data_16321 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16321 _Entry.Title ; Backbone 1H, 13C and 15N resonance assignments for the E2 conjugating enzyme, UbcH8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-28 _Entry.Accession_date 2009-05-28 _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 Stephanie Serniwka . A. . 16321 2 Gary Shaw . S. . 16321 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Western Ontario' . 16321 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16321 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 16321 '15N chemical shifts' 140 16321 '1H chemical shifts' 446 16321 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-04-19 2009-05-28 update author 'Update citations' 16321 1 . . 2009-10-14 2009-05-28 original author 'original release' 16321 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KJH 'BMRB Entry Tracking System' 16321 stop_ save_ ############### # Citations # ############### save_Citation _Citation.Sf_category citations _Citation.Sf_framecode Citation _Citation.Entry_ID 16321 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/bi901686j _Citation.PubMed_ID 19928833 _Citation.Full_citation . _Citation.Title 'The structure of the UbcH8-ubiquitin complex shows a unique ubiquitin interaction site' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 51 _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 12169 _Citation.Page_last 12179 _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 Stephanie Serniwka . A. . 16321 1 2 Gary Shaw . S. . 16321 1 stop_ save_ save_Citation_2 _Citation.Sf_category citations _Citation.Sf_framecode Citation_2 _Citation.Entry_ID 16321 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636915 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments for the human E2 conjugating enzyme, UbcH7' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 2 _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 21 _Citation.Page_last 23 _Citation.Year 2008 _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 Stephanie Serniwka . A. . 16321 2 2 Gary Shaw . S. . 16321 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16321 _Assembly.ID 1 _Assembly.Name UbcH8 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17638 _Assembly.Enzyme_commission_number 6.3.2.19 _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 UbcH8 1 $UbcH8 A . yes native no no . 'E2 ubiquitin conjugating enzyme' . 16321 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes EMBL CAG33407 . . . . . . 16321 1 yes GenBank 9246 . . . . . . 16321 1 yes PDB 1WZV . . X-ray 2.10 'Structure of UbcH8' . 16321 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'E2 ubiquitin conjugating enzyme' 16321 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UbcH8 _Entity.Sf_category entity _Entity.Sf_framecode UbcH8 _Entity.Entry_ID 16321 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UbcH8 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASMRVVKELEDLQKKPPPY LRNLSSDDANVLVWHALLLP DQPPYHLKAFNLRISFPPEY PFKPPMIKFTTKIYHPNVDE NGQICLPIISSENWKPSTKT SQVLEALNVLVNRPNIREPL RMDLADLLTQNPELFRKNAE EFTLRFGVDRPS ; _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 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'C97S, C101S' _Entity.EC_number 6.3.2.19 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17638 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes SWS O14933 . UB2L6_HUMAN . . . . . . . . . . . . . . 16321 1 2 no PDB 1WZV . "Crystal Structure Of Ubch8" . . . . . 100.00 155 98.68 98.68 1.45e-103 . . . . 16321 1 3 no PDB 1WZW . "Crystal Structure Of Ubch8" . . . . . 100.00 155 98.68 98.68 1.45e-103 . . . . 16321 1 4 no PDB 2KJH . "Nmr Based Structural Model Of The Ubch8-Ubiquitin Complex" . . . . . 100.00 152 98.68 98.68 1.39e-103 . . . . 16321 1 5 no DBJ BAG38109 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 153 98.68 98.68 1.34e-103 . . . . 16321 1 6 no EMBL CAB64566 . "ubiquitin-conjugating enzyme [Homo sapiens]" . . . . . 100.00 152 98.68 98.68 1.39e-103 . . . . 16321 1 7 no EMBL CAG33407 . "UBE2L6 [Homo sapiens]" . . . . . 100.00 153 98.68 98.68 1.34e-103 . . . . 16321 1 8 no GB AAB86433 . "ubiquitin conjugating enzyme [Homo sapiens]" . . . . . 100.00 152 98.68 98.68 1.39e-103 . . . . 16321 1 9 no GB AAD17525 . "ubiquitin-conjugating enzyme RIG-B [Homo sapiens]" . . . . . 100.00 153 98.68 98.68 1.34e-103 . . . . 16321 1 10 no GB AAH32491 . "Ubiquitin-conjugating enzyme E2L 6 [Homo sapiens]" . . . . . 100.00 153 98.68 98.68 1.34e-103 . . . . 16321 1 11 no GB ABM82217 . "ubiquitin-conjugating enzyme E2L 6 [synthetic construct]" . . . . . 100.00 153 98.68 98.68 1.34e-103 . . . . 16321 1 12 no GB ABM85401 . "ubiquitin-conjugating enzyme E2L 6 [synthetic construct]" . . . . . 100.00 153 98.68 98.68 1.34e-103 . . . . 16321 1 13 no REF NP_004214 . "ubiquitin/ISG15-conjugating enzyme E2 L6 isoform 1 [Homo sapiens]" . . . . . 100.00 153 98.68 98.68 1.34e-103 . . . . 16321 1 14 no REF NP_937826 . "ubiquitin/ISG15-conjugating enzyme E2 L6 isoform 2 [Homo sapiens]" . . . . . 57.24 87 97.70 97.70 1.69e-53 . . . . 16321 1 15 no REF XP_003318029 . "PREDICTED: ubiquitin/ISG15-conjugating enzyme E2 L6 isoform X2 [Pan troglodytes]" . . . . . 57.24 87 97.70 97.70 1.69e-53 . . . . 16321 1 16 no REF XP_003826475 . "PREDICTED: ubiquitin/ISG15-conjugating enzyme E2 L6 isoform X1 [Pan paniscus]" . . . . . 100.00 153 98.68 98.68 1.34e-103 . . . . 16321 1 17 no REF XP_004051215 . "PREDICTED: ubiquitin/ISG15-conjugating enzyme E2 L6 isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 153 97.37 98.03 3.80e-102 . . . . 16321 1 18 no SP O14933 . "RecName: Full=Ubiquitin/ISG15-conjugating enzyme E2 L6; AltName: Full=E2 ubiquitin-conjugating enzyme L6; AltName: Full=Retinoi" . . . . . 100.00 153 98.68 98.68 1.34e-103 . . . . 16321 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'E2 ubiquitin conjugating enzyme' 16321 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 . 16321 1 2 . ALA . 16321 1 3 . SER . 16321 1 4 . MET . 16321 1 5 . ARG . 16321 1 6 . VAL . 16321 1 7 . VAL . 16321 1 8 . LYS . 16321 1 9 . GLU . 16321 1 10 . LEU . 16321 1 11 . GLU . 16321 1 12 . ASP . 16321 1 13 . LEU . 16321 1 14 . GLN . 16321 1 15 . LYS . 16321 1 16 . LYS . 16321 1 17 . PRO . 16321 1 18 . PRO . 16321 1 19 . PRO . 16321 1 20 . TYR . 16321 1 21 . LEU . 16321 1 22 . ARG . 16321 1 23 . ASN . 16321 1 24 . LEU . 16321 1 25 . SER . 16321 1 26 . SER . 16321 1 27 . ASP . 16321 1 28 . ASP . 16321 1 29 . ALA . 16321 1 30 . ASN . 16321 1 31 . VAL . 16321 1 32 . LEU . 16321 1 33 . VAL . 16321 1 34 . TRP . 16321 1 35 . HIS . 16321 1 36 . ALA . 16321 1 37 . LEU . 16321 1 38 . LEU . 16321 1 39 . LEU . 16321 1 40 . PRO . 16321 1 41 . ASP . 16321 1 42 . GLN . 16321 1 43 . PRO . 16321 1 44 . PRO . 16321 1 45 . TYR . 16321 1 46 . HIS . 16321 1 47 . LEU . 16321 1 48 . LYS . 16321 1 49 . ALA . 16321 1 50 . PHE . 16321 1 51 . ASN . 16321 1 52 . LEU . 16321 1 53 . ARG . 16321 1 54 . ILE . 16321 1 55 . SER . 16321 1 56 . PHE . 16321 1 57 . PRO . 16321 1 58 . PRO . 16321 1 59 . GLU . 16321 1 60 . TYR . 16321 1 61 . PRO . 16321 1 62 . PHE . 16321 1 63 . LYS . 16321 1 64 . PRO . 16321 1 65 . PRO . 16321 1 66 . MET . 16321 1 67 . ILE . 16321 1 68 . LYS . 16321 1 69 . PHE . 16321 1 70 . THR . 16321 1 71 . THR . 16321 1 72 . LYS . 16321 1 73 . ILE . 16321 1 74 . TYR . 16321 1 75 . HIS . 16321 1 76 . PRO . 16321 1 77 . ASN . 16321 1 78 . VAL . 16321 1 79 . ASP . 16321 1 80 . GLU . 16321 1 81 . ASN . 16321 1 82 . GLY . 16321 1 83 . GLN . 16321 1 84 . ILE . 16321 1 85 . CYS . 16321 1 86 . LEU . 16321 1 87 . PRO . 16321 1 88 . ILE . 16321 1 89 . ILE . 16321 1 90 . SER . 16321 1 91 . SER . 16321 1 92 . GLU . 16321 1 93 . ASN . 16321 1 94 . TRP . 16321 1 95 . LYS . 16321 1 96 . PRO . 16321 1 97 . SER . 16321 1 98 . THR . 16321 1 99 . LYS . 16321 1 100 . THR . 16321 1 101 . SER . 16321 1 102 . GLN . 16321 1 103 . VAL . 16321 1 104 . LEU . 16321 1 105 . GLU . 16321 1 106 . ALA . 16321 1 107 . LEU . 16321 1 108 . ASN . 16321 1 109 . VAL . 16321 1 110 . LEU . 16321 1 111 . VAL . 16321 1 112 . ASN . 16321 1 113 . ARG . 16321 1 114 . PRO . 16321 1 115 . ASN . 16321 1 116 . ILE . 16321 1 117 . ARG . 16321 1 118 . GLU . 16321 1 119 . PRO . 16321 1 120 . LEU . 16321 1 121 . ARG . 16321 1 122 . MET . 16321 1 123 . ASP . 16321 1 124 . LEU . 16321 1 125 . ALA . 16321 1 126 . ASP . 16321 1 127 . LEU . 16321 1 128 . LEU . 16321 1 129 . THR . 16321 1 130 . GLN . 16321 1 131 . ASN . 16321 1 132 . PRO . 16321 1 133 . GLU . 16321 1 134 . LEU . 16321 1 135 . PHE . 16321 1 136 . ARG . 16321 1 137 . LYS . 16321 1 138 . ASN . 16321 1 139 . ALA . 16321 1 140 . GLU . 16321 1 141 . GLU . 16321 1 142 . PHE . 16321 1 143 . THR . 16321 1 144 . LEU . 16321 1 145 . ARG . 16321 1 146 . PHE . 16321 1 147 . GLY . 16321 1 148 . VAL . 16321 1 149 . ASP . 16321 1 150 . ARG . 16321 1 151 . PRO . 16321 1 152 . SER . 16321 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 16321 1 . ALA 2 2 16321 1 . SER 3 3 16321 1 . MET 4 4 16321 1 . ARG 5 5 16321 1 . VAL 6 6 16321 1 . VAL 7 7 16321 1 . LYS 8 8 16321 1 . GLU 9 9 16321 1 . LEU 10 10 16321 1 . GLU 11 11 16321 1 . ASP 12 12 16321 1 . LEU 13 13 16321 1 . GLN 14 14 16321 1 . LYS 15 15 16321 1 . LYS 16 16 16321 1 . PRO 17 17 16321 1 . PRO 18 18 16321 1 . PRO 19 19 16321 1 . TYR 20 20 16321 1 . LEU 21 21 16321 1 . ARG 22 22 16321 1 . ASN 23 23 16321 1 . LEU 24 24 16321 1 . SER 25 25 16321 1 . SER 26 26 16321 1 . ASP 27 27 16321 1 . ASP 28 28 16321 1 . ALA 29 29 16321 1 . ASN 30 30 16321 1 . VAL 31 31 16321 1 . LEU 32 32 16321 1 . VAL 33 33 16321 1 . TRP 34 34 16321 1 . HIS 35 35 16321 1 . ALA 36 36 16321 1 . LEU 37 37 16321 1 . LEU 38 38 16321 1 . LEU 39 39 16321 1 . PRO 40 40 16321 1 . ASP 41 41 16321 1 . GLN 42 42 16321 1 . PRO 43 43 16321 1 . PRO 44 44 16321 1 . TYR 45 45 16321 1 . HIS 46 46 16321 1 . LEU 47 47 16321 1 . LYS 48 48 16321 1 . ALA 49 49 16321 1 . PHE 50 50 16321 1 . ASN 51 51 16321 1 . LEU 52 52 16321 1 . ARG 53 53 16321 1 . ILE 54 54 16321 1 . SER 55 55 16321 1 . PHE 56 56 16321 1 . PRO 57 57 16321 1 . PRO 58 58 16321 1 . GLU 59 59 16321 1 . TYR 60 60 16321 1 . PRO 61 61 16321 1 . PHE 62 62 16321 1 . LYS 63 63 16321 1 . PRO 64 64 16321 1 . PRO 65 65 16321 1 . MET 66 66 16321 1 . ILE 67 67 16321 1 . LYS 68 68 16321 1 . PHE 69 69 16321 1 . THR 70 70 16321 1 . THR 71 71 16321 1 . LYS 72 72 16321 1 . ILE 73 73 16321 1 . TYR 74 74 16321 1 . HIS 75 75 16321 1 . PRO 76 76 16321 1 . ASN 77 77 16321 1 . VAL 78 78 16321 1 . ASP 79 79 16321 1 . GLU 80 80 16321 1 . ASN 81 81 16321 1 . GLY 82 82 16321 1 . GLN 83 83 16321 1 . ILE 84 84 16321 1 . CYS 85 85 16321 1 . LEU 86 86 16321 1 . PRO 87 87 16321 1 . ILE 88 88 16321 1 . ILE 89 89 16321 1 . SER 90 90 16321 1 . SER 91 91 16321 1 . GLU 92 92 16321 1 . ASN 93 93 16321 1 . TRP 94 94 16321 1 . LYS 95 95 16321 1 . PRO 96 96 16321 1 . SER 97 97 16321 1 . THR 98 98 16321 1 . LYS 99 99 16321 1 . THR 100 100 16321 1 . SER 101 101 16321 1 . GLN 102 102 16321 1 . VAL 103 103 16321 1 . LEU 104 104 16321 1 . GLU 105 105 16321 1 . ALA 106 106 16321 1 . LEU 107 107 16321 1 . ASN 108 108 16321 1 . VAL 109 109 16321 1 . LEU 110 110 16321 1 . VAL 111 111 16321 1 . ASN 112 112 16321 1 . ARG 113 113 16321 1 . PRO 114 114 16321 1 . ASN 115 115 16321 1 . ILE 116 116 16321 1 . ARG 117 117 16321 1 . GLU 118 118 16321 1 . PRO 119 119 16321 1 . LEU 120 120 16321 1 . ARG 121 121 16321 1 . MET 122 122 16321 1 . ASP 123 123 16321 1 . LEU 124 124 16321 1 . ALA 125 125 16321 1 . ASP 126 126 16321 1 . LEU 127 127 16321 1 . LEU 128 128 16321 1 . THR 129 129 16321 1 . GLN 130 130 16321 1 . ASN 131 131 16321 1 . PRO 132 132 16321 1 . GLU 133 133 16321 1 . LEU 134 134 16321 1 . PHE 135 135 16321 1 . ARG 136 136 16321 1 . LYS 137 137 16321 1 . ASN 138 138 16321 1 . ALA 139 139 16321 1 . GLU 140 140 16321 1 . GLU 141 141 16321 1 . PHE 142 142 16321 1 . THR 143 143 16321 1 . LEU 144 144 16321 1 . ARG 145 145 16321 1 . PHE 146 146 16321 1 . GLY 147 147 16321 1 . VAL 148 148 16321 1 . ASP 149 149 16321 1 . ARG 150 150 16321 1 . PRO 151 151 16321 1 . SER 152 152 16321 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 16321 _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 $UbcH8 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . UBE2L6 . . . . 