0.001 0.03 . 2 . . . . 43 V HG11 . 16098 1 511 . 1 1 43 43 VAL HG21 H 1 0.221 0.03 . 2 . . . . 43 V HG21 . 16098 1 512 . 1 1 43 43 VAL HG22 H 1 0.221 0.03 . 2 . . . . 43 V HG21 . 16098 1 513 . 1 1 43 43 VAL HG23 H 1 0.221 0.03 . 2 . . . . 43 V HG21 . 16098 1 514 . 1 1 43 43 VAL C C 13 178.501 0.3 . 1 . . . . 43 V C . 16098 1 515 . 1 1 43 43 VAL CA C 13 67.130 0.3 . 1 . . . . 43 V CA . 16098 1 516 . 1 1 43 43 VAL CB C 13 31.371 0.3 . 1 . . . . 43 V CB . 16098 1 517 . 1 1 43 43 VAL CG1 C 13 21.713 0.3 . 1 . . . . 43 V CG1 . 16098 1 518 . 1 1 43 43 VAL CG2 C 13 20.846 0.3 . 1 . . . . 43 V CG2 . 16098 1 519 . 1 1 43 43 VAL N N 15 121.194 0.3 . 1 . . . . 43 V N . 16098 1 520 . 1 1 44 44 ARG H H 1 8.565 0.03 . 1 . . . . 44 R HN . 16098 1 521 . 1 1 44 44 ARG HA H 1 3.817 0.03 . 1 . . . . 44 R HA . 16098 1 522 . 1 1 44 44 ARG HB2 H 1 1.862 0.03 . 2 . . . . 44 R HB1 . 16098 1 523 . 1 1 44 44 ARG HB3 H 1 1.900 0.03 . 2 . . . . 44 R HB2 . 16098 1 524 . 1 1 44 44 ARG HD2 H 1 3.343 0.03 . 2 . . . . 44 R HD1 . 16098 1 525 . 1 1 44 44 ARG HD3 H 1 3.343 0.03 . 2 . . . . 44 R HD2 . 16098 1 526 . 1 1 44 44 ARG HE H 1 8.257 0.03 . 1 . . . . 44 R HE . 16098 1 527 . 1 1 44 44 ARG HG2 H 1 1.728 0.03 . 2 . . . . 44 R HG1 . 16098 1 528 . 1 1 44 44 ARG HG3 H 1 1.728 0.03 . 2 . . . . 44 R HG2 . 16098 1 529 . 1 1 44 44 ARG C C 13 177.741 0.3 . 1 . . . . 44 R C . 16098 1 530 . 1 1 44 44 ARG CA C 13 60.129 0.3 . 1 . . . . 44 R CA . 16098 1 531 . 1 1 44 44 ARG CB C 13 29.918 0.3 . 1 . . . . 44 R CB . 16098 1 532 . 1 1 44 44 ARG CD C 13 42.992 0.3 . 1 . . . . 44 R CD . 16098 1 533 . 1 1 44 44 ARG CG C 13 30.315 0.3 . 1 . . . . 44 R CG . 16098 1 534 . 1 1 44 44 ARG N N 15 119.263 0.3 . 1 . . . . 44 R N . 16098 1 535 . 1 1 44 44 ARG NE N 15 114.992 0.3 . 1 . . . . 44 R NE . 16098 1 536 . 1 1 45 45 SER H H 1 7.374 0.03 . 1 . . . . 45 S HN . 16098 1 537 . 1 1 45 45 SER HA H 1 4.469 0.03 . 1 . . . . 45 S HA . 16098 1 538 . 1 1 45 45 SER HB2 H 1 3.986 0.03 . 2 . . . . 45 S HB1 . 16098 1 539 . 1 1 45 45 SER HB3 H 1 4.067 0.03 . 2 . . . . 45 S HB2 . 16098 1 540 . 1 1 45 45 SER CA C 13 60.424 0.3 . 1 . . . . 45 S CA . 16098 1 541 . 1 1 45 45 SER CB C 13 64.142 0.3 . 1 . . . . 45 S CB . 16098 1 542 . 1 1 45 45 SER N N 15 110.872 0.3 . 1 . . . . 45 S N . 16098 1 543 . 1 1 46 46 PHE H H 1 7.952 0.03 . 1 . . . . 46 F HN . 16098 1 544 . 1 1 46 46 PHE HA H 1 4.793 0.03 . 1 . . . . 46 F HA . 16098 1 545 . 1 1 46 46 PHE HB2 H 1 2.945 0.03 . 2 . . . . 46 F HB1 . 16098 1 546 . 1 1 46 46 PHE HB3 H 1 3.337 0.03 . 2 . . . . 46 F HB2 . 16098 1 547 . 1 1 46 46 PHE HD1 H 1 7.246 0.03 . 3 . . . . 46 F HD1 . 16098 1 548 . 1 1 46 46 PHE HE1 H 1 7.344 0.03 . 3 . . . . 46 F HE1 . 16098 1 549 . 1 1 46 46 PHE C C 13 176.257 0.3 . 1 . . . . 46 F C . 16098 1 550 . 1 1 46 46 PHE CA C 13 59.275 0.3 . 1 . . . . 46 F CA . 16098 1 551 . 1 1 46 46 PHE CB C 13 42.359 0.3 . 1 . . . . 46 F CB . 16098 1 552 . 1 1 46 46 PHE CD1 C 13 132.208 0.3 . 3 . . . . 46 F CD1 . 16098 1 553 . 1 1 46 46 PHE N N 15 120.778 0.3 . 1 . . . . 46 F N . 16098 1 554 . 1 1 47 47 LEU H H 1 8.726 0.03 . 1 . . . . 47 L HN . 16098 1 555 . 1 1 47 47 LEU HA H 1 3.820 0.03 . 1 . . . . 47 L HA . 16098 1 556 . 1 1 47 47 LEU HB2 H 1 1.288 0.03 . 2 . . . . 47 L HB1 . 16098 1 557 . 1 1 47 47 LEU HB3 H 1 1.560 0.03 . 2 . . . . 47 L HB2 . 16098 1 558 . 1 1 47 47 LEU HD11 H 1 0.538 0.03 . 2 . . . . 47 L HD11 . 16098 1 559 . 1 1 47 47 LEU HD12 H 1 0.538 0.03 . 2 . . . . 47 L HD11 . 16098 1 560 . 1 1 47 47 LEU HD13 H 1 0.538 0.03 . 2 . . . . 47 L HD11 . 16098 1 561 . 1 1 47 47 LEU HD21 H 1 0.585 0.03 . 2 . . . . 47 L HD21 . 16098 1 562 . 1 1 47 47 LEU HD22 H 1 0.585 0.03 . 2 . . . . 47 L HD21 . 16098 1 563 . 1 1 47 47 LEU HD23 H 1 0.585 0.03 . 2 . . . . 47 L HD21 . 16098 1 564 . 1 1 47 47 LEU HG H 1 1.633 0.03 . 1 . . . . 47 L HG . 16098 1 565 . 1 1 47 47 LEU C C 13 174.118 0.3 . 1 . . . . 47 L C . 16098 1 566 . 1 1 47 47 LEU CA C 13 59.361 0.3 . 1 . . . . 47 L CA . 16098 1 567 . 1 1 47 47 LEU CB C 13 40.236 0.3 . 1 . . . . 47 L CB . 16098 1 568 . 1 1 47 47 LEU CD1 C 13 24.428 0.3 . 1 . . . . 47 L CD1 . 16098 1 569 . 1 1 47 47 LEU CD2 C 13 25.757 0.3 . 1 . . . . 47 L CD2 . 16098 1 570 . 1 1 47 47 LEU CG C 13 26.654 0.3 . 1 . . . . 47 L CG . 16098 1 571 . 1 1 47 47 LEU N N 15 121.038 0.3 . 1 . . . . 47 L N . 16098 1 572 . 1 1 48 48 PRO HA H 1 4.158 0.03 . 1 . . . . 48 P HA . 16098 1 573 . 1 1 48 48 PRO HB2 H 1 1.875 0.03 . 2 . . . . 48 P HB1 . 16098 1 574 . 1 1 48 48 PRO HB3 H 1 2.415 0.03 . 2 . . . . 48 P HB2 . 16098 1 575 . 1 1 48 48 PRO HD2 H 1 3.241 0.03 . 2 . . . . 48 P HD1 . 16098 1 576 . 1 1 48 48 PRO HD3 H 1 3.569 0.03 . 2 . . . . 48 P HD2 . 16098 1 577 . 1 1 48 48 PRO HG2 H 1 1.652 0.03 . 2 . . . . 48 P HG1 . 16098 1 578 . 1 1 48 48 PRO HG3 H 1 2.243 0.03 . 2 . . . . 48 P HG2 . 16098 1 579 . 1 1 48 48 PRO C C 13 176.826 0.3 . 1 . . . . 48 P C . 16098 1 580 . 1 1 48 48 PRO CA C 13 66.267 0.3 . 1 . . . . 48 P CA . 16098 1 581 . 1 1 48 48 PRO CB C 13 31.782 0.3 . 1 . . . . 48 P CB . 16098 1 582 . 1 1 48 48 PRO CD C 13 51.127 0.3 . 1 . . . . 48 P CD . 16098 1 583 . 1 1 48 48 PRO CG C 13 28.815 0.3 . 1 . . . . 48 P CG . 16098 1 584 . 1 1 49 49 GLU H H 1 7.118 0.03 . 1 . . . . 49 E HN . 16098 1 585 . 1 1 49 49 GLU HA H 1 4.530 0.03 . 1 . . . . 49 E HA . 16098 1 586 . 1 1 49 49 GLU HB2 H 1 1.896 0.03 . 2 . . . . 49 E HB1 . 16098 1 587 . 1 1 49 49 GLU HB3 H 1 2.327 0.03 . 2 . . . . 49 E HB2 . 16098 1 588 . 1 1 49 49 GLU HG2 H 1 2.207 0.03 . 2 . . . . 49 E HG1 . 16098 1 589 . 1 1 49 49 GLU HG3 H 1 2.323 0.03 . 2 . . . . 49 E HG2 . 16098 1 590 . 1 1 49 49 GLU C C 13 175.939 0.3 . 1 . . . . 49 E C . 16098 1 591 . 1 1 49 49 GLU CA C 13 55.006 0.3 . 1 . . . . 49 E CA . 16098 1 592 . 1 1 49 49 GLU CB C 13 30.587 0.3 . 1 . . . . 49 E CB . 16098 1 593 . 1 1 49 49 GLU CG C 13 36.518 0.3 . 1 . . . . 49 E CG . 16098 1 594 . 1 1 49 49 GLU N N 15 110.936 0.3 . 1 . . . . 49 E N . 16098 1 595 . 1 1 50 50 ALA H H 1 7.582 0.03 . 1 . . . . 50 A HN . 16098 1 596 . 1 1 50 50 ALA HA H 1 4.476 0.03 . 1 . . . . 50 A HA . 16098 1 597 . 1 1 50 50 ALA HB1 H 1 1.131 0.03 . 1 . . . . 50 A HB1 . 16098 1 598 . 1 1 50 50 ALA HB2 H 1 1.131 0.03 . 1 . . . . 50 A HB1 . 16098 1 599 . 1 1 50 50 ALA HB3 H 1 1.131 0.03 . 1 . . . . 50 A HB1 . 16098 1 600 . 1 1 50 50 ALA C C 13 176.588 0.3 . 1 . . . . 50 A C . 16098 1 601 . 1 1 50 50 ALA CA C 13 50.486 0.3 . 1 . . . . 50 A CA . 16098 1 602 . 1 1 50 50 ALA CB C 13 18.634 0.3 . 1 . . . . 50 A CB . 16098 1 603 . 1 1 50 50 ALA N N 15 125.318 0.3 . 1 . . . . 50 A N . 16098 1 604 . 1 1 51 51 PRO HA H 1 4.829 0.03 . 1 . . . . 51 P HA . 16098 1 605 . 1 1 51 51 PRO HB2 H 1 1.957 0.03 . 2 . . . . 51 P HB1 . 16098 1 606 . 1 1 51 51 PRO HB3 H 1 2.290 0.03 . 2 . . . . 51 P HB2 . 16098 1 607 . 1 1 51 51 PRO HD2 H 1 3.649 0.03 . 2 . . . . 51 P HD1 . 16098 1 608 . 1 1 51 51 PRO HD3 H 1 3.834 0.03 . 2 . . . . 51 P HD2 . 16098 1 609 . 1 1 51 51 PRO HG2 H 1 2.284 0.03 . 2 . . . . 51 P HG1 . 16098 1 610 . 1 1 51 51 PRO HG3 H 1 2.284 0.03 . 2 . . . . 51 P HG2 . 16098 1 611 . 1 1 51 51 PRO CA C 13 62.007 0.3 . 1 . . . . 51 P CA . 16098 1 612 . 1 1 51 51 PRO CB C 13 28.335 0.3 . 1 . . . . 51 P CB . 16098 1 613 . 1 1 51 51 PRO CD C 13 50.064 0.3 . 1 . . . . 51 P CD . 16098 1 614 . 1 1 51 51 PRO CG C 13 28.050 0.3 . 1 . . . . 51 P CG . 16098 1 615 . 1 1 52 52 LEU H H 1 7.849 0.03 . 1 . . . . 52 L HN . 16098 1 616 . 1 1 52 52 LEU HA H 1 4.725 0.03 . 1 . . . . 52 L HA . 16098 1 617 . 1 1 52 52 LEU HB2 H 1 1.554 0.03 . 2 . . . . 52 L HB1 . 16098 1 618 . 1 1 52 52 LEU HB3 H 1 1.844 0.03 . 2 . . . . 52 L HB2 . 16098 1 619 . 1 1 52 52 LEU HD11 H 1 0.909 0.03 . 2 . . . . 52 L HD11 . 16098 1 620 . 1 1 52 52 LEU HD12 H 1 0.909 0.03 . 2 . . . . 52 L HD11 . 16098 1 621 . 1 1 52 52 LEU HD13 H 1 0.909 0.03 . 2 . . . . 52 L HD11 . 16098 1 622 . 1 1 52 52 LEU HD21 H 1 0.645 0.03 . 2 . . . . 52 L HD21 . 16098 1 623 . 1 1 52 52 LEU HD22 H 1 0.645 0.03 . 2 . . . . 52 L HD21 . 16098 1 624 . 1 1 52 52 LEU HD23 H 1 0.645 0.03 . 2 . . . . 52 L HD21 . 16098 1 625 . 1 1 52 52 LEU HG H 1 1.670 0.03 . 1 . . . . 52 L HG . 16098 1 626 . 1 1 52 52 LEU C C 13 177.936 0.3 . 1 . . . . 52 L C . 16098 1 627 . 1 1 52 52 LEU CA C 13 55.111 0.3 . 1 . . . . 52 L CA . 16098 1 628 . 1 1 52 52 LEU CB C 13 44.221 0.3 . 1 . . . . 52 L CB . 16098 1 629 . 1 1 52 52 LEU CD1 C 13 25.096 0.3 . 1 . . . . 52 L CD1 . 16098 1 630 . 1 1 52 52 LEU CD2 C 13 26.670 0.3 . 1 . . . . 52 L CD2 . 16098 1 631 . 1 1 52 52 LEU CG C 13 26.524 0.3 . 1 . . . . 52 L CG . 16098 1 632 . 1 1 52 52 LEU N N 15 122.957 0.3 . 1 . . . . 52 L N . 16098 1 633 . 1 1 53 53 TRP H H 1 9.041 0.03 . 1 . . . . 53 W HN . 16098 1 634 . 1 1 53 53 TRP HA H 1 5.122 0.03 . 1 . . . . 53 W HA . 16098 1 635 . 1 1 53 53 TRP HB2 H 1 3.098 0.03 . 2 . . . . 53 W HB1 . 16098 1 636 . 1 1 53 53 TRP HB3 H 1 3.310 0.03 . 2 . . . . 53 W HB2 . 16098 1 637 . 1 1 53 53 TRP HD1 H 1 7.555 0.03 . 1 . . . . 53 W HD1 . 16098 1 638 . 1 1 53 53 TRP HE1 H 1 10.758 0.03 . 1 . . . . 53 W HE1 . 16098 1 639 . 1 1 53 53 TRP HE3 H 1 7.424 0.03 . 1 . . . . 53 W HE3 . 16098 1 640 . 1 1 53 53 TRP HH2 H 1 7.558 0.03 . 1 . . . . 53 W HH2 . 16098 1 641 . 1 1 53 53 TRP HZ2 H 1 7.779 0.03 . 1 . . . . 53 W HZ2 . 16098 1 642 . 1 1 53 53 TRP HZ3 H 1 7.342 0.03 . 1 . . . . 53 W HZ3 . 16098 1 643 . 1 1 53 53 TRP C C 13 175.422 0.3 . 1 . . . . 53 W C . 16098 1 644 . 1 1 53 53 TRP CA C 13 56.543 0.3 . 1 . . . . 53 W CA . 16098 1 645 . 1 1 53 53 TRP CB C 13 31.667 0.3 . 1 . . . . 53 W CB . 16098 1 646 . 1 1 53 53 TRP CD1 C 13 128.197 0.3 . 1 . . . . 53 W CD1 . 16098 1 647 . 1 1 53 53 TRP CH2 C 13 125.183 0.3 . 1 . . . . 53 W CH2 . 16098 1 648 . 1 1 53 53 TRP CZ2 C 13 115.439 0.3 . 1 . . . . 53 W CZ2 . 16098 1 649 . 1 1 53 53 TRP CZ3 C 13 122.464 0.3 . 1 . . . . 53 W CZ3 . 16098 1 650 . 1 1 53 53 TRP N N 15 121.171 0.3 . 1 . . . . 53 W N . 16098 1 651 . 1 1 53 53 TRP NE1 N 15 130.269 0.3 . 1 . . . . 53 W NE1 . 16098 1 652 . 1 1 54 54 VAL H H 1 9.930 0.03 . 1 . . . . 54 V HN . 16098 1 653 . 1 1 54 54 VAL HA H 1 5.244 0.03 . 1 . . . . 54 V HA . 16098 1 654 . 1 1 54 54 VAL HB H 1 2.180 0.03 . 1 . . . . 54 V HB . 16098 1 655 . 1 1 54 54 VAL HG11 H 1 0.943 0.03 . 2 . . . . 54 V HG11 . 16098 1 656 . 1 1 54 54 VAL HG12 H 1 0.943 0.03 . 2 . . . . 54 V HG11 . 16098 1 657 . 1 1 54 54 VAL HG13 H 1 0.943 0.03 . 2 . . . . 54 V HG11 . 16098 1 658 . 1 1 54 54 VAL HG21 H 1 1.154 0.03 . 2 . . . . 54 V HG21 . 16098 1 659 . 1 1 54 54 VAL HG22 H 1 1.154 0.03 . 2 . . . . 54 V HG21 . 16098 1 660 . 1 1 54 54 VAL HG23 H 1 1.154 0.03 . 2 . . . . 54 V HG21 . 16098 1 661 . 1 1 54 54 VAL C C 13 174.735 0.3 . 1 . . . . 54 V C . 16098 1 662 . 1 1 54 54 VAL CA C 13 59.958 0.3 . 1 . . . . 54 V CA . 16098 1 663 . 1 1 54 54 VAL CB C 13 34.814 0.3 . 1 . . . . 54 V CB . 16098 1 664 . 1 1 54 54 VAL CG1 C 13 21.858 0.3 . 1 . . . . 54 V CG1 . 16098 1 665 . 1 1 54 54 VAL CG2 C 13 23.502 0.3 . 1 . . . . 54 V CG2 . 16098 1 666 . 1 1 54 54 VAL N N 15 118.793 0.3 . 1 . . . . 54 V N . 16098 1 667 . 1 1 55 55 ALA H H 1 8.257 0.03 . 1 . . . . 55 A HN . 16098 1 668 . 1 1 55 55 ALA HA H 1 5.428 0.03 . 1 . . . . 55 A HA . 16098 1 669 . 1 1 55 55 ALA HB1 H 1 1.137 0.03 . 1 . . . . 55 A HB1 . 16098 1 670 . 1 1 55 55 ALA HB2 H 1 1.137 0.03 . 1 . . . . 55 A HB1 . 16098 1 671 . 1 1 55 55 ALA HB3 H 1 1.137 0.03 . 1 . . . . 55 A HB1 . 16098 1 672 . 1 1 55 55 ALA C C 13 176.742 0.3 . 1 . . . . 55 A C . 16098 1 673 . 1 1 55 55 ALA CA C 13 49.799 0.3 . 1 . . . . 