data_17019 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17019 _Entry.Title ; DAXX helical bundle (DHB) domain / Rassf1C complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-25 _Entry.Accession_date 2010-06-25 _Entry.Last_release_date 2011-03-07 _Entry.Original_release_date 2011-03-07 _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 Eric Escobar-Cabrera . . . 17019 2 Lawrence McIntosh . P. . 17019 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17019 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID complex . 17019 DAXX . 17019 'DAXX helical bundle (DHB) domain' . 17019 Rassf1C . 17019 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17019 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 387 17019 '15N chemical shifts' 115 17019 '1H chemical shifts' 790 17019 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 1 . . 2011-03-07 2010-06-25 original author . 17019 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KZU 'BMRB Entry Tracking System' 17019 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17019 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21134643 _Citation.Full_citation . _Citation.Title 'Structural characterization of the DAXX N-terminal helical bundle domain and its complex with Rassf1C' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 12 _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 1642 _Citation.Page_last 1653 _Citation.Year 2010 _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 Eric Escobar-Cabrera . . . 17019 1 2 Desmond Lau . K.W. . 17019 1 3 Serena Giovinazzi . R. . 17019 1 4 Ishov Alexander . M. . 17019 1 5 Lawrence McIntosh . P. . 17019 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID complex 17019 1 DAXX 17019 1 'Helical bundle' 17019 1 mitosis 17019 1 Rassf1C 17019 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17019 _Assembly.ID 1 _Assembly.Name 'DAXX / Rassf1C complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DAXX 1 $DAXX A . yes native no no . . . 17019 1 2 Rassf1C 2 $Rassf1C B . yes native no no . . . 17019 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DAXX _Entity.Sf_category entity _Entity.Sf_framecode DAXX _Entity.Entry_ID 17019 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DAXX _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMGKKCYKLENEKLFEEF LELCKMQTADHPEVVPFLYN RQQRAHSLFLASAEFCNILS RVLSRARSRPAKLYVYINEL CTVLKAHSAKKKLN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 51-144 _Entity.Polymer_author_seq_details 'residues 51-54 are residual from removing the His-tag with thrombin from a pET28a construct' _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10950.916 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17018 . DAXX . . . . . 100.00 94 100.00 100.00 4.50e-61 . . . . 17019 1 2 no PDB 2KZS . "Daxx Helical Bundle (Dhb) Domain" . . . . . 100.00 94 100.00 100.00 4.50e-61 . . . . 17019 1 3 no PDB 2KZU . "Daxx Helical Bundle (Dhb) Domain RASSF1C COMPLEX" . . . . . 100.00 94 100.00 100.00 4.50e-61 . . . . 17019 1 4 no DBJ BAA34295 . "Daxx [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 2.21e-52 . . . . 17019 1 5 no DBJ BAD92730 . "death-associated protein 6 variant [Homo sapiens]" . . . . . 79.79 293 100.00 100.00 8.26e-44 . . . . 17019 1 6 no DBJ BAF84876 . "unnamed protein product [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 1.78e-52 . . . . 17019 1 7 no DBJ BAG35867 . "unnamed protein product [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 1.87e-52 . . . . 