16321 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 16321 _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 $UbcH8 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . p11 . . . . . . 16321 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_UbcH8 _Sample.Sf_category sample _Sample.Sf_framecode sample_UbcH8 _Sample.Entry_ID 16321 _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 UbcH8 '[U-100% 13C; U-100% 15N]' . . 1 $UbcH8 . . 0.5 . . mM . . . . 16321 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16321 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16321 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16321 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16321 1 6 Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 16321 1 7 'Glutamic Acid' 'natural abundance' . . . . . . 50 . . mM . . . . 16321 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16321 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16321 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_for_UbcH8 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_for_UbcH8 _Sample_condition_list.Entry_ID 16321 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16321 1 pH 7.4 . pH 16321 1 pressure 1 . atm 16321 1 temperature 298 . K 16321 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16321 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16321 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16321 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16321 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16321 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16321 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16321 _Software.ID 3 _Software.Name VNMRJ _Software.Version 2.1B _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16321 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16321 3 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 16321 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16321 _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 Varian INOVA . 600 . . . 16321 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 16321 _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_UbcH8 isotropic . . 1 $sample_conditions_for_UbcH8 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16321 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_UbcH8 isotropic . . 1 $sample_conditions_for_UbcH8 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16321 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_UbcH8 isotropic . . 1 $sample_conditions_for_UbcH8 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16321 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_UbcH8 isotropic . . 1 $sample_conditions_for_UbcH8 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16321 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_UbcH8 isotropic . . 1 $sample_conditions_for_UbcH8 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16321 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_UbcH8 isotropic . . 1 $sample_conditions_for_UbcH8 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16321 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Chemical_Shift_Reference_for_UbcH8 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode Chemical_Shift_Reference_for_UbcH8 _Chem_shift_reference.Entry_ID 16321 _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 . . . . . . . . . 16321 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16321 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16321 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_Chemical_Shifts_for_UbcH8 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_Chemical_Shifts_for_UbcH8 _Assigned_chem_shift_list.Entry_ID 16321 _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_for_UbcH8 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Chemical_Shift_Reference_for_UbcH8 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 16321 1 2 '3D CBCA(CO)NH' . . . 16321 1 3 '3D HNCACB' . . . 16321 1 4 '3D HNCO' . . . 16321 1 5 '3D C(CO)NH' . . . 16321 1 6 '3D H(CCO)NH' . . . 16321 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 $NMRView . . 16321 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 4.419 . . 1 . . . . 1 M HA . 16321 1 2 . 1 1 1 1 MET HB2 H 1 2.608 . . 2 . . . . 1 M HB1 . 16321 1 3 . 1 1 1 1 MET C C 13 177.128 . . 1 . . . . 1 M C . 16321 1 4 . 1 1 1 1 MET CA C 13 56.828 . . 1 . . . . 1 M CA . 16321 1 5 . 1 1 1 1 MET CB C 13 32.757 . . 1 . . . . 1 M CB . 16321 1 6 . 1 1 2 2 ALA H H 1 8.730 . . 1 . . . . 2 A HN . 16321 1 7 . 1 1 2 2 ALA HB1 H 1 1.607 . . 1 . . . . 2 A HB1 . 16321 1 8 . 1 1 2 2 ALA HB2 H 1 1.607 . . 1 . . . . 2 A HB1 . 16321 1 9 . 1 1 2 2 ALA HB3 H 1 1.607 . . 1 . . . . 2 A HB1 . 16321 1 10 . 1 1 2 2 ALA C C 13 178.821 . . 1 . . . . 2 A C . 16321 1 11 . 1 1 2 2 ALA CA C 13 54.930 . . 1 . . . . 2 A CA . 16321 1 12 . 1 1 2 2 ALA CB C 13 19.897 . . 1 . . . . 2 A CB . 16321 1 13 . 1 1 2 2 ALA N N 15 125.200 . . 1 . . . . 2 A N . 16321 1 14 . 1 1 3 3 SER H H 1 8.246 . . 1 . . . . 3 S HN . 16321 1 15 . 1 1 3 3 SER HB2 H 1 4.017 . . 2 . . . . 3 S HB1 . 16321 1 16 . 1 1 3 3 SER C C 13 176.498 . . 1 . . . . 3 S C . 16321 1 17 . 1 1 3 3 SER CA C 13 61.192 . . 1 . . . . 3 S CA . 16321 1 18 . 1 1 3 3 SER CB C 13 62.575 . . 1 . . . . 3 S CB . 16321 1 19 . 1 1 3 3 SER N N 15 111.876 . . 1 . . . . 3 S N . 16321 1 20 . 1 1 4 4 MET H H 1 8.835 . . 1 . . . . 4 M HN . 16321 1 21 . 1 1 4 4 MET CA C 13 58.720 . . 1 . . . . 4 M CA . 16321 1 22 . 1 1 4 4 MET CB C 13 29.478 . . 1 . . . . 4 M CB . 16321 1 23 . 1 1 4 4 MET N N 15 118.609 . . 1 . . . . 4 M N . 16321 1 24 . 1 1 5 5 ARG HA H 1 4.221 . . 1 . . . . 5 R HA . 16321 1 25 . 1 1 5 5 ARG HD2 H 1 2.921 . . 2 . . . . 5 R HD1 . 16321 1 26 . 1 1 5 5 ARG C C 13 177.998 . . 1 . . . . 5 R C . 16321 1 27 . 1 1 5 5 ARG CA C 13 58.854 . . 1 . . . . 5 R CA . 16321 1 28 . 1 1 5 5 ARG CB C 13 31.927 . . 1 . . . . 5 R CB . 16321 1 29 . 1 1 6 6 VAL H H 1 8.175 . . 1 . . . . 6 V HN . 16321 1 30 . 1 1 6 6 VAL HA H 1 3.350 . . 1 . . . . 6 V HA . 16321 1 31 . 1 1 6 6 VAL HB H 1 1.886 . . 1 . . . . 6 V HB . 16321 1 32 . 1 1 6 6 VAL HG11 H 1 1.101 . . 4 . . . . 6 V HG11 . 16321 1 33 . 1 1 6 6 VAL HG12 H 1 1.101 . . 4 . . . . 6 V HG11 . 16321 1 34 . 1 1 6 6 VAL HG13 H 1 1.101 . . 4 . . . . 6 V HG11 . 16321 1 35 . 1 1 6 6 VAL C C 13 177.686 . . 1 . . . . 6 V C . 16321 1 36 . 1 1 6 6 VAL CA C 13 67.276 . . 1 . . . . 6 V CA . 16321 1 37 . 1 1 6 6 VAL CG1 C 13 22.243 . . 2 . . . . 6 V CG1 . 16321 1 38 . 1 1 6 6 VAL N N 15 118.972 . . 1 . . . . 6 V N . 16321 1 39 . 1 1 7 7 VAL H H 1 8.011 . . 1 . . . . 7 V HN . 16321 1 40 . 1 1 7 7 VAL HA H 1 3.695 . . 1 . . . . 7 V HA . 16321 1 41 . 1 1 7 7 VAL HG11 H 1 1.039 . . 4 . . . . 7 V HG11 . 16321 1 42 . 1 1 7 7 VAL HG12 H 1 1.039 . . 4 . . . . 7 V HG11 . 16321 1 43 . 1 1 7 7 VAL HG13 H 1 1.039 . . 4 . . . . 7 V HG11 . 16321 1 44 . 1 1 7 7 VAL C C 13 178.005 . . 1 . . . . 7 V C . 16321 1 45 . 1 1 7 7 VAL CA C 13 66.775 . . 1 . . . . 7 V CA . 16321 1 46 . 1 1 7 7 VAL CB C 13 31.938 . . 1 . . . . 7 V CB . 16321 1 47 . 1 1 7 7 VAL CG1 C 13 23.227 . . 2 . . . . 7 V CG1 . 16321 1 48 . 1 1 7 7 VAL CG2 C 13 21.182 . . 2 . . . . 7 V CG2 . 16321 1 49 . 1 1 7 7 VAL N N 15 118.082 . . 1 . . . . 7 V N . 16321 1 50 . 1 1 8 8 LYS H H 1 7.348 . . 1 . . . . 8 K HN . 16321 1 51 . 1 1 8 8 LYS HA H 1 4.196 . . 1 . . . . 8 K HA . 16321 1 52 . 1 1 8 8 LYS C C 13 178.842 . . 1 . . . . 8 K C . 16321 1 53 . 1 1 8 8 LYS CA C 13 58.710 . . 1 . . . . 8 K CA . 16321 1 54 . 1 1 8 8 LYS CB C 13 32.080 . . 1 . . . . 8 K CB . 16321 1 55 . 1 1 8 8 LYS N N 15 120.115 . . 1 . . . . 8 K N . 16321 1 56 . 1 1 9 9 GLU H H 1 8.424 . . 1 . . . . 9 E HN . 16321 1 57 . 1 1 9 9 GLU HA H 1 4.183 . . 1 . . . . 9 E HA . 16321 1 58 . 1 1 9 9 GLU C C 13 179.794 . . 1 . . . . 9 E C . 16321 1 59 . 1 1 9 9 GLU CA C 13 60.521 . . 1 . . . . 9 E CA . 16321 1 60 . 1 1 9 9 GLU CB C 13 30.790 . . 1 . . . . 9 E CB . 16321 1 61 . 1 1 9 9 GLU N N 15 118.525 . . 1 . . . . 9 E N . 16321 1 62 . 1 1 10 10 LEU H H 1 8.542 . . 1 . . . . 10 L HN . 16321 1 63 . 1 1 10 10 LEU HA H 1 3.931 . . 1 . . . . 10 L HA . 16321 1 64 . 1 1 10 10 LEU HB2 H 1 1.297 . . 2 . . . . 10 L HB1 . 16321 1 65 . 1 1 10 10 LEU C C 13 177.922 . . 1 . . . . 10 L C . 16321 1 66 . 1 1 10 10 LEU CA C 13 57.776 . . 1 . . . . 10 L CA . 16321 1 67 . 1 1 10 10 LEU CB C 13 40.075 . . 1 . . . . 10 L CB . 16321 1 68 . 1 1 10 10 LEU N N 15 121.165 . . 1 . . . . 10 L N . 16321 1 69 . 1 1 11 11 GLU H H 1 8.105 . . 1 . . . . 11 E HN . 16321 1 70 . 1 1 11 11 GLU HB2 H 1 2.157 . . 2 . . . . 11 E HB1 . 16321 1 71 . 1 1 11 11 GLU HB3 H 1 2.506 . . 2 . . . . 11 E HB2 . 16321 1 72 . 1 1 11 11 GLU C C 13 179.568 . . 1 . . . . 11 E C . 16321 1 73 . 1 1 11 11 GLU CA C 13 59.540 . . 1 . . . . 11 E CA . 16321 1 74 . 1 1 11 11 GLU CB C 13 29.693 . . 1 . . . . 11 E CB . 16321 1 75 . 1 1 11 11 GLU N N 15 118.478 . . 1 . . . . 11 E N . 16321 1 76 . 1 1 12 12 ASP H H 1 8.097 . . 1 . . . . 12 D HN . 16321 1 77 . 1 1 12 12 ASP HB2 H 1 2.775 . . 2 . . . . 12 D HB1 . 16321 1 78 . 1 1 12 12 ASP C C 13 179.292 . . 1 . . . . 12 D C . 16321 1 79 . 1 1 12 12 ASP CA C 13 57.582 . . 1 . . . . 12 D CA . 16321 1 80 . 1 1 12 12 ASP CB C 13 40.676 . . 1 . . . . 12 D CB . 16321 1 81 . 1 1 12 12 ASP N N 15 118.478 . . 1 . . . . 12 D N . 16321 1 82 . 1 1 13 13 LEU H H 1 7.663 . . 1 . . . . 13 L HN . 16321 1 83 . 1 1 13 13 LEU HB2 H 1 1.767 . . 2 . . . . 13 L HB1 . 16321 1 84 . 1 1 13 13 LEU HD11 H 1 0.924 . . 4 . . . . 13 L HD11 . 16321 1 85 . 1 1 13 13 LEU HD12 H 1 0.924 . . 4 . . . . 13 L HD11 . 16321 1 86 . 1 1 13 13 LEU HD13 H 1 0.924 . . 4 . . . . 13 L HD11 . 16321 1 87 . 1 1 13 13 LEU HD21 H 1 1.121 . . 4 . . . . 13 L HD21 . 16321 1 88 . 1 1 13 13 LEU HD22 H 1 1.121 . . 4 . . . . 13 L HD21 . 16321 1 89 . 1 1 13 13 LEU HD23 H 1 1.121 . . 4 . . . . 13 L HD21 . 16321 1 90 . 1 1 13 13 LEU C C 13 177.864 . . 1 . . . . 13 L C . 16321 1 91 . 