55 A CA . 16098 1 674 . 1 1 55 55 ALA CB C 13 20.640 0.3 . 1 . . . . 55 A CB . 16098 1 675 . 1 1 55 55 ALA N N 15 125.519 0.3 . 1 . . . . 55 A N . 16098 1 676 . 1 1 56 56 VAL H H 1 9.573 0.03 . 1 . . . . 56 V HN . 16098 1 677 . 1 1 56 56 VAL HA H 1 5.530 0.03 . 1 . . . . 56 V HA . 16098 1 678 . 1 1 56 56 VAL HB H 1 1.975 0.03 . 1 . . . . 56 V HB . 16098 1 679 . 1 1 56 56 VAL HG11 H 1 1.049 0.03 . 2 . . . . 56 V HG11 . 16098 1 680 . 1 1 56 56 VAL HG12 H 1 1.049 0.03 . 2 . . . . 56 V HG11 . 16098 1 681 . 1 1 56 56 VAL HG13 H 1 1.049 0.03 . 2 . . . . 56 V HG11 . 16098 1 682 . 1 1 56 56 VAL HG21 H 1 0.727 0.03 . 2 . . . . 56 V HG21 . 16098 1 683 . 1 1 56 56 VAL HG22 H 1 0.727 0.03 . 2 . . . . 56 V HG21 . 16098 1 684 . 1 1 56 56 VAL HG23 H 1 0.727 0.03 . 2 . . . . 56 V HG21 . 16098 1 685 . 1 1 56 56 VAL C C 13 175.202 0.3 . 1 . . . . 56 V C . 16098 1 686 . 1 1 56 56 VAL CA C 13 58.033 0.3 . 1 . . . . 56 V CA . 16098 1 687 . 1 1 56 56 VAL CB C 13 35.710 0.3 . 1 . . . . 56 V CB . 16098 1 688 . 1 1 56 56 VAL CG1 C 13 18.813 0.3 . 1 . . . . 56 V CG1 . 16098 1 689 . 1 1 56 56 VAL CG2 C 13 21.643 0.3 . 1 . . . . 56 V CG2 . 16098 1 690 . 1 1 56 56 VAL N N 15 116.942 0.3 . 1 . . . . 56 V N . 16098 1 691 . 1 1 57 57 ASN H H 1 7.903 0.03 . 1 . . . . 57 N HN . 16098 1 692 . 1 1 57 57 ASN HA H 1 5.315 0.03 . 1 . . . . 57 N HA . 16098 1 693 . 1 1 57 57 ASN HB2 H 1 2.898 0.03 . 2 . . . . 57 N HB1 . 16098 1 694 . 1 1 57 57 ASN HB3 H 1 3.790 0.03 . 2 . . . . 57 N HB2 . 16098 1 695 . 1 1 57 57 ASN HD21 H 1 8.018 0.03 . 2 . . . . 57 N HD21 . 16098 1 696 . 1 1 57 57 ASN HD22 H 1 7.569 0.03 . 2 . . . . 57 N HD22 . 16098 1 697 . 1 1 57 57 ASN C C 13 178.186 0.3 . 1 . . . . 57 N C . 16098 1 698 . 1 1 57 57 ASN CA C 13 50.907 0.3 . 1 . . . . 57 N CA . 16098 1 699 . 1 1 57 57 ASN CB C 13 39.296 0.3 . 1 . . . . 57 N CB . 16098 1 700 . 1 1 57 57 ASN N N 15 117.004 0.3 . 1 . . . . 57 N N . 16098 1 701 . 1 1 57 57 ASN ND2 N 15 113.227 0.3 . 1 . . . . 57 N ND2 . 16098 1 702 . 1 1 58 58 GLU H H 1 9.906 0.03 . 1 . . . . 58 E HN . 16098 1 703 . 1 1 58 58 GLU HA H 1 4.344 0.03 . 1 . . . . 58 E HA . 16098 1 704 . 1 1 58 58 GLU HB2 H 1 2.299 0.03 . 2 . . . . 58 E HB1 . 16098 1 705 . 1 1 58 58 GLU HB3 H 1 2.299 0.03 . 2 . . . . 58 E HB2 . 16098 1 706 . 1 1 58 58 GLU HG2 H 1 2.436 0.03 . 2 . . . . 58 E HG1 . 16098 1 707 . 1 1 58 58 GLU HG3 H 1 2.595 0.03 . 2 . . . . 58 E HG2 . 16098 1 708 . 1 1 58 58 GLU C C 13 177.181 0.3 . 1 . . . . 58 E C . 16098 1 709 . 1 1 58 58 GLU CA C 13 59.095 0.3 . 1 . . . . 58 E CA . 16098 1 710 . 1 1 58 58 GLU CB C 13 28.879 0.3 . 1 . . . . 58 E CB . 16098 1 711 . 1 1 58 58 GLU CG C 13 36.518 0.3 . 1 . . . . 58 E CG . 16098 1 712 . 1 1 58 58 GLU N N 15 118.207 0.3 . 1 . . . . 58 E N . 16098 1 713 . 1 1 59 59 ARG H H 1 7.848 0.03 . 1 . . . . 59 R HN . 16098 1 714 . 1 1 59 59 ARG HA H 1 4.619 0.03 . 1 . . . . 59 R HA . 16098 1 715 . 1 1 59 59 ARG HB2 H 1 1.792 0.03 . 2 . . . . 59 R HB1 . 16098 1 716 . 1 1 59 59 ARG HB3 H 1 2.238 0.03 . 2 . . . . 59 R HB2 . 16098 1 717 . 1 1 59 59 ARG HD2 H 1 3.313 0.03 . 2 . . . . 59 R HD1 . 16098 1 718 . 1 1 59 59 ARG HD3 H 1 3.351 0.03 . 2 . . . . 59 R HD2 . 16098 1 719 . 1 1 59 59 ARG HG2 H 1 1.722 0.03 . 2 . . . . 59 R HG1 . 16098 1 720 . 1 1 59 59 ARG HG3 H 1 1.722 0.03 . 2 . . . . 59 R HG2 . 16098 1 721 . 1 1 59 59 ARG C C 13 175.368 0.3 . 1 . . . . 59 R C . 16098 1 722 . 1 1 59 59 ARG CA C 13 55.392 0.3 . 1 . . . . 59 R CA . 16098 1 723 . 1 1 59 59 ARG CB C 13 29.877 0.3 . 1 . . . . 59 R CB . 16098 1 724 . 1 1 59 59 ARG CD C 13 43.566 0.3 . 1 . . . . 59 R CD . 16098 1 725 . 1 1 59 59 ARG CG C 13 27.828 0.3 . 1 . . . . 59 R CG . 16098 1 726 . 1 1 59 59 ARG N N 15 119.660 0.3 . 1 . . . . 59 R N . 16098 1 727 . 1 1 60 60 ASP H H 1 8.640 0.03 . 1 . . . . 60 D HN . 16098 1 728 . 1 1 60 60 ASP HA H 1 4.505 0.03 . 1 . . . . 60 D HA . 16098 1 729 . 1 1 60 60 ASP HB2 H 1 2.491 0.03 . 2 . . . . 60 D HB1 . 16098 1 730 . 1 1 60 60 ASP HB3 H 1 3.361 0.03 . 2 . . . . 60 D HB2 . 16098 1 731 . 1 1 60 60 ASP C C 13 175.368 0.3 . 1 . . . . 60 D C . 16098 1 732 . 1 1 60 60 ASP CA C 13 55.860 0.3 . 1 . . . . 60 D CA . 16098 1 733 . 1 1 60 60 ASP CB C 13 41.516 0.3 . 1 . . . . 60 D CB . 16098 1 734 . 1 1 60 60 ASP N N 15 118.480 0.3 . 1 . . . . 60 D N . 16098 1 735 . 1 1 61 61 GLN H H 1 7.753 0.03 . 1 . . . . 61 Q HN . 16098 1 736 . 1 1 61 61 GLN HA H 1 4.862 0.03 . 1 . . . . 61 Q HA . 16098 1 737 . 1 1 61 61 GLN HB2 H 1 2.107 0.03 . 2 . . . . 61 Q HB1 . 16098 1 738 . 1 1 61 61 GLN HB3 H 1 2.107 0.03 . 2 . . . . 61 Q HB2 . 16098 1 739 . 1 1 61 61 GLN HE21 H 1 7.778 0.03 . 2 . . . . 61 Q HE21 . 16098 1 740 . 1 1 61 61 GLN HE22 H 1 6.970 0.03 . 2 . . . . 61 Q HE22 . 16098 1 741 . 1 1 61 61 GLN HG2 H 1 2.445 0.03 . 2 . . . . 61 Q HG1 . 16098 1 742 . 1 1 61 61 GLN HG3 H 1 2.445 0.03 . 2 . . . . 61 Q HG2 . 16098 1 743 . 1 1 61 61 GLN C C 13 174.641 0.3 . 1 . . . . 61 Q C . 16098 1 744 . 1 1 61 61 GLN CA C 13 52.274 0.3 . 1 . . . . 61 Q CA . 16098 1 745 . 1 1 61 61 GLN CB C 13 29.221 0.3 . 1 . . . . 61 Q CB . 16098 1 746 . 1 1 61 61 GLN CG C 13 33.391 0.3 . 1 . . . . 61 Q CG . 16098 1 747 . 1 1 61 61 GLN N N 15 118.435 0.3 . 1 . . . . 61 Q N . 16098 1 748 . 1 1 61 61 GLN NE2 N 15 112.624 0.3 . 1 . . . . 61 Q NE2 . 16098 1 749 . 1 1 62 62 PRO HA H 1 4.940 0.03 . 1 . . . . 62 P HA . 16098 1 750 . 1 1 62 62 PRO HB2 H 1 1.915 0.03 . 2 . . . . 62 P HB1 . 16098 1 751 . 1 1 62 62 PRO HB3 H 1 2.095 0.03 . 2 . . . . 62 P HB2 . 16098 1 752 . 1 1 62 62 PRO HD2 H 1 3.947 0.03 . 2 . . . . 62 P HD1 . 16098 1 753 . 1 1 62 62 PRO HD3 H 1 4.155 0.03 . 2 . . . . 62 P HD2 . 16098 1 754 . 1 1 62 62 PRO HG2 H 1 1.964 0.03 . 2 . . . . 62 P HG1 . 16098 1 755 . 1 1 62 62 PRO HG3 H 1 2.103 0.03 . 2 . . . . 62 P HG2 . 16098 1 756 . 1 1 62 62 PRO C C 13 177.029 0.3 . 1 . . . . 62 P C . 16098 1 757 . 1 1 62 62 PRO CA C 13 63.178 0.3 . 1 . . . . 62 P CA . 16098 1 758 . 1 1 62 62 PRO CB C 13 32.769 0.3 . 1 . . . . 62 P CB . 16098 1 759 . 1 1 62 62 PRO CD C 13 51.392 0.3 . 1 . . . . 62 P CD . 16098 1 760 . 1 1 62 62 PRO CG C 13 27.987 0.3 . 1 . . . . 62 P CG . 16098 1 761 . 1 1 63 63 VAL H H 1 9.632 0.03 . 1 . . . . 63 V HN . 16098 1 762 . 1 1 63 63 VAL HA H 1 4.781 0.03 . 1 . . . . 63 V HA . 16098 1 763 . 1 1 63 63 VAL HB H 1 2.695 0.03 . 1 . . . . 63 V HB . 16098 1 764 . 1 1 63 63 VAL HG11 H 1 0.806 0.03 . 2 . . . . 63 V HG11 . 16098 1 765 . 1 1 63 63 VAL HG12 H 1 0.806 0.03 . 2 . . . . 63 V HG11 . 16098 1 766 . 1 1 63 63 VAL HG13 H 1 0.806 0.03 . 2 . . . . 63 V HG11 . 16098 1 767 . 1 1 63 63 VAL HG21 H 1 1.138 0.03 . 2 . . . . 63 V HG21 . 16098 1 768 . 1 1 63 63 VAL HG22 H 1 1.138 0.03 . 2 . . . . 63 V HG21 . 16098 1 769 . 1 1 63 63 VAL HG23 H 1 1.138 0.03 . 2 . . . . 63 V HG21 . 16098 1 770 . 1 1 63 63 VAL C C 13 174.835 0.3 . 1 . . . . 63 V C . 16098 1 771 . 1 1 63 63 VAL CA C 13 61.082 0.3 . 1 . . . . 63 V CA . 16098 1 772 . 1 1 63 63 VAL CB C 13 33.412 0.3 . 1 . . . . 63 V CB . 16098 1 773 . 1 1 63 63 VAL CG1 C 13 19.384 0.3 . 1 . . . . 63 V CG1 . 16098 1 774 . 1 1 63 63 VAL CG2 C 13 21.643 0.3 . 1 . . . . 63 V CG2 . 16098 1 775 . 1 1 63 63 VAL N N 15 113.955 0.3 . 1 . . . . 63 V N . 16098 1 776 . 1 1 64 64 GLY H H 1 8.068 0.03 . 1 . . . . 64 G HN . 16098 1 777 . 1 1 64 64 GLY HA2 H 1 4.019 0.03 . 2 . . . . 64 G HA1 . 16098 1 778 . 1 1 64 64 GLY HA3 H 1 4.695 0.03 . 2 . . . . 64 G HA2 . 16098 1 779 . 1 1 64 64 GLY C C 13 170.950 0.3 . 1 . . . . 64 G C . 16098 1 780 . 1 1 64 64 GLY CA C 13 46.638 0.3 . 1 . . . . 64 G CA . 16098 1 781 . 1 1 64 64 GLY N N 15 107.074 0.3 . 1 . . . . 64 G N . 16098 1 782 . 1 1 65 65 PHE H H 1 9.546 0.03 . 1 . . . . 65 F HN . 16098 1 783 . 1 1 65 65 PHE HA H 1 6.130 0.03 . 1 . . . . 65 F HA . 16098 1 784 . 1 1 65 65 PHE HB2 H 1 3.320 0.03 . 2 . . . . 65 F HB1 . 16098 1 785 . 1 1 65 65 PHE HB3 H 1 3.475 0.03 . 2 . . . . 65 F HB2 . 16098 1 786 . 1 1 65 65 PHE HD1 H 1 7.137 0.03 . 3 . . . . 65 F HD1 . 16098 1 787 . 1 1 65 65 PHE HE1 H 1 7.145 0.03 . 3 . . . . 65 F HE1 . 16098 1 788 . 1 1 65 65 PHE C C 13 171.798 0.3 . 1 . . . . 65 F C . 16098 1 789 . 1 1 65 65 PHE CA C 13 57.066 0.3 . 1 . . . . 65 F CA . 16098 1 790 . 1 1 65 65 PHE CB C 13 43.022 0.3 . 1 . . . . 65 F CB . 16098 1 791 . 1 1 65 65 PHE CD1 C 13 132.538 0.3 . 3 . . . . 65 F CD1 . 16098 1 792 . 1 1 65 65 PHE N N 15 116.416 0.3 . 1 . . . . 65 F N . 16098 1 793 . 1 1 66 66 MET H H 1 9.860 0.03 . 1 . . . . 66 M HN . 16098 1 794 . 1 1 66 66 MET HA H 1 5.555 0.03 . 1 . . . . 66 M HA . 16098 1 795 . 1 1 66 66 MET HB2 H 1 2.350 0.03 . 2 . . . . 66 M HB1 . 16098 1 796 . 1 1 66 66 MET HB3 H 1 2.400 0.03 . 2 . . . . 66 M HB2 . 16098 1 797 . 1 1 66 66 MET HE1 H 1 2.084 0.03 . 1 . . . . 66 M HE1 . 16098 1 798 . 1 1 66 66 MET HE2 H 1 2.084 0.03 . 1 . . . . 66 M HE1 . 16098 1 799 . 1 1 66 66 MET HE3 H 1 2.084 0.03 . 1 . . . . 66 M HE1 . 16098 1 800 . 1 1 66 66 MET HG2 H 1 2.758 0.03 . 2 . . . . 66 M HG1 . 16098 1 801 . 1 1 66 66 MET HG3 H 1 2.890 0.03 . 2 . . . . 66 M HG2 . 16098 1 802 . 1 1 66 66 MET C C 13 173.076 0.3 . 1 . . . . 66 M C . 16098 1 803 . 1 1 66 66 MET CA C 13 54.493 0.3 . 1 . . . . 66 M CA . 16098 1 804 . 1 1 66 66 MET CB C 13 38.200 0.3 . 1 . . . . 66 M CB . 16098 1 805 . 1 1 66 66 MET CE C 13 17.887 0.3 . 1 . . . . 66 M CE . 16098 1 806 . 1 1 66 66 MET CG C 13 32.201 0.3 . 1 . . . . 66 M CG . 16098 1 807 . 1 1 66 66 MET N N 15 119.322 0.3 . 1 . . . . 66 M N . 16098 1 808 . 1 1 67 67 LEU H H 1 8.890 0.03 . 1 . . . . 67 L HN . 16098 1 809 . 1 1 67 67 LEU HA H 1 5.271 0.03 . 1 . . . . 67 L HA . 16098 1 810 . 1 1 67 67 LEU HB2 H 1 1.610 0.03 . 2 . . . . 67 L HB1 . 16098 1 811 . 1 1 67 67 LEU HB3 H 1 2.187 0.03 . 2 . . . . 67 L HB2 . 16098 1 812 . 1 1 67 67 LEU HD11 H 1 1.239 0.03 . 2 . . . . 67 L HD11 . 16098 1 813 . 1 1 67 67 LEU HD12 H 1 1.239 0.03 . 2 . . . . 67 L HD11 . 16098 1 814 . 1 1 67 67 LEU HD13 H 1 1.239 0.03 . 2 . . . . 67 L HD11 . 16098 1 815 . 1 1 67 67 LEU HD21 H 1 1.247 0.03 . 2 . . . . 67 L HD21 . 16098 1 816 . 1 1 67 67 LEU HD22 H 1 1.247 0.03 . 2 . . . . 67 L HD21 . 16098 1 817 . 1 1 67 67 LEU HD23 H 1 1.247 0.03 . 2 . . . . 67 L HD21 . 16098 1 818 . 1 1 67 67 LEU HG H 1 2.043 0.03 . 1 . . . . 67 L HG . 16098 1 819 . 1 1 67 67 LEU C C 13 174.061 0.3 . 1 . . . . 67 L C . 16098 1 820 . 1 1 67 67 LEU CA C 13 54.323 0.3 . 1 . . . . 67 L CA . 16098 1 821 . 1 1 67 67 LEU CB C 13 46.611 0.3 . 1 . . . . 67 L CB . 16098 1 822 . 1 1 67 67 LEU CD1 C 13 23.768 0.3 . 1 . . . . 67 L CD1 . 16098 1 823 . 1 1 67 67 LEU CD2 C 13 26.690 0.3 . 1 . . . . 67 L CD2 . 16098 1 824 . 1 1 67 67 LEU CG C 13 27.607 0.3 . 1 . . . . 67 L CG . 16098 1 825 . 1 1 67 67 LEU N N 15 126.817 0.3 . 1 . . . . 67 L N . 16098 1 826 . 1 1 68 68 LEU H H 1 9.442 0.03 . 1 . . . . 68 L HN . 16098 1 827 . 1 1 68 68 LEU HA H 1 5.329 0.03 . 1 . . . . 68 L HA . 16098 1 828 . 1 1 68 68 LEU HB2 H 1 1.715 0.03 . 2 . . . . 68 L HB1 . 16098 1 829 . 1 1 68 68 LEU HB3 H 1 2.119 0.03 . 2 . . . . 68 L HB2 . 16098 1 830 . 1 1 68 68 LEU HD11 H 1 0.930 0.03 . 2 . . . . 68 L HD11 . 16098 1 831 . 1 1 68 68 LEU HD12 H 1 0.930 0.03 . 2 . . . . 68 L HD11 . 16098 1 832 . 1 1 68 68 LEU HD13 H 1 0.930 0.03 . 2 . . . . 68 L HD11 . 16098 1 833 . 1 1 68 68 LEU HD21 H 1 1.078 0.03 . 2 . . . . 68 L HD21 . 16098 1 834 . 1 1 68 68 LEU HD22 H 1 1.078 0.03 . 2 . . . . 68 L HD21 . 16098 1 835 . 1 1 68 68 LEU HD23 H 1 1.078 0.03 . 2 . . . . 68 L HD21 . 16098 1 836 . 1 1 68 68 LEU HG H 1 1.751 0.03 . 1 . . . . 68 L HG . 16098 1 837 . 