17019 1 8 no DBJ BAG64733 . "unnamed protein product [Homo sapiens]" . . . . . 98.94 752 97.85 97.85 3.07e-52 . . . . 17019 1 9 no EMBL CAB09986 . "death-associated protein 6 [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 2.54e-52 . . . . 17019 1 10 no EMBL CAB09989 . "death-associated protein 6 [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 2.54e-52 . . . . 17019 1 11 no EMBL CAG33366 . "DAXX [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 2.21e-52 . . . . 17019 1 12 no GB AAB66585 . "Fas-binding protein Daxx [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 1.41e-52 . . . . 17019 1 13 no GB AAB92671 . "Fas binding protein [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 2.21e-52 . . . . 17019 1 14 no GB AAC39853 . "CENP-C binding protein [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 2.21e-52 . . . . 17019 1 15 no GB AAC72843 . "ETS1 associated protein EAP1/Daxx [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 3.18e-55 . . . . 17019 1 16 no GB AAI09074 . "Death-domain associated protein [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 2.21e-52 . . . . 17019 1 17 no REF NP_001135441 . "death domain-associated protein 6 isoform a [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 2.21e-52 . . . . 17019 1 18 no REF NP_001135442 . "death domain-associated protein 6 isoform b [Homo sapiens]" . . . . . 98.94 752 97.85 97.85 3.07e-52 . . . . 17019 1 19 no REF NP_001241646 . "death domain-associated protein 6 isoform c [Homo sapiens]" . . . . . 73.40 665 100.00 100.00 1.09e-36 . . . . 17019 1 20 no REF NP_001341 . "death domain-associated protein 6 isoform a [Homo sapiens]" . . . . . 98.94 740 97.85 97.85 2.21e-52 . . . . 17019 1 21 no REF XP_001170728 . "PREDICTED: death domain-associated protein 6 isoform X2 [Pan troglodytes]" . . . . . 98.94 742 97.85 97.85 2.46e-52 . . . . 17019 1 22 no SP Q9UER7 . "RecName: Full=Death domain-associated protein 6; AltName: Full=Daxx; Short=hDaxx; AltName: Full=ETS1-associated protein 1; Shor" . . . . . 98.94 740 97.85 97.85 2.21e-52 . . . . 17019 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Protein protein interactions with Rassf1C, p53 and Mdm2' 17019 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 51 GLY . 17019 1 2 52 SER . 17019 1 3 53 HIS . 17019 1 4 54 MET . 17019 1 5 55 GLY . 17019 1 6 56 LYS . 17019 1 7 57 LYS . 17019 1 8 58 CYS . 17019 1 9 59 TYR . 17019 1 10 60 LYS . 17019 1 11 61 LEU . 17019 1 12 62 GLU . 17019 1 13 63 ASN . 17019 1 14 64 GLU . 17019 1 15 65 LYS . 17019 1 16 66 LEU . 17019 1 17 67 PHE . 17019 1 18 68 GLU . 17019 1 19 69 GLU . 17019 1 20 70 PHE . 17019 1 21 71 LEU . 17019 1 22 72 GLU . 17019 1 23 73 LEU . 17019 1 24 74 CYS . 17019 1 25 75 LYS . 17019 1 26 76 MET . 17019 1 27 77 GLN . 17019 1 28 78 THR . 17019 1 29 79 ALA . 17019 1 30 80 ASP . 17019 1 31 81 HIS . 17019 1 32 82 PRO . 17019 1 33 83 GLU . 17019 1 34 84 VAL . 17019 1 35 85 VAL . 17019 1 36 86 PRO . 17019 1 37 87 PHE . 17019 1 38 88 LEU . 17019 1 39 89 TYR . 17019 1 40 90 ASN . 17019 1 41 91 ARG . 17019 1 42 92 GLN . 17019 1 43 93 GLN . 17019 1 44 94 ARG . 17019 1 45 95 ALA . 17019 1 46 96 HIS . 17019 1 47 97 SER . 17019 1 48 98 LEU . 17019 1 49 99 PHE . 17019 1 50 100 LEU . 17019 1 51 101 ALA . 17019 1 52 102 SER . 17019 1 53 103 ALA . 17019 1 54 104 GLU . 17019 1 55 105 PHE . 17019 1 56 106 CYS . 17019 1 57 107 ASN . 