1 1 13 13 LEU CA C 13 57.601 . . 1 . . . . 13 L CA . 16321 1 92 . 1 1 13 13 LEU CB C 13 43.248 . . 1 . . . . 13 L CB . 16321 1 93 . 1 1 13 13 LEU CD1 C 13 24.400 . . 2 . . . . 13 L CD1 . 16321 1 94 . 1 1 13 13 LEU N N 15 121.381 . . 1 . . . . 13 L N . 16321 1 95 . 1 1 14 14 GLN H H 1 8.351 . . 1 . . . . 14 Q HN . 16321 1 96 . 1 1 14 14 GLN HA H 1 3.863 . . 1 . . . . 14 Q HA . 16321 1 97 . 1 1 14 14 GLN HB2 H 1 1.993 . . 2 . . . . 14 Q HB1 . 16321 1 98 . 1 1 14 14 GLN HE21 H 1 7.767 . . 2 . . . . 14 Q HE21 . 16321 1 99 . 1 1 14 14 GLN HE22 H 1 6.845 . . 2 . . . . 14 Q HE22 . 16321 1 100 . 1 1 14 14 GLN C C 13 179.003 . . 1 . . . . 14 Q C . 16321 1 101 . 1 1 14 14 GLN CA C 13 58.289 . . 1 . . . . 14 Q CA . 16321 1 102 . 1 1 14 14 GLN CB C 13 28.920 . . 1 . . . . 14 Q CB . 16321 1 103 . 1 1 14 14 GLN CG C 13 34.814 . . 1 . . . . 14 Q CG . 16321 1 104 . 1 1 14 14 GLN N N 15 114.554 . . 1 . . . . 14 Q N . 16321 1 105 . 1 1 14 14 GLN NE2 N 15 111.048 . . 1 . . . . 14 Q NE2 . 16321 1 106 . 1 1 15 15 LYS H H 1 7.718 . . 1 . . . . 15 K HN . 16321 1 107 . 1 1 15 15 LYS HA H 1 4.089 . . 1 . . . . 15 K HA . 16321 1 108 . 1 1 15 15 LYS HD2 H 1 1.674 . . 2 . . . . 15 K HD1 . 16321 1 109 . 1 1 15 15 LYS C C 13 177.237 . . 1 . . . . 15 K C . 16321 1 110 . 1 1 15 15 LYS CA C 13 58.385 . . 1 . . . . 15 K CA . 16321 1 111 . 1 1 15 15 LYS CB C 13 33.226 . . 1 . . . . 15 K CB . 16321 1 112 . 1 1 15 15 LYS N N 15 117.534 . . 1 . . . . 15 K N . 16321 1 113 . 1 1 16 16 LYS H H 1 7.161 . . 1 . . . . 16 K HN . 16321 1 114 . 1 1 16 16 LYS CA C 13 53.599 . . 1 . . . . 16 K CA . 16321 1 115 . 1 1 16 16 LYS CB C 13 32.912 . . 1 . . . . 16 K CB . 16321 1 116 . 1 1 16 16 LYS N N 15 117.931 . . 1 . . . . 16 K N . 16321 1 117 . 1 1 19 19 PRO HB2 H 1 2.152 . . 2 . . . . 19 P HB1 . 16321 1 118 . 1 1 19 19 PRO C C 13 176.222 . . 1 . . . . 19 P C . 16321 1 119 . 1 1 19 19 PRO CA C 13 64.837 . . 1 . . . . 19 P CA . 16321 1 120 . 1 1 19 19 PRO CB C 13 31.814 . . 1 . . . . 19 P CB . 16321 1 121 . 1 1 20 20 TYR H H 1 5.947 . . 1 . . . . 20 Y HN . 16321 1 122 . 1 1 20 20 TYR HB2 H 1 2.849 . . 2 . . . . 20 Y HB1 . 16321 1 123 . 1 1 20 20 TYR HB3 H 1 3.529 . . 2 . . . . 20 Y HB2 . 16321 1 124 . 1 1 20 20 TYR C C 13 173.746 . . 1 . . . . 20 Y C . 16321 1 125 . 1 1 20 20 TYR CA C 13 54.887 . . 1 . . . . 20 Y CA . 16321 1 126 . 1 1 20 20 TYR CB C 13 37.785 . . 1 . . . . 20 Y CB . 16321 1 127 . 1 1 20 20 TYR N N 15 108.910 . . 1 . . . . 20 Y N . 16321 1 128 . 1 1 21 21 LEU H H 1 7.369 . . 1 . . . . 21 L HN . 16321 1 129 . 1 1 21 21 LEU HB2 H 1 1.175 . . 2 . . . . 21 L HB1 . 16321 1 130 . 1 1 21 21 LEU HB3 H 1 1.490 . . 2 . . . . 21 L HB2 . 16321 1 131 . 1 1 21 21 LEU HD11 H 1 0.865 . . 4 . . . . 21 L HD11 . 16321 1 132 . 1 1 21 21 LEU HD12 H 1 0.865 . . 4 . . . . 21 L HD11 . 16321 1 133 . 1 1 21 21 LEU HD13 H 1 0.865 . . 4 . . . . 21 L HD11 . 16321 1 134 . 1 1 21 21 LEU C C 13 176.387 . . 1 . . . . 21 L C . 16321 1 135 . 1 1 21 21 LEU CA C 13 53.205 . . 1 . . . . 21 L CA . 16321 1 136 . 1 1 21 21 LEU CB C 13 46.989 . . 1 . . . . 21 L CB . 16321 1 137 . 1 1 21 21 LEU CD1 C 13 25.692 . . 2 . . . . 21 L CD1 . 16321 1 138 . 1 1 21 21 LEU N N 15 123.178 . . 1 . . . . 21 L N . 16321 1 139 . 1 1 22 22 ARG H H 1 9.107 . . 1 . . . . 22 R HN . 16321 1 140 . 1 1 22 22 ARG HA H 1 4.758 . . 1 . . . . 22 R HA . 16321 1 141 . 1 1 22 22 ARG C C 13 174.523 . . 1 . . . . 22 R C . 16321 1 142 . 1 1 22 22 ARG CA C 13 52.812 . . 1 . . . . 22 R CA . 16321 1 143 . 1 1 22 22 ARG CB C 13 34.308 . . 1 . . . . 22 R CB . 16321 1 144 . 1 1 22 22 ARG N N 15 120.573 . . 1 . . . . 22 R N . 16321 1 145 . 1 1 23 23 ASN H H 1 9.001 . . 1 . . . . 23 N HN . 16321 1 146 . 1 1 23 23 ASN HB2 H 1 2.784 . . 2 . . . . 23 N HB1 . 16321 1 147 . 1 1 23 23 ASN HB3 H 1 2.984 . . 2 . . . . 23 N HB2 . 16321 1 148 . 1 1 23 23 ASN HD21 H 1 7.344 . . 2 . . . . 23 N HD21 . 16321 1 149 . 1 1 23 23 ASN HD22 H 1 6.839 . . 2 . . . . 23 N HD22 . 16321 1 150 . 1 1 23 23 ASN C C 13 174.206 . . 1 . . . . 23 N C . 16321 1 151 . 1 1 23 23 ASN CA C 13 53.232 . . 1 . . . . 23 N CA . 16321 1 152 . 1 1 23 23 ASN CB C 13 36.387 . . 1 . . . . 23 N CB . 16321 1 153 . 1 1 23 23 ASN N N 15 116.352 . . 1 . . . . 23 N N . 16321 1 154 . 1 1 23 23 ASN ND2 N 15 110.516 . . 1 . . . . 23 N ND2 . 16321 1 155 . 1 1 24 24 LEU H H 1 7.975 . . 1 . . . . 24 L HN . 16321 1 156 . 1 1 24 24 LEU HA H 1 4.939 . . 1 . . . . 24 L HA . 16321 1 157 . 1 1 24 24 LEU HB2 H 1 1.597 . . 2 . . . . 24 L HB1 . 16321 1 158 . 1 1 24 24 LEU HD11 H 1 0.558 . . 4 . . . . 24 L HD11 . 16321 1 159 . 1 1 24 24 LEU HD12 H 1 0.558 . . 4 . . . . 24 L HD11 . 16321 1 160 . 1 1 24 24 LEU HD13 H 1 0.558 . . 4 . . . . 24 L HD11 . 16321 1 161 . 1 1 24 24 LEU HD21 H 1 0.709 . . 4 . . . . 24 L HD21 . 16321 1 162 . 1 1 24 24 LEU HD22 H 1 0.709 . . 4 . . . . 24 L HD21 . 16321 1 163 . 1 1 24 24 LEU HD23 H 1 0.709 . . 4 . . . . 24 L HD21 . 16321 1 164 . 1 1 24 24 LEU C C 13 177.358 . . 1 . . . . 24 L C . 16321 1 165 . 1 1 24 24 LEU CA C 13 55.709 . . 1 . . . . 24 L CA . 16321 1 166 . 1 1 24 24 LEU CB C 13 41.916 . . 1 . . . . 24 L CB . 16321 1 167 . 1 1 24 24 LEU CD1 C 13 23.741 . . 2 . . . . 24 L CD1 . 16321 1 168 . 1 1 24 24 LEU CG C 13 27.457 . . 1 . . . . 24 L CG . 16321 1 169 . 1 1 24 24 LEU N N 15 119.619 . . 1 . . . . 24 L N . 16321 1 170 . 1 1 25 25 SER H H 1 9.163 . . 1 . . . . 25 S HN . 16321 1 171 . 1 1 25 25 SER HB2 H 1 3.743 . . 2 . . . . 25 S HB1 . 16321 1 172 . 1 1 25 25 SER C C 13 172.467 . . 1 . . . . 25 S C . 16321 1 173 . 1 1 25 25 SER CA C 13 57.493 . . 1 . . . . 25 S CA . 16321 1 174 . 1 1 25 25 SER CB C 13 65.969 . . 1 . . . . 25 S CB . 16321 1 175 . 1 1 25 25 SER N N 15 122.243 . . 1 . . . . 25 S N . 16321 1 176 . 1 1 26 26 SER H H 1 8.397 . . 1 . . . . 26 S HN . 16321 1 177 . 1 1 26 26 SER HB2 H 1 3.832 . . 2 . . . . 26 S HB1 . 16321 1 178 . 1 1 26 26 SER C C 13 175.213 . . 1 . . . . 26 S C . 16321 1 179 . 1 1 26 26 SER CA C 13 57.344 . . 1 . . . . 26 S CA . 16321 1 180 . 1 1 26 26 SER CB C 13 65.505 . . 1 . . . . 26 S CB . 16321 1 181 . 1 1 26 26 SER N N 15 115.593 . . 1 . . . . 26 S N . 16321 1 182 . 1 1 27 27 ASP H H 1 8.706 . . 1 . . . . 27 D HN . 16321 1 183 . 1 1 27 27 ASP HA H 1 4.684 . . 1 . . . . 27 D HA . 16321 1 184 . 1 1 27 27 ASP HB2 H 1 2.591 . . 2 . . . . 27 D HB1 . 16321 1 185 . 1 1 27 27 ASP HB3 H 1 3.257 . . 2 . . . . 27 D HB2 . 16321 1 186 . 1 1 27 27 ASP CA C 13 54.611 . . 1 . . . . 27 D CA . 16321 1 187 . 1 1 27 27 ASP CB C 13 42.390 . . 1 . . . . 27 D CB . 16321 1 188 . 1 1 27 27 ASP N N 15 124.439 . . 1 . . . . 27 D N . 16321 1 189 . 1 1 28 28 ASP H H 1 8.718 . . 1 . . . . 28 D HN . 16321 1 190 . 1 1 28 28 ASP HB2 H 1 2.677 . . 2 . . . . 28 D HB1 . 16321 1 191 . 1 1 28 28 ASP C C 13 176.501 . . 1 . . . . 28 D C . 16321 1 192 . 1 1 28 28 ASP CA C 13 56.846 . . 1 . . . . 28 D CA . 16321 1 193 . 1 1 28 28 ASP CB C 13 41.012 . . 1 . . . . 28 D CB . 16321 1 194 . 1 1 28 28 ASP N N 15 125.173 . . 1 . . . . 28 D N . 16321 1 195 . 1 1 29 29 ALA H H 1 8.583 . . 1 . . . . 29 A HN . 16321 1 196 . 1 1 29 29 ALA HB1 H 1 1.409 . . 1 . . . . 29 A HB1 . 16321 1 197 . 1 1 29 29 ALA HB2 H 1 1.409 . . 1 . . . . 29 A HB1 . 16321 1 198 . 1 1 29 29 ALA HB3 H 1 1.409 . . 1 . . . . 29 A HB1 . 16321 1 199 . 1 1 29 29 ALA C C 13 177.461 . . 1 . . . . 29 A C . 16321 1 200 . 1 1 29 29 ALA CA C 13 52.411 . . 1 . . . . 29 A CA . 16321 1 201 . 1 1 29 29 ALA CB C 13 19.572 . . 1 . . . . 29 A CB . 16321 1 202 . 1 1 29 29 ALA N N 15 120.876 . . 1 . . . . 29 A N . 16321 1 203 . 1 1 30 30 ASN H H 1 7.765 . . 1 . . . . 30 N HN . 16321 1 204 . 1 1 30 30 ASN HA H 1 4.805 . . 1 . . . . 30 N HA . 16321 1 205 . 1 1 30 30 ASN C C 13 174.196 . . 1 . . . . 30 N C . 16321 1 206 . 1 1 30 30 ASN CA C 13 52.557 . . 1 . . . . 30 N CA . 16321 1 207 . 1 1 30 30 ASN CB C 13 38.940 . . 1 . . . . 30 N CB . 16321 1 208 . 1 1 30 30 ASN N N 15 116.583 . . 1 . . . . 30 N N . 16321 1 209 . 1 1 31 31 VAL H H 1 8.277 . . 1 . . . . 31 V HN . 16321 1 210 . 1 1 31 31 VAL HB H 1 2.260 . . 1 . . . . 31 V HB . 16321 1 211 . 1 1 31 31 VAL HG11 H 1 1.020 . . 4 . . . . 31 V HG11 . 16321 1 212 . 1 1 31 31 VAL HG12 H 1 1.020 . . 4 . . . . 31 V HG11 . 16321 1 213 . 1 1 31 31 VAL HG13 H 1 1.020 . . 4 . . . . 31 V HG11 . 16321 1 214 . 1 1 31 31 VAL C C 13 174.011 . . 1 . . . . 31 V C . 16321 1 215 . 1 1 31 31 VAL CA C 13 62.710 . . 1 . . . . 31 V CA . 16321 1 216 . 1 1 31 31 VAL CB C 13 31.838 . . 1 . . . . 31 V CB . 16321 1 217 . 1 1 31 31 VAL CG1 C 13 20.592 . . 2 . . . . 31 V CG1 . 16321 1 218 . 1 1 31 31 VAL N N 15 120.548 . . 1 . . . . 31 V N . 16321 1 219 . 1 1 32 32 LEU H H 1 7.656 . . 1 . . . . 32 L HN . 16321 1 220 . 1 1 32 32 LEU HA H 1 4.334 . . 1 . . . . 32 L HA . 16321 1 221 . 1 1 32 32 LEU HD11 H 1 0.637 . . 4 . . . . 32 L HD11 . 16321 1 222 . 1 1 32 32 LEU HD12 H 1 0.637 . . 4 . . . . 32 L HD11 . 16321 1 223 . 1 1 32 32 LEU HD13 H 1 0.637 . . 4 . . . . 32 L HD11 . 16321 1 224 . 1 1 32 32 LEU HD21 H 1 0.923 . . 4 . . . . 32 L HD21 . 16321 1 225 . 1 1 32 32 LEU HD22 H 1 0.923 . . 4 . . . . 32 L HD21 . 16321 1 226 . 1 1 32 32 LEU HD23 H 1 0.923 . . 4 . . . . 32 L HD21 . 16321 1 227 . 1 1 32 32 LEU C C 13 175.549 . . 1 . . . . 32 L C . 16321 1 228 . 1 1 32 32 LEU CA C 13 54.560 . . 1 . . . . 32 L CA . 16321 1 229 . 1 1 32 32 LEU CB C 13 39.540 . . 1 . . . . 32 L CB . 16321 1 230 . 1 1 32 32 LEU CD1 C 13 25.202 . . 2 . . . . 32 L CD1 . 16321 1 231 . 1 1 32 32 LEU N N 15 114.488 . . 1 . . . . 32 L N . 16321 1 232 . 1 1 33 33 VAL H H 1 7.654 . . 1 . . . . 33 V HN . 16321 1 233 . 1 1 33 33 VAL C C 13 174.559 . . 1 . . . . 33 V C . 16321 1 234 . 1 1 33 33 VAL CA C 13 61.826 . . 1 . . . . 33 V CA . 16321 1 235 . 1 1 33 33 VAL CB C 13 34.873 . . 1 . . . . 33 V CB . 16321 1 236 . 1 1 33 33 VAL CG1 C 13 21.758 . . 2 . . . . 33 V CG1 . 16321 1 237 . 1 1 33 33 VAL N N 15 120.018 . . 1 . . . . 33 V N . 16321 1 238 . 1 1 34 34 TRP H H 1 9.663 . . 1 . . . . 34 W HN . 16321 1 239 . 1 1 34 34 TRP C C 13 175.495 . . 1 . . . . 34 W C . 16321 1 240 . 1 1 34 34 TRP CA C 13 52.669 . . 1 . . . . 34 W CA . 16321 1 241 . 1 1 34 34 TRP CB C 13 33.494 . . 1 . . . . 34 W CB . 16321 1 242 . 1 1 34 34 TRP N N 15 125.372 . . 1 . . . . 34 W N . 16321 1 243 . 1 1 35 35 HIS H H 1 9.076 . . 1 . . . . 35 H HN . 16321 1 244 . 1 1 35 35 HIS HB2 H 1 2.993 . . 2 . . . . 35 H HB1 . 16321 1 245 . 1 1 35 35 HIS C C 13 173.706 . . 1 . . . . 35 H C . 16321 1 246 . 1 1 35 35 HIS CA C 13 54.399 . . 1 . . . . 35 H CA . 16321 1 247 . 1 1 35 35 HIS CB C 13 33.034 . . 1 . . . . 35 H CB . 16321 1 248 . 1 1 35 35 HIS N N 15 118.149 . . 1 . . . . 35 H N . 16321 1 249 . 1 1 36 36 ALA H H 1 8.241 . . 1 . . . . 36 A HN . 16321 1 250 . 1 1 36 36 ALA HB1 H 1 1.317 . . 1 . . . . 36 A HB1 . 16321 1 251 . 1 1 36 36 ALA HB2 H 1 1.317 . . 1 . . . . 36 A HB1 . 16321 1 252 . 1 1 36 36 ALA HB3 H 1 1.317 . . 1 . . . . 36 A HB1 . 16321 1 253 . 1 1 36 36 ALA C C 13 174.123 . . 1 . . . . 36 A C . 16321 1 254 . 1 1 36 36 ALA CA C 13 51.659 . . 1 . . . . 36 A CA . 16321 1 255 . 1 1 36 36 ALA CB C 13 23.549 . . 1 . . . . 36 A CB . 16321 1 256 . 1 1 36 36 ALA N N 15 118.864 . . 1 . . . . 36 A N . 16321 1 257 . 