1 1 68 68 LEU C C 13 175.935 0.3 . 1 . . . . 68 L C . 16098 1 838 . 1 1 68 68 LEU CA C 13 54.493 0.3 . 1 . . . . 68 L CA . 16098 1 839 . 1 1 68 68 LEU CB C 13 45.814 0.3 . 1 . . . . 68 L CB . 16098 1 840 . 1 1 68 68 LEU CD1 C 13 24.830 0.3 . 1 . . . . 68 L CD1 . 16098 1 841 . 1 1 68 68 LEU CD2 C 13 26.424 0.3 . 1 . . . . 68 L CD2 . 16098 1 842 . 1 1 68 68 LEU CG C 13 27.807 0.3 . 1 . . . . 68 L CG . 16098 1 843 . 1 1 68 68 LEU N N 15 129.190 0.3 . 1 . . . . 68 L N . 16098 1 844 . 1 1 69 69 SER H H 1 9.460 0.03 . 1 . . . . 69 S HN . 16098 1 845 . 1 1 69 69 SER HA H 1 4.942 0.03 . 1 . . . . 69 S HA . 16098 1 846 . 1 1 69 69 SER HB2 H 1 4.060 0.03 . 2 . . . . 69 S HB1 . 16098 1 847 . 1 1 69 69 SER HB3 H 1 4.215 0.03 . 2 . . . . 69 S HB2 . 16098 1 848 . 1 1 69 69 SER C C 13 175.225 0.3 . 1 . . . . 69 S C . 16098 1 849 . 1 1 69 69 SER CA C 13 56.889 0.3 . 1 . . . . 69 S CA . 16098 1 850 . 1 1 69 69 SER CB C 13 63.417 0.3 . 1 . . . . 69 S CB . 16098 1 851 . 1 1 69 69 SER N N 15 124.219 0.3 . 1 . . . . 69 S N . 16098 1 852 . 1 1 70 70 GLY H H 1 9.179 0.03 . 1 . . . . 70 G HN . 16098 1 853 . 1 1 70 70 GLY HA2 H 1 3.823 0.03 . 2 . . . . 70 G HA1 . 16098 1 854 . 1 1 70 70 GLY HA3 H 1 4.204 0.03 . 2 . . . . 70 G HA2 . 16098 1 855 . 1 1 70 70 GLY C C 13 174.138 0.3 . 1 . . . . 70 G C . 16098 1 856 . 1 1 70 70 GLY CA C 13 47.574 0.3 . 1 . . . . 70 G CA . 16098 1 857 . 1 1 70 70 GLY N N 15 117.848 0.3 . 1 . . . . 70 G N . 16098 1 858 . 1 1 71 71 GLN H H 1 8.912 0.03 . 1 . . . . 71 Q HN . 16098 1 859 . 1 1 71 71 GLN HA H 1 4.656 0.03 . 1 . . . . 71 Q HA . 16098 1 860 . 1 1 71 71 GLN HB2 H 1 2.032 0.03 . 2 . . . . 71 Q HB1 . 16098 1 861 . 1 1 71 71 GLN HB3 H 1 2.653 0.03 . 2 . . . . 71 Q HB2 . 16098 1 862 . 1 1 71 71 GLN HE21 H 1 7.481 0.03 . 2 . . . . 71 Q HE21 . 16098 1 863 . 1 1 71 71 GLN HE22 H 1 6.922 0.03 . 2 . . . . 71 Q HE22 . 16098 1 864 . 1 1 71 71 GLN HG2 H 1 2.304 0.03 . 2 . . . . 71 Q HG1 . 16098 1 865 . 1 1 71 71 GLN HG3 H 1 2.557 0.03 . 2 . . . . 71 Q HG2 . 16098 1 866 . 1 1 71 71 GLN C C 13 172.431 0.3 . 1 . . . . 71 Q C . 16098 1 867 . 1 1 71 71 GLN CA C 13 55.642 0.3 . 1 . . . . 71 Q CA . 16098 1 868 . 1 1 71 71 GLN CB C 13 29.250 0.3 . 1 . . . . 71 Q CB . 16098 1 869 . 1 1 71 71 GLN CD C 13 179.461 0.3 . 1 . . . . 71 Q CD . 16098 1 870 . 1 1 71 71 GLN CG C 13 34.924 0.3 . 1 . . . . 71 Q CG . 16098 1 871 . 1 1 71 71 GLN N N 15 125.926 0.3 . 1 . . . . 71 Q N . 16098 1 872 . 1 1 71 71 GLN NE2 N 15 110.841 0.3 . 1 . . . . 71 Q NE2 . 16098 1 873 . 1 1 72 72 HIS H H 1 8.166 0.03 . 1 . . . . 72 H HN . 16098 1 874 . 1 1 72 72 HIS HA H 1 5.320 0.03 . 1 . . . . 72 H HA . 16098 1 875 . 1 1 72 72 HIS HB2 H 1 2.797 0.03 . 2 . . . . 72 H HB1 . 16098 1 876 . 1 1 72 72 HIS HB3 H 1 3.473 0.03 . 2 . . . . 72 H HB2 . 16098 1 877 . 1 1 72 72 HIS HD2 H 1 7.391 0.03 . 1 . . . . 72 H HD2 . 16098 1 878 . 1 1 72 72 HIS HE2 H 1 7.550 0.03 . 1 . . . . 72 H HE2 . 16098 1 879 . 1 1 72 72 HIS C C 13 174.215 0.3 . 1 . . . . 72 H C . 16098 1 880 . 1 1 72 72 HIS CA C 13 54.920 0.3 . 1 . . . . 72 H CA . 16098 1 881 . 1 1 72 72 HIS CB C 13 34.167 0.3 . 1 . . . . 72 H CB . 16098 1 882 . 1 1 72 72 HIS CD2 C 13 119.821 0.3 . 1 . . . . 72 H CD2 . 16098 1 883 . 1 1 72 72 HIS N N 15 118.423 0.3 . 1 . . . . 72 H N . 16098 1 884 . 1 1 73 73 MET H H 1 9.139 0.03 . 1 . . . . 73 M HN . 16098 1 885 . 1 1 73 73 MET HA H 1 5.070 0.03 . 1 . . . . 73 M HA . 16098 1 886 . 1 1 73 73 MET HB2 H 1 1.932 0.03 . 2 . . . . 73 M HB1 . 16098 1 887 . 1 1 73 73 MET HB3 H 1 2.322 0.03 . 2 . . . . 73 M HB2 . 16098 1 888 . 1 1 73 73 MET HE1 H 1 2.122 0.03 . 1 . . . . 73 M HE1 . 16098 1 889 . 1 1 73 73 MET HE2 H 1 2.122 0.03 . 1 . . . . 73 M HE1 . 16098 1 890 . 1 1 73 73 MET HE3 H 1 2.122 0.03 . 1 . . . . 73 M HE1 . 16098 1 891 . 1 1 73 73 MET HG2 H 1 2.460 0.03 . 2 . . . . 73 M HG1 . 16098 1 892 . 1 1 73 73 MET HG3 H 1 2.257 0.03 . 2 . . . . 73 M HG2 . 16098 1 893 . 1 1 73 73 MET C C 13 174.542 0.3 . 1 . . . . 73 M C . 16098 1 894 . 1 1 73 73 MET CA C 13 54.493 0.3 . 1 . . . . 73 M CA . 16098 1 895 . 1 1 73 73 MET CB C 13 34.568 0.3 . 1 . . . . 73 M CB . 16098 1 896 . 1 1 73 73 MET CE C 13 16.963 0.3 . 1 . . . . 73 M CE . 16098 1 897 . 1 1 73 73 MET CG C 13 31.175 0.3 . 1 . . . . 73 M CG . 16098 1 898 . 1 1 73 73 MET N N 15 128.512 0.3 . 1 . . . . 73 M N . 16098 1 899 . 1 1 74 74 ASP H H 1 8.610 0.03 . 1 . . . . 74 D HN . 16098 1 900 . 1 1 74 74 ASP HA H 1 4.668 0.03 . 1 . . . . 74 D HA . 16098 1 901 . 1 1 74 74 ASP HB2 H 1 2.550 0.03 . 2 . . . . 74 D HB1 . 16098 1 902 . 1 1 74 74 ASP HB3 H 1 2.955 0.03 . 2 . . . . 74 D HB2 . 16098 1 903 . 1 1 74 74 ASP C C 13 176.210 0.3 . 1 . . . . 74 D C . 16098 1 904 . 1 1 74 74 ASP CA C 13 56.971 0.3 . 1 . . . . 74 D CA . 16098 1 905 . 1 1 74 74 ASP CB C 13 43.158 0.3 . 1 . . . . 74 D CB . 16098 1 906 . 1 1 74 74 ASP N N 15 131.813 0.3 . 1 . . . . 74 D N . 16098 1 907 . 1 1 75 75 ALA H H 1 7.794 0.03 . 1 . . . . 75 A HN . 16098 1 908 . 1 1 75 75 ALA HA H 1 4.911 0.03 . 1 . . . . 75 A HA . 16098 1 909 . 1 1 75 75 ALA HB1 H 1 1.887 0.03 . 1 . . . . 75 A HB1 . 16098 1 910 . 1 1 75 75 ALA HB2 H 1 1.887 0.03 . 1 . . . . 75 A HB1 . 16098 1 911 . 1 1 75 75 ALA HB3 H 1 1.887 0.03 . 1 . . . . 75 A HB1 . 16098 1 912 . 1 1 75 75 ALA C C 13 174.882 0.3 . 1 . . . . 75 A C . 16098 1 913 . 1 1 75 75 ALA CA C 13 51.932 0.3 . 1 . . . . 75 A CA . 16098 1 914 . 1 1 75 75 ALA CB C 13 23.883 0.3 . 1 . . . . 75 A CB . 16098 1 915 . 1 1 75 75 ALA N N 15 115.198 0.3 . 1 . . . . 75 A N . 16098 1 916 . 1 1 76 76 LEU H H 1 7.823 0.03 . 1 . . . . 76 L HN . 16098 1 917 . 1 1 76 76 LEU HA H 1 4.946 0.03 . 1 . . . . 76 L HA . 16098 1 918 . 1 1 76 76 LEU HB2 H 1 1.778 0.03 . 2 . . . . 76 L HB1 . 16098 1 919 . 1 1 76 76 LEU HB3 H 1 1.974 0.03 . 2 . . . . 76 L HB2 . 16098 1 920 . 1 1 76 76 LEU HD11 H 1 0.873 0.03 . 2 . . . . 76 L HD11 . 16098 1 921 . 1 1 76 76 LEU HD12 H 1 0.873 0.03 . 2 . . . . 76 L HD11 . 16098 1 922 . 1 1 76 76 LEU HD13 H 1 0.873 0.03 . 2 . . . . 76 L HD11 . 16098 1 923 . 1 1 76 76 LEU HD21 H 1 1.084 0.03 . 2 . . . . 76 L HD21 . 16098 1 924 . 1 1 76 76 LEU HD22 H 1 1.084 0.03 . 2 . . . . 76 L HD21 . 16098 1 925 . 1 1 76 76 LEU HD23 H 1 1.084 0.03 . 2 . . . . 76 L HD21 . 16098 1 926 . 1 1 76 76 LEU HG H 1 1.366 0.03 . 1 . . . . 76 L HG . 16098 1 927 . 1 1 76 76 LEU C C 13 173.941 0.3 . 1 . . . . 76 L C . 16098 1 928 . 1 1 76 76 LEU CA C 13 56.426 0.3 . 1 . . . . 76 L CA . 16098 1 929 . 1 1 76 76 LEU CB C 13 42.893 0.3 . 1 . . . . 76 L CB . 16098 1 930 . 1 1 76 76 LEU CD1 C 13 26.258 0.3 . 1 . . . . 76 L CD1 . 16098 1 931 . 1 1 76 76 LEU CD2 C 13 26.444 0.3 . 1 . . . . 76 L CD2 . 16098 1 932 . 1 1 76 76 LEU CG C 13 28.549 0.3 . 1 . . . . 76 L CG . 16098 1 933 . 1 1 76 76 LEU N N 15 123.401 0.3 . 1 . . . . 76 L N . 16098 1 934 . 1 1 77 77 PHE H H 1 8.470 0.03 . 1 . . . . 77 F HN . 16098 1 935 . 1 1 77 77 PHE HA H 1 4.610 0.03 . 1 . . . . 77 F HA . 16098 1 936 . 1 1 77 77 PHE HB2 H 1 1.660 0.03 . 2 . . . . 77 F HB1 . 16098 1 937 . 1 1 77 77 PHE HB3 H 1 2.527 0.03 . 2 . . . . 77 F HB2 . 16098 1 938 . 1 1 77 77 PHE HD1 H 1 7.252 0.03 . 3 . . . . 77 F HD1 . 16098 1 939 . 1 1 77 77 PHE HE1 H 1 7.359 0.03 . 3 . . . . 77 F HE1 . 16098 1 940 . 1 1 77 77 PHE C C 13 173.280 0.3 . 1 . . . . 77 F C . 16098 1 941 . 1 1 77 77 PHE CA C 13 57.789 0.3 . 1 . . . . 77 F CA . 16098 1 942 . 1 1 77 77 PHE CB C 13 42.839 0.3 . 1 . . . . 77 F CB . 16098 1 943 . 1 1 77 77 PHE CD1 C 13 131.132 0.3 . 3 . . . . 77 F CD1 . 16098 1 944 . 1 1 77 77 PHE N N 15 123.000 0.3 . 1 . . . . 77 F N . 16098 1 945 . 1 1 78 78 ILE H H 1 7.801 0.03 . 1 . . . . 78 I HN . 16098 1 946 . 1 1 78 78 ILE HA H 1 4.608 0.03 . 1 . . . . 78 I HA . 16098 1 947 . 1 1 78 78 ILE HB H 1 1.705 0.03 . 1 . . . . 78 I HB . 16098 1 948 . 1 1 78 78 ILE HD11 H 1 0.668 0.03 . 1 . . . . 78 I HD11 . 16098 1 949 . 1 1 78 78 ILE HD12 H 1 0.668 0.03 . 1 . . . . 78 I HD11 . 16098 1 950 . 1 1 78 78 ILE HD13 H 1 0.668 0.03 . 1 . . . . 78 I HD11 . 16098 1 951 . 1 1 78 78 ILE HG12 H 1 1.001 0.03 . 1 . . . . 78 I HG11 . 16098 1 952 . 1 1 78 78 ILE HG13 H 1 1.215 0.03 . 1 . . . . 78 I HG12 . 16098 1 953 . 1 1 78 78 ILE HG21 H 1 0.883 0.03 . 1 . . . . 78 I HG21 . 16098 1 954 . 1 1 78 78 ILE HG22 H 1 0.883 0.03 . 1 . . . . 78 I HG21 . 16098 1 955 . 1 1 78 78 ILE HG23 H 1 0.883 0.03 . 1 . . . . 78 I HG21 . 16098 1 956 . 1 1 78 78 ILE C C 13 174.657 0.3 . 1 . . . . 78 I C . 16098 1 957 . 1 1 78 78 ILE CA C 13 58.564 0.3 . 1 . . . . 78 I CA . 16098 1 958 . 1 1 78 78 ILE CB C 13 40.768 0.3 . 1 . . . . 78 I CB . 16098 1 959 . 1 1 78 78 ILE CD1 C 13 13.674 0.3 . 1 . . . . 78 I CD1 . 16098 1 960 . 1 1 78 78 ILE CG1 C 13 27.221 0.3 . 1 . . . . 78 I CG1 . 16098 1 961 . 1 1 78 78 ILE CG2 C 13 17.924 0.3 . 1 . . . . 78 I CG2 . 16098 1 962 . 1 1 78 78 ILE N N 15 118.390 0.3 . 1 . . . . 78 I N . 16098 1 963 . 1 1 79 79 ASP H H 1 8.627 0.03 . 1 . . . . 79 D HN . 16098 1 964 . 1 1 79 79 ASP HA H 1 4.630 0.03 . 1 . . . . 79 D HA . 16098 1 965 . 1 1 79 79 ASP HB2 H 1 2.670 0.03 . 2 . . . . 79 D HB1 . 16098 1 966 . 1 1 79 79 ASP HB3 H 1 2.990 0.03 . 2 . . . . 79 D HB2 . 16098 1 967 . 1 1 79 79 ASP C C 13 175.888 0.3 . 1 . . . . 79 D C . 16098 1 968 . 1 1 79 79 ASP CA C 13 53.517 0.3 . 1 . . . . 79 D CA . 16098 1 969 . 1 1 79 79 ASP CB C 13 43.334 0.3 . 1 . . . . 79 D CB . 16098 1 970 . 1 1 79 79 ASP N N 15 127.276 0.3 . 1 . . . . 79 D N . 16098 1 971 . 1 1 80 80 PRO HA H 1 4.366 0.03 . 1 . . . . 80 P HA . 16098 1 972 . 1 1 80 80 PRO HB2 H 1 2.173 0.03 . 2 . . . . 80 P HB1 . 16098 1 973 . 1 1 80 80 PRO HB3 H 1 2.403 0.03 . 2 . . . . 80 P HB2 . 16098 1 974 . 1 1 80 80 PRO HD2 H 1 3.825 0.03 . 2 . . . . 80 P HD1 . 16098 1 975 . 1 1 80 80 PRO HD3 H 1 3.998 0.03 . 2 . . . . 80 P HD2 . 16098 1 976 . 1 1 80 80 PRO HG2 H 1 2.088 0.03 . 2 . . . . 80 P HG1 . 16098 1 977 . 1 1 80 80 PRO HG3 H 1 2.088 0.03 . 2 . . . . 80 P HG2 . 16098 1 978 . 1 1 80 80 PRO C C 13 178.192 0.3 . 1 . . . . 80 P C . 16098 1 979 . 1 1 80 80 PRO CA C 13 65.081 0.3 . 1 . . . . 80 P CA . 16098 1 980 . 1 1 80 80 PRO CB C 13 31.906 0.3 . 1 . . . . 80 P CB . 16098 1 981 . 1 1 80 80 PRO CD C 13 50.861 0.3 . 1 . . . . 80 P CD . 16098 1 982 . 1 1 80 80 PRO CG C 13 28.148 0.3 . 1 . . . . 80 P CG . 16098 1 983 . 1 1 81 81 ASP H H 1 9.026 0.03 . 1 . . . . 81 D HN . 16098 1 984 . 1 1 81 81 ASP HA H 1 4.701 0.03 . 1 . . . . 81 D HA . 16098 1 985 . 1 1 81 81 ASP HB2 H 1 2.792 0.03 . 2 . . . . 81 D HB1 . 16098 1 986 . 1 1 81 81 ASP HB3 H 1 2.830 0.03 . 2 . . . . 81 D HB2 . 16098 1 987 . 1 1 81 81 ASP C C 13 177.894 0.3 . 1 . . . . 81 D C . 16098 1 988 . 1 1 81 81 ASP CA C 13 56.439 0.3 . 1 . . . . 81 D CA . 16098 1 989 . 1 1 81 81 ASP CB C 13 40.500 0.3 . 1 . . . . 81 D CB . 16098 1 990 . 1 1 81 81 ASP N N 15 118.071 0.3 . 1 . . . . 81 D N . 16098 1 991 . 1 1 82 82 VAL H H 1 7.996 0.03 . 1 . . . . 82 V HN . 16098 1 992 . 1 1 82 82 VAL HA H 1 4.805 0.03 . 1 . . . . 82 V HA . 16098 1 993 . 1 1 82 82 VAL HB H 1 2.546 0.03 . 1 . . . . 82 V HB . 16098 1 994 . 1 1 82 82 VAL HG11 H 1 1.049 0.03 . 2 . . . . 82 V HG11 . 16098 1 995 . 1 1 82 82 VAL HG12 H 1 1.049 0.03 . 2 . . . . 82 V HG11 . 16098 1 996 . 1 1 82 82 VAL HG13 H 1 1.049 0.03 . 2 . . . . 82 V HG11 . 16098 1 997 . 1 1 82 82 VAL HG21 H 1 1.147 0.03 . 2 . . . . 82 V HG21 . 16098 1 998 . 1 1 82 82 VAL HG22 H 1 1.147 0.03 . 2 . . . . 82 V HG21 . 16098 1 999 . 1 1 82 82 VAL HG23 H 1 1.147 0.03 . 2 . . . . 82 V HG21 . 16098 1 1000 . 1 1 82 82 VAL C C 13 176.522 0.3 . 1 . . . . 82 V C . 