17019 1 58 108 ILE . 17019 1 59 109 LEU . 17019 1 60 110 SER . 17019 1 61 111 ARG . 17019 1 62 112 VAL . 17019 1 63 113 LEU . 17019 1 64 114 SER . 17019 1 65 115 ARG . 17019 1 66 116 ALA . 17019 1 67 117 ARG . 17019 1 68 118 SER . 17019 1 69 119 ARG . 17019 1 70 120 PRO . 17019 1 71 121 ALA . 17019 1 72 122 LYS . 17019 1 73 123 LEU . 17019 1 74 124 TYR . 17019 1 75 125 VAL . 17019 1 76 126 TYR . 17019 1 77 127 ILE . 17019 1 78 128 ASN . 17019 1 79 129 GLU . 17019 1 80 130 LEU . 17019 1 81 131 CYS . 17019 1 82 132 THR . 17019 1 83 133 VAL . 17019 1 84 134 LEU . 17019 1 85 135 LYS . 17019 1 86 136 ALA . 17019 1 87 137 HIS . 17019 1 88 138 SER . 17019 1 89 139 ALA . 17019 1 90 140 LYS . 17019 1 91 141 LYS . 17019 1 92 142 LYS . 17019 1 93 143 LEU . 17019 1 94 144 ASN . 17019 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17019 1 . SER 2 2 17019 1 . HIS 3 3 17019 1 . MET 4 4 17019 1 . GLY 5 5 17019 1 . LYS 6 6 17019 1 . LYS 7 7 17019 1 . CYS 8 8 17019 1 . TYR 9 9 17019 1 . LYS 10 10 17019 1 . LEU 11 11 17019 1 . GLU 12 12 17019 1 . ASN 13 13 17019 1 . GLU 14 14 17019 1 . LYS 15 15 17019 1 . LEU 16 16 17019 1 . PHE 17 17 17019 1 . GLU 18 18 17019 1 . GLU 19 19 17019 1 . PHE 20 20 17019 1 . LEU 21 21 17019 1 . GLU 22 22 17019 1 . LEU 23 23 17019 1 . CYS 24 24 17019 1 . LYS 25 25 17019 1 . MET 26 26 17019 1 . GLN 27 27 17019 1 . THR 28 28 17019 1 . ALA 29 29 17019 1 . ASP 30 30 17019 1 . HIS 31 31 17019 1 . PRO 32 32 17019 1 . GLU 33 33 17019 1 . VAL 34 34 17019 1 . VAL 35 35 17019 1 . PRO 36 36 17019 1 . PHE 37 37 17019 1 . LEU 38 38 17019 1 . TYR 39 39 17019 1 . ASN 40 40 17019 1 . ARG 41 41 17019 1 . GLN 42 42 17019 1 . GLN 43 43 17019 1 . ARG 44 44 17019 1 . ALA 45 45 17019 1 . HIS 46 46 17019 1 . SER 47 47 17019 1 . LEU 48 48 17019 1 . PHE 49 49 17019 1 . LEU 50 50 17019 1 . ALA 51 51 17019 1 . SER 52 52 17019 1 . ALA 53 53 17019 1 . GLU 54 54 17019 1 . PHE 55 55 17019 1 . CYS 56 56 17019 1 . ASN 57 57 17019 1 . ILE 58 58 17019 1 . LEU 59 59 17019 1 . SER 60 60 17019 1 . ARG 61 61 17019 1 . VAL 62 62 17019 1 . LEU 63 63 17019 1 . SER 64 64 17019 1 . ARG 65 65 17019 1 . ALA 66 66 17019 1 . ARG 67 67 17019 1 . SER 68 68 17019 1 . ARG 69 69 17019 1 . PRO 70 70 17019 1 . ALA 71 71 17019 1 . LYS 72 72 17019 1 . LEU 73 73 17019 1 . TYR 74 74 17019 1 . VAL 75 75 17019 1 . TYR 76 76 17019 1 . ILE 77 77 17019 1 . ASN 78 78 17019 1 . GLU 79 79 17019 1 . LEU 80 80 17019 1 . CYS 81 81 17019 1 . THR 82 82 17019 1 . VAL 83 83 17019 1 . LEU 84 84 17019 1 . LYS 85 85 17019 1 . ALA 86 86 17019 1 . HIS 87 87 17019 1 . SER 88 88 17019 1 . ALA 89 89 17019 1 . LYS 90 90 17019 1 . LYS 91 91 17019 1 . LYS 92 92 17019 1 . LEU 93 93 17019 1 . ASN 94 94 17019 1 stop_ save_ save_Rassf1C _Entity.Sf_category entity _Entity.Sf_framecode Rassf1C _Entity.Entry_ID 17019 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Rassf1C _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GSQEDSDSELEQYFTARW _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 22-39 _Entity.Polymer_author_seq_details ; residue 22 is residual from removing the GST with thrombin from a PGEX construct Residue 39 is non-native, introduced to quantify the peptide. ; _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2149.186 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KZU . "Daxx Helical Bundle (Dhb) Domain RASSF1C COMPLEX" . . . . . 100.00 18 100.00 100.00 8.08e-03 . . . . 17019 2 2 no DBJ BAF85327 . "unnamed protein product [Homo sapiens]" . . . . . 