1 1 37 37 LEU H H 1 8.718 . . 1 . . . . 37 L HN . 16321 1 258 . 1 1 37 37 LEU HD11 H 1 0.737 . . 4 . . . . 37 L HD11 . 16321 1 259 . 1 1 37 37 LEU HD12 H 1 0.737 . . 4 . . . . 37 L HD11 . 16321 1 260 . 1 1 37 37 LEU HD13 H 1 0.737 . . 4 . . . . 37 L HD11 . 16321 1 261 . 1 1 37 37 LEU HD21 H 1 1.478 . . 4 . . . . 37 L HD21 . 16321 1 262 . 1 1 37 37 LEU HD22 H 1 1.478 . . 4 . . . . 37 L HD21 . 16321 1 263 . 1 1 37 37 LEU HD23 H 1 1.478 . . 4 . . . . 37 L HD21 . 16321 1 264 . 1 1 37 37 LEU C C 13 174.719 . . 1 . . . . 37 L C . 16321 1 265 . 1 1 37 37 LEU CA C 13 53.832 . . 1 . . . . 37 L CA . 16321 1 266 . 1 1 37 37 LEU CB C 13 45.085 . . 1 . . . . 37 L CB . 16321 1 267 . 1 1 37 37 LEU CD1 C 13 24.879 . . 2 . . . . 37 L CD1 . 16321 1 268 . 1 1 37 37 LEU N N 15 119.331 . . 1 . . . . 37 L N . 16321 1 269 . 1 1 38 38 LEU H H 1 9.512 . . 1 . . . . 38 L HN . 16321 1 270 . 1 1 38 38 LEU HB2 H 1 1.848 . . 2 . . . . 38 L HB2 . 16321 1 271 . 1 1 38 38 LEU HD11 H 1 0.553 . . 4 . . . . 38 L HD11 . 16321 1 272 . 1 1 38 38 LEU HD12 H 1 0.553 . . 4 . . . . 38 L HD11 . 16321 1 273 . 1 1 38 38 LEU HD13 H 1 0.553 . . 4 . . . . 38 L HD11 . 16321 1 274 . 1 1 38 38 LEU C C 13 176.536 . . 1 . . . . 38 L C . 16321 1 275 . 1 1 38 38 LEU CA C 13 53.767 . . 1 . . . . 38 L CA . 16321 1 276 . 1 1 38 38 LEU CB C 13 45.118 . . 1 . . . . 38 L CB . 16321 1 277 . 1 1 38 38 LEU CD1 C 13 27.396 . . 2 . . . . 38 L CD1 . 16321 1 278 . 1 1 38 38 LEU N N 15 125.138 . . 1 . . . . 38 L N . 16321 1 279 . 1 1 39 39 LEU H H 1 9.405 . . 1 . . . . 39 L HN . 16321 1 280 . 1 1 39 39 LEU CA C 13 53.885 . . 1 . . . . 39 L CA . 16321 1 281 . 1 1 39 39 LEU N N 15 130.234 . . 1 . . . . 39 L N . 16321 1 282 . 1 1 40 40 PRO C C 13 176.379 . . 1 . . . . 40 P C . 16321 1 283 . 1 1 40 40 PRO CA C 13 63.217 . . 1 . . . . 40 P CA . 16321 1 284 . 1 1 40 40 PRO CB C 13 33.430 . . 1 . . . . 40 P CB . 16321 1 285 . 1 1 41 41 ASP H H 1 9.023 . . 1 . . . . 41 D HN . 16321 1 286 . 1 1 41 41 ASP HA H 1 5.155 . . 1 . . . . 41 D HA . 16321 1 287 . 1 1 41 41 ASP HB2 H 1 2.718 . . 2 . . . . 41 D HB1 . 16321 1 288 . 1 1 41 41 ASP HB3 H 1 2.869 . . 2 . . . . 41 D HB2 . 16321 1 289 . 1 1 41 41 ASP C C 13 176.154 . . 1 . . . . 41 D C . 16321 1 290 . 1 1 41 41 ASP CA C 13 53.973 . . 1 . . . . 41 D CA . 16321 1 291 . 1 1 41 41 ASP CB C 13 43.363 . . 1 . . . . 41 D CB . 16321 1 292 . 1 1 41 41 ASP N N 15 120.417 . . 1 . . . . 41 D N . 16321 1 293 . 1 1 42 42 GLN H H 1 7.683 . . 1 . . . . 42 Q HN . 16321 1 294 . 1 1 42 42 GLN CA C 13 52.444 . . 1 . . . . 42 Q CA . 16321 1 295 . 1 1 42 42 GLN CB C 13 30.387 . . 1 . . . . 42 Q CB . 16321 1 296 . 1 1 42 42 GLN N N 15 120.276 . . 1 . . . . 42 Q N . 16321 1 297 . 1 1 44 44 PRO C C 13 174.771 . . 1 . . . . 44 P C . 16321 1 298 . 1 1 44 44 PRO CA C 13 64.389 . . 1 . . . . 44 P CA . 16321 1 299 . 1 1 44 44 PRO CB C 13 33.900 . . 1 . . . . 44 P CB . 16321 1 300 . 1 1 45 45 TYR H H 1 7.812 . . 1 . . . . 45 Y HN . 16321 1 301 . 1 1 45 45 TYR HB2 H 1 2.894 . . 2 . . . . 45 Y HB1 . 16321 1 302 . 1 1 45 45 TYR HB3 H 1 3.373 . . 2 . . . . 45 Y HB2 . 16321 1 303 . 1 1 45 45 TYR C C 13 174.822 . . 1 . . . . 45 Y C . 16321 1 304 . 1 1 45 45 TYR CA C 13 59.808 . . 1 . . . . 45 Y CA . 16321 1 305 . 1 1 45 45 TYR CB C 13 38.217 . . 1 . . . . 45 Y CB . 16321 1 306 . 1 1 45 45 TYR N N 15 123.010 . . 1 . . . . 45 Y N . 16321 1 307 . 1 1 46 46 HIS H H 1 8.278 . . 1 . . . . 46 H HN . 16321 1 308 . 1 1 46 46 HIS HB2 H 1 3.682 . . 2 . . . . 46 H HB1 . 16321 1 309 . 1 1 46 46 HIS C C 13 175.556 . . 1 . . . . 46 H C . 16321 1 310 . 1 1 46 46 HIS CA C 13 56.843 . . 1 . . . . 46 H CA . 16321 1 311 . 1 1 46 46 HIS CB C 13 30.299 . . 1 . . . . 46 H CB . 16321 1 312 . 1 1 46 46 HIS N N 15 114.221 . . 1 . . . . 46 H N . 16321 1 313 . 1 1 47 47 LEU H H 1 7.306 . . 1 . . . . 47 L HN . 16321 1 314 . 1 1 47 47 LEU HG H 1 1.367 . . 1 . . . . 47 L HG . 16321 1 315 . 1 1 47 47 LEU C C 13 178.426 . . 1 . . . . 47 L C . 16321 1 316 . 1 1 47 47 LEU CA C 13 56.130 . . 1 . . . . 47 L CA . 16321 1 317 . 1 1 47 47 LEU CB C 13 43.600 . . 1 . . . . 47 L CB . 16321 1 318 . 1 1 47 47 LEU CG C 13 25.452 . . 1 . . . . 47 L CG . 16321 1 319 . 1 1 47 47 LEU N N 15 119.228 . . 1 . . . . 47 L N . 16321 1 320 . 1 1 48 48 LYS H H 1 7.610 . . 1 . . . . 48 K HN . 16321 1 321 . 1 1 48 48 LYS HD2 H 1 0.828 . . 2 . . . . 48 K HD1 . 16321 1 322 . 1 1 48 48 LYS HG2 H 1 1.466 . . 2 . . . . 48 K HG1 . 16321 1 323 . 1 1 48 48 LYS C C 13 171.987 . . 1 . . . . 48 K C . 16321 1 324 . 1 1 48 48 LYS CA C 13 53.031 . . 1 . . . . 48 K CA . 16321 1 325 . 1 1 48 48 LYS CB C 13 37.156 . . 1 . . . . 48 K CB . 16321 1 326 . 1 1 48 48 LYS N N 15 115.857 . . 1 . . . . 48 K N . 16321 1 327 . 1 1 49 49 ALA H H 1 9.106 . . 1 . . . . 49 A HN . 16321 1 328 . 1 1 49 49 ALA HB1 H 1 1.209 . . 1 . . . . 49 A HB1 . 16321 1 329 . 1 1 49 49 ALA HB2 H 1 1.209 . . 1 . . . . 49 A HB1 . 16321 1 330 . 1 1 49 49 ALA HB3 H 1 1.209 . . 1 . . . . 49 A HB1 . 16321 1 331 . 1 1 49 49 ALA C C 13 174.804 . . 1 . . . . 49 A C . 16321 1 332 . 1 1 49 49 ALA CA C 13 49.926 . . 1 . . . . 49 A CA . 16321 1 333 . 1 1 49 49 ALA CB C 13 23.545 . . 1 . . . . 49 A CB . 16321 1 334 . 1 1 49 49 ALA N N 15 121.160 . . 1 . . . . 49 A N . 16321 1 335 . 1 1 50 50 PHE H H 1 8.544 . . 1 . . . . 50 F HN . 16321 1 336 . 1 1 50 50 PHE HB2 H 1 2.881 . . 2 . . . . 50 F HB1 . 16321 1 337 . 1 1 50 50 PHE HB3 H 1 3.176 . . 2 . . . . 50 F HB2 . 16321 1 338 . 1 1 50 50 PHE C C 13 174.544 . . 1 . . . . 50 F C . 16321 1 339 . 1 1 50 50 PHE CA C 13 57.529 . . 1 . . . . 50 F CA . 16321 1 340 . 1 1 50 50 PHE CB C 13 44.048 . . 1 . . . . 50 F CB . 16321 1 341 . 1 1 50 50 PHE N N 15 114.451 . . 1 . . . . 50 F N . 16321 1 342 . 1 1 51 51 ASN H H 1 9.529 . . 1 . . . . 51 N HN . 16321 1 343 . 1 1 51 51 ASN HA H 1 5.246 . . 1 . . . . 51 N HA . 16321 1 344 . 1 1 51 51 ASN HB2 H 1 2.745 . . 2 . . . . 51 N HB1 . 16321 1 345 . 1 1 51 51 ASN C C 13 174.647 . . 1 . . . . 51 N C . 16321 1 346 . 1 1 51 51 ASN CA C 13 54.883 . . 1 . . . . 51 N CA . 16321 1 347 . 1 1 51 51 ASN CB C 13 40.257 . . 1 . . . . 51 N CB . 16321 1 348 . 1 1 51 51 ASN N N 15 122.966 . . 1 . . . . 51 N N . 16321 1 349 . 1 1 52 52 LEU H H 1 9.280 . . 1 . . . . 52 L HN . 16321 1 350 . 1 1 52 52 LEU HA H 1 5.029 . . 1 . . . . 52 L HA . 16321 1 351 . 1 1 52 52 LEU HB2 H 1 1.030 . . 2 . . . . 52 L HB1 . 16321 1 352 . 1 1 52 52 LEU HD11 H 1 0.087 . . 4 . . . . 52 L HD11 . 16321 1 353 . 1 1 52 52 LEU HD12 H 1 0.087 . . 4 . . . . 52 L HD11 . 16321 1 354 . 1 1 52 52 LEU HD13 H 1 0.087 . . 4 . . . . 52 L HD11 . 16321 1 355 . 1 1 52 52 LEU C C 13 175.657 . . 1 . . . . 52 L C . 16321 1 356 . 1 1 52 52 LEU CA C 13 53.479 . . 1 . . . . 52 L CA . 16321 1 357 . 1 1 52 52 LEU CB C 13 46.556 . . 1 . . . . 52 L CB . 16321 1 358 . 1 1 52 52 LEU CD1 C 13 24.306 . . 2 . . . . 52 L CD1 . 16321 1 359 . 1 1 52 52 LEU CG C 13 25.879 . . 1 . . . . 52 L CG . 16321 1 360 . 1 1 52 52 LEU N N 15 121.904 . . 1 . . . . 52 L N . 16321 1 361 . 1 1 53 53 ARG H H 1 9.008 . . 1 . . . . 53 R HN . 16321 1 362 . 1 1 53 53 ARG HD2 H 1 3.073 . . 2 . . . . 53 R HD2 . 16321 1 363 . 1 1 53 53 ARG C C 13 174.929 . . 1 . . . . 53 R C . 16321 1 364 . 1 1 53 53 ARG CA C 13 55.018 . . 1 . . . . 53 R CA . 16321 1 365 . 1 1 53 53 ARG CB C 13 33.980 . . 1 . . . . 53 R CB . 16321 1 366 . 1 1 53 53 ARG N N 15 122.756 . . 1 . . . . 53 R N . 16321 1 367 . 1 1 54 54 ILE H H 1 9.080 . . 1 . . . . 54 I HN . 16321 1 368 . 1 1 54 54 ILE HG12 H 1 1.392 . . 9 . . . . 54 I HG11 . 16321 1 369 . 1 1 54 54 ILE HG21 H 1 -0.089 . . 4 . . . . 54 I HG21 . 16321 1 370 . 1 1 54 54 ILE HG22 H 1 -0.089 . . 4 . . . . 54 I HG21 . 16321 1 371 . 1 1 54 54 ILE HG23 H 1 -0.089 . . 4 . . . . 54 I HG21 . 16321 1 372 . 1 1 54 54 ILE C C 13 173.329 . . 1 . . . . 54 I C . 16321 1 373 . 1 1 54 54 ILE CA C 13 60.101 . . 1 . . . . 54 I CA . 16321 1 374 . 1 1 54 54 ILE CB C 13 40.159 . . 1 . . . . 54 I CB . 16321 1 375 . 1 1 54 54 ILE CD1 C 13 14.921 . . 1 . . . . 54 I CD1 . 16321 1 376 . 1 1 54 54 ILE CG1 C 13 27.911 . . 1 . . . . 54 I CG1 . 16321 1 377 . 1 1 54 54 ILE CG2 C 13 17.620 . . 1 . . . . 54 I CG2 . 16321 1 378 . 1 1 54 54 ILE N N 15 129.706 . . 1 . . . . 54 I N . 16321 1 379 . 1 1 55 55 SER H H 1 8.852 . . 1 . . . . 55 S HN . 16321 1 380 . 1 1 55 55 SER HB2 H 1 3.565 . . 2 . . . . 55 S HB1 . 16321 1 381 . 1 1 55 55 SER C C 13 172.862 . . 1 . . . . 55 S C . 16321 1 382 . 1 1 55 55 SER CA C 13 55.777 . . 1 . . . . 55 S CA . 16321 1 383 . 1 1 55 55 SER CB C 13 64.868 . . 1 . . . . 55 S CB . 16321 1 384 . 1 1 55 55 SER N N 15 119.778 . . 1 . . . . 55 S N . 16321 1 385 . 1 1 56 56 PHE H H 1 8.924 . . 1 . . . . 56 F HN . 16321 1 386 . 1 1 56 56 PHE CA C 13 55.490 . . 1 . . . . 56 F CA . 16321 1 387 . 1 1 56 56 PHE CB C 13 39.520 . . 1 . . . . 56 F CB . 16321 1 388 . 1 1 56 56 PHE N N 15 124.903 . . 1 . . . . 56 F N . 16321 1 389 . 1 1 58 58 PRO HB2 H 1 2.169 . . 2 . . . . 58 P HB1 . 16321 1 390 . 1 1 58 58 PRO C C 13 177.616 . . 1 . . . . 58 P C . 16321 1 391 . 1 1 58 58 PRO CA C 13 65.012 . . 1 . . . . 58 P CA . 16321 1 392 . 1 1 58 58 PRO CB C 13 31.588 . . 1 . . . . 58 P CB . 16321 1 393 . 1 1 59 59 GLU H H 1 8.478 . . 1 . . . . 59 E HN . 16321 1 394 . 1 1 59 59 GLU HA H 1 4.361 . . 1 . . . . 59 E HA . 16321 1 395 . 1 1 59 59 GLU C C 13 176.831 . . 1 . . . . 59 E C . 16321 1 396 . 1 1 59 59 GLU CA C 13 57.112 . . 1 . . . . 59 E CA . 16321 1 397 . 1 1 59 59 GLU CB C 13 29.446 . . 1 . . . . 59 E CB . 16321 1 398 . 1 1 59 59 GLU N N 15 112.148 . . 1 . . . . 59 E N . 16321 1 399 . 1 1 60 60 TYR H H 1 8.231 . . 1 . . . . 60 Y HN . 16321 1 400 . 1 1 60 60 TYR CA C 13 58.057 . . 1 . . . . 60 Y CA . 16321 1 401 . 1 1 60 60 TYR CB C 13 39.461 . . 1 . . . . 60 Y CB . 16321 1 402 . 1 1 60 60 TYR N N 15 123.770 . . 1 . . . . 60 Y N . 16321 1 403 . 1 1 61 61 PRO C C 13 175.039 . . 1 . . . . 61 P C . 16321 1 404 . 1 1 61 61 PRO CA C 13 63.786 . . 1 . . . . 61 P CA . 16321 1 405 . 1 1 61 61 PRO CB C 13 33.074 . . 1 . . . . 61 P CB . 16321 1 406 . 1 1 62 62 PHE H H 1 9.349 . . 1 . . . . 62 F HN . 16321 1 407 . 1 1 62 62 PHE HB2 H 1 3.119 . . 2 . . . . 62 F HB1 . 16321 1 408 . 1 1 62 62 PHE HB3 H 1 3.387 . . 2 . . . . 62 F HB2 . 16321 1 409 . 1 1 62 62 PHE C C 13 175.710 . . 1 . . . . 62 F C . 16321 1 410 . 1 1 62 62 PHE CA C 13 60.739 . . 1 . . . . 62 F CA . 16321 1 411 . 1 1 62 62 PHE CB C 13 38.054 . . 1 . . . . 62 F CB . 16321 1 412 . 1 1 62 62 PHE N N 15 125.952 . . 1 . . . . 62 F N . 16321 1 413 . 1 1 63 63 LYS H H 1 7.055 . . 1 . . . . 63 K HN . 16321 1 414 . 1 1 63 63 LYS CA C 13 52.935 . . 1 . . . . 63 K CA . 16321 1 415 . 1 1 63 63 LYS CB C 13 35.896 . . 1 . . . . 63 K CB . 16321 1 416 . 1 1 63 63 LYS N N 15 117.679 . . 1 . . . . 63 K N . 16321 1 417 . 1 1 65 65 PRO HA H 1 4.230 . . 1 . . . . 65 P HA . 16321 1 418 . 1 1 65 65 PRO C C 13 174.298 . . 1 . . . . 65 P C . 16321 1 419 . 1 1 65 65 PRO CA C 13 61.621 . . 1 . . . . 65 P CA . 16321 1 420 . 1 1 65 65 PRO CB C 13 31.843 . . 1 . . . . 65 P CB . 16321 1 421 . 1 1 66 66 MET H H 1 8.325 . . 1 . . . . 66 M HN . 16321 1 422 . 1 1 66 66 MET HA H 1 4.475 . . 1 . . . . 66 M HA . 16321 1 423 . 