16098 1 1001 . 1 1 82 82 VAL CA C 13 60.424 0.3 . 1 . . . . 82 V CA . 16098 1 1002 . 1 1 82 82 VAL CB C 13 31.441 0.3 . 1 . . . . 82 V CB . 16098 1 1003 . 1 1 82 82 VAL CG1 C 13 21.643 0.3 . 1 . . . . 82 V CG1 . 16098 1 1004 . 1 1 82 82 VAL CG2 C 13 20.580 0.3 . 1 . . . . 82 V CG2 . 16098 1 1005 . 1 1 82 82 VAL N N 15 111.350 0.3 . 1 . . . . 82 V N . 16098 1 1006 . 1 1 83 83 ARG H H 1 7.531 0.03 . 1 . . . . 83 R HN . 16098 1 1007 . 1 1 83 83 ARG HA H 1 4.230 0.03 . 1 . . . . 83 R HA . 16098 1 1008 . 1 1 83 83 ARG HB2 H 1 1.988 0.03 . 2 . . . . 83 R HB1 . 16098 1 1009 . 1 1 83 83 ARG HB3 H 1 2.025 0.03 . 2 . . . . 83 R HB2 . 16098 1 1010 . 1 1 83 83 ARG HD2 H 1 3.359 0.03 . 2 . . . . 83 R HD1 . 16098 1 1011 . 1 1 83 83 ARG HD3 H 1 3.359 0.03 . 2 . . . . 83 R HD2 . 16098 1 1012 . 1 1 83 83 ARG HG2 H 1 1.806 0.03 . 2 . . . . 83 R HG1 . 16098 1 1013 . 1 1 83 83 ARG HG3 H 1 1.806 0.03 . 2 . . . . 83 R HG2 . 16098 1 1014 . 1 1 83 83 ARG C C 13 177.255 0.3 . 1 . . . . 83 R C . 16098 1 1015 . 1 1 83 83 ARG CA C 13 57.909 0.3 . 1 . . . . 83 R CA . 16098 1 1016 . 1 1 83 83 ARG CB C 13 30.245 0.3 . 1 . . . . 83 R CB . 16098 1 1017 . 1 1 83 83 ARG CD C 13 43.517 0.3 . 1 . . . . 83 R CD . 16098 1 1018 . 1 1 83 83 ARG CG C 13 27.161 0.3 . 1 . . . . 83 R CG . 16098 1 1019 . 1 1 83 83 ARG N N 15 124.309 0.3 . 1 . . . . 83 R N . 16098 1 1020 . 1 1 84 84 GLY HA2 H 1 4.380 0.03 . 2 . . . . 84 G HA1 . 16098 1 1021 . 1 1 84 84 GLY HA3 H 1 4.094 0.03 . 2 . . . . 84 G HA2 . 16098 1 1022 . 1 1 84 84 GLY CA C 13 45.933 0.3 . 1 . . . . 84 G CA . 16098 1 1023 . 1 1 85 85 CYS HA H 1 4.802 0.03 . 1 . . . . 85 C HA . 16098 1 1024 . 1 1 85 85 CYS HB2 H 1 3.078 0.03 . 2 . . . . 85 C HB1 . 16098 1 1025 . 1 1 85 85 CYS HB3 H 1 3.295 0.03 . 2 . . . . 85 C HB2 . 16098 1 1026 . 1 1 85 85 CYS CA C 13 59.529 0.3 . 1 . . . . 85 C CA . 16098 1 1027 . 1 1 85 85 CYS CB C 13 29.067 0.3 . 1 . . . . 85 C CB . 16098 1 1028 . 1 1 86 86 GLY HA2 H 1 4.173 0.03 . 2 . . . . 86 G HA1 . 16098 1 1029 . 1 1 86 86 GLY HA3 H 1 4.283 0.03 . 2 . . . . 86 G HA2 . 16098 1 1030 . 1 1 86 86 GLY C C 13 175.283 0.3 . 1 . . . . 86 G C . 16098 1 1031 . 1 1 86 86 GLY CA C 13 46.465 0.3 . 1 . . . . 86 G CA . 16098 1 1032 . 1 1 87 87 VAL H H 1 8.619 0.03 . 1 . . . . 87 V HN . 16098 1 1033 . 1 1 87 87 VAL HA H 1 3.497 0.03 . 1 . . . . 87 V HA . 16098 1 1034 . 1 1 87 87 VAL HB H 1 2.105 0.03 . 1 . . . . 87 V HB . 16098 1 1035 . 1 1 87 87 VAL HG11 H 1 1.027 0.03 . 2 . . . . 87 V HG11 . 16098 1 1036 . 1 1 87 87 VAL HG12 H 1 1.027 0.03 . 2 . . . . 87 V HG11 . 16098 1 1037 . 1 1 87 87 VAL HG13 H 1 1.027 0.03 . 2 . . . . 87 V HG11 . 16098 1 1038 . 1 1 87 87 VAL HG21 H 1 0.830 0.03 . 2 . . . . 87 V HG21 . 16098 1 1039 . 1 1 87 87 VAL HG22 H 1 0.830 0.03 . 2 . . . . 87 V HG21 . 16098 1 1040 . 1 1 87 87 VAL HG23 H 1 0.830 0.03 . 2 . . . . 87 V HG21 . 16098 1 1041 . 1 1 87 87 VAL C C 13 177.425 0.3 . 1 . . . . 87 V C . 16098 1 1042 . 1 1 87 87 VAL CA C 13 66.447 0.3 . 1 . . . . 87 V CA . 16098 1 1043 . 1 1 87 87 VAL CB C 13 31.682 0.3 . 1 . . . . 87 V CB . 16098 1 1044 . 1 1 87 87 VAL CG1 C 13 23.237 0.3 . 1 . . . . 87 V CG1 . 16098 1 1045 . 1 1 87 87 VAL CG2 C 13 22.440 0.3 . 1 . . . . 87 V CG2 . 16098 1 1046 . 1 1 87 87 VAL N N 15 120.997 0.3 . 1 . . . . 87 V N . 16098 1 1047 . 1 1 88 88 GLY H H 1 8.248 0.03 . 1 . . . . 88 G HN . 16098 1 1048 . 1 1 88 88 GLY HA2 H 1 3.537 0.03 . 2 . . . . 88 G HA1 . 16098 1 1049 . 1 1 88 88 GLY HA3 H 1 3.613 0.03 . 2 . . . . 88 G HA2 . 16098 1 1050 . 1 1 88 88 GLY C C 13 175.052 0.3 . 1 . . . . 88 G C . 16098 1 1051 . 1 1 88 88 GLY CA C 13 47.940 0.3 . 1 . . . . 88 G CA . 16098 1 1052 . 1 1 88 88 GLY N N 15 106.000 0.3 . 1 . . . . 88 G N . 16098 1 1053 . 1 1 89 89 ARG H H 1 8.250 0.03 . 1 . . . . 89 R HN . 16098 1 1054 . 1 1 89 89 ARG HA H 1 4.118 0.03 . 1 . . . . 89 R HA . 16098 1 1055 . 1 1 89 89 ARG HB2 H 1 2.082 0.03 . 2 . . . . 89 R HB1 . 16098 1 1056 . 1 1 89 89 ARG HB3 H 1 2.082 0.03 . 2 . . . . 89 R HB2 . 16098 1 1057 . 1 1 89 89 ARG HD2 H 1 3.356 0.03 . 2 . . . . 89 R HD1 . 16098 1 1058 . 1 1 89 89 ARG HD3 H 1 3.356 0.03 . 2 . . . . 89 R HD2 . 16098 1 1059 . 1 1 89 89 ARG HG2 H 1 1.784 0.03 . 2 . . . . 89 R HG1 . 16098 1 1060 . 1 1 89 89 ARG HG3 H 1 1.852 0.03 . 2 . . . . 89 R HG2 . 16098 1 1061 . 1 1 89 89 ARG C C 13 177.608 0.3 . 1 . . . . 89 R C . 16098 1 1062 . 1 1 89 89 ARG CA C 13 60.424 0.3 . 1 . . . . 89 R CA . 16098 1 1063 . 1 1 89 89 ARG CB C 13 29.757 0.3 . 1 . . . . 89 R CB . 16098 1 1064 . 1 1 89 89 ARG CD C 13 43.508 0.3 . 1 . . . . 89 R CD . 16098 1 1065 . 1 1 89 89 ARG CG C 13 28.265 0.3 . 1 . . . . 89 R CG . 16098 1 1066 . 1 1 89 89 ARG N N 15 121.065 0.3 . 1 . . . . 89 R N . 16098 1 1067 . 1 1 90 90 VAL H H 1 7.853 0.03 . 1 . . . . 90 V HN . 16098 1 1068 . 1 1 90 90 VAL HA H 1 3.944 0.03 . 1 . . . . 90 V HA . 16098 1 1069 . 1 1 90 90 VAL HB H 1 2.270 0.03 . 1 . . . . 90 V HB . 16098 1 1070 . 1 1 90 90 VAL HG11 H 1 1.215 0.03 . 2 . . . . 90 V HG11 . 16098 1 1071 . 1 1 90 90 VAL HG12 H 1 1.215 0.03 . 2 . . . . 90 V HG11 . 16098 1 1072 . 1 1 90 90 VAL HG13 H 1 1.215 0.03 . 2 . . . . 90 V HG11 . 16098 1 1073 . 1 1 90 90 VAL HG21 H 1 1.063 0.03 . 2 . . . . 90 V HG21 . 16098 1 1074 . 1 1 90 90 VAL HG22 H 1 1.063 0.03 . 2 . . . . 90 V HG21 . 16098 1 1075 . 1 1 90 90 VAL HG23 H 1 1.063 0.03 . 2 . . . . 90 V HG21 . 16098 1 1076 . 1 1 90 90 VAL C C 13 179.692 0.3 . 1 . . . . 90 V C . 16098 1 1077 . 1 1 90 90 VAL CA C 13 66.533 0.3 . 1 . . . . 90 V CA . 16098 1 1078 . 1 1 90 90 VAL CB C 13 31.736 0.3 . 1 . . . . 90 V CB . 16098 1 1079 . 1 1 90 90 VAL CG1 C 13 22.971 0.3 . 1 . . . . 90 V CG1 . 16098 1 1080 . 1 1 90 90 VAL CG2 C 13 21.643 0.3 . 1 . . . . 90 V CG2 . 16098 1 1081 . 1 1 90 90 VAL N N 15 117.956 0.3 . 1 . . . . 90 V N . 16098 1 1082 . 1 1 91 91 LEU H H 1 7.921 0.03 . 1 . . . . 91 L HN . 16098 1 1083 . 1 1 91 91 LEU HA H 1 4.144 0.03 . 1 . . . . 91 L HA . 16098 1 1084 . 1 1 91 91 LEU HB2 H 1 1.785 0.03 . 2 . . . . 91 L HB1 . 16098 1 1085 . 1 1 91 91 LEU HB3 H 1 2.122 0.03 . 2 . . . . 91 L HB2 . 16098 1 1086 . 1 1 91 91 LEU HD11 H 1 0.918 0.03 . 2 . . . . 91 L HD11 . 16098 1 1087 . 1 1 91 91 LEU HD12 H 1 0.918 0.03 . 2 . . . . 91 L HD11 . 16098 1 1088 . 1 1 91 91 LEU HD13 H 1 0.918 0.03 . 2 . . . . 91 L HD11 . 16098 1 1089 . 1 1 91 91 LEU HD21 H 1 0.748 0.03 . 2 . . . . 91 L HD21 . 16098 1 1090 . 1 1 91 91 LEU HD22 H 1 0.748 0.03 . 2 . . . . 91 L HD21 . 16098 1 1091 . 1 1 91 91 LEU HD23 H 1 0.748 0.03 . 2 . . . . 91 L HD21 . 16098 1 1092 . 1 1 91 91 LEU HG H 1 1.661 0.03 . 1 . . . . 91 L HG . 16098 1 1093 . 1 1 91 91 LEU C C 13 178.441 0.3 . 1 . . . . 91 L C . 16098 1 1094 . 1 1 91 91 LEU CA C 13 58.856 0.3 . 1 . . . . 91 L CA . 16098 1 1095 . 1 1 91 91 LEU CB C 13 41.727 0.3 . 1 . . . . 91 L CB . 16098 1 1096 . 1 1 91 91 LEU CD1 C 13 22.971 0.3 . 1 . . . . 91 L CD1 . 16098 1 1097 . 1 1 91 91 LEU CD2 C 13 26.127 0.3 . 1 . . . . 91 L CD2 . 16098 1 1098 . 1 1 91 91 LEU CG C 13 27.752 0.3 . 1 . . . . 91 L CG . 16098 1 1099 . 1 1 91 91 LEU N N 15 121.226 0.3 . 1 . . . . 91 L N . 16098 1 1100 . 1 1 92 92 VAL H H 1 8.540 0.03 . 1 . . . . 92 V HN . 16098 1 1101 . 1 1 92 92 VAL HA H 1 3.722 0.03 . 1 . . . . 92 V HA . 16098 1 1102 . 1 1 92 92 VAL HB H 1 2.397 0.03 . 1 . . . . 92 V HB . 16098 1 1103 . 1 1 92 92 VAL HG11 H 1 1.378 0.03 . 2 . . . . 92 V HG11 . 16098 1 1104 . 1 1 92 92 VAL HG12 H 1 1.378 0.03 . 2 . . . . 92 V HG11 . 16098 1 1105 . 1 1 92 92 VAL HG13 H 1 1.378 0.03 . 2 . . . . 92 V HG11 . 16098 1 1106 . 1 1 92 92 VAL HG21 H 1 1.089 0.03 . 2 . . . . 92 V HG21 . 16098 1 1107 . 1 1 92 92 VAL HG22 H 1 1.089 0.03 . 2 . . . . 92 V HG21 . 16098 1 1108 . 1 1 92 92 VAL HG23 H 1 1.089 0.03 . 2 . . . . 92 V HG21 . 16098 1 1109 . 1 1 92 92 VAL C C 13 177.548 0.3 . 1 . . . . 92 V C . 16098 1 1110 . 1 1 92 92 VAL CA C 13 67.595 0.3 . 1 . . . . 92 V CA . 16098 1 1111 . 1 1 92 92 VAL CB C 13 31.782 0.3 . 1 . . . . 92 V CB . 16098 1 1112 . 1 1 92 92 VAL CG1 C 13 24.635 0.3 . 1 . . . . 92 V CG1 . 16098 1 1113 . 1 1 92 92 VAL CG2 C 13 21.643 0.3 . 1 . . . . 92 V CG2 . 16098 1 1114 . 1 1 92 92 VAL N N 15 120.263 0.3 . 1 . . . . 92 V N . 16098 1 1115 . 1 1 93 93 GLU H H 1 8.865 0.03 . 1 . . . . 93 E HN . 16098 1 1116 . 1 1 93 93 GLU HA H 1 3.937 0.03 . 1 . . . . 93 E HA . 16098 1 1117 . 1 1 93 93 GLU HB2 H 1 2.120 0.03 . 2 . . . . 93 E HB1 . 16098 1 1118 . 1 1 93 93 GLU HB3 H 1 2.272 0.03 . 2 . . . . 93 E HB2 . 16098 1 1119 . 1 1 93 93 GLU HG2 H 1 2.335 0.03 . 2 . . . . 93 E HG1 . 16098 1 1120 . 1 1 93 93 GLU HG3 H 1 2.657 0.03 . 2 . . . . 93 E HG2 . 16098 1 1121 . 1 1 93 93 GLU C C 13 179.643 0.3 . 1 . . . . 93 E C . 16098 1 1122 . 1 1 93 93 GLU CA C 13 60.158 0.3 . 1 . . . . 93 E CA . 16098 1 1123 . 1 1 93 93 GLU CB C 13 29.137 0.3 . 1 . . . . 93 E CB . 16098 1 1124 . 1 1 93 93 GLU CG C 13 37.580 0.3 . 1 . . . . 93 E CG . 16098 1 1125 . 1 1 93 93 GLU N N 15 118.928 0.3 . 1 . . . . 93 E N . 16098 1 1126 . 1 1 94 94 HIS H H 1 8.114 0.03 . 1 . . . . 94 H HN . 16098 1 1127 . 1 1 94 94 HIS HA H 1 4.357 0.03 . 1 . . . . 94 H HA . 16098 1 1128 . 1 1 94 94 HIS HB2 H 1 3.053 0.03 . 2 . . . . 94 H HB1 . 16098 1 1129 . 1 1 94 94 HIS HB3 H 1 3.217 0.03 . 2 . . . . 94 H HB2 . 16098 1 1130 . 1 1 94 94 HIS HD2 H 1 5.544 0.03 . 1 . . . . 94 H HD2 . 16098 1 1131 . 1 1 94 94 HIS HE1 H 1 7.516 0.03 . 1 . . . . 94 H HE1 . 16098 1 1132 . 1 1 94 94 HIS C C 13 178.842 0.3 . 1 . . . . 94 H C . 16098 1 1133 . 1 1 94 94 HIS CA C 13 59.958 0.3 . 1 . . . . 94 H CA . 16098 1 1134 . 1 1 94 94 HIS CB C 13 31.384 0.3 . 1 . . . . 94 H CB . 16098 1 1135 . 1 1 94 94 HIS CD2 C 13 115.083 0.3 . 1 . . . . 94 H CD2 . 16098 1 1136 . 1 1 94 94 HIS CE1 C 13 137.003 0.3 . 1 . . . . 94 H CE1 . 16098 1 1137 . 1 1 94 94 HIS N N 15 120.883 0.3 . 1 . . . . 94 H N . 16098 1 1138 . 1 1 95 95 ALA H H 1 8.425 0.03 . 1 . . . . 95 A HN . 16098 1 1139 . 1 1 95 95 ALA HA H 1 3.757 0.03 . 1 . . . . 95 A HA . 16098 1 1140 . 1 1 95 95 ALA HB1 H 1 1.756 0.03 . 1 . . . . 95 A HB1 . 16098 1 1141 . 1 1 95 95 ALA HB2 H 1 1.756 0.03 . 1 . . . . 95 A HB1 . 16098 1 1142 . 1 1 95 95 ALA HB3 H 1 1.756 0.03 . 1 . . . . 95 A HB1 . 16098 1 1143 . 1 1 95 95 ALA C C 13 179.471 0.3 . 1 . . . . 95 A C . 16098 1 1144 . 1 1 95 95 ALA CA C 13 56.174 0.3 . 1 . . . . 95 A CA . 16098 1 1145 . 1 1 95 95 ALA CB C 13 19.252 0.3 . 1 . . . . 95 A CB . 16098 1 1146 . 1 1 95 95 ALA N N 15 123.788 0.3 . 1 . . . . 95 A N . 16098 1 1147 . 1 1 96 96 LEU H H 1 8.645 0.03 . 1 . . . . 96 L HN . 16098 1 1148 . 1 1 96 96 LEU HA H 1 4.146 0.03 . 1 . . . . 96 L HA . 16098 1 1149 . 1 1 96 96 LEU HB2 H 1 1.283 0.03 . 2 . . . . 96 L HB1 . 16098 1 1150 . 1 1 96 96 LEU HB3 H 1 1.687 0.03 . 2 . . . . 96 L HB2 . 16098 1 1151 . 1 1 96 96 LEU HD11 H 1 0.328 0.03 . 2 . . . . 96 L HD11 . 16098 1 1152 . 1 1 96 96 LEU HD12 H 1 0.328 0.03 . 2 . . . . 96 L HD11 . 16098 1 1153 . 1 1 96 96 LEU HD13 H 1 0.328 0.03 . 2 . . . . 96 L HD11 . 16098 1 1154 . 1 1 96 96 LEU HD21 H 1 0.313 0.03 . 2 . . . . 96 L HD21 . 16098 1 1155 . 1 1 96 96 LEU HD22 H 1 0.313 0.03 . 2 . . . . 96 L HD21 . 16098 1 1156 . 1 1 96 96 LEU HD23 H 1 0.313 0.03 . 2 . . . . 96 L HD21 . 16098 1 1157 . 1 1 96 96 LEU HG H 1 1.508 0.03 . 1 . . . . 96 L HG . 16098 1 1158 . 1 1 96 96 LEU C C 13 179.234 0.3 . 1 . . . . 96 L C . 16098 1 1159 . 1 1 96 96 LEU CA C 13 56.716 0.3 . 1 . . . . 96 L CA . 16098 1 1160 . 1 1 96 96 LEU CB C 13 42.369 0.3 . 1 . . . . 96 L CB . 16098 1 1161 . 1 1 96 96 LEU CD1 C 13 25.162 0.3 . 1 . . . . 96 L CD1 . 