1 1 66 66 MET HB2 H 1 2.343 . . 2 . . . . 66 M HB1 . 16321 1 424 . 1 1 66 66 MET C C 13 174.788 . . 1 . . . . 66 M C . 16321 1 425 . 1 1 66 66 MET CA C 13 54.182 . . 1 . . . . 66 M CA . 16321 1 426 . 1 1 66 66 MET CB C 13 34.803 . . 1 . . . . 66 M CB . 16321 1 427 . 1 1 66 66 MET N N 15 117.327 . . 1 . . . . 66 M N . 16321 1 428 . 1 1 67 67 ILE H H 1 8.316 . . 1 . . . . 67 I HN . 16321 1 429 . 1 1 67 67 ILE HA H 1 4.699 . . 1 . . . . 67 I HA . 16321 1 430 . 1 1 67 67 ILE HG12 H 1 1.202 . . 9 . . . . 67 I HG12 . 16321 1 431 . 1 1 67 67 ILE HG21 H 1 0.464 . . 4 . . . . 67 I HG21 . 16321 1 432 . 1 1 67 67 ILE HG22 H 1 0.464 . . 4 . . . . 67 I HG21 . 16321 1 433 . 1 1 67 67 ILE HG23 H 1 0.464 . . 4 . . . . 67 I HG21 . 16321 1 434 . 1 1 67 67 ILE C C 13 173.257 . . 1 . . . . 67 I C . 16321 1 435 . 1 1 67 67 ILE CA C 13 59.865 . . 1 . . . . 67 I CA . 16321 1 436 . 1 1 67 67 ILE CB C 13 40.573 . . 1 . . . . 67 I CB . 16321 1 437 . 1 1 67 67 ILE CD1 C 13 13.913 . . 1 . . . . 67 I CD1 . 16321 1 438 . 1 1 67 67 ILE CG1 C 13 27.488 . . 1 . . . . 67 I CG1 . 16321 1 439 . 1 1 67 67 ILE CG2 C 13 17.178 . . 1 . . . . 67 I CG2 . 16321 1 440 . 1 1 67 67 ILE N N 15 123.247 . . 1 . . . . 67 I N . 16321 1 441 . 1 1 68 68 LYS H H 1 8.439 . . 1 . . . . 68 K HN . 16321 1 442 . 1 1 68 68 LYS HB2 H 1 1.570 . . 2 . . . . 68 K HB1 . 16321 1 443 . 1 1 68 68 LYS HG2 H 1 1.271 . . 2 . . . . 68 K HG1 . 16321 1 444 . 1 1 68 68 LYS C C 13 175.759 . . 1 . . . . 68 K C . 16321 1 445 . 1 1 68 68 LYS CA C 13 54.387 . . 1 . . . . 68 K CA . 16321 1 446 . 1 1 68 68 LYS CB C 13 36.793 . . 1 . . . . 68 K CB . 16321 1 447 . 1 1 68 68 LYS N N 15 123.834 . . 1 . . . . 68 K N . 16321 1 448 . 1 1 69 69 PHE H H 1 9.576 . . 1 . . . . 69 F HN . 16321 1 449 . 1 1 69 69 PHE HB2 H 1 2.974 . . 2 . . . . 69 F HB1 . 16321 1 450 . 1 1 69 69 PHE HB3 H 1 3.586 . . 2 . . . . 69 F HB2 . 16321 1 451 . 1 1 69 69 PHE C C 13 177.410 . . 1 . . . . 69 F C . 16321 1 452 . 1 1 69 69 PHE CA C 13 59.213 . . 1 . . . . 69 F CA . 16321 1 453 . 1 1 69 69 PHE CB C 13 39.957 . . 1 . . . . 69 F CB . 16321 1 454 . 1 1 69 69 PHE N N 15 122.830 . . 1 . . . . 69 F N . 16321 1 455 . 1 1 70 70 THR H H 1 8.932 . . 1 . . . . 70 T HN . 16321 1 456 . 1 1 70 70 THR HA H 1 4.481 . . 1 . . . . 70 T HA . 16321 1 457 . 1 1 70 70 THR HG21 H 1 1.117 . . 1 . . . . 70 T HG21 . 16321 1 458 . 1 1 70 70 THR HG22 H 1 1.117 . . 1 . . . . 70 T HG21 . 16321 1 459 . 1 1 70 70 THR HG23 H 1 1.117 . . 1 . . . . 70 T HG21 . 16321 1 460 . 1 1 70 70 THR C C 13 175.453 . . 1 . . . . 70 T C . 16321 1 461 . 1 1 70 70 THR CA C 13 61.980 . . 1 . . . . 70 T CA . 16321 1 462 . 1 1 70 70 THR CB C 13 67.365 . . 1 . . . . 70 T CB . 16321 1 463 . 1 1 70 70 THR N N 15 114.574 . . 1 . . . . 70 T N . 16321 1 464 . 1 1 71 71 THR H H 1 7.494 . . 1 . . . . 71 T HN . 16321 1 465 . 1 1 71 71 THR HB H 1 3.757 . . 1 . . . . 71 T HB . 16321 1 466 . 1 1 71 71 THR C C 13 173.984 . . 1 . . . . 71 T C . 16321 1 467 . 1 1 71 71 THR CA C 13 62.088 . . 1 . . . . 71 T CA . 16321 1 468 . 1 1 71 71 THR CB C 13 71.269 . . 1 . . . . 71 T CB . 16321 1 469 . 1 1 71 71 THR N N 15 121.982 . . 1 . . . . 71 T N . 16321 1 470 . 1 1 72 72 LYS H H 1 8.853 . . 1 . . . . 72 K HN . 16321 1 471 . 1 1 72 72 LYS HA H 1 4.222 . . 1 . . . . 72 K HA . 16321 1 472 . 1 1 72 72 LYS HG2 H 1 1.335 . . 2 . . . . 72 K HG1 . 16321 1 473 . 1 1 72 72 LYS C C 13 174.993 . . 1 . . . . 72 K C . 16321 1 474 . 1 1 72 72 LYS CA C 13 58.020 . . 1 . . . . 72 K CA . 16321 1 475 . 1 1 72 72 LYS CB C 13 33.097 . . 1 . . . . 72 K CB . 16321 1 476 . 1 1 72 72 LYS N N 15 126.631 . . 1 . . . . 72 K N . 16321 1 477 . 1 1 73 73 ILE H H 1 7.975 . . 1 . . . . 73 I HN . 16321 1 478 . 1 1 73 73 ILE C C 13 171.675 . . 1 . . . . 73 I C . 16321 1 479 . 1 1 73 73 ILE CA C 13 59.501 . . 1 . . . . 73 I CA . 16321 1 480 . 1 1 73 73 ILE CB C 13 41.168 . . 1 . . . . 73 I CB . 16321 1 481 . 1 1 73 73 ILE N N 15 119.643 . . 1 . . . . 73 I N . 16321 1 482 . 1 1 74 74 TYR H H 1 8.634 . . 1 . . . . 74 Y HN . 16321 1 483 . 1 1 74 74 TYR HB2 H 1 3.140 . . 2 . . . . 74 Y HB2 . 16321 1 484 . 1 1 74 74 TYR C C 13 172.534 . . 1 . . . . 74 Y C . 16321 1 485 . 1 1 74 74 TYR CA C 13 57.135 . . 1 . . . . 74 Y CA . 16321 1 486 . 1 1 74 74 TYR CB C 13 37.969 . . 1 . . . . 74 Y CB . 16321 1 487 . 1 1 74 74 TYR N N 15 132.209 . . 1 . . . . 74 Y N . 16321 1 488 . 1 1 75 75 HIS H H 1 8.947 . . 1 . . . . 75 H HN . 16321 1 489 . 1 1 75 75 HIS CA C 13 55.224 . . 1 . . . . 75 H CA . 16321 1 490 . 1 1 75 75 HIS CB C 13 36.270 . . 1 . . . . 75 H CB . 16321 1 491 . 1 1 75 75 HIS N N 15 129.199 . . 1 . . . . 75 H N . 16321 1 492 . 1 1 76 76 PRO HA H 1 4.317 . . 1 . . . . 76 P HA . 16321 1 493 . 1 1 76 76 PRO HG2 H 1 1.578 . . 2 . . . . 76 P HG1 . 16321 1 494 . 1 1 76 76 PRO C C 13 176.948 . . 1 . . . . 76 P C . 16321 1 495 . 1 1 76 76 PRO CA C 13 64.660 . . 1 . . . . 76 P CA . 16321 1 496 . 1 1 76 76 PRO CB C 13 32.231 . . 1 . . . . 76 P CB . 16321 1 497 . 1 1 77 77 ASN H H 1 11.483 . . 1 . . . . 77 N HN . 16321 1 498 . 1 1 77 77 ASN HB2 H 1 2.415 . . 2 . . . . 77 N HB1 . 16321 1 499 . 1 1 77 77 ASN HB3 H 1 3.389 . . 2 . . . . 77 N HB2 . 16321 1 500 . 1 1 77 77 ASN C C 13 170.889 . . 1 . . . . 77 N C . 16321 1 501 . 1 1 77 77 ASN CA C 13 54.688 . . 1 . . . . 77 N CA . 16321 1 502 . 1 1 77 77 ASN CB C 13 40.756 . . 1 . . . . 77 N CB . 16321 1 503 . 1 1 77 77 ASN N N 15 118.947 . . 1 . . . . 77 N N . 16321 1 504 . 1 1 78 78 VAL H H 1 7.498 . . 1 . . . . 78 V HN . 16321 1 505 . 1 1 78 78 VAL HA H 1 3.560 . . 1 . . . . 78 V HA . 16321 1 506 . 1 1 78 78 VAL C C 13 175.930 . . 1 . . . . 78 V C . 16321 1 507 . 1 1 78 78 VAL CA C 13 60.590 . . 1 . . . . 78 V CA . 16321 1 508 . 1 1 78 78 VAL CB C 13 35.341 . . 1 . . . . 78 V CB . 16321 1 509 . 1 1 78 78 VAL CG1 C 13 20.402 . . 2 . . . . 78 V CG1 . 16321 1 510 . 1 1 78 78 VAL N N 15 119.348 . . 1 . . . . 78 V N . 16321 1 511 . 1 1 79 79 ASP H H 1 8.917 . . 1 . . . . 79 D HN . 16321 1 512 . 1 1 79 79 ASP HB2 H 1 2.594 . . 2 . . . . 79 D HB1 . 16321 1 513 . 1 1 79 79 ASP C C 13 177.944 . . 1 . . . . 79 D C . 16321 1 514 . 1 1 79 79 ASP CA C 13 53.058 . . 1 . . . . 79 D CA . 16321 1 515 . 1 1 79 79 ASP CB C 13 41.280 . . 1 . . . . 79 D CB . 16321 1 516 . 1 1 79 79 ASP N N 15 125.634 . . 1 . . . . 79 D N . 16321 1 517 . 1 1 80 80 GLU H H 1 9.251 . . 1 . . . . 80 E HN . 16321 1 518 . 1 1 80 80 GLU HA H 1 4.115 . . 1 . . . . 80 E HA . 16321 1 519 . 1 1 80 80 GLU HB2 H 1 2.206 . . 2 . . . . 80 E HB1 . 16321 1 520 . 1 1 80 80 GLU C C 13 176.578 . . 1 . . . . 80 E C . 16321 1 521 . 1 1 80 80 GLU CA C 13 59.347 . . 1 . . . . 80 E CA . 16321 1 522 . 1 1 80 80 GLU CB C 13 29.804 . . 1 . . . . 80 E CB . 16321 1 523 . 1 1 80 80 GLU N N 15 117.232 . . 1 . . . . 80 E N . 16321 1 524 . 1 1 81 81 ASN H H 1 8.395 . . 1 . . . . 81 N HN . 16321 1 525 . 1 1 81 81 ASN HA H 1 4.884 . . 1 . . . . 81 N HA . 16321 1 526 . 1 1 81 81 ASN HB2 H 1 2.908 . . 2 . . . . 81 N HB1 . 16321 1 527 . 1 1 81 81 ASN HD21 H 1 7.825 . . 2 . . . . 81 N HD21 . 16321 1 528 . 1 1 81 81 ASN HD22 H 1 6.988 . . 2 . . . . 81 N HD22 . 16321 1 529 . 1 1 81 81 ASN C C 13 175.380 . . 1 . . . . 81 N C . 16321 1 530 . 1 1 81 81 ASN CA C 13 52.992 . . 1 . . . . 81 N CA . 16321 1 531 . 1 1 81 81 ASN CB C 13 39.648 . . 1 . . . . 81 N CB . 16321 1 532 . 1 1 81 81 ASN N N 15 116.375 . . 1 . . . . 81 N N . 16321 1 533 . 1 1 81 81 ASN ND2 N 15 114.650 . . 1 . . . . 81 N ND2 . 16321 1 534 . 1 1 82 82 GLY H H 1 8.141 . . 1 . . . . 82 G HN . 16321 1 535 . 1 1 82 82 GLY HA2 H 1 3.636 . . 2 . . . . 82 G HA1 . 16321 1 536 . 1 1 82 82 GLY HA3 H 1 4.791 . . 2 . . . . 82 G HA2 . 16321 1 537 . 1 1 82 82 GLY C C 13 174.357 . . 1 . . . . 82 G C . 16321 1 538 . 1 1 82 82 GLY CA C 13 46.402 . . 1 . . . . 82 G CA . 16321 1 539 . 1 1 82 82 GLY N N 15 108.824 . . 1 . . . . 82 G N . 16321 1 540 . 1 1 83 83 GLN H H 1 8.413 . . 1 . . . . 83 Q HN . 16321 1 541 . 1 1 83 83 GLN HA H 1 4.498 . . 1 . . . . 83 Q HA . 16321 1 542 . 1 1 83 83 GLN HE21 H 1 7.599 . . 2 . . . . 83 Q HE21 . 16321 1 543 . 1 1 83 83 GLN HE22 H 1 6.898 . . 2 . . . . 83 Q HE22 . 16321 1 544 . 1 1 83 83 GLN HG2 H 1 2.432 . . 2 . . . . 83 Q HG1 . 16321 1 545 . 1 1 83 83 GLN C C 13 174.582 . . 1 . . . . 83 Q C . 16321 1 546 . 1 1 83 83 GLN CA C 13 55.808 . . 1 . . . . 83 Q CA . 16321 1 547 . 1 1 83 83 GLN CB C 13 28.917 . . 1 . . . . 83 Q CB . 16321 1 548 . 1 1 83 83 GLN CG C 13 33.139 . . 1 . . . . 83 Q CG . 16321 1 549 . 1 1 83 83 GLN N N 15 119.859 . . 1 . . . . 83 Q N . 16321 1 550 . 1 1 83 83 GLN NE2 N 15 113.983 . . 1 . . . . 83 Q NE2 . 16321 1 551 . 1 1 84 84 ILE H H 1 8.433 . . 1 . . . . 84 I HN . 16321 1 552 . 1 1 84 84 ILE HB H 1 1.600 . . 1 . . . . 84 I HB . 16321 1 553 . 1 1 84 84 ILE HG21 H 1 0.895 . . 4 . . . . 84 I HG21 . 16321 1 554 . 1 1 84 84 ILE HG22 H 1 0.895 . . 4 . . . . 84 I HG21 . 16321 1 555 . 1 1 84 84 ILE HG23 H 1 0.895 . . 4 . . . . 84 I HG21 . 16321 1 556 . 1 1 84 84 ILE C C 13 175.349 . . 1 . . . . 84 I C . 16321 1 557 . 1 1 84 84 ILE CA C 13 59.455 . . 1 . . . . 84 I CA . 16321 1 558 . 1 1 84 84 ILE CB C 13 42.546 . . 1 . . . . 84 I CB . 16321 1 559 . 1 1 84 84 ILE CD1 C 13 15.165 . . 1 . . . . 84 I CD1 . 16321 1 560 . 1 1 84 84 ILE CG1 C 13 26.793 . . 1 . . . . 84 I CG1 . 16321 1 561 . 1 1 84 84 ILE CG2 C 13 18.002 . . 1 . . . . 84 I CG2 . 16321 1 562 . 1 1 84 84 ILE N N 15 116.337 . . 1 . . . . 84 I N . 16321 1 563 . 1 1 85 85 CYS H H 1 8.612 . . 1 . . . . 85 C HN . 16321 1 564 . 1 1 85 85 CYS HB2 H 1 2.769 . . 2 . . . . 85 C HB2 . 16321 1 565 . 1 1 85 85 CYS C C 13 172.522 . . 1 . . . . 85 C C . 16321 1 566 . 1 1 85 85 CYS CA C 13 57.647 . . 1 . . . . 85 C CA . 16321 1 567 . 1 1 85 85 CYS CB C 13 27.025 . . 1 . . . . 85 C CB . 16321 1 568 . 1 1 85 85 CYS N N 15 125.657 . . 1 . . . . 85 C N . 16321 1 569 . 1 1 86 86 LEU H H 1 7.801 . . 1 . . . . 86 L HN . 16321 1 570 . 1 1 86 86 LEU CA C 13 51.336 . . 1 . . . . 86 L CA . 16321 1 571 . 1 1 86 86 LEU CB C 13 44.838 . . 1 . . . . 86 L CB . 16321 1 572 . 1 1 86 86 LEU N N 15 126.780 . . 1 . . . . 86 L N . 16321 1 573 . 1 1 87 87 PRO C C 13 179.201 . . 1 . . . . 87 P C . 16321 1 574 . 1 1 87 87 PRO CA C 13 66.514 . . 1 . . . . 87 P CA . 16321 1 575 . 1 1 87 87 PRO CB C 13 31.611 . . 1 . . . . 87 P CB . 16321 1 576 . 1 1 88 88 ILE H H 1 8.053 . . 1 . . . . 88 I HN . 16321 1 577 . 1 1 88 88 ILE HA H 1 4.212 . . 1 . . . . 88 I HA . 16321 1 578 . 1 1 88 88 ILE HG12 H 1 1.045 . . 9 . . . . 88 I HG12 . 16321 1 579 . 1 1 88 88 ILE C C 13 174.631 . . 1 . . . . 88 I C . 16321 1 580 . 1 1 88 88 ILE CA C 13 64.303 . . 1 . . . . 88 I CA . 16321 1 581 . 1 1 88 88 ILE CB C 13 38.090 . . 1 . . . . 88 I CB . 16321 1 582 . 1 1 88 88 ILE CD1 C 13 14.028 . . 1 . . . . 88 I CD1 . 16321 1 583 . 1 1 88 88 ILE N N 15 115.417 . . 1 . . . . 88 I N . 16321 1 584 . 1 1 89 89 ILE H H 1 7.340 . . 1 . . . . 89 I HN . 16321 1 585 . 1 1 89 89 ILE HG21 H 1 0.934 . . 4 . . . . 89 I HG21 . 16321 1 586 . 1 1 89 89 ILE HG22 H 1 0.934 . . 4 . . . . 89 I HG21 . 16321 1 587 . 1 1 89 89 ILE HG23 H 1 0.934 . . 4 . . . . 89 I HG21 . 16321 1 588 . 1 1 89 89 ILE C C 13 175.187 . . 1 . . . . 89 I C . 16321 1 589 . 1 1 89 89 ILE CA C 13 60.521 . . 1 . . . . 89 I CA . 16321 1 590 . 1 1 89 89 ILE CB C 13 37.416 . . 1 . . . . 89 I CB . 16321 1 591 . 1 1 89 89 ILE CG2 C 13 20.674 . . 1 . . . . 89 I CG2 . 16321 1 592 . 1 1 89 89 ILE N N 15 108.236 . . 1 . . . . 89 I N . 16321 1 593 . 1 1 90 90 SER H H 1 7.884 . . 1 . . . . 90 S HN . 16321 1 594 . 1 1 90 90 SER C C 13 176.779 . . 1 . . . . 90 S C . 16321 1 595 . 1 1 90 90 SER CA C 13 58.283 . . 1 . . . . 90 S CA . 16321 1 596 . 1 1 90 90 SER CB C 13 64.260 . . 1 . . . . 90 S CB . 16321 1 597 . 1 1 90 90 SER N N 15 118.491 . . 1 . . . . 90 S N . 16321 1 598 . 1 1 91 91 SER H H 1 10.075 . . 1 . . . . 91 S HN . 16321 1 599 . 1 1 91 91 SER HB2 H 1 4.015 . . 2 . . . . 91 S HB1 . 16321 1 600 . 1 1 91 91 SER C C 13 177.169 . . 1 . . . . 91 S C . 16321 1 601 . 1 1 91 91 SER CA C 13 61.454 . . 1 . . . . 91 S CA . 16321 1 602 . 1 1 91 91 SER N N 15 118.314 . . 1 . . . . 91 S N . 16321 1 603 . 1 1 92 92 GLU H H 1 7.402 . . 1 . . . . 92 E HN . 16321 1 604 . 1 1 92 92 GLU HA H 1 4.200 . . 1 . . . . 92 E HA . 16321 1 605 . 1 1 92 92 GLU HG2 H 1 2.265 . . 2 . . . . 92 E HG1 . 16321 1 606 . 1 1 92 92 GLU C C 13 176.882 . . 1 . . . . 92 E C . 16321 1 607 . 1 1 92 92 GLU CA C 13 58.678 . . 1 . . . . 92 E CA . 16321 1 608 . 1 1 92 92 GLU CB C 13 29.360 . . 1 . . . . 92 E CB . 16321 1 609 . 1 1 92 92 GLU N N 15 122.653 . . 1 . . . . 92 E N . 16321 1 610 . 1 1 93 93 ASN H H 1 7.482 . . 1 . . . . 93 N HN . 16321 1 611 . 1 1 93 93 ASN HA H 1 4.884 . . 1 . . . . 93 N HA . 16321 1 612 . 1 1 93 93 ASN HB2 H 1 2.810 . . 2 . . . . 93 N HB1 . 16321 1 613 . 1 1 93 93 ASN HB3 H 1 2.962 . . 2 . . . . 93 N HB2 . 16321 1 614 . 1 1 93 93 ASN C C 13 176.072 . . 1 . . . . 93 N C . 16321 1 615 . 1 1 93 93 ASN CA C 13 53.051 . . 1 . . . . 93 N CA . 16321 1 616 . 1 1 93 93 ASN CB C 13 40.559 . . 1 . . . . 93 N CB . 16321 1 617 . 1 1 93 93 ASN N N 15 114.709 . . 1 . . . . 93 N N . 16321 1 618 . 1 1 94 94 TRP H H 1 8.129 . . 1 . . . . 94 W HN . 16321 1 619 . 1 1 94 94 TRP HB2 H 1 3.148 . . 2 . . . . 94 W HB2 . 16321 1 620 . 1 1 94 94 TRP C C 13 175.258 . . 1 . . . . 94 W C . 16321 1 621 . 1 1 94 94 TRP CA C 13 58.537 . . 1 . . . . 94 W CA . 16321 1 622 . 1 1 94 94 TRP CB C 13 29.809 . . 1 . . . . 94 W CB . 16321 1 623 . 1 1 94 94 TRP N N 15 122.243 . . 1 . . . . 94 W N . 16321 1 624 . 1 1 95 95 LYS H H 1 6.439 . . 1 . . . . 95 K HN . 16321 1 625 . 1 1 95 95 LYS CA C 13 52.006 . . 1 . . . . 95 K CA . 16321 1 626 . 1 1 95 95 LYS CB C 13 34.504 . . 1 . . . . 95 K CB . 16321 1 627 . 1 1 95 95 LYS N N 15 125.848 . . 1 . . . . 95 K N . 16321 1 628 . 1 1 96 96 PRO HG2 H 1 1.684 . . 2 . . . . 96 P HG1 . 16321 1 629 . 1 1 96 96 PRO C C 13 175.441 . . 1 . . . . 96 P C . 16321 1 630 . 1 1 96 96 PRO CA C 13 64.129 . . 1 . . . . 96 P CA . 16321 1 631 . 1 1 96 96 PRO CB C 13 31.991 . . 1 . . . . 96 P CB . 16321 1 632 . 1 1 97 97 SER H H 1 6.931 . . 1 . . . . 97 S HN . 16321 1 633 . 1 1 97 97 SER HB2 H 1 3.652 . . 2 . . . . 97 S HB1 . 16321 1 634 . 1 1 97 97 SER HB3 H 1 4.009 . . 2 . . . . 97 S HB2 . 16321 1 635 . 1 1 97 97 SER C C 13 175.127 . . 1 . . . . 97 S C . 16321 1 636 . 1 1 97 97 SER CA C 13 57.955 . . 1 . . . . 97 S CA . 16321 1 637 . 1 1 97 97 SER CB C 13 62.920 . . 1 . . . . 97 S CB . 16321 1 638 . 1 1 97 97 SER N N 15 107.450 . . 1 . . . . 97 S N . 16321 1 639 . 1 1 98 98 THR H H 1 7.574 . . 1 . . . . 98 T HN . 16321 1 640 . 1 1 98 98 THR HG21 H 1 1.146 . . 1 . . . . 98 T HG21 . 16321 1 641 . 1 1 98 98 THR HG22 H 1 1.146 . . 1 . . . . 98 T HG21 . 16321 1 642 . 1 1 98 98 THR HG23 H 1 1.146 . . 1 . . . . 98 T HG21 . 16321 1 643 . 1 1 98 98 THR C C 13 172.392 . . 1 . . . . 98 T C . 16321 1 644 . 1 1 98 98 THR CA C 13 63.952 . . 1 . . . . 98 T CA . 16321 1 645 . 1 1 98 98 THR CB C 13 68.133 . . 1 . . . . 98 T CB . 16321 1 646 . 1 1 98 98 THR N N 15 123.543 . . 1 . . . . 98 T N . 16321 1 647 . 1 1 99 99 LYS H H 1 8.326 . . 1 . . . . 99 K HN . 16321 1 648 . 1 1 99 99 LYS HB2 H 1 1.672 . . 2 . . . . 99 K HB1 . 16321 1 649 . 1 1 99 99 LYS C C 13 178.874 . . 1 . . . . 99 K C . 16321 1 650 . 1 1 99 99 LYS CA C 13 54.833 . . 1 . . . . 99 K CA . 16321 1 651 . 1 1 99 99 LYS CB C 13 33.974 . . 1 . . . . 99 K CB . 16321 1 652 . 1 1 99 99 LYS N N 15 124.918 . . 1 . . . . 99 K N . 16321 1 653 . 1 1 100 100 THR H H 1 9.910 . . 1 . . . . 100 T HN . 16321 1 654 . 1 1 100 100 THR N N 15 122.853 . . 1 . . . . 100 T N . 16321 1 655 . 1 1 102 102 GLN HA H 1 4.266 . . 1 . . . . 102 Q HA . 16321 1 656 . 1 1 102 102 GLN HE21 H 1 7.766 . . 2 . . . . 102 Q HE21 . 16321 1 657 . 1 1 102 102 GLN HE22 H 1 6.998 . . 2 . . . . 102 Q HE22 . 16321 1 658 . 1 1 102 102 GLN HG2 H 1 2.363 . . 2 . . . . 102 Q HG1 . 16321 1 659 . 1 1 102 102 GLN CB C 13 29.313 . . 1 . . . . 102 Q CB . 16321 1 660 . 1 1 102 102 GLN CG C 13 35.221 . . 1 . . . . 102 Q CG . 16321 1 661 . 1 1 102 102 GLN NE2 N 15 111.610 . . 1 . . . . 102 Q NE2 . 16321 1 662 . 1 1 103 103 VAL H H 1 7.720 . . 1 . . . . 103 V HN . 16321 1 663 . 1 1 103 103 VAL HA H 1 3.567 . . 1 . . . . 103 V HA . 16321 1 664 . 1 1 103 103 VAL HG11 H 1 1.127 . . 4 . . . . 103 V HG11 . 16321 1 665 . 1 1 103 103 VAL HG12 H 1 1.127 . . 4 . . . . 103 V HG11 . 16321 1 666 . 1 1 103 103 VAL HG13 H 1 1.127 . . 4 . . . . 103 V HG11 . 16321 1 667 . 1 1 103 103 VAL C C 13 177.325 . . 1 . . . . 103 V C . 16321 1 668 . 1 1 103 103 VAL CA C 13 66.523 . . 1 . . . . 103 V CA . 16321 1 669 . 1 1 103 103 VAL CB C 13 31.741 . . 1 . . . . 103 V CB . 16321 1 670 . 1 1 103 103 VAL CG1 C 13 22.690 . . 2 . . . . 103 V CG1 . 16321 1 671 . 1 1 103 103 VAL N N 15 122.593 . . 1 . . . . 103 V N . 16321 1 672 . 1 1 104 104 LEU H H 1 8.562 . . 1 . . . . 104 L HN . 16321 1 673 . 1 1 104 104 LEU C C 13 177.935 . . 1 . . . . 104 L C . 16321 1 674 . 1 1 104 104 LEU CA C 13 57.723 . . 1 . . . . 104 L CA . 16321 1 675 . 1 1 104 104 LEU CB C 13 41.608 . . 1 . . . . 104 L CB . 16321 1 676 . 1 1 104 104 LEU CD1 C 13 25.923 . . 2 . . . . 104 L CD1 . 16321 1 677 . 1 1 104 104 LEU N N 15 118.134 . . 1 . . . . 104 L N . 16321 1 678 . 1 1 105 105 GLU H H 1 7.758 . . 1 . . . . 105 E HN . 16321 1 679 . 1 1 105 105 GLU HA H 1 4.035 . . 1 . . . . 105 E HA . 16321 1 680 . 1 1 105 105 GLU HG2 H 1 2.360 . . 2 . . . . 105 E HG1 . 16321 1 681 . 1 1 105 105 GLU C C 13 178.171 . . 1 . . . . 105 E C . 16321 1 682 . 1 1 105 105 GLU CA C 13 59.582 . . 1 . . . . 105 E CA . 16321 1 683 . 1 1 105 105 GLU CB C 13 30.116 . . 1 . . . . 105 E CB . 16321 1 684 . 1 1 105 105 GLU N N 15 120.177 . . 1 . . . . 105 E N . 16321 1 685 . 1 1 106 106 ALA H H 1 7.600 . . 1 . . . . 106 A HN . 16321 1 686 . 1 1 106 106 ALA HB1 H 1 1.616 . . 1 . . . . 106 A HB1 . 16321 1 687 . 1 1 106 106 ALA HB2 H 1 1.616 . . 1 . . . . 106 A HB1 . 16321 1 688 . 1 1 106 106 ALA HB3 H 1 1.616 . . 1 . . . . 106 A HB1 . 16321 1 689 . 1 1 106 106 ALA C C 13 180.607 . . 1 . . . . 106 A C . 16321 1 690 . 1 1 106 106 ALA CA C 13 54.880 . . 1 . . . . 106 A CA . 16321 1 691 . 1 1 106 106 ALA CB C 13 18.166 . . 1 . . . . 106 A CB . 16321 1 692 . 1 1 106 106 ALA N N 15 121.151 . . 1 . . . . 106 A N . 16321 1 693 . 1 1 107 107 LEU H H 1 8.383 . . 1 . . . . 107 L HN . 16321 1 694 . 1 1 107 107 LEU HD11 H 1 0.794 . . 4 . . . . 107 L HD11 . 16321 1 695 . 1 1 107 107 LEU HD12 H 1 0.794 . . 4 . . . . 107 L HD11 . 16321 1 696 . 1 1 107 107 LEU HD13 H 1 0.794 . . 4 . . . . 107 L HD11 . 16321 1 697 . 1 1 107 107 LEU C C 13 176.559 . . 1 . . . . 107 L C . 16321 1 698 . 1 1 107 107 LEU CA C 13 57.921 . . 1 . . . . 107 L CA . 16321 1 699 . 1 1 107 107 LEU CB C 13 41.603 . . 1 . . . . 107 L CB . 16321 1 700 . 1 1 107 107 LEU CD1 C 13 24.741 . . 2 . . . . 107 L CD1 . 16321 1 701 . 1 1 107 107 LEU CG C 13 27.237 . . 1 . . . . 107 L CG . 16321 1 702 . 1 1 107 107 LEU N N 15 121.104 . . 1 . . . . 107 L N . 16321 1 703 . 1 1 108 108 ASN H H 1 8.047 . . 1 . . . . 108 N HN . 16321 1 704 . 1 1 108 108 ASN HB2 H 1 2.368 . . 2 . . . . 108 N HB1 . 16321 1 705 . 1 1 108 108 ASN C C 13 177.104 . . 1 . . . . 108 N C . 16321 1 706 . 1 1 108 108 ASN CA C 13 57.571 . . 1 . . . . 108 N CA . 16321 1 707 . 1 1 108 108 ASN CB C 13 38.788 . . 1 . . . . 108 N CB . 16321 1 708 . 1 1 108 108 ASN N N 15 117.770 . . 1 . . . . 108 N N . 16321 1 709 . 1 1 109 109 VAL H H 1 7.752 . . 1 . . . . 109 V HN . 16321 1 710 . 1 1 109 109 VAL HA H 1 3.632 . . 1 . . . . 109 V HA . 16321 1 711 . 1 1 109 109 VAL HG11 H 1 1.019 . . 4 . . . . 109 V HG11 . 16321 1 712 . 1 1 109 109 VAL HG12 H 1 1.019 . . 4 . . . . 109 V HG11 . 16321 1 713 . 1 1 109 109 VAL HG13 H 1 1.019 . . 4 . . . . 109 V HG11 . 16321 1 714 . 1 1 109 109 VAL C C 13 177.044 . . 1 . . . . 109 V C . 16321 1 715 . 1 1 109 109 VAL CA C 13 66.522 . . 1 . . . . 109 V CA . 16321 1 716 . 1 1 109 109 VAL CB C 13 31.707 . . 1 . . . . 109 V CB . 16321 1 717 . 1 1 109 109 VAL CG1 C 13 23.182 . . 2 . . . . 109 V CG1 . 16321 1 718 . 1 1 109 109 VAL CG2 C 13 21.072 . . 2 . . . . 109 V CG2 . 16321 1 719 . 1 1 109 109 VAL N N 15 117.480 . . 1 . . . . 109 V N . 16321 1 720 . 1 1 110 110 LEU H H 1 7.453 . . 1 . . . . 110 L HN . 16321 1 721 . 1 1 110 110 LEU HB2 H 1 1.894 . . 2 . . . . 110 L HB1 . 16321 1 722 . 1 1 110 110 LEU HD11 H 1 1.080 . . 4 . . . . 110 L HD11 . 16321 1 723 . 1 1 110 110 LEU HD12 H 1 1.080 . . 4 . . . . 110 L HD11 . 16321 1 724 . 1 1 110 110 LEU HD13 H 1 1.080 . . 4 . . . . 110 L HD11 . 16321 1 725 . 1 1 110 110 LEU C C 13 178.179 . . 1 . . . . 110 L C . 16321 1 726 . 1 1 110 110 LEU CA C 13 56.991 . . 1 . . . . 110 L CA . 16321 1 727 . 1 1 110 110 LEU CB C 13 42.782 . . 1 . . . . 110 L CB . 16321 1 728 . 1 1 110 110 LEU CG C 13 26.848 . . 1 . . . . 110 L CG . 16321 1 729 . 1 1 110 110 LEU N N 15 119.986 . . 1 . . . . 110 L N . 16321 1 730 . 1 1 111 111 VAL H H 1 8.126 . . 1 . . . . 111 V HN . 16321 1 731 . 1 1 111 111 VAL HB H 1 2.998 . . 1 . . . . 111 V HB . 16321 1 732 . 1 1 111 111 VAL HG11 H 1 0.351 . . 4 . . . . 111 V HG11 . 16321 1 733 . 1 1 111 111 VAL HG12 H 1 0.351 . . 4 . . . . 111 V HG11 . 16321 1 734 . 1 1 111 111 VAL HG13 H 1 0.351 . . 4 . . . . 111 V HG11 . 16321 1 735 . 1 1 111 111 VAL HG21 H 1 0.551 . . 4 . . . . 111 V HG21 . 16321 1 736 . 1 1 111 111 VAL HG22 H 1 0.551 . . 4 . . . . 111 V HG21 . 16321 1 737 . 1 1 111 111 VAL HG23 H 1 0.551 . . 4 . . . . 111 V HG21 . 16321 1 738 . 1 1 111 111 VAL C C 13 177.031 . . 1 . . . . 111 V C . 16321 1 739 . 1 1 111 111 VAL CA C 13 65.828 . . 1 . . . . 111 V CA . 16321 1 740 . 1 1 111 111 VAL CB C 13 30.613 . . 1 . . . . 111 V CB . 16321 1 741 . 1 1 111 111 VAL CG1 C 13 23.537 . . 2 . . . . 111 V CG1 . 16321 1 742 . 1 1 111 111 VAL N N 15 115.819 . . 1 . . . . 111 V N . 16321 1 743 . 1 1 112 112 ASN H H 1 7.265 . . 1 . . . . 112 N HN . 16321 1 744 . 1 1 112 112 ASN HA H 1 4.585 . . 1 . . . . 112 N HA . 16321 1 745 . 1 1 112 112 ASN HB2 H 1 2.757 . . 2 . . . . 112 N HB2 . 16321 1 746 . 1 1 112 112 ASN HD21 H 1 7.178 . . 2 . . . . 112 N HD21 . 16321 1 747 . 1 1 112 112 ASN HD22 H 1 6.778 . . 2 . . . . 112 N HD22 . 16321 1 748 . 1 1 112 112 ASN C C 13 175.432 . . 1 . . . . 112 N C . 16321 1 749 . 1 1 112 112 ASN CA C 13 55.573 . . 1 . . . . 112 N CA . 16321 1 750 . 1 1 112 112 ASN CB C 13 40.280 . . 1 . . . . 