16098 1 1162 . 1 1 96 96 LEU CD2 C 13 23.768 0.3 . 1 . . . . 96 L CD2 . 16098 1 1163 . 1 1 96 96 LEU CG C 13 26.424 0.3 . 1 . . . . 96 L CG . 16098 1 1164 . 1 1 96 96 LEU N N 15 117.727 0.3 . 1 . . . . 96 L N . 16098 1 1165 . 1 1 97 97 SER H H 1 7.588 0.03 . 1 . . . . 97 S HN . 16098 1 1166 . 1 1 97 97 SER HA H 1 4.226 0.03 . 1 . . . . 97 S HA . 16098 1 1167 . 1 1 97 97 SER HB2 H 1 3.999 0.03 . 2 . . . . 97 S HB1 . 16098 1 1168 . 1 1 97 97 SER HB3 H 1 3.999 0.03 . 2 . . . . 97 S HB2 . 16098 1 1169 . 1 1 97 97 SER C C 13 175.022 0.3 . 1 . . . . 97 S C . 16098 1 1170 . 1 1 97 97 SER CA C 13 61.080 0.3 . 1 . . . . 97 S CA . 16098 1 1171 . 1 1 97 97 SER CB C 13 63.031 0.3 . 1 . . . . 97 S CB . 16098 1 1172 . 1 1 97 97 SER N N 15 114.376 0.3 . 1 . . . . 97 S N . 16098 1 1173 . 1 1 98 98 MET H H 1 7.254 0.03 . 1 . . . . 98 M HN . 16098 1 1174 . 1 1 98 98 MET HA H 1 4.521 0.03 . 1 . . . . 98 M HA . 16098 1 1175 . 1 1 98 98 MET HB2 H 1 1.997 0.03 . 2 . . . . 98 M HB1 . 16098 1 1176 . 1 1 98 98 MET HB3 H 1 2.128 0.03 . 2 . . . . 98 M HB2 . 16098 1 1177 . 1 1 98 98 MET HE1 H 1 1.451 0.03 . 1 . . . . 98 M HE1 . 16098 1 1178 . 1 1 98 98 MET HE2 H 1 1.451 0.03 . 1 . . . . 98 M HE1 . 16098 1 1179 . 1 1 98 98 MET HE3 H 1 1.451 0.03 . 1 . . . . 98 M HE1 . 16098 1 1180 . 1 1 98 98 MET HG2 H 1 2.249 0.03 . 2 . . . . 98 M HG1 . 16098 1 1181 . 1 1 98 98 MET HG3 H 1 2.409 0.03 . 2 . . . . 98 M HG2 . 16098 1 1182 . 1 1 98 98 MET C C 13 175.642 0.3 . 1 . . . . 98 M C . 16098 1 1183 . 1 1 98 98 MET CA C 13 56.174 0.3 . 1 . . . . 98 M CA . 16098 1 1184 . 1 1 98 98 MET CB C 13 34.685 0.3 . 1 . . . . 98 M CB . 16098 1 1185 . 1 1 98 98 MET CE C 13 16.559 0.3 . 1 . . . . 98 M CE . 16098 1 1186 . 1 1 98 98 MET CG C 13 31.736 0.3 . 1 . . . . 98 M CG . 16098 1 1187 . 1 1 98 98 MET N N 15 119.785 0.3 . 1 . . . . 98 M N . 16098 1 1188 . 1 1 99 99 ALA H H 1 8.156 0.03 . 1 . . . . 99 A HN . 16098 1 1189 . 1 1 99 99 ALA HA H 1 4.892 0.03 . 1 . . . . 99 A HA . 16098 1 1190 . 1 1 99 99 ALA HB1 H 1 1.421 0.03 . 1 . . . . 99 A HB1 . 16098 1 1191 . 1 1 99 99 ALA HB2 H 1 1.421 0.03 . 1 . . . . 99 A HB1 . 16098 1 1192 . 1 1 99 99 ALA HB3 H 1 1.421 0.03 . 1 . . . . 99 A HB1 . 16098 1 1193 . 1 1 99 99 ALA C C 13 172.368 0.3 . 1 . . . . 99 A C . 16098 1 1194 . 1 1 99 99 ALA CA C 13 50.054 0.3 . 1 . . . . 99 A CA . 16098 1 1195 . 1 1 99 99 ALA CB C 13 20.049 0.3 . 1 . . . . 99 A CB . 16098 1 1196 . 1 1 99 99 ALA N N 15 125.177 0.3 . 1 . . . . 99 A N . 16098 1 1197 . 1 1 100 100 PRO HA H 1 4.506 0.03 . 1 . . . . 100 P HA . 16098 1 1198 . 1 1 100 100 PRO HB2 H 1 2.114 0.03 . 2 . . . . 100 P HB1 . 16098 1 1199 . 1 1 100 100 PRO HB3 H 1 2.507 0.03 . 2 . . . . 100 P HB2 . 16098 1 1200 . 1 1 100 100 PRO HD2 H 1 3.526 0.03 . 2 . . . . 100 P HD1 . 16098 1 1201 . 1 1 100 100 PRO HD3 H 1 3.853 0.03 . 2 . . . . 100 P HD2 . 16098 1 1202 . 1 1 100 100 PRO HG2 H 1 2.157 0.03 . 2 . . . . 100 P HG1 . 16098 1 1203 . 1 1 100 100 PRO HG3 H 1 2.130 0.03 . 2 . . . . 100 P HG2 . 16098 1 1204 . 1 1 100 100 PRO C C 13 178.105 0.3 . 1 . . . . 100 P C . 16098 1 1205 . 1 1 100 100 PRO CA C 13 64.408 0.3 . 1 . . . . 100 P CA . 16098 1 1206 . 1 1 100 100 PRO CB C 13 32.533 0.3 . 1 . . . . 100 P CB . 16098 1 1207 . 1 1 100 100 PRO CD C 13 49.929 0.3 . 1 . . . . 100 P CD . 16098 1 1208 . 1 1 100 100 PRO CG C 13 27.498 0.3 . 1 . . . . 100 P CG . 16098 1 1209 . 1 1 101 101 GLU H H 1 8.308 0.03 . 1 . . . . 101 E HN . 16098 1 1210 . 1 1 101 101 GLU HA H 1 4.837 0.03 . 1 . . . . 101 E HA . 16098 1 1211 . 1 1 101 101 GLU HB2 H 1 1.941 0.03 . 2 . . . . 101 E HB1 . 16098 1 1212 . 1 1 101 101 GLU HB3 H 1 2.290 0.03 . 2 . . . . 101 E HB2 . 16098 1 1213 . 1 1 101 101 GLU HG2 H 1 2.288 0.03 . 2 . . . . 101 E HG1 . 16098 1 1214 . 1 1 101 101 GLU HG3 H 1 2.351 0.03 . 2 . . . . 101 E HG2 . 16098 1 1215 . 1 1 101 101 GLU C C 13 175.088 0.3 . 1 . . . . 101 E C . 16098 1 1216 . 1 1 101 101 GLU CA C 13 54.580 0.3 . 1 . . . . 101 E CA . 16098 1 1217 . 1 1 101 101 GLU CB C 13 28.549 0.3 . 1 . . . . 101 E CB . 16098 1 1218 . 1 1 101 101 GLU CG C 13 36.882 0.3 . 1 . . . . 101 E CG . 16098 1 1219 . 1 1 101 101 GLU N N 15 117.905 0.3 . 1 . . . . 101 E N . 16098 1 1220 . 1 1 102 102 LEU H H 1 6.848 0.03 . 1 . . . . 102 L HN . 16098 1 1221 . 1 1 102 102 LEU HA H 1 4.994 0.03 . 1 . . . . 102 L HA . 16098 1 1222 . 1 1 102 102 LEU HB2 H 1 1.660 0.03 . 2 . . . . 102 L HB1 . 16098 1 1223 . 1 1 102 102 LEU HB3 H 1 2.111 0.03 . 2 . . . . 102 L HB2 . 16098 1 1224 . 1 1 102 102 LEU HD11 H 1 1.146 0.03 . 2 . . . . 102 L HD11 . 16098 1 1225 . 1 1 102 102 LEU HD12 H 1 1.146 0.03 . 2 . . . . 102 L HD11 . 16098 1 1226 . 1 1 102 102 LEU HD13 H 1 1.146 0.03 . 2 . . . . 102 L HD11 . 16098 1 1227 . 1 1 102 102 LEU HD21 H 1 1.033 0.03 . 2 . . . . 102 L HD21 . 16098 1 1228 . 1 1 102 102 LEU HD22 H 1 1.033 0.03 . 2 . . . . 102 L HD21 . 16098 1 1229 . 1 1 102 102 LEU HD23 H 1 1.033 0.03 . 2 . . . . 102 L HD21 . 16098 1 1230 . 1 1 102 102 LEU HG H 1 1.749 0.03 . 1 . . . . 102 L HG . 16098 1 1231 . 1 1 102 102 LEU C C 13 176.422 0.3 . 1 . . . . 102 L C . 16098 1 1232 . 1 1 102 102 LEU CA C 13 55.860 0.3 . 1 . . . . 102 L CA . 16098 1 1233 . 1 1 102 102 LEU CB C 13 45.283 0.3 . 1 . . . . 102 L CB . 16098 1 1234 . 1 1 102 102 LEU CD1 C 13 25.362 0.3 . 1 . . . . 102 L CD1 . 16098 1 1235 . 1 1 102 102 LEU CD2 C 13 28.283 0.3 . 1 . . . . 102 L CD2 . 16098 1 1236 . 1 1 102 102 LEU CG C 13 26.960 0.3 . 1 . . . . 102 L CG . 16098 1 1237 . 1 1 102 102 LEU N N 15 121.157 0.3 . 1 . . . . 102 L N . 16098 1 1238 . 1 1 103 103 THR H H 1 8.902 0.03 . 1 . . . . 103 T HN . 16098 1 1239 . 1 1 103 103 THR HA H 1 5.488 0.03 . 1 . . . . 103 T HA . 16098 1 1240 . 1 1 103 103 THR HB H 1 4.993 0.03 . 1 . . . . 103 T HB . 16098 1 1241 . 1 1 103 103 THR HG21 H 1 1.537 0.03 . 1 . . . . 103 T HG21 . 16098 1 1242 . 1 1 103 103 THR HG22 H 1 1.537 0.03 . 1 . . . . 103 T HG21 . 16098 1 1243 . 1 1 103 103 THR HG23 H 1 1.537 0.03 . 1 . . . . 103 T HG21 . 16098 1 1244 . 1 1 103 103 THR C C 13 174.296 0.3 . 1 . . . . 103 T C . 16098 1 1245 . 1 1 103 103 THR CA C 13 59.892 0.3 . 1 . . . . 103 T CA . 16098 1 1246 . 1 1 103 103 THR CB C 13 72.209 0.3 . 1 . . . . 103 T CB . 16098 1 1247 . 1 1 103 103 THR CG2 C 13 22.015 0.3 . 1 . . . . 103 T CG2 . 16098 1 1248 . 1 1 103 103 THR N N 15 116.086 0.3 . 1 . . . . 103 T N . 16098 1 1249 . 1 1 104 104 THR H H 1 8.596 0.03 . 1 . . . . 104 T HN . 16098 1 1250 . 1 1 104 104 THR HA H 1 3.877 0.03 . 1 . . . . 104 T HA . 16098 1 1251 . 1 1 104 104 THR HB H 1 3.994 0.03 . 1 . . . . 104 T HB . 16098 1 1252 . 1 1 104 104 THR HG21 H 1 -0.099 0.03 . 1 . . . . 104 T HG21 . 16098 1 1253 . 1 1 104 104 THR HG22 H 1 -0.099 0.03 . 1 . . . . 104 T HG21 . 16098 1 1254 . 1 1 104 104 THR HG23 H 1 -0.099 0.03 . 1 . . . . 104 T HG21 . 16098 1 1255 . 1 1 104 104 THR C C 13 170.076 0.3 . 1 . . . . 104 T C . 16098 1 1256 . 1 1 104 104 THR CA C 13 62.814 0.3 . 1 . . . . 104 T CA . 16098 1 1257 . 1 1 104 104 THR CB C 13 69.189 0.3 . 1 . . . . 104 T CB . 16098 1 1258 . 1 1 104 104 THR CG2 C 13 17.290 0.3 . 1 . . . . 104 T CG2 . 16098 1 1259 . 1 1 104 104 THR N N 15 111.995 0.3 . 1 . . . . 104 T N . 16098 1 1260 . 1 1 105 105 ASN H H 1 8.483 0.03 . 1 . . . . 105 N HN . 16098 1 1261 . 1 1 105 105 ASN HA H 1 6.200 0.03 . 1 . . . . 105 N HA . 16098 1 1262 . 1 1 105 105 ASN HB2 H 1 2.775 0.03 . 2 . . . . 105 N HB1 . 16098 1 1263 . 1 1 105 105 ASN HB3 H 1 3.166 0.03 . 2 . . . . 105 N HB2 . 16098 1 1264 . 1 1 105 105 ASN HD21 H 1 8.250 0.03 . 2 . . . . 105 N HD21 . 16098 1 1265 . 1 1 105 105 ASN HD22 H 1 7.406 0.03 . 2 . . . . 105 N HD22 . 16098 1 1266 . 1 1 105 105 ASN C C 13 174.176 0.3 . 1 . . . . 105 N C . 16098 1 1267 . 1 1 105 105 ASN CA C 13 51.500 0.3 . 1 . . . . 105 N CA . 16098 1 1268 . 1 1 105 105 ASN CB C 13 42.096 0.3 . 1 . . . . 105 N CB . 16098 1 1269 . 1 1 105 105 ASN N N 15 121.187 0.3 . 1 . . . . 105 N N . 16098 1 1270 . 1 1 105 105 ASN ND2 N 15 115.560 0.3 . 1 . . . . 105 N ND2 . 16098 1 1271 . 1 1 106 106 VAL H H 1 8.855 0.03 . 1 . . . . 106 V HN . 16098 1 1272 . 1 1 106 106 VAL HA H 1 4.880 0.03 . 1 . . . . 106 V HA . 16098 1 1273 . 1 1 106 106 VAL HB H 1 2.041 0.03 . 1 . . . . 106 V HB . 16098 1 1274 . 1 1 106 106 VAL HG11 H 1 1.032 0.03 . 2 . . . . 106 V HG11 . 16098 1 1275 . 1 1 106 106 VAL HG12 H 1 1.032 0.03 . 2 . . . . 106 V HG11 . 16098 1 1276 . 1 1 106 106 VAL HG13 H 1 1.032 0.03 . 2 . . . . 106 V HG11 . 16098 1 1277 . 1 1 106 106 VAL HG21 H 1 1.288 0.03 . 2 . . . . 106 V HG21 . 16098 1 1278 . 1 1 106 106 VAL HG22 H 1 1.288 0.03 . 2 . . . . 106 V HG21 . 16098 1 1279 . 1 1 106 106 VAL HG23 H 1 1.288 0.03 . 2 . . . . 106 V HG21 . 16098 1 1280 . 1 1 106 106 VAL C C 13 173.443 0.3 . 1 . . . . 106 V C . 16098 1 1281 . 1 1 106 106 VAL CA C 13 59.445 0.3 . 1 . . . . 106 V CA . 16098 1 1282 . 1 1 106 106 VAL CB C 13 35.986 0.3 . 1 . . . . 106 V CB . 16098 1 1283 . 1 1 106 106 VAL CG1 C 13 22.440 0.3 . 1 . . . . 106 V CG1 . 16098 1 1284 . 1 1 106 106 VAL CG2 C 13 22.971 0.3 . 1 . . . . 106 V CG2 . 16098 1 1285 . 1 1 106 106 VAL N N 15 117.635 0.3 . 1 . . . . 106 V N . 16098 1 1286 . 1 1 107 107 ASN H H 1 9.042 0.03 . 1 . . . . 107 N HN . 16098 1 1287 . 1 1 107 107 ASN HA H 1 5.034 0.03 . 1 . . . . 107 N HA . 16098 1 1288 . 1 1 107 107 ASN HB2 H 1 2.436 0.03 . 2 . . . . 107 N HB1 . 16098 1 1289 . 1 1 107 107 ASN HB3 H 1 3.280 0.03 . 2 . . . . 107 N HB2 . 16098 1 1290 . 1 1 107 107 ASN HD21 H 1 8.861 0.03 . 2 . . . . 107 N HD21 . 16098 1 1291 . 1 1 107 107 ASN HD22 H 1 7.025 0.03 . 2 . . . . 107 N HD22 . 16098 1 1292 . 1 1 107 107 ASN C C 13 175.859 0.3 . 1 . . . . 107 N C . 16098 1 1293 . 1 1 107 107 ASN CA C 13 56.372 0.3 . 1 . . . . 107 N CA . 16098 1 1294 . 1 1 107 107 ASN CB C 13 39.466 0.3 . 1 . . . . 107 N CB . 16098 1 1295 . 1 1 107 107 ASN N N 15 125.398 0.3 . 1 . . . . 107 N N . 16098 1 1296 . 1 1 107 107 ASN ND2 N 15 112.780 0.3 . 1 . . . . 107 N ND2 . 16098 1 1297 . 1 1 108 108 GLU H H 1 8.826 0.03 . 1 . . . . 108 E HN . 16098 1 1298 . 1 1 108 108 GLU HA H 1 3.780 0.03 . 1 . . . . 108 E HA . 16098 1 1299 . 1 1 108 108 GLU HB2 H 1 1.822 0.03 . 2 . . . . 108 E HB1 . 16098 1 1300 . 1 1 108 108 GLU HB3 H 1 2.090 0.03 . 2 . . . . 108 E HB2 . 16098 1 1301 . 1 1 108 108 GLU HG2 H 1 2.215 0.03 . 2 . . . . 108 E HG1 . 16098 1 1302 . 1 1 108 108 GLU HG3 H 1 2.335 0.03 . 2 . . . . 108 E HG2 . 16098 1 1303 . 1 1 108 108 GLU C C 13 176.571 0.3 . 1 . . . . 108 E C . 16098 1 1304 . 1 1 108 108 GLU CA C 13 59.095 0.3 . 1 . . . . 108 E CA . 16098 1 1305 . 1 1 108 108 GLU CB C 13 31.582 0.3 . 1 . . . . 108 E CB . 16098 1 1306 . 1 1 108 108 GLU CG C 13 36.889 0.3 . 1 . . . . 108 E CG . 16098 1 1307 . 1 1 108 108 GLU N N 15 127.326 0.3 . 1 . . . . 108 E N . 16098 1 1308 . 1 1 109 109 GLN H H 1 8.228 0.03 . 1 . . . . 109 Q HN . 16098 1 1309 . 1 1 109 109 GLN HA H 1 4.103 0.03 . 1 . . . . 109 Q HA . 16098 1 1310 . 1 1 109 109 GLN HB2 H 1 0.491 0.03 . 2 . . . . 109 Q HB1 . 16098 1 1311 . 1 1 109 109 GLN HB3 H 1 1.732 0.03 . 2 . . . . 109 Q HB2 . 16098 1 1312 . 1 1 109 109 GLN HE21 H 1 7.908 0.03 . 2 . . . . 109 Q HE21 . 16098 1 1313 . 1 1 109 109 GLN HE22 H 1 7.214 0.03 . 2 . . . . 109 Q HE22 . 16098 1 1314 . 1 1 109 109 GLN HG2 H 1 2.269 0.03 . 2 . . . . 109 Q HG1 . 16098 1 1315 . 1 1 109 109 GLN HG3 H 1 2.462 0.03 . 2 . . . . 109 Q HG2 . 16098 1 1316 . 1 1 109 109 GLN C C 13 175.495 0.3 . 1 . . . . 109 Q C . 16098 1 1317 . 1 1 109 109 GLN CA C 13 56.372 0.3 . 1 . . . . 109 Q CA . 16098 1 1318 . 