112 N CB . 16321 1 751 . 1 1 112 112 ASN N N 15 112.843 . . 1 . . . . 112 N N . 16321 1 752 . 1 1 112 112 ASN ND2 N 15 112.455 . . 1 . . . . 112 N ND2 . 16321 1 753 . 1 1 113 113 ARG H H 1 8.329 . . 1 . . . . 113 R HN . 16321 1 754 . 1 1 113 113 ARG CA C 13 53.020 . . 1 . . . . 113 R CA . 16321 1 755 . 1 1 113 113 ARG CB C 13 30.533 . . 1 . . . . 113 R CB . 16321 1 756 . 1 1 113 113 ARG N N 15 121.241 . . 1 . . . . 113 R N . 16321 1 757 . 1 1 114 114 PRO HA H 1 4.502 . . 1 . . . . 114 P HA . 16321 1 758 . 1 1 114 114 PRO C C 13 175.828 . . 1 . . . . 114 P C . 16321 1 759 . 1 1 114 114 PRO CA C 13 63.185 . . 1 . . . . 114 P CA . 16321 1 760 . 1 1 114 114 PRO CB C 13 32.182 . . 1 . . . . 114 P CB . 16321 1 761 . 1 1 115 115 ASN H H 1 8.843 . . 1 . . . . 115 N HN . 16321 1 762 . 1 1 115 115 ASN HB2 H 1 2.819 . . 2 . . . . 115 N HB1 . 16321 1 763 . 1 1 115 115 ASN HD21 H 1 7.650 . . 2 . . . . 115 N HD21 . 16321 1 764 . 1 1 115 115 ASN HD22 H 1 7.111 . . 2 . . . . 115 N HD22 . 16321 1 765 . 1 1 115 115 ASN C C 13 176.748 . . 1 . . . . 115 N C . 16321 1 766 . 1 1 115 115 ASN CA C 13 51.382 . . 1 . . . . 115 N CA . 16321 1 767 . 1 1 115 115 ASN CB C 13 39.226 . . 1 . . . . 115 N CB . 16321 1 768 . 1 1 115 115 ASN N N 15 120.208 . . 1 . . . . 115 N N . 16321 1 769 . 1 1 115 115 ASN ND2 N 15 111.962 . . 1 . . . . 115 N ND2 . 16321 1 770 . 1 1 116 116 ILE H H 1 8.369 . . 1 . . . . 116 I HN . 16321 1 771 . 1 1 116 116 ILE HA H 1 3.743 . . 1 . . . . 116 I HA . 16321 1 772 . 1 1 116 116 ILE HB H 1 1.768 . . 1 . . . . 116 I HB . 16321 1 773 . 1 1 116 116 ILE HG12 H 1 1.223 . . 9 . . . . 116 I HG12 . 16321 1 774 . 1 1 116 116 ILE HG21 H 1 0.768 . . 4 . . . . 116 I HG21 . 16321 1 775 . 1 1 116 116 ILE HG22 H 1 0.768 . . 4 . . . . 116 I HG21 . 16321 1 776 . 1 1 116 116 ILE HG23 H 1 0.768 . . 4 . . . . 116 I HG21 . 16321 1 777 . 1 1 116 116 ILE C C 13 175.492 . . 1 . . . . 116 I C . 16321 1 778 . 1 1 116 116 ILE CA C 13 62.185 . . 1 . . . . 116 I CA . 16321 1 779 . 1 1 116 116 ILE CB C 13 37.625 . . 1 . . . . 116 I CB . 16321 1 780 . 1 1 116 116 ILE CD1 C 13 13.812 . . 1 . . . . 116 I CD1 . 16321 1 781 . 1 1 116 116 ILE CG1 C 13 26.439 . . 1 . . . . 116 I CG1 . 16321 1 782 . 1 1 116 116 ILE CG2 C 13 19.717 . . 1 . . . . 116 I CG2 . 16321 1 783 . 1 1 116 116 ILE N N 15 118.323 . . 1 . . . . 116 I N . 16321 1 784 . 1 1 117 117 ARG H H 1 7.925 . . 1 . . . . 117 R HN . 16321 1 785 . 1 1 117 117 ARG HA H 1 4.154 . . 1 . . . . 117 R HA . 16321 1 786 . 1 1 117 117 ARG HD2 H 1 3.197 . . 2 . . . . 117 R HD1 . 16321 1 787 . 1 1 117 117 ARG HG2 H 1 1.640 . . 2 . . . . 117 R HG1 . 16321 1 788 . 1 1 117 117 ARG C C 13 176.861 . . 1 . . . . 117 R C . 16321 1 789 . 1 1 117 117 ARG CA C 13 57.406 . . 1 . . . . 117 R CA . 16321 1 790 . 1 1 117 117 ARG CB C 13 30.156 . . 1 . . . . 117 R CB . 16321 1 791 . 1 1 117 117 ARG N N 15 119.300 . . 1 . . . . 117 R N . 16321 1 792 . 1 1 118 118 GLU H H 1 6.933 . . 1 . . . . 118 E HN . 16321 1 793 . 1 1 118 118 GLU CA C 13 53.666 . . 1 . . . . 118 E CA . 16321 1 794 . 1 1 118 118 GLU CB C 13 30.216 . . 1 . . . . 118 E CB . 16321 1 795 . 1 1 118 118 GLU N N 15 116.577 . . 1 . . . . 118 E N . 16321 1 796 . 1 1 119 119 PRO HB2 H 1 1.750 . . 2 . . . . 119 P HB1 . 16321 1 797 . 1 1 119 119 PRO HG2 H 1 1.468 . . 2 . . . . 119 P HG1 . 16321 1 798 . 1 1 119 119 PRO C C 13 176.476 . . 1 . . . . 119 P C . 16321 1 799 . 1 1 119 119 PRO CA C 13 63.071 . . 1 . . . . 119 P CA . 16321 1 800 . 1 1 120 120 LEU H H 1 8.311 . . 1 . . . . 120 L HN . 16321 1 801 . 1 1 120 120 LEU HB2 H 1 1.385 . . 2 . . . . 120 L HB1 . 16321 1 802 . 1 1 120 120 LEU HD11 H 1 0.843 . . 4 . . . . 120 L HD11 . 16321 1 803 . 1 1 120 120 LEU HD12 H 1 0.843 . . 4 . . . . 120 L HD11 . 16321 1 804 . 1 1 120 120 LEU HD13 H 1 0.843 . . 4 . . . . 120 L HD11 . 16321 1 805 . 1 1 120 120 LEU C C 13 177.480 . . 1 . . . . 120 L C . 16321 1 806 . 1 1 120 120 LEU CA C 13 55.685 . . 1 . . . . 120 L CA . 16321 1 807 . 1 1 120 120 LEU CB C 13 44.083 . . 1 . . . . 120 L CB . 16321 1 808 . 1 1 120 120 LEU CD1 C 13 23.185 . . 2 . . . . 120 L CD1 . 16321 1 809 . 1 1 120 120 LEU CG C 13 25.979 . . 1 . . . . 120 L CG . 16321 1 810 . 1 1 120 120 LEU N N 15 117.768 . . 1 . . . . 120 L N . 16321 1 811 . 1 1 121 121 ARG H H 1 7.852 . . 1 . . . . 121 R HN . 16321 1 812 . 1 1 121 121 ARG C C 13 176.137 . . 1 . . . . 121 R C . 16321 1 813 . 1 1 121 121 ARG CA C 13 54.781 . . 1 . . . . 121 R CA . 16321 1 814 . 1 1 121 121 ARG CB C 13 31.421 . . 1 . . . . 121 R CB . 16321 1 815 . 1 1 121 121 ARG N N 15 118.603 . . 1 . . . . 121 R N . 16321 1 816 . 1 1 122 122 MET H H 1 9.138 . . 1 . . . . 122 M HN . 16321 1 817 . 1 1 122 122 MET HA H 1 3.939 . . 1 . . . . 122 M HA . 16321 1 818 . 1 1 122 122 MET HB2 H 1 2.604 . . 2 . . . . 122 M HB1 . 16321 1 819 . 1 1 122 122 MET C C 13 177.212 . . 1 . . . . 122 M C . 16321 1 820 . 1 1 122 122 MET CA C 13 58.392 . . 1 . . . . 122 M CA . 16321 1 821 . 1 1 122 122 MET CB C 13 31.874 . . 1 . . . . 122 M CB . 16321 1 822 . 1 1 122 122 MET N N 15 125.881 . . 1 . . . . 122 M N . 16321 1 823 . 1 1 123 123 ASP H H 1 9.207 . . 1 . . . . 123 D HN . 16321 1 824 . 1 1 123 123 ASP HB2 H 1 2.562 . . 2 . . . . 123 D HB1 . 16321 1 825 . 1 1 123 123 ASP HB3 H 1 2.829 . . 2 . . . . 123 D HB2 . 16321 1 826 . 1 1 123 123 ASP C C 13 179.451 . . 1 . . . . 123 D C . 16321 1 827 . 1 1 123 123 ASP CA C 13 56.025 . . 1 . . . . 123 D CA . 16321 1 828 . 1 1 123 123 ASP CB C 13 37.583 . . 1 . . . . 123 D CB . 16321 1 829 . 1 1 123 123 ASP N N 15 116.699 . . 1 . . . . 123 D N . 16321 1 830 . 1 1 124 124 LEU H H 1 7.283 . . 1 . . . . 124 L HN . 16321 1 831 . 1 1 124 124 LEU HB2 H 1 1.467 . . 2 . . . . 124 L HB1 . 16321 1 832 . 1 1 124 124 LEU C C 13 178.111 . . 1 . . . . 124 L C . 16321 1 833 . 1 1 124 124 LEU CA C 13 58.511 . . 1 . . . . 124 L CA . 16321 1 834 . 1 1 124 124 LEU CB C 13 42.384 . . 1 . . . . 124 L CB . 16321 1 835 . 1 1 124 124 LEU N N 15 122.696 . . 1 . . . . 124 L N . 16321 1 836 . 1 1 125 125 ALA H H 1 7.633 . . 1 . . . . 125 A HN . 16321 1 837 . 1 1 125 125 ALA HA H 1 4.959 . . 1 . . . . 125 A HA . 16321 1 838 . 1 1 125 125 ALA HB1 H 1 1.482 . . 1 . . . . 125 A HB1 . 16321 1 839 . 1 1 125 125 ALA HB2 H 1 1.482 . . 1 . . . . 125 A HB1 . 16321 1 840 . 1 1 125 125 ALA HB3 H 1 1.482 . . 1 . . . . 125 A HB1 . 16321 1 841 . 1 1 125 125 ALA C C 13 178.791 . . 1 . . . . 125 A C . 16321 1 842 . 1 1 125 125 ALA CA C 13 55.398 . . 1 . . . . 125 A CA . 16321 1 843 . 1 1 125 125 ALA CB C 13 18.448 . . 1 . . . . 125 A CB . 16321 1 844 . 1 1 125 125 ALA N N 15 121.231 . . 1 . . . . 125 A N . 16321 1 845 . 1 1 126 126 ASP H H 1 8.360 . . 1 . . . . 126 D HN . 16321 1 846 . 1 1 126 126 ASP HB2 H 1 2.641 . . 2 . . . . 126 D HB1 . 16321 1 847 . 1 1 126 126 ASP C C 13 177.973 . . 1 . . . . 126 D C . 16321 1 848 . 1 1 126 126 ASP CA C 13 57.275 . . 1 . . . . 126 D CA . 16321 1 849 . 1 1 126 126 ASP CB C 13 40.562 . . 1 . . . . 126 D CB . 16321 1 850 . 1 1 126 126 ASP N N 15 118.450 . . 1 . . . . 126 D N . 16321 1 851 . 1 1 127 127 LEU H H 1 7.704 . . 1 . . . . 127 L HN . 16321 1 852 . 1 1 127 127 LEU HA H 1 4.009 . . 1 . . . . 127 L HA . 16321 1 853 . 1 1 127 127 LEU HD11 H 1 0.734 . . 4 . . . . 127 L HD11 . 16321 1 854 . 1 1 127 127 LEU HD12 H 1 0.734 . . 4 . . . . 127 L HD11 . 16321 1 855 . 1 1 127 127 LEU HD13 H 1 0.734 . . 4 . . . . 127 L HD11 . 16321 1 856 . 1 1 127 127 LEU CA C 13 58.131 . . 1 . . . . 127 L CA . 16321 1 857 . 1 1 127 127 LEU CB C 13 42.548 . . 1 . . . . 127 L CB . 16321 1 858 . 1 1 127 127 LEU CG C 13 25.800 . . 1 . . . . 127 L CG . 16321 1 859 . 1 1 127 127 LEU N N 15 121.051 . . 1 . . . . 127 L N . 16321 1 860 . 1 1 128 128 LEU H H 1 8.032 . . 1 . . . . 128 L HN . 16321 1 861 . 1 1 128 128 LEU HD11 H 1 0.301 . . 4 . . . . 128 L HD11 . 16321 1 862 . 1 1 128 128 LEU HD12 H 1 0.301 . . 4 . . . . 128 L HD11 . 16321 1 863 . 1 1 128 128 LEU HD13 H 1 0.301 . . 4 . . . . 128 L HD11 . 16321 1 864 . 1 1 128 128 LEU HD21 H 1 0.650 . . 4 . . . . 128 L HD21 . 16321 1 865 . 1 1 128 128 LEU HD22 H 1 0.650 . . 4 . . . . 128 L HD21 . 16321 1 866 . 1 1 128 128 LEU HD23 H 1 0.650 . . 4 . . . . 128 L HD21 . 16321 1 867 . 1 1 128 128 LEU C C 13 177.656 . . 1 . . . . 128 L C . 16321 1 868 . 1 1 128 128 LEU CA C 13 58.468 . . 1 . . . . 128 L CA . 16321 1 869 . 1 1 128 128 LEU CB C 13 41.242 . . 1 . . . . 128 L CB . 16321 1 870 . 1 1 128 128 LEU CD1 C 13 22.797 . . 2 . . . . 128 L CD1 . 16321 1 871 . 1 1 128 128 LEU CG C 13 25.507 . . 1 . . . . 128 L CG . 16321 1 872 . 1 1 128 128 LEU N N 15 118.217 . . 1 . . . . 128 L N . 16321 1 873 . 1 1 129 129 THR H H 1 7.539 . . 1 . . . . 129 T HN . 16321 1 874 . 1 1 129 129 THR HA H 1 4.237 . . 1 . . . . 129 T HA . 16321 1 875 . 1 1 129 129 THR HB H 1 3.949 . . 1 . . . . 129 T HB . 16321 1 876 . 1 1 129 129 THR HG21 H 1 1.191 . . 1 . . . . 129 T HG21 . 16321 1 877 . 1 1 129 129 THR HG22 H 1 1.191 . . 1 . . . . 129 T HG21 . 16321 1 878 . 1 1 129 129 THR HG23 H 1 1.191 . . 1 . . . . 129 T HG21 . 16321 1 879 . 1 1 129 129 THR C C 13 176.216 . . 1 . . . . 129 T C . 16321 1 880 . 1 1 129 129 THR CA C 13 65.176 . . 1 . . . . 129 T CA . 16321 1 881 . 1 1 129 129 THR CB C 13 69.241 . . 1 . . . . 129 T CB . 16321 1 882 . 1 1 129 129 THR N N 15 109.693 . . 1 . . . . 129 T N . 16321 1 883 . 1 1 130 130 GLN H H 1 8.453 . . 1 . . . . 130 Q HN . 16321 1 884 . 1 1 130 130 GLN HA H 1 4.240 . . 1 . . . . 130 Q HA . 16321 1 885 . 1 1 130 130 GLN HE21 H 1 7.598 . . 2 . . . . 130 Q HE21 . 16321 1 886 . 1 1 130 130 GLN HE22 H 1 6.791 . . 2 . . . . 130 Q HE22 . 16321 1 887 . 1 1 130 130 GLN HG2 H 1 2.502 . . 2 . . . . 130 Q HG1 . 16321 1 888 . 1 1 130 130 GLN C C 13 177.168 . . 1 . . . . 130 Q C . 16321 1 889 . 1 1 130 130 GLN CA C 13 57.655 . . 1 . . . . 130 Q CA . 16321 1 890 . 1 1 130 130 GLN CB C 13 29.900 . . 1 . . . . 130 Q CB . 16321 1 891 . 1 1 130 130 GLN CG C 13 33.842 . . 1 . . . . 130 Q CG . 16321 1 892 . 1 1 130 130 GLN N N 15 118.774 . . 1 . . . . 130 Q N . 16321 1 893 . 1 1 130 130 GLN NE2 N 15 111.844 . . 1 . . . . 130 Q NE2 . 16321 1 894 . 1 1 131 131 ASN H H 1 9.098 . . 1 . . . . 131 N HN . 16321 1 895 . 1 1 131 131 ASN HD21 H 1 7.857 . . 2 . . . . 131 N HD21 . 16321 1 896 . 1 1 131 131 ASN HD22 H 1 6.890 . . 2 . . . . 131 N HD22 . 16321 1 897 . 1 1 131 131 ASN CA C 13 50.967 . . 1 . . . . 131 N CA . 16321 1 898 . 1 1 131 131 ASN CB C 13 38.539 . . 1 . . . . 131 N CB . 16321 1 899 . 1 1 131 131 ASN N N 15 116.552 . . 1 . . . . 131 N N . 16321 1 900 . 1 1 131 131 ASN ND2 N 15 112.448 . . 1 . . . . 131 N ND2 . 16321 1 901 . 1 1 132 132 PRO HA H 1 4.393 . . 1 . . . . 132 P HA . 16321 1 902 . 1 1 132 132 PRO HB2 H 1 2.077 . . 2 . . . . 132 P HB1 . 16321 1 903 . 1 1 132 132 PRO C C 13 179.476 . . 1 . . . . 132 P C . 16321 1 904 . 1 1 132 132 PRO CA C 13 65.438 . . 1 . . . . 132 P CA . 16321 1 905 . 1 1 132 132 PRO CB C 13 31.556 . . 1 . . . . 132 P CB . 16321 1 906 . 1 1 133 133 GLU H H 1 8.770 . . 1 . . . . 133 E HN . 16321 1 907 . 1 1 133 133 GLU HA H 1 4.140 . . 1 . . . . 133 E HA . 16321 1 908 . 1 1 133 133 GLU HG2 H 1 2.341 . . 2 . . . . 133 E HG1 . 16321 1 909 . 1 1 133 133 GLU C C 13 178.816 . . 1 . . . . 133 E C . 16321 1 910 . 1 1 133 133 GLU CA C 13 59.750 . . 1 . . . . 133 E CA . 16321 1 911 . 1 1 133 133 GLU CB C 13 29.153 . . 1 . . . . 133 E CB . 16321 1 912 . 1 1 133 133 GLU N N 15 118.261 . . 1 . . . . 133 E N . 16321 1 913 . 1 1 134 134 LEU H H 1 7.425 . . 1 . . . . 134 L HN . 16321 1 914 . 1 1 134 134 LEU HD11 H 1 0.948 . . 4 . . . . 134 L HD11 . 16321 1 915 . 1 1 134 134 LEU HD12 H 1 0.948 . . 4 . . . . 134 L HD11 . 16321 1 916 . 1 1 134 134 LEU HD13 H 1 0.948 . . 4 . . . . 134 L HD11 . 16321 1 917 . 1 1 134 134 LEU C C 13 178.584 . . 1 . . . . 134 L C . 16321 1 918 . 1 1 134 134 LEU CA C 13 57.115 . . 1 . . . . 134 L CA . 16321 1 919 . 1 1 134 134 LEU CB C 13 42.127 . . 1 . . . . 134 L CB . 16321 1 920 . 1 1 134 134 LEU CG C 13 25.499 . . 1 . . . . 134 L CG . 16321 1 921 . 1 1 134 134 LEU N N 15 123.115 . . 1 . . . . 134 L N . 16321 1 922 . 1 1 135 135 PHE H H 1 8.304 . . 1 . . . . 135 F HN . 16321 1 923 . 1 1 135 135 PHE HB2 H 1 2.821 . . 2 . . . . 135 F HB1 . 16321 1 924 . 1 1 135 135 PHE HB3 H 1 3.340 . . 2 . . . . 135 F HB2 . 16321 1 925 . 1 1 135 135 PHE C C 13 176.453 . . 1 . . . . 135 F C . 16321 1 926 . 1 1 135 135 PHE CA C 13 63.436 . . 1 . . . . 135 F CA . 16321 1 927 . 1 1 135 135 PHE CB C 13 39.134 . . 1 . . . . 135 F CB . 16321 1 928 . 1 1 135 135 PHE N N 15 118.300 . . 1 . . . . 135 F N . 16321 1 929 . 1 1 136 136 ARG H H 1 8.464 . . 1 . . . . 136 R HN . 16321 1 930 . 1 1 136 136 ARG HB2 H 1 1.782 . . 2 . . . . 136 R HB1 . 16321 1 931 . 1 1 136 136 ARG C C 13 178.005 . . 1 . . . . 136 R C . 16321 1 932 . 1 1 136 136 ARG CA C 13 60.234 . . 1 . . . . 136 R CA . 16321 1 933 . 1 1 136 136 ARG CB C 13 29.374 . . 1 . . . . 136 R CB . 16321 1 934 . 1 1 136 136 ARG N N 15 117.896 . . 1 . . . . 136 R N . 16321 1 935 . 1 1 137 137 LYS H H 1 7.850 . . 1 . . . . 137 K HN . 16321 1 936 . 1 1 137 137 LYS HA H 1 3.988 . . 1 . . . . 137 K HA . 16321 1 937 . 1 1 137 137 LYS HB2 H 1 1.897 . . 2 . . . . 137 K HB1 . 16321 1 938 . 1 1 137 137 LYS HD2 H 1 1.615 . . 2 . . . . 137 K HD1 . 16321 1 939 . 1 1 137 137 LYS C C 13 179.186 . . 1 . . . . 137 K C . 16321 1 940 . 1 1 137 137 LYS CA C 13 59.772 . . 1 . . . . 137 K CA . 16321 1 941 . 1 1 137 137 LYS CB C 13 32.621 . . 1 . . . . 137 K CB . 16321 1 942 . 1 1 137 137 LYS N N 15 120.498 . . 1 . . . . 137 K N . 16321 1 943 . 1 1 138 138 ASN H H 1 8.360 . . 1 . . . . 138 N HN . 16321 1 944 . 1 1 138 138 ASN HB2 H 1 2.604 . . 2 . . . . 138 N HB1 . 16321 1 945 . 1 1 138 138 ASN HD21 H 1 7.785 . . 2 . . . . 138 N HD21 . 16321 1 946 . 1 1 138 138 ASN HD22 H 1 7.274 . . 2 . . . . 138 N HD22 . 16321 1 947 . 1 1 138 138 ASN C C 13 178.034 . . 1 . . . . 138 N C . 16321 1 948 . 1 1 138 138 ASN CA C 13 55.081 . . 1 . . . . 138 N CA . 16321 1 949 . 1 1 138 138 ASN CB C 13 37.966 . . 1 . . . . 138 N CB . 16321 1 950 . 1 1 138 138 ASN N N 15 119.456 . . 1 . . . . 138 N N . 16321 1 951 . 1 1 138 138 ASN ND2 N 15 108.417 . . 1 . . . . 138 N ND2 . 16321 1 952 . 1 1 139 139 ALA H H 1 8.882 . . 1 . . . . 139 A HN . 16321 1 953 . 1 1 139 139 ALA HB1 H 1 1.093 . . 1 . . . . 139 A HB1 . 16321 1 954 . 1 1 139 139 ALA HB2 H 1 1.093 . . 1 . . . . 139 A HB1 . 16321 1 955 . 1 1 139 139 ALA HB3 H 1 1.093 . . 1 . . . . 139 A HB1 . 16321 1 956 . 1 1 139 139 ALA C C 13 180.774 . . 1 . . . . 139 A C . 16321 1 957 . 1 1 139 139 ALA CA C 13 55.192 . . 1 . . . . 139 A CA . 16321 1 958 . 1 1 139 139 ALA CB C 13 18.295 . . 1 . . . . 139 A CB . 16321 1 959 . 1 1 139 139 ALA N N 15 123.033 . . 1 . . . . 139 A N . 16321 1 960 . 1 1 140 140 GLU H H 1 8.959 . . 1 . . . . 140 E HN . 16321 1 961 . 1 1 140 140 GLU HB2 H 1 2.152 . . 2 . . . . 140 E HB1 . 16321 1 962 . 1 1 140 140 GLU C C 13 177.535 . . 1 . . . . 140 E C . 16321 1 963 . 1 1 140 140 GLU CA C 13 60.713 . . 1 . . . . 140 E CA . 16321 1 964 . 1 1 140 140 GLU CB C 13 30.165 . . 1 . . . . 140 E CB . 16321 1 965 . 1 1 140 140 GLU N N 15 124.475 . . 1 . . . . 140 E N . 16321 1 966 . 1 1 141 141 GLU H H 1 7.944 . . 1 . . . . 141 E HN . 16321 1 967 . 1 1 141 141 GLU HA H 1 3.888 . . 1 . . . . 141 E HA . 16321 1 968 . 1 1 141 141 GLU HB2 H 1 2.121 . . 2 . . . . 141 E HB1 . 16321 1 969 . 1 1 141 141 GLU HG2 H 1 2.407 . . 2 . . . . 141 E HG1 . 16321 1 970 . 1 1 141 141 GLU C C 13 179.201 . . 1 . . . . 141 E C . 16321 1 971 . 1 1 141 141 GLU CA C 13 59.843 . . 1 . . . . 141 E CA . 16321 1 972 . 1 1 141 141 GLU CB C 13 29.417 . . 1 . . . . 141 E CB . 16321 1 973 . 1 1 141 141 GLU N N 15 118.991 . . 1 . . . . 141 E N . 16321 1 974 . 1 1 142 142 PHE H H 1 8.269 . . 1 . . . . 142 F HN . 16321 1 975 . 1 1 142 142 PHE HB2 H 1 3.154 . . 2 . . . . 142 F HB1 . 16321 1 976 . 1 1 142 142 PHE C C 13 179.790 . . 1 . . . . 142 F C . 16321 1 977 . 1 1 142 142 PHE CA C 13 62.270 . . 1 . . . . 142 F CA . 16321 1 978 . 1 1 142 142 PHE CB C 13 39.503 . . 1 . . . . 142 F CB . 16321 1 979 . 1 1 142 142 PHE N N 15 120.353 . . 1 . . . . 142 F N . 16321 1 980 . 1 1 143 143 THR H H 1 8.624 . . 1 . . . . 143 T HN . 16321 1 981 . 1 1 143 143 THR C C 13 176.092 . . 1 . . . . 143 T C . 16321 1 982 . 1 1 143 143 THR CA C 13 67.705 . . 1 . . . . 143 T CA . 16321 1 983 . 1 1 143 143 THR CB C 13 68.878 . . 1 . . . . 143 T CB . 16321 1 984 . 1 1 143 143 THR N N 15 120.563 . . 1 . . . . 143 T N . 16321 1 985 . 1 1 144 144 LEU H H 1 8.227 . . 1 . . . . 144 L HN . 16321 1 986 . 1 1 144 144 LEU HB2 H 1 1.802 . . 2 . . . . 144 L HB1 . 16321 1 987 . 1 1 144 144 LEU HD11 H 1 0.849 . . 4 . . . . 144 L HD11 . 16321 1 988 . 1 1 144 144 LEU HD12 H 1 0.849 . . 4 . . . . 144 L HD11 . 16321 1 989 . 1 1 144 144 LEU HD13 H 1 0.849 . . 4 . . . . 144 L HD11 . 16321 1 990 . 1 1 144 144 LEU C C 13 178.849 . . 1 . . . . 144 L C . 16321 1 991 . 1 1 144 144 LEU CA C 13 57.869 . . 1 . . . . 144 L CA . 16321 1 992 . 1 1 144 144 LEU CB C 13 41.801 . . 1 . . . . 144 L CB . 16321 1 993 . 1 1 144 144 LEU CD1 C 13 25.235 . . 2 . . . . 144 L CD1 . 16321 1 994 . 1 1 144 144 LEU N N 15 119.884 . . 1 . . . . 144 L N . 16321 1 995 . 1 1 145 145 ARG H H 1 7.825 . . 1 . . . . 145 R HN . 16321 1 996 . 1 1 145 145 ARG HD2 H 1 2.719 . . 2 . . . . 145 R HD1 . 16321 1 997 . 1 1 145 145 ARG HG2 H 1 1.360 . . 2 . . . . 145 R HG1 . 16321 1 998 . 1 1 145 145 ARG C C 13 177.831 . . 1 . . . . 145 R C . 16321 1 999 . 1 1 145 145 ARG CA C 13 58.686 . . 1 . . . . 145 R CA . 16321 1 1000 . 1 1 145 145 ARG CB C 13 30.969 . . 1 . . . . 145 R CB . 16321 1 1001 . 1 1 145 145 ARG N N 15 118.067 . . 1 . . . . 145 R N . 16321 1 1002 . 1 1 146 146 PHE H H 1 7.661 . . 1 . . . . 146 F HN . 16321 1 1003 . 1 1 146 146 PHE HA H 1 4.850 . . 1 . . . . 146 F HA . 16321 1 1004 . 1 1 146 146 PHE HB2 H 1 2.641 . . 2 . . . . 146 F HB1 . 16321 1 1005 . 1 1 146 146 PHE C C 13 176.196 . . 1 . . . . 146 F C . 16321 1 1006 . 1 1 146 146 PHE CA C 13 58.613 . . 1 . . . . 146 F CA . 16321 1 1007 . 1 1 146 146 PHE CB C 13 41.780 . . 1 . . . . 146 F CB . 16321 1 1008 . 1 1 146 146 PHE N N 15 112.361 . . 1 . . . . 146 F N . 16321 1 1009 . 1 1 147 147 GLY H H 1 8.382 . . 1 . . . . 147 G HN . 16321 1 1010 . 1 1 147 147 GLY HA2 H 1 3.429 . . 2 . . . . 147 G HA1 . 16321 1 1011 . 1 1 147 147 GLY HA3 H 1 3.848 . . 2 . . . . 147 G HA2 . 16321 1 1012 . 1 1 147 147 GLY C C 13 172.655 . . 1 . . . . 147 G C . 16321 1 1013 . 1 1 147 147 GLY CA C 13 45.113 . . 1 . . . . 147 G CA . 16321 1 1014 . 1 1 147 147 GLY N N 15 107.341 . . 1 . . . . 147 G N . 16321 1 1015 . 1 1 148 148 VAL H H 1 8.310 . . 1 . . . . 148 V HN . 16321 1 1016 . 1 1 148 148 VAL HA H 1 4.224 . . 1 . . . . 148 V HA . 16321 1 1017 . 1 1 148 148 VAL HB H 1 1.792 . . 1 . . . . 148 V HB . 16321 1 1018 . 1 1 148 148 VAL HG11 H 1 0.958 . . 4 . . . . 148 V HG11 . 16321 1 1019 . 1 1 148 148 VAL HG12 H 1 0.958 . . 4 . . . . 148 V HG11 . 16321 1 1020 . 1 1 148 148 VAL HG13 H 1 0.958 . . 4 . . . . 148 V HG11 . 16321 1 1021 . 1 1 148 148 VAL C C 13 175.566 . . 1 . . . . 148 V C . 16321 1 1022 . 1 1 148 148 VAL CA C 13 61.066 . . 1 . . . . 148 V CA . 16321 1 1023 . 1 1 148 148 VAL CB C 13 33.130 . . 1 . . . . 148 V CB . 16321 1 1024 . 1 1 148 148 VAL CG1 C 13 21.525 . . 2 . . . . 148 V CG1 . 16321 1 1025 . 1 1 148 148 VAL N N 15 120.324 . . 1 . . . . 148 V N . 16321 1 1026 . 1 1 149 149 ASP H H 1 8.351 . . 1 . . . . 149 D HN . 16321 1 1027 . 1 1 149 149 ASP HB2 H 1 2.445 . . 2 . . . . 149 D HB1 . 16321 1 1028 . 1 1 149 149 ASP C C 13 176.020 . . 1 . . . . 149 D C . 16321 1 1029 . 1 1 149 149 ASP CA C 13 55.963 . . 1 . . . . 149 D CA . 16321 1 1030 . 1 1 149 149 ASP CB C 13 40.586 . . 1 . . . . 149 D CB . 16321 1 1031 . 1 1 149 149 ASP N N 15 123.869 . . 1 . . . . 149 D N . 16321 1 1032 . 1 1 150 150 ARG H H 1 8.480 . . 1 . . . . 150 R HN . 16321 1 1033 . 1 1 150 150 ARG CA C 13 53.930 . . 1 . . . . 150 R CA . 16321 1 1034 . 1 1 150 150 ARG CB C 13 31.462 . . 1 . . . . 150 R CB . 16321 1 1035 . 1 1 150 150 ARG N N 15 122.597 . . 1 . . . . 150 R N . 16321 1 1036 . 1 1 151 151 PRO HA H 1 4.510 . . 1 . . . . 151 P HA . 16321 1 1037 . 1 1 151 151 PRO HB2 H 1 2.321 . . 2 . . . . 151 P HB1 . 16321 1 1038 . 1 1 151 151 PRO HD2 H 1 3.307 . . 2 . . . . 151 P HD1 . 16321 1 1039 . 1 1 151 151 PRO HG2 H 1 1.879 . . 2 . . . . 151 P HG1 . 16321 1 1040 . 1 1 151 151 PRO C C 13 175.440 . . 1 . . . . 151 P C . 16321 1 1041 . 1 1 151 151 PRO CA C 13 62.889 . . 1 . . . . 151 P CA . 16321 1 1042 . 1 1 151 151 PRO CB C 13 32.089 . . 1 . . . . 151 P CB . 16321 1 1043 . 1 1 152 152 SER H H 1 8.109 . . 1 . . . . 152 S HN . 16321 1 1044 . 1 1 152 152 SER CA C 13 60.559 . . 1 . . . . 152 S CA . 16321 1 1045 . 1 1 152 152 SER CB C 13 64.463 . . 1 . . . . 152 S CB . 16321 1 1046 . 1 1 152 152 SER N N 15 121.332 . . 1 . . . . 152 S N . 16321 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 32 16321 1 1 33 16321 1 1 34 16321 1 2 41 16321 1 2 42 16321 1 2 43 16321 1 3 84 16321 1 3 85 16321 1 3 86 16321 1 3 87 16321 1 3 88 16321 1 3 89 16321 1 4 131 16321 1 4 132 16321 1 4 133 16321 1 5 158 16321 1 5 159 16321 1 5 160 16321 1 5 161 16321 1 5 162 16321 1 5 163 16321 1 6 211 16321 1 6 212 16321 1 6 213 16321 1 7 221 16321 1 7 222 16321 1 7 223 16321 1 7 224 16321 1 7 225 16321 1 7 226 16321 1 8 258 16321 1 8 259 16321 1 8 260 16321 1 8 261 16321 1 8 262 16321 1 8 263 16321 1 9 271 16321 1 9 272 16321 1 9 273 16321 1 10 352 16321 1 10 353 16321 1 10 354 16321 1 11 369 16321 1 11 370 16321 1 11 371 16321 1 12 431 16321 1 12 432 16321 1 12 433 16321 1 13 553 16321 1 13 554 16321 1 13 555 16321 1 14 585 16321 1 14 586 16321 1 14 587 16321 1 15 664 16321 1 15 665 16321 1 15 666 16321 1 16 694 16321 1 16 695 16321 1 16 696 16321 1 17 711 16321 1 17 712 16321 1 17 713 16321 1 18 722 16321 1 18 723 16321 1 18 724 16321 1 19 732 16321 1 19 733 16321 1 19 734 16321 1 19 735 16321 1 19 736 16321 1 19 737 16321 1 20 774 16321 1 20 775 16321 1 20 776 16321 1 21 802 16321 1 21 803 16321 1 21 804 16321 1 22 853 16321 1 22 854 16321 1 22 855 16321 1 23 861 16321 1 23 862 16321 1 23 863 16321 1 23 864 16321 1 23 865 16321 1 23 866 16321 1 24 914 16321 1 24 915 16321 1 24 916 16321 1 25 987 16321 1 25 988 16321 1 25 989 16321 1 26 1018 16321 1 26 1019 16321 1 26 1020 16321 1 stop_ save_