1 1 109 109 GLN CB C 13 29.877 0.3 . 1 . . . . 109 Q CB . 16098 1 1319 . 1 1 109 109 GLN CG C 13 36.252 0.3 . 1 . . . . 109 Q CG . 16098 1 1320 . 1 1 109 109 GLN N N 15 111.281 0.3 . 1 . . . . 109 Q N . 16098 1 1321 . 1 1 109 109 GLN NE2 N 15 111.848 0.3 . 1 . . . . 109 Q NE2 . 16098 1 1322 . 1 1 110 110 ASN H H 1 7.579 0.03 . 1 . . . . 110 N HN . 16098 1 1323 . 1 1 110 110 ASN HA H 1 5.143 0.03 . 1 . . . . 110 N HA . 16098 1 1324 . 1 1 110 110 ASN HB2 H 1 2.381 0.03 . 2 . . . . 110 N HB1 . 16098 1 1325 . 1 1 110 110 ASN HB3 H 1 3.729 0.03 . 2 . . . . 110 N HB2 . 16098 1 1326 . 1 1 110 110 ASN HD21 H 1 6.659 0.03 . 2 . . . . 110 N HD21 . 16098 1 1327 . 1 1 110 110 ASN HD22 H 1 6.735 0.03 . 2 . . . . 110 N HD22 . 16098 1 1328 . 1 1 110 110 ASN C C 13 174.113 0.3 . 1 . . . . 110 N C . 16098 1 1329 . 1 1 110 110 ASN CA C 13 50.566 0.3 . 1 . . . . 110 N CA . 16098 1 1330 . 1 1 110 110 ASN CB C 13 37.247 0.3 . 1 . . . . 110 N CB . 16098 1 1331 . 1 1 110 110 ASN N N 15 118.265 0.3 . 1 . . . . 110 N N . 16098 1 1332 . 1 1 110 110 ASN ND2 N 15 110.658 0.3 . 1 . . . . 110 N ND2 . 16098 1 1333 . 1 1 111 111 GLU H H 1 7.912 0.03 . 1 . . . . 111 E HN . 16098 1 1334 . 1 1 111 111 GLU HA H 1 4.029 0.03 . 1 . . . . 111 E HA . 16098 1 1335 . 1 1 111 111 GLU HB2 H 1 2.259 0.03 . 2 . . . . 111 E HB1 . 16098 1 1336 . 1 1 111 111 GLU HB3 H 1 2.259 0.03 . 2 . . . . 111 E HB2 . 16098 1 1337 . 1 1 111 111 GLU HG2 H 1 2.426 0.03 . 2 . . . . 111 E HG1 . 16098 1 1338 . 1 1 111 111 GLU HG3 H 1 2.515 0.03 . 2 . . . . 111 E HG2 . 16098 1 1339 . 1 1 111 111 GLU C C 13 179.868 0.3 . 1 . . . . 111 E C . 16098 1 1340 . 1 1 111 111 GLU CA C 13 60.129 0.3 . 1 . . . . 111 E CA . 16098 1 1341 . 1 1 111 111 GLU CB C 13 30.143 0.3 . 1 . . . . 111 E CB . 16098 1 1342 . 1 1 111 111 GLU CG C 13 36.518 0.3 . 1 . . . . 111 E CG . 16098 1 1343 . 1 1 111 111 GLU N N 15 123.287 0.3 . 1 . . . . 111 E N . 16098 1 1344 . 1 1 112 112 GLN H H 1 9.353 0.03 . 1 . . . . 112 Q HN . 16098 1 1345 . 1 1 112 112 GLN HA H 1 4.244 0.03 . 1 . . . . 112 Q HA . 16098 1 1346 . 1 1 112 112 GLN HB2 H 1 2.280 0.03 . 2 . . . . 112 Q HB1 . 16098 1 1347 . 1 1 112 112 GLN HB3 H 1 2.280 0.03 . 2 . . . . 112 Q HB2 . 16098 1 1348 . 1 1 112 112 GLN HE21 H 1 7.944 0.03 . 2 . . . . 112 Q HE21 . 16098 1 1349 . 1 1 112 112 GLN HE22 H 1 6.934 0.03 . 2 . . . . 112 Q HE22 . 16098 1 1350 . 1 1 112 112 GLN HG2 H 1 2.522 0.03 . 2 . . . . 112 Q HG1 . 16098 1 1351 . 1 1 112 112 GLN HG3 H 1 2.756 0.03 . 2 . . . . 112 Q HG2 . 16098 1 1352 . 1 1 112 112 GLN C C 13 178.845 0.3 . 1 . . . . 112 Q C . 16098 1 1353 . 1 1 112 112 GLN CA C 13 59.361 0.3 . 1 . . . . 112 Q CA . 16098 1 1354 . 1 1 112 112 GLN CB C 13 29.080 0.3 . 1 . . . . 112 Q CB . 16098 1 1355 . 1 1 112 112 GLN CG C 13 34.926 0.3 . 1 . . . . 112 Q CG . 16098 1 1356 . 1 1 112 112 GLN N N 15 118.940 0.3 . 1 . . . . 112 Q N . 16098 1 1357 . 1 1 112 112 GLN NE2 N 15 112.860 0.3 . 1 . . . . 112 Q NE2 . 16098 1 1358 . 1 1 113 113 ALA H H 1 7.512 0.03 . 1 . . . . 113 A HN . 16098 1 1359 . 1 1 113 113 ALA HA H 1 4.204 0.03 . 1 . . . . 113 A HA . 16098 1 1360 . 1 1 113 113 ALA HB1 H 1 1.528 0.03 . 1 . . . . 113 A HB1 . 16098 1 1361 . 1 1 113 113 ALA HB2 H 1 1.528 0.03 . 1 . . . . 113 A HB1 . 16098 1 1362 . 1 1 113 113 ALA HB3 H 1 1.528 0.03 . 1 . . . . 113 A HB1 . 16098 1 1363 . 1 1 113 113 ALA CA C 13 54.846 0.3 . 1 . . . . 113 A CA . 16098 1 1364 . 1 1 113 113 ALA CB C 13 20.155 0.3 . 1 . . . . 113 A CB . 16098 1 1365 . 1 1 113 113 ALA N N 15 122.918 0.3 . 1 . . . . 113 A N . 16098 1 1366 . 1 1 114 114 VAL H H 1 8.472 0.03 . 1 . . . . 114 V HN . 16098 1 1367 . 1 1 114 114 VAL HA H 1 3.556 0.03 . 1 . . . . 114 V HA . 16098 1 1368 . 1 1 114 114 VAL HB H 1 2.193 0.03 . 1 . . . . 114 V HB . 16098 1 1369 . 1 1 114 114 VAL HG11 H 1 1.187 0.03 . 2 . . . . 114 V HG11 . 16098 1 1370 . 1 1 114 114 VAL HG12 H 1 1.187 0.03 . 2 . . . . 114 V HG11 . 16098 1 1371 . 1 1 114 114 VAL HG13 H 1 1.187 0.03 . 2 . . . . 114 V HG11 . 16098 1 1372 . 1 1 114 114 VAL HG21 H 1 1.032 0.03 . 2 . . . . 114 V HG21 . 16098 1 1373 . 1 1 114 114 VAL HG22 H 1 1.032 0.03 . 2 . . . . 114 V HG21 . 16098 1 1374 . 1 1 114 114 VAL HG23 H 1 1.032 0.03 . 2 . . . . 114 V HG21 . 16098 1 1375 . 1 1 114 114 VAL C C 13 178.474 0.3 . 1 . . . . 114 V C . 16098 1 1376 . 1 1 114 114 VAL CA C 13 68.392 0.3 . 1 . . . . 114 V CA . 16098 1 1377 . 1 1 114 114 VAL CB C 13 32.268 0.3 . 1 . . . . 114 V CB . 16098 1 1378 . 1 1 114 114 VAL CG1 C 13 24.565 0.3 . 1 . . . . 114 V CG1 . 16098 1 1379 . 1 1 114 114 VAL CG2 C 13 21.643 0.3 . 1 . . . . 114 V CG2 . 16098 1 1380 . 1 1 114 114 VAL N N 15 118.686 0.3 . 1 . . . . 114 V N . 16098 1 1381 . 1 1 115 115 GLY H H 1 8.141 0.03 . 1 . . . . 115 G HN . 16098 1 1382 . 1 1 115 115 GLY HA2 H 1 3.957 0.03 . 2 . . . . 115 G HA1 . 16098 1 1383 . 1 1 115 115 GLY HA3 H 1 4.097 0.03 . 2 . . . . 115 G HA2 . 16098 1 1384 . 1 1 115 115 GLY C C 13 176.668 0.3 . 1 . . . . 115 G C . 16098 1 1385 . 1 1 115 115 GLY CA C 13 47.408 0.3 . 1 . . . . 115 G CA . 16098 1 1386 . 1 1 115 115 GLY N N 15 103.537 0.3 . 1 . . . . 115 G N . 16098 1 1387 . 1 1 116 116 PHE H H 1 7.852 0.03 . 1 . . . . 116 F HN . 16098 1 1388 . 1 1 116 116 PHE HA H 1 4.407 0.03 . 1 . . . . 116 F HA . 16098 1 1389 . 1 1 116 116 PHE HB2 H 1 3.010 0.03 . 2 . . . . 116 F HB1 . 16098 1 1390 . 1 1 116 116 PHE HB3 H 1 3.323 0.03 . 2 . . . . 116 F HB2 . 16098 1 1391 . 1 1 116 116 PHE HD1 H 1 6.720 0.03 . 3 . . . . 116 F HD1 . 16098 1 1392 . 1 1 116 116 PHE HE1 H 1 7.084 0.03 . 3 . . . . 116 F HE1 . 16098 1 1393 . 1 1 116 116 PHE HZ H 1 6.802 0.03 . 1 . . . . 116 F HZ . 16098 1 1394 . 1 1 116 116 PHE C C 13 176.668 0.3 . 1 . . . . 116 F C . 16098 1 1395 . 1 1 116 116 PHE CA C 13 61.220 0.3 . 1 . . . . 116 F CA . 16098 1 1396 . 1 1 116 116 PHE CB C 13 39.150 0.3 . 1 . . . . 116 F CB . 16098 1 1397 . 1 1 116 116 PHE CD1 C 13 132.643 0.3 . 3 . . . . 116 F CD1 . 16098 1 1398 . 1 1 116 116 PHE CE1 C 13 131.209 0.3 . 3 . . . . 116 F CE1 . 16098 1 1399 . 1 1 116 116 PHE CZ C 13 128.137 0.3 . 1 . . . . 116 F CZ . 16098 1 1400 . 1 1 116 116 PHE N N 15 123.407 0.3 . 1 . . . . 116 F N . 16098 1 1401 . 1 1 117 117 TYR H H 1 8.714 0.03 . 1 . . . . 117 Y HN . 16098 1 1402 . 1 1 117 117 TYR HA H 1 4.096 0.03 . 1 . . . . 117 Y HA . 16098 1 1403 . 1 1 117 117 TYR HB2 H 1 2.660 0.03 . 2 . . . . 117 Y HB1 . 16098 1 1404 . 1 1 117 117 TYR HB3 H 1 2.660 0.03 . 2 . . . . 117 Y HB2 . 16098 1 1405 . 1 1 117 117 TYR HD1 H 1 6.609 0.03 . 3 . . . . 117 Y HD1 . 16098 1 1406 . 1 1 117 117 TYR HE1 H 1 6.559 0.03 . 3 . . . . 117 Y HE1 . 16098 1 1407 . 1 1 117 117 TYR C C 13 179.454 0.3 . 1 . . . . 117 Y C . 16098 1 1408 . 1 1 117 117 TYR CA C 13 61.752 0.3 . 1 . . . . 117 Y CA . 16098 1 1409 . 1 1 117 117 TYR CB C 13 37.149 0.3 . 1 . . . . 117 Y CB . 16098 1 1410 . 1 1 117 117 TYR CD1 C 13 132.363 0.3 . 3 . . . . 117 Y CD1 . 16098 1 1411 . 1 1 117 117 TYR CE1 C 13 117.900 0.3 . 3 . . . . 117 Y CE1 . 16098 1 1412 . 1 1 117 117 TYR N N 15 117.405 0.3 . 1 . . . . 117 Y N . 16098 1 1413 . 1 1 118 118 LYS H H 1 8.480 0.03 . 1 . . . . 118 K HN . 16098 1 1414 . 1 1 118 118 LYS HA H 1 4.690 0.03 . 1 . . . . 118 K HA . 16098 1 1415 . 1 1 118 118 LYS HB2 H 1 2.093 0.03 . 2 . . . . 118 K HB1 . 16098 1 1416 . 1 1 118 118 LYS HB3 H 1 2.093 0.03 . 2 . . . . 118 K HB2 . 16098 1 1417 . 1 1 118 118 LYS HD2 H 1 1.845 0.03 . 2 . . . . 118 K HD1 . 16098 1 1418 . 1 1 118 118 LYS HE2 H 1 2.951 0.03 . 2 . . . . 118 K HE1 . 16098 1 1419 . 1 1 118 118 LYS HE3 H 1 3.118 0.03 . 2 . . . . 118 K HE2 . 16098 1 1420 . 1 1 118 118 LYS HG2 H 1 1.562 0.03 . 2 . . . . 118 K HG1 . 16098 1 1421 . 1 1 118 118 LYS HG3 H 1 1.858 0.03 . 2 . . . . 118 K HG2 . 16098 1 1422 . 1 1 118 118 LYS C C 13 180.333 0.3 . 1 . . . . 118 K C . 16098 1 1423 . 1 1 118 118 LYS CA C 13 60.158 0.3 . 1 . . . . 118 K CA . 16098 1 1424 . 1 1 118 118 LYS CB C 13 32.599 0.3 . 1 . . . . 118 K CB . 16098 1 1425 . 1 1 118 118 LYS CD C 13 30.072 0.3 . 1 . . . . 118 K CD . 16098 1 1426 . 1 1 118 118 LYS CE C 13 42.096 0.3 . 1 . . . . 118 K CE . 16098 1 1427 . 1 1 118 118 LYS CG C 13 25.893 0.3 . 1 . . . . 118 K CG . 16098 1 1428 . 1 1 118 118 LYS N N 15 119.309 0.3 . 1 . . . . 118 K N . 16098 1 1429 . 1 1 119 119 LYS H H 1 7.973 0.03 . 1 . . . . 119 K HN . 16098 1 1430 . 1 1 119 119 LYS HA H 1 4.238 0.03 . 1 . . . . 119 K HA . 16098 1 1431 . 1 1 119 119 LYS HB2 H 1 2.130 0.03 . 2 . . . . 119 K HB1 . 16098 1 1432 . 1 1 119 119 LYS HB3 H 1 2.130 0.03 . 2 . . . . 119 K HB2 . 16098 1 1433 . 1 1 119 119 LYS HD2 H 1 1.850 0.03 . 2 . . . . 119 K HD1 . 16098 1 1434 . 1 1 119 119 LYS HE2 H 1 3.121 0.03 . 2 . . . . 119 K HE1 . 16098 1 1435 . 1 1 119 119 LYS HG2 H 1 1.590 0.03 . 2 . . . . 119 K HG1 . 16098 1 1436 . 1 1 119 119 LYS HG3 H 1 1.668 0.03 . 2 . . . . 119 K HG2 . 16098 1 1437 . 1 1 119 119 LYS C C 13 178.914 0.3 . 1 . . . . 119 K C . 16098 1 1438 . 1 1 119 119 LYS CA C 13 59.295 0.3 . 1 . . . . 119 K CA . 16098 1 1439 . 1 1 119 119 LYS CB C 13 32.465 0.3 . 1 . . . . 119 K CB . 16098 1 1440 . 1 1 119 119 LYS CD C 13 29.611 0.3 . 1 . . . . 119 K CD . 16098 1 1441 . 1 1 119 119 LYS CE C 13 42.361 0.3 . 1 . . . . 119 K CE . 16098 1 1442 . 1 1 119 119 LYS CG C 13 25.362 0.3 . 1 . . . . 119 K CG . 16098 1 1443 . 1 1 119 119 LYS N N 15 121.028 0.3 . 1 . . . . 119 K N . 16098 1 1444 . 1 1 120 120 VAL H H 1 7.835 0.03 . 1 . . . . 120 V HN . 16098 1 1445 . 1 1 120 120 VAL HA H 1 4.356 0.03 . 1 . . . . 120 V HA . 16098 1 1446 . 1 1 120 120 VAL HB H 1 2.431 0.03 . 1 . . . . 120 V HB . 16098 1 1447 . 1 1 120 120 VAL HG11 H 1 0.926 0.03 . 2 . . . . 120 V HG11 . 16098 1 1448 . 1 1 120 120 VAL HG12 H 1 0.926 0.03 . 2 . . . . 120 V HG11 . 16098 1 1449 . 1 1 120 120 VAL HG13 H 1 0.926 0.03 . 2 . . . . 120 V HG11 . 16098 1 1450 . 1 1 120 120 VAL HG21 H 1 0.901 0.03 . 2 . . . . 120 V HG21 . 16098 1 1451 . 1 1 120 120 VAL HG22 H 1 0.901 0.03 . 2 . . . . 120 V HG21 . 16098 1 1452 . 1 1 120 120 VAL HG23 H 1 0.901 0.03 . 2 . . . . 120 V HG21 . 16098 1 1453 . 1 1 120 120 VAL C C 13 175.569 0.3 . 1 . . . . 120 V C . 16098 1 1454 . 1 1 120 120 VAL CA C 13 62.590 0.3 . 1 . . . . 120 V CA . 16098 1 1455 . 1 1 120 120 VAL CB C 13 31.736 0.3 . 1 . . . . 120 V CB . 16098 1 1456 . 1 1 120 120 VAL CG1 C 13 20.896 0.3 . 1 . . . . 120 V CG1 . 16098 1 1457 . 1 1 120 120 VAL CG2 C 13 21.874 0.3 . 1 . . . . 120 V CG2 . 16098 1 1458 . 1 1 120 120 VAL N N 15 112.751 0.3 . 1 . . . . 120 V N . 16098 1 1459 . 1 1 121 121 GLY H H 1 7.444 0.03 . 1 . . . . 121 G HN . 16098 1 1460 . 1 1 121 121 GLY HA2 H 1 3.719 0.03 . 2 . . . . 121 G HA1 . 16098 1 1461 . 1 1 121 121 GLY HA3 H 1 4.463 0.03 . 2 . . . . 121 G HA2 . 16098 1 1462 . 1 1 121 121 GLY C C 13 174.396 0.3 . 1 . . . . 121 G C . 16098 1 1463 . 1 1 121 121 GLY CA C 13 46.080 0.3 . 1 . . . . 121 G CA . 16098 1 1464 . 1 1 121 121 GLY N N 15 103.909 0.3 . 1 . . . . 121 G N . 16098 1 1465 . 1 1 122 122 PHE H H 1 8.604 0.03 . 1 . . . . 122 F HN . 16098 1 1466 . 1 1 122 122 PHE HA H 1 5.075 0.03 . 1 . . . . 122 F HA . 16098 1 1467 . 1 1 122 122 PHE HB2 H 1 2.827 0.03 . 2 . . . . 122 F HB1 . 16098 1 1468 . 1 1 122 122 PHE HB3 H 1 2.964 0.03 . 2 . . . . 122 F HB2 . 16098 1 1469 . 1 1 122 122 PHE HD1 H 1 7.436 0.03 . 3 . . . . 122 F HD1 . 16098 1 1470 . 1 1 122 122 PHE HE1 H 1 7.156 0.03 . 3 . . . . 122 F HE1 . 16098 1 1471 . 1 1 122 122 PHE C C 13 175.375 0.3 . 1 . . . . 122 F C . 16098 1 1472 . 1 1 122 122 PHE CA C 13 58.421 0.3 . 1 . . . . 122 F CA . 16098 1 1473 . 1 1 122 122 PHE CB C 13 40.768 0.3 . 1 . . . . 122 F CB . 16098 1 1474 . 1 1 122 122 PHE CD1 C 13 132.783 0.3 . 3 . . . . 122 F CD1 . 16098 1 1475 . 1 1 122 122 PHE CE1 C 13 130.836 0.3 . 3 . . . . 122 F CE1 . 16098 1 1476 . 1 1 122 122 PHE N N 15 119.216 0.3 . 1 . . . . 122 F N . 16098 1 1477 . 1 1 123 123 LYS H H 1 9.287 0.03 . 1 . . . . 123 K HN . 16098 1 1478 . 1 1 123 123 LYS HA H 1 4.943 0.03 . 1 . . . . 123 K HA . 16098 1 1479 . 1 1 123 123 LYS HB2 H 1 1.919 0.03 . 2 . . . . 123 K HB1 . 16098 1 1480 . 1 1 123 123 LYS HB3 H 1 1.919 0.03 . 2 . . . . 123 K HB2 . 16098 1 1481 . 1 1 123 123 LYS HD2 H 1 1.758 0.03 . 2 . . . . 123 K HD1 . 16098 1 1482 . 1 1 123 123 LYS HE2 H 1 3.022 0.03 . 2 . . . . 123 K HE1 . 16098 1 1483 . 1 1 123 123 LYS HG2 H 1 1.530 0.03 . 2 . . . . 123 K HG1 . 16098 1 1484 . 1 1 123 123 LYS HG3 H 1 1.450 0.03 . 2 . . . . 123 K HG2 . 16098 1 1485 . 1 1 123 123 LYS C C 13 175.422 0.3 . 1 . . . . 123 K C . 16098 1 1486 . 1 1 123 123 LYS CA C 13 53.981 0.3 . 1 . . . . 123 K CA . 16098 1 1487 . 1 1 123 123 LYS CB C 13 36.252 0.3 . 1 . . . . 123 K CB . 16098 1 1488 . 1 1 123 123 LYS CD C 13 29.611 0.3 . 1 . . . . 123 K CD . 16098 1 1489 . 1 1 123 123 LYS CE C 13 42.361 0.3 . 1 . . . . 123 K CE . 16098 1 1490 . 1 1 123 123 LYS CG C 13 25.096 0.3 . 1 . . . . 123 K CG . 16098 1 1491 . 1 1 123 123 LYS N N 15 120.156 0.3 . 1 . . . . 123 K N . 16098 1 1492 . 1 1 124 124 VAL H H 1 8.858 0.03 . 1 . . . . 124 V HN . 16098 1 1493 . 1 1 124 124 VAL HA H 1 4.595 0.03 . 1 . . . . 124 V HA . 16098 1 1494 . 1 1 124 124 VAL HB H 1 2.211 0.03 . 1 . . . . 124 V HB . 16098 1 1495 . 1 1 124 124 VAL HG11 H 1 1.267 0.03 . 2 . . . . 124 V HG11 . 16098 1 1496 . 1 1 124 124 VAL HG12 H 1 1.267 0.03 . 2 . . . . 124 V HG11 . 16098 1 1497 . 1 1 124 124 VAL HG13 H 1 1.267 0.03 . 2 . . . . 124 V HG11 . 16098 1 1498 . 1 1 124 124 VAL HG21 H 1 1.168 0.03 . 2 . . . . 124 V HG21 . 16098 1 1499 . 1 1 124 124 VAL HG22 H 1 1.168 0.03 . 2 . . . . 124 V HG21 . 16098 1 1500 . 1 1 124 124 VAL HG23 H 1 1.168 0.03 . 2 . . . . 124 V HG21 . 16098 1 1501 . 1 1 124 124 VAL C C 13 177.988 0.3 . 1 . . . . 124 V C . 16098 1 1502 . 1 1 124 124 VAL CA C 13 63.194 0.3 . 1 . . . . 124 V CA . 16098 1 1503 . 1 1 124 124 VAL CB C 13 32.533 0.3 . 1 . . . . 124 V CB . 16098 1 1504 . 1 1 124 124 VAL CG1 C 13 22.539 0.3 . 1 . . . . 124 V CG1 . 16098 1 1505 . 1 1 124 124 VAL CG2 C 13 22.174 0.3 . 1 . . . . 124 V CG2 . 16098 1 1506 . 1 1 124 124 VAL N N 15 123.022 0.3 . 1 . . . . 124 V N . 16098 1 1507 . 1 1 125 125 THR H H 1 9.782 0.03 . 1 . . . . 125 T HN . 16098 1 1508 . 1 1 125 125 THR HA H 1 4.688 0.03 . 1 . . . . 125 T HA . 16098 1 1509 . 1 1 125 125 THR HB H 1 4.526 0.03 . 1 . . . . 125 T HB . 16098 1 1510 . 1 1 125 125 THR HG21 H 1 1.273 0.03 . 1 . . . . 125 T HG21 . 16098 1 1511 . 1 1 125 125 THR HG22 H 1 1.273 0.03 . 1 . . . . 125 T HG21 . 16098 1 1512 . 1 1 125 125 THR HG23 H 1 1.273 0.03 . 1 . . . . 125 T HG21 . 16098 1 1513 . 1 1 125 125 THR C C 13 174.974 0.3 . 1 . . . . 125 T C . 16098 1 1514 . 1 1 125 125 THR CA C 13 61.752 0.3 . 1 . . . . 125 T CA . 16098 1 1515 . 1 1 125 125 THR CB C 13 69.720 0.3 . 1 . . . . 125 T CB . 16098 1 1516 . 1 1 125 125 THR CG2 C 13 22.500 0.3 . 1 . . . . 125 T CG2 . 16098 1 1517 . 1 1 125 125 THR N N 15 119.765 0.3 . 1 . . . . 125 T N . 16098 1 1518 . 1 1 126 126 GLY H H 1 7.923 0.03 . 1 . . . . 126 G HN . 16098 1 1519 . 1 1 126 126 GLY HA2 H 1 4.276 0.03 . 2 . . . . 126 G HA1 . 16098 1 1520 . 1 1 126 126 GLY HA3 H 1 4.378 0.03 . 2 . . . . 126 G HA2 . 16098 1 1521 . 1 1 126 126 GLY C C 13 170.510 0.3 . 1 . . . . 126 G C . 16098 1 1522 . 1 1 126 126 GLY CA C 13 45.814 0.3 . 1 . . . . 126 G CA . 16098 1 1523 . 1 1 126 126 GLY N N 15 110.826 0.3 . 1 . . . . 126 G N . 16098 1 1524 . 1 1 127 127 ARG H H 1 8.395 0.03 . 1 . . . . 127 R HN . 16098 1 1525 . 1 1 127 127 ARG HA H 1 5.425 0.03 . 1 . . . . 127 R HA . 16098 1 1526 . 1 1 127 127 ARG HB2 H 1 1.714 0.03 . 2 . . . . 127 R HB1 . 16098 1 1527 . 1 1 127 127 ARG HB3 H 1 1.829 0.03 . 2 . . . . 127 R HB2 . 16098 1 1528 . 1 1 127 127 ARG HD2 H 1 3.047 0.03 . 2 . . . . 127 R HD1 . 16098 1 1529 . 1 1 127 127 ARG HD3 H 1 3.222 0.03 . 2 . . . . 127 R HD2 . 16098 1 1530 . 1 1 127 127 ARG HE H 1 8.639 0.03 . 1 . . . . 127 R HE . 16098 1 1531 . 1 1 127 127 ARG HG2 H 1 1.467 0.03 . 2 . . . . 127 R HG1 . 16098 1 1532 . 1 1 127 127 ARG HG3 H 1 1.514 0.03 . 2 . . . . 127 R HG2 . 16098 1 1533 . 1 1 127 127 ARG C C 13 174.909 0.3 . 1 . . . . 127 R C . 16098 1 1534 . 1 1 127 127 ARG CA C 13 55.176 0.3 . 1 . . . . 127 R CA . 16098 1 1535 . 1 1 127 127 ARG CB C 13 34.127 0.3 . 1 . . . . 127 R CB . 16098 1 1536 . 1 1 127 127 ARG CD C 13 43.424 0.3 . 1 . . . . 127 R CD . 16098 1 1537 . 1 1 127 127 ARG CG C 13 27.852 0.3 . 1 . . . . 127 R CG . 16098 1 1538 . 1 1 127 127 ARG N N 15 118.840 0.3 . 1 . . . . 127 R N . 16098 1 1539 . 1 1 127 127 ARG NE N 15 115.906 0.3 . 1 . . . . 127 R NE . 16098 1 1540 . 1 1 128 128 SER H H 1 9.376 0.03 . 1 . . . . 128 S HN . 16098 1 1541 . 1 1 128 128 SER HA H 1 5.011 0.03 . 1 . . . . 128 S HA . 16098 1 1542 . 1 1 128 128 SER HB2 H 1 3.995 0.03 . 2 . . . . 128 S HB1 . 16098 1 1543 . 1 1 128 128 SER HB3 H 1 4.092 0.03 . 2 . . . . 128 S HB2 . 16098 1 1544 . 1 1 128 128 SER C C 13 174.400 0.3 . 1 . . . . 128 S C . 16098 1 1545 . 1 1 128 128 SER CA C 13 56.030 0.3 . 1 . . . . 128 S CA . 16098 1 1546 . 1 1 128 128 SER CB C 13 65.736 0.3 . 1 . . . . 128 S CB . 16098 1 1547 . 1 1 128 128 SER N N 15 119.336 0.3 . 1 . . . . 128 S N . 16098 1 1548 . 1 1 129 129 GLU H H 1 9.165 0.03 . 1 . . . . 129 E HN . 16098 1 1549 . 1 1 129 129 GLU HA H 1 4.237 0.03 . 1 . . . . 129 E HA . 16098 1 1550 . 1 1 129 129 GLU HB2 H 1 2.046 0.03 . 2 . . . . 129 E HB1 . 16098 1 1551 . 1 1 129 129 GLU HB3 H 1 2.299 0.03 . 2 . . . . 129 E HB2 . 16098 1 1552 . 1 1 129 129 GLU HG2 H 1 2.438 0.03 . 2 . . . . 129 E HG1 . 16098 1 1553 . 1 1 129 129 GLU HG3 H 1 2.542 0.03 . 2 . . . . 129 E HG2 . 16098 1 1554 . 1 1 129 129 GLU C C 13 175.345 0.3 . 1 . . . . 129 E C . 16098 1 1555 . 1 1 129 129 GLU CA C 13 58.299 0.3 . 1 . . . . 129 E CA . 16098 1 1556 . 1 1 129 129 GLU CB C 13 30.063 0.3 . 1 . . . . 129 E CB . 16098 1 1557 . 1 1 129 129 GLU CG C 13 36.518 0.3 . 1 . . . . 129 E CG . 16098 1 1558 . 1 1 129 129 GLU N N 15 123.192 0.3 . 1 . . . . 129 E N . 16098 1 1559 . 1 1 130 130 VAL H H 1 7.309 0.03 . 1 . . . . 130 V HN . 16098 1 1560 . 1 1 130 130 VAL HA H 1 5.041 0.03 . 1 . . . . 130 V HA . 16098 1 1561 . 1 1 130 130 VAL HB H 1 1.958 0.03 . 1 . . . . 130 V HB . 16098 1 1562 . 1 1 130 130 VAL HG11 H 1 0.992 0.03 . 2 . . . . 130 V HG11 . 16098 1 1563 . 1 1 130 130 VAL HG12 H 1 0.992 0.03 . 2 . . . . 130 V HG11 . 16098 1 1564 . 1 1 130 130 VAL HG13 H 1 0.992 0.03 . 2 . . . . 130 V HG11 . 16098 1 1565 . 1 1 130 130 VAL HG21 H 1 0.795 0.03 . 2 . . . . 130 V HG21 . 16098 1 1566 . 1 1 130 130 VAL HG22 H 1 0.795 0.03 . 2 . . . . 130 V HG21 . 16098 1 1567 . 1 1 130 130 VAL HG23 H 1 0.795 0.03 . 2 . . . . 130 V HG21 . 16098 1 1568 . 1 1 130 130 VAL C C 13 175.619 0.3 . 1 . . . . 130 V C . 16098 1 1569 . 1 1 130 130 VAL CA C 13 57.738 0.3 . 1 . . . . 130 V CA . 16098 1 1570 . 1 1 130 130 VAL CB C 13 35.455 0.3 . 1 . . . . 130 V CB . 16098 1 1571 . 1 1 130 130 VAL CG1 C 13 17.659 0.3 . 1 . . . . 130 V CG1 . 16098 1 1572 . 1 1 130 130 VAL CG2 C 13 21.643 0.3 . 1 . . . . 130 V CG2 . 16098 1 1573 . 1 1 130 130 VAL N N 15 105.927 0.3 . 1 . . . . 130 V N . 16098 1 1574 . 1 1 131 131 ASP H H 1 8.832 0.03 . 1 . . . . 131 D HN . 16098 1 1575 . 1 1 131 131 ASP HA H 1 4.852 0.03 . 1 . . . . 131 D HA . 16098 1 1576 . 1 1 131 131 ASP HB2 H 1 3.741 0.03 . 2 . . . . 131 D HB1 . 16098 1 1577 . 1 1 131 131 ASP HB3 H 1 3.842 0.03 . 2 . . . . 131 D HB2 . 16098 1 1578 . 1 1 131 131 ASP C C 13 178.772 0.3 . 1 . . . . 131 D C . 16098 1 1579 . 1 1 131 131 ASP CA C 13 52.721 0.3 . 1 . . . . 131 D CA . 16098 1 1580 . 1 1 131 131 ASP CB C 13 40.236 0.3 . 1 . . . . 131 D CB . 16098 1 1581 . 1 1 131 131 ASP N N 15 122.241 0.3 . 1 . . . . 131 D N . 16098 1 1582 . 1 1 132 132 ASP H H 1 8.606 0.03 . 1 . . . . 132 D HN . 16098 1 1583 . 1 1 132 132 ASP HA H 1 4.570 0.03 . 1 . . . . 132 D HA . 16098 1 1584 . 1 1 132 132 ASP HB2 H 1 2.822 0.03 . 2 . . . . 132 D HB1 . 16098 1 1585 . 1 1 132 132 ASP HB3 H 1 2.915 0.03 . 2 . . . . 132 D HB2 . 16098 1 1586 . 1 1 132 132 ASP C C 13 177.330 0.3 . 1 . . . . 132 D C . 16098 1 1587 . 1 1 132 132 ASP CA C 13 57.502 0.3 . 1 . . . . 132 D CA . 16098 1 1588 . 1 1 132 132 ASP CB C 13 40.768 0.3 . 1 . . . . 132 D CB . 16098 1 1589 . 1 1 132 132 ASP N N 15 115.704 0.3 . 1 . . . . 132 D N . 16098 1 1590 . 1 1 133 133 LEU H H 1 8.345 0.03 . 1 . . . . 133 L HN . 16098 1 1591 . 1 1 133 133 LEU HA H 1 4.782 0.03 . 1 . . . . 133 L HA . 16098 1 1592 . 1 1 133 133 LEU HB2 H 1 1.962 0.03 . 2 . . . . 133 L HB1 . 16098 1 1593 . 1 1 133 133 LEU HB3 H 1 2.348 0.03 . 2 . . . . 133 L HB2 . 16098 1 1594 . 1 1 133 133 LEU HD11 H 1 1.245 0.03 . 2 . . . . 133 L HD11 . 16098 1 1595 . 1 1 133 133 LEU HD12 H 1 1.245 0.03 . 2 . . . . 133 L HD11 . 16098 1 1596 . 1 1 133 133 LEU HD13 H 1 1.245 0.03 . 2 . . . . 133 L HD11 . 16098 1 1597 . 1 1 133 133 LEU HD21 H 1 1.064 0.03 . 2 . . . . 133 L HD21 . 16098 1 1598 . 1 1 133 133 LEU HD22 H 1 1.064 0.03 . 2 . . . . 133 L HD21 . 16098 1 1599 . 1 1 133 133 LEU HD23 H 1 1.064 0.03 . 2 . . . . 133 L HD21 . 16098 1 1600 . 1 1 133 133 LEU HG H 1 1.806 0.03 . 1 . . . . 133 L HG . 16098 1 1601 . 1 1 133 133 LEU C C 13 177.608 0.3 . 1 . . . . 133 L C . 16098 1 1602 . 1 1 133 133 LEU CA C 13 54.380 0.3 . 1 . . . . 133 L CA . 16098 1 1603 . 1 1 133 133 LEU CB C 13 41.664 0.3 . 1 . . . . 133 L CB . 16098 1 1604 . 1 1 133 133 LEU CD1 C 13 25.707 0.3 . 1 . . . . 133 L CD1 . 16098 1 1605 . 1 1 133 133 LEU CD2 C 13 23.502 0.3 . 1 . . . . 133 L CD2 . 16098 1 1606 . 1 1 133 133 LEU CG C 13 28.018 0.3 . 1 . . . . 133 L CG . 16098 1 1607 . 1 1 133 133 LEU N N 15 119.805 0.3 . 1 . . . . 133 L N . 16098 1 1608 . 1 1 134 134 GLY H H 1 8.360 0.03 . 1 . . . . 134 G HN . 16098 1 1609 . 1 1 134 134 GLY HA2 H 1 3.659 0.03 . 2 . . . . 134 G HA1 . 16098 1 1610 . 1 1 134 134 GLY HA3 H 1 4.308 0.03 . 2 . . . . 134 G HA2 . 16098 1 1611 . 1 1 134 134 GLY C C 13 174.616 0.3 . 1 . . . . 134 G C . 16098 1 1612 . 1 1 134 134 GLY CA C 13 45.785 0.3 . 1 . . . . 134 G CA . 16098 1 1613 . 1 1 134 134 GLY N N 15 108.987 0.3 . 1 . . . . 134 G N . 16098 1 1614 . 1 1 135 135 LYS H H 1 8.898 0.03 . 1 . . . . 135 K HN . 16098 1 1615 . 1 1 135 135 LYS HA H 1 4.565 0.03 . 1 . . . . 135 K HA . 16098 1 1616 . 1 1 135 135 LYS HB2 H 1 1.712 0.03 . 2 . . . . 135 K HB1 . 16098 1 1617 . 1 1 135 135 LYS HB3 H 1 2.514 0.03 . 2 . . . . 135 K HB2 . 16098 1 1618 . 1 1 135 135 LYS HD2 H 1 1.285 0.03 . 2 . . . . 135 K HD1 . 16098 1 1619 . 1 1 135 135 LYS HD3 H 1 1.501 0.03 . 2 . . . . 135 K HD2 . 16098 1 1620 . 1 1 135 135 LYS HE2 H 1 2.890 0.03 . 2 . . . . 135 K HE1 . 16098 1 1621 . 1 1 135 135 LYS HE3 H 1 2.890 0.03 . 2 . . . . 135 K HE2 . 16098 1 1622 . 1 1 135 135 LYS HG2 H 1 1.043 0.03 . 2 . . . . 135 K HG1 . 16098 1 1623 . 1 1 135 135 LYS HG3 H 1 1.076 0.03 . 2 . . . . 135 K HG2 . 16098 1 1624 . 1 1 135 135 LYS C C 13 176.818 0.3 . 1 . . . . 135 K C . 16098 1 1625 . 1 1 135 135 LYS CA C 13 53.783 0.3 . 1 . . . . 135 K CA . 16098 1 1626 . 1 1 135 135 LYS CB C 13 30.674 0.3 . 1 . . . . 135 K CB . 16098 1 1627 . 1 1 135 135 LYS CD C 13 28.018 0.3 . 1 . . . . 135 K CD . 16098 1 1628 . 1 1 135 135 LYS CE C 13 42.753 0.3 . 1 . . . . 135 K CE . 16098 1 1629 . 1 1 135 135 LYS CG C 13 24.987 0.3 . 1 . . . . 135 K CG . 16098 1 1630 . 1 1 135 135 LYS N N 15 123.721 0.3 . 1 . . . . 135 K N . 16098 1 1631 . 1 1 136 136 PRO HA H 1 4.833 0.03 . 1 . . . . 136 P HA . 16098 1 1632 . 1 1 136 136 PRO HB2 H 1 2.103 0.03 . 2 . . . . 136 P HB1 . 16098 1 1633 . 1 1 136 136 PRO HB3 H 1 2.400 0.03 . 2 . . . . 136 P HB2 . 16098 1 1634 . 1 1 136 136 PRO HD2 H 1 3.390 0.03 . 2 . . . . 136 P HD1 . 16098 1 1635 . 1 1 136 136 PRO HD3 H 1 3.718 0.03 . 2 . . . . 136 P HD2 . 16098 1 1636 . 1 1 136 136 PRO HG2 H 1 1.555 0.03 . 2 . . . . 136 P HG1 . 16098 1 1637 . 1 1 136 136 PRO HG3 H 1 1.815 0.03 . 2 . . . . 136 P HG2 . 16098 1 1638 . 1 1 136 136 PRO C C 13 173.506 0.3 . 1 . . . . 136 P C . 16098 1 1639 . 1 1 136 136 PRO CA C 13 63.877 0.3 . 1 . . . . 136 P CA . 16098 1 1640 . 1 1 136 136 PRO CB C 13 27.841 0.3 . 1 . . . . 136 P CB . 16098 1 1641 . 1 1 136 136 PRO CD C 13 50.064 0.3 . 1 . . . . 136 P CD . 16098 1 1642 . 1 1 136 136 PRO CG C 13 27.752 0.3 . 1 . . . . 136 P CG . 16098 1 1643 . 1 1 137 137 TYR H H 1 8.640 0.03 . 1 . . . . 137 Y HN . 16098 1 1644 . 1 1 137 137 TYR HA H 1 5.211 0.03 . 1 . . . . 137 Y HA . 16098 1 1645 . 1 1 137 137 TYR HB2 H 1 3.131 0.03 . 2 . . . . 137 Y HB1 . 16098 1 1646 . 1 1 137 137 TYR HB3 H 1 3.131 0.03 . 2 . . . . 137 Y HB2 . 16098 1 1647 . 1 1 137 137 TYR HD1 H 1 7.540 0.03 . 3 . . . . 137 Y HD1 . 16098 1 1648 . 1 1 137 137 TYR HE1 H 1 7.214 0.03 . 3 . . . . 137 Y HE1 . 16098 1 1649 . 1 1 137 137 TYR C C 13 172.281 0.3 . 1 . . . . 137 Y C . 16098 1 1650 . 1 1 137 137 TYR CA C 13 54.830 0.3 . 1 . . . . 137 Y CA . 16098 1 1651 . 1 1 137 137 TYR CB C 13 40.174 0.3 . 1 . . . . 137 Y CB . 16098 1 1652 . 1 1 137 137 TYR CD1 C 13 134.355 0.3 . 3 . . . . 137 Y CD1 . 16098 1 1653 . 1 1 137 137 TYR CE1 C 13 119.236 0.3 . 3 . . . . 137 Y CE1 . 16098 1 1654 . 1 1 137 137 TYR N N 15 125.687 0.3 . 1 . . . . 137 Y N . 16098 1 1655 . 1 1 138 138 PRO HA H 1 4.234 0.03 . 1 . . . . 138 P HA . 16098 1 1656 . 1 1 138 138 PRO HB2 H 1 1.900 0.03 . 2 . . . . 138 P HB1 . 16098 1 1657 . 1 1 138 138 PRO HB3 H 1 2.410 0.03 . 2 . . . . 138 P HB2 . 16098 1 1658 . 1 1 138 138 PRO HD2 H 1 3.738 0.03 . 2 . . . . 138 P HD1 . 16098 1 1659 . 1 1 138 138 PRO HD3 H 1 3.799 0.03 . 2 . . . . 138 P HD2 . 16098 1 1660 . 1 1 138 138 PRO HG2 H 1 2.091 0.03 . 2 . . . . 138 P HG1 . 16098 1 1661 . 1 1 138 138 PRO C C 13 177.707 0.3 . 1 . . . . 138 P C . 16098 1 1662 . 1 1 138 138 PRO CA C 13 63.877 0.3 . 1 . . . . 138 P CA . 16098 1 1663 . 1 1 138 138 PRO CB C 13 33.330 0.3 . 1 . . . . 138 P CB . 16098 1 1664 . 1 1 138 138 PRO CD C 13 50.861 0.3 . 1 . . . . 138 P CD . 16098 1 1665 . 1 1 138 138 PRO CG C 13 28.018 0.3 . 1 . . . . 138 P CG . 16098 1 1666 . 1 1 139 139 LEU H H 1 8.733 0.03 . 1 . . . . 139 L HN . 16098 1 1667 . 1 1 139 139 LEU HA H 1 5.218 0.03 . 1 . . . . 139 L HA . 16098 1 1668 . 1 1 139 139 LEU HB2 H 1 1.388 0.03 . 2 . . . . 139 L HB1 . 16098 1 1669 . 1 1 139 139 LEU HB3 H 1 1.828 0.03 . 2 . . . . 139 L HB2 . 16098 1 1670 . 1 1 139 139 LEU HD11 H 1 1.016 0.03 . 2 . . . . 139 L HD11 . 16098 1 1671 . 1 1 139 139 LEU HD12 H 1 1.016 0.03 . 2 . . . . 139 L HD11 . 16098 1 1672 . 1 1 139 139 LEU HD13 H 1 1.016 0.03 . 2 . . . . 139 L HD11 . 16098 1 1673 . 1 1 139 139 LEU HD21 H 1 1.016 0.03 . 2 . . . . 139 L HD21 . 16098 1 1674 . 1 1 139 139 LEU HD22 H 1 1.016 0.03 . 2 . . . . 139 L HD21 . 16098 1 1675 . 1 1 139 139 LEU HD23 H 1 1.016 0.03 . 2 . . . . 139 L HD21 . 16098 1 1676 . 1 1 139 139 LEU HG H 1 1.101 0.03 . 1 . . . . 139 L HG . 16098 1 1677 . 1 1 139 139 LEU C C 13 176.205 0.3 . 1 . . . . 139 L C . 16098 1 1678 . 1 1 139 139 LEU CA C 13 53.268 0.3 . 1 . . . . 139 L CA . 16098 1 1679 . 1 1 139 139 LEU CB C 13 46.297 0.3 . 1 . . . . 139 L CB . 16098 1 1680 . 1 1 139 139 LEU CD1 C 13 24.033 0.3 . 1 . . . . 139 L CD1 . 16098 1 1681 . 1 1 139 139 LEU CD2 C 13 24.033 0.3 . 1 . . . . 139 L CD2 . 16098 1 1682 . 1 1 139 139 LEU CG C 13 26.351 0.3 . 1 . . . . 139 L CG . 16098 1 1683 . 1 1 139 139 LEU N N 15 122.620 0.3 . 1 . . . . 139 L N . 16098 1 1684 . 1 1 140 140 LEU H H 1 9.395 0.03 . 1 . . . . 140 L HN . 16098 1 1685 . 1 1 140 140 LEU HA H 1 5.108 0.03 . 1 . . . . 140 L HA . 16098 1 1686 . 1 1 140 140 LEU HB2 H 1 1.487 0.03 . 2 . . . . 140 L HB1 . 16098 1 1687 . 1 1 140 140 LEU HB3 H 1 1.909 0.03 . 2 . . . . 140 L HB2 . 16098 1 1688 . 1 1 140 140 LEU HD11 H 1 1.102 0.03 . 2 . . . . 140 L HD11 . 16098 1 1689 . 1 1 140 140 LEU HD12 H 1 1.102 0.03 . 2 . . . . 140 L HD11 . 16098 1 1690 . 1 1 140 140 LEU HD13 H 1 1.102 0.03 . 2 . . . . 140 L HD11 . 16098 1 1691 . 1 1 140 140 LEU HD21 H 1 1.097 0.03 . 2 . . . . 140 L HD21 . 16098 1 1692 . 1 1 140 140 LEU HD22 H 1 1.097 0.03 . 2 . . . . 140 L HD21 . 16098 1 1693 . 1 1 140 140 LEU HD23 H 1 1.097 0.03 . 2 . . . . 140 L HD21 . 16098 1 1694 . 1 1 140 140 LEU HG H 1 1.647 0.03 . 1 . . . . 140 L HG . 16098 1 1695 . 1 1 140 140 LEU C C 13 176.228 0.3 . 1 . . . . 140 L C . 16098 1 1696 . 1 1 140 140 LEU CA C 13 53.252 0.3 . 1 . . . . 140 L CA . 16098 1 1697 . 1 1 140 140 LEU CB C 13 43.158 0.3 . 1 . . . . 140 L CB . 16098 1 1698 . 1 1 140 140 LEU CD1 C 13 26.424 0.3 . 1 . . . . 140 L CD1 . 16098 1 1699 . 1 1 140 140 LEU CD2 C 13 21.908 0.3 . 1 . . . . 140 L CD2 . 16098 1 1700 . 1 1 140 140 LEU CG C 13 27.487 0.3 . 1 . . . . 140 L CG . 16098 1 1701 . 1 1 140 140 LEU N N 15 118.606 0.3 . 1 . . . . 140 L N . 16098 1 1702 . 1 1 141 141 ASN H H 1 8.718 0.03 . 1 . . . . 141 N HN . 16098 1 1703 . 1 1 141 141 ASN HA H 1 5.451 0.03 . 1 . . . . 141 N HA . 16098 1 1704 . 1 1 141 141 ASN HB2 H 1 2.524 0.03 . 2 . . . . 141 N HB1 . 16098 1 1705 . 1 1 141 141 ASN HB3 H 1 3.055 0.03 . 2 . . . . 141 N HB2 . 16098 1 1706 . 1 1 141 141 ASN HD21 H 1 7.187 0.03 . 2 . . . . 141 N HD21 . 16098 1 1707 . 1 1 141 141 ASN HD22 H 1 6.945 0.03 . 2 . . . . 141 N HD22 . 16098 1 1708 . 1 1 141 141 ASN C C 13 174.143 0.3 . 1 . . . . 141 N C . 16098 1 1709 . 1 1 141 141 ASN CA C 13 52.957 0.3 . 1 . . . . 141 N CA . 16098 1 1710 . 1 1 141 141 ASN CB C 13 40.612 0.3 . 1 . . . . 141 N CB . 16098 1 1711 . 1 1 141 141 ASN N N 15 121.967 0.3 . 1 . . . . 141 N N . 16098 1 1712 . 1 1 141 141 ASN ND2 N 15 106.476 0.3 . 1 . . . . 141 N ND2 . 16098 1 1713 . 1 1 142 142 LEU H H 1 9.259 0.03 . 1 . . . . 142 L HN . 16098 1 1714 . 1 1 142 142 LEU HA H 1 5.837 0.03 . 1 . . . . 142 L HA . 16098 1 1715 . 1 1 142 142 LEU HB2 H 1 1.436 0.03 . 2 . . . . 142 L HB1 . 16098 1 1716 . 1 1 142 142 LEU HB3 H 1 1.701 0.03 . 2 . . . . 142 L HB2 . 16098 1 1717 . 1 1 142 142 LEU HD11 H 1 0.780 0.03 . 2 . . . . 142 L HD11 . 16098 1 1718 . 1 1 142 142 LEU HD12 H 1 0.780 0.03 . 2 . . . . 142 L HD11 . 16098 1 1719 . 1 1 142 142 LEU HD13 H 1 0.780 0.03 . 2 . . . . 142 L HD11 . 16098 1 1720 . 1 1 142 142 LEU HD21 H 1 0.378 0.03 . 2 . . . . 142 L HD21 . 16098 1 1721 . 1 1 142 142 LEU HD22 H 1 0.378 0.03 . 2 . . . . 142 L HD21 . 16098 1 1722 . 1 1 142 142 LEU HD23 H 1 0.378 0.03 . 2 . . . . 142 L HD21 . 16098 1 1723 . 1 1 142 142 LEU HG H 1 1.610 0.03 . 1 . . . . 142 L HG . 16098 1 1724 . 1 1 142 142 LEU C C 13 177.222 0.3 . 1 . . . . 142 L C . 16098 1 1725 . 1 1 142 142 LEU CA C 13 53.517 0.3 . 1 . . . . 142 L CA . 16098 1 1726 . 1 1 142 142 LEU CB C 13 45.549 0.3 . 1 . . . . 142 L CB . 16098 1 1727 . 1 1 142 142 LEU CD1 C 13 25.627 0.3 . 1 . . . . 142 L CD1 . 16098 1 1728 . 1 1 142 142 LEU CD2 C 13 26.955 0.3 . 1 . . . . 142 L CD2 . 16098 1 1729 . 1 1 142 142 LEU CG C 13 27.021 0.3 . 1 . . . . 142 L CG . 16098 1 1730 . 1 1 142 142 LEU N N 15 122.744 0.3 . 1 . . . . 142 L N . 16098 1 1731 . 1 1 143 143 ALA H H 1 9.331 0.03 . 1 . . . . 143 A HN . 16098 1 1732 . 1 1 143 143 ALA HA H 1 5.345 0.03 . 1 . . . . 143 A HA . 16098 1 1733 . 1 1 143 143 ALA HB1 H 1 1.548 0.03 . 1 . . . . 143 A HB1 . 16098 1 1734 . 1 1 143 143 ALA HB2 H 1 1.548 0.03 . 1 . . . . 143 A HB1 . 16098 1 1735 . 1 1 143 143 ALA HB3 H 1 1.548 0.03 . 1 . . . . 143 A HB1 . 16098 1 1736 . 1 1 143 143 ALA C C 13 176.522 0.3 . 1 . . . . 143 A C . 16098 1 1737 . 1 1 143 143 ALA CA C 13 51.392 0.3 . 1 . . . . 143 A CA . 16098 1 1738 . 1 1 143 143 ALA CB C 13 23.452 0.3 . 1 . . . . 143 A CB . 16098 1 1739 . 1 1 143 143 ALA N N 15 122.923 0.3 . 1 . . . . 143 A N . 16098 1 1740 . 1 1 144 144 TYR H H 1 9.025 0.03 . 1 . . . . 144 Y HN . 16098 1 1741 . 1 1 144 144 TYR HA H 1 3.575 0.03 . 1 . . . . 144 Y HA . 16098 1 1742 . 1 1 144 144 TYR HB2 H 1 2.000 0.03 . 2 . . . . 144 Y HB1 . 16098 1 1743 . 1 1 144 144 TYR HB3 H 1 2.692 0.03 . 2 . . . . 144 Y HB2 . 16098 1 1744 . 1 1 144 144 TYR HD1 H 1 6.306 0.03 . 3 . . . . 144 Y HD1 . 16098 1 1745 . 1 1 144 144 TYR HE1 H 1 6.859 0.03 . 3 . . . . 144 Y HE1 . 16098 1 1746 . 1 1 144 144 TYR C C 13 175.083 0.3 . 1 . . . . 144 Y C . 16098 1 1747 . 1 1 144 144 TYR CA C 13 60.641 0.3 . 1 . . . . 144 Y CA . 16098 1 1748 . 1 1 144 144 TYR CB C 13 39.174 0.3 . 1 . . . . 144 Y CB . 16098 1 1749 . 1 1 144 144 TYR CD1 C 13 132.957 0.3 . 3 . . . . 144 Y CD1 . 16098 1 1750 . 1 1 144 144 TYR CE1 C 13 118.467 0.3 . 3 . . . . 144 Y CE1 . 16098 1 1751 . 1 1 144 144 TYR N N 15 125.042 0.3 . 1 . . . . 144 Y N . 16098 1 1752 . 1 1 145 145 VAL H H 1 7.630 0.03 . 1 . . . . 145 V HN . 16098 1 1753 . 1 1 145 145 VAL HA H 1 4.245 0.03 . 1 . . . . 145 V HA . 16098 1 1754 . 1 1 145 145 VAL HB H 1 2.069 0.03 . 1 . . . . 145 V HB . 16098 1 1755 . 1 1 145 145 VAL HG11 H 1 0.913 0.03 . 2 . . . . 145 V HG11 . 16098 1 1756 . 1 1 145 145 VAL HG12 H 1 0.913 0.03 . 2 . . . . 145 V HG11 . 16098 1 1757 . 1 1 145 145 VAL HG13 H 1 0.913 0.03 . 2 . . . . 145 V HG11 . 16098 1 1758 . 1 1 145 145 VAL HG21 H 1 0.950 0.03 . 2 . . . . 145 V HG21 . 16098 1 1759 . 1 1 145 145 VAL HG22 H 1 0.950 0.03 . 2 . . . . 145 V HG21 . 16098 1 1760 . 1 1 145 145 VAL HG23 H 1 0.950 0.03 . 2 . . . . 145 V HG21 . 16098 1 1761 . 1 1 145 145 VAL C C 13 175.338 0.3 . 1 . . . . 145 V C . 16098 1 1762 . 1 1 145 145 VAL CA C 13 62.153 0.3 . 1 . . . . 145 V CA . 16098 1 1763 . 1 1 145 145 VAL CB C 13 34.127 0.3 . 1 . . . . 145 V CB . 16098 1 1764 . 1 1 145 145 VAL CG1 C 13 20.315 0.3 . 1 . . . . 145 V CG1 . 16098 1 1765 . 1 1 145 145 VAL CG2 C 13 21.377 0.3 . 1 . . . . 145 V CG2 . 16098 1 1766 . 1 1 145 145 VAL N N 15 124.988 0.3 . 1 . . . . 145 V N . 16098 1 1767 . 1 1 146 146 GLY H H 1 7.553 0.03 . 1 . . . . 146 G HN . 16098 1 1768 . 1 1 146 146 GLY HA2 H 1 3.710 0.03 . 2 . . . . 146 G HA1 . 16098 1 1769 . 1 1 146 146 GLY HA3 H 1 4.104 0.03 . 2 . . . . 146 G HA2 . 16098 1 1770 . 1 1 146 146 GLY C C 13 172.346 0.3 . 1 . . . . 146 G C . 16098 1 1771 . 1 1 146 146 GLY CA C 13 45.283 0.3 . 1 . . . . 146 G CA . 16098 1 1772 . 1 1 146 146 GLY N N 15 111.125 0.3 . 1 . . . . 146 G N . 16098 1 1773 . 1 1 147 147 ALA H H 1 7.957 0.03 . 1 . . . . 147 A HN . 16098 1 1774 . 1 1 147 147 ALA HA H 1 4.223 0.03 . 1 . . . . 147 A HA . 16098 1 1775 . 1 1 147 147 ALA HB1 H 1 1.420 0.03 . 1 . . . . 147 A HB1 . 16098 1 1776 . 1 1 147 147 ALA HB2 H 1 1.420 0.03 . 1 . . . . 147 A HB1 . 16098 1 1777 . 1 1 147 147 ALA HB3 H 1 1.420 0.03 . 1 . . . . 147 A HB1 . 16098 1 1778 . 1 1 147 147 ALA C C 13 182.645 0.3 . 1 . . . . 147 A C . 16098 1 1779 . 1 1 147 147 ALA CA C 13 53.783 0.3 . 1 . . . . 147 A CA . 16098 1 1780 . 1 1 147 147 ALA CB C 13 20.500 0.3 . 1 . . . . 147 A CB . 16098 1 1781 . 1 1 147 147 ALA N N 15 129.524 0.3 . 1 . . . . 147 A N . 16098 1 stop_ save_