88.89 269 100.00 100.00 2.17e+00 . . . . 17019 2 3 no GB AAC16001 . "putative tumor suppressor protein [Homo sapiens]" . . . . . 88.89 270 100.00 100.00 2.16e+00 . . . . 17019 2 4 no GB AAC70910 . "ras association (RalGDS/AF-6) domain family 1 protein isoform 1C [Homo sapiens]" . . . . . 88.89 270 100.00 100.00 2.16e+00 . . . . 17019 2 5 no GB AAD30061 . "123F2 protein [Mus musculus]" . . . . . 88.89 270 100.00 100.00 2.01e+00 . . . . 17019 2 6 no GB AAD44175 . "Ras association (RalGDS/AF-6) domain family protein 1C [Homo sapiens]" . . . . . 88.89 270 100.00 100.00 2.16e+00 . . . . 17019 2 7 no GB AAH02173 . "Ras association (RalGDS/AF-6) domain family member 1 [Mus musculus]" . . . . . 88.89 270 100.00 100.00 2.01e+00 . . . . 17019 2 8 no REF NP_001007755 . "ras association domain-containing protein 1 isoform 2 [Rattus norvegicus]" . . . . . 88.89 270 100.00 100.00 1.99e+00 . . . . 17019 2 9 no REF NP_001068910 . "ras association domain-containing protein 1 [Bos taurus]" . . . . . 88.89 272 100.00 100.00 2.17e+00 . . . . 17019 2 10 no REF NP_062687 . "ras association domain-containing protein 1 isoform 2 [Mus musculus]" . . . . . 88.89 270 100.00 100.00 2.01e+00 . . . . 17019 2 11 no REF NP_733831 . "ras association domain-containing protein 1 isoform C [Homo sapiens]" . . . . . 88.89 270 100.00 100.00 2.16e+00 . . . . 17019 2 12 no REF XP_001100583 . "PREDICTED: ras association domain-containing protein 5 isoform 1 [Macaca mulatta]" . . . . . 88.89 474 100.00 100.00 2.17e+00 . . . . 17019 2 13 no TPG DAA16909 . "TPA: Ras association domain family 1 [Bos taurus]" . . . . . 88.89 272 100.00 100.00 2.17e+00 . . . . 17019 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Recognition motif for the DAXX helical bundle (DHB) domain' 17019 2 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 22 GLY . 17019 2 2 23 SER . 17019 2 3 24 GLN . 17019 2 4 25 GLU . 17019 2 5 26 ASP . 17019 2 6 27 SER . 17019 2 7 28 ASP . 17019 2 8 29 SER . 17019 2 9 30 GLU . 17019 2 10 31 LEU . 17019 2 11 32 GLU . 17019 2 12 33 GLN . 17019 2 13 34 TYR . 17019 2 14 35 PHE . 17019 2 15 36 THR . 17019 2 16 37 ALA . 17019 2 17 38 ARG . 17019 2 18 39 TRP . 17019 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17019 2 . SER 2 2 17019 2 . GLN 3 3 17019 2 . GLU 4 4 17019 2 . ASP 5 5 17019 2 . SER 6 6 17019 2 . ASP 7 7 17019 2 . SER 8 8 17019 2 . GLU 9 9 17019 2 . LEU 10 10 17019 2 . GLU 11 11 17019 2 . GLN 12 12 17019 2 . TYR 13 13 17019 2 . PHE 14 14 17019 2 . THR 15 15 17019 2 . ALA 16 16 17019 2 . ARG 17 17 17019 2 . TRP 18 18 17019 2 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 17019 _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 $DAXX . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17019 1 2 2 $Rassf1C . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17019 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 17019 _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 $DAXX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET28a . . . 'cloned with NdeI XhoI' . . 17019 1 2 1 $DAXX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . PGEX-2T . . . 'cloned with BamHI EcoRI' . . 17019 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Dr _Sample.Sf_category sample _Sample.Sf_framecode Dr _Sample.Entry_ID 17019 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DAXX '[U-100% 13C; U-100% 15N]' . . 1 $DAXX . . 1.1 . . mM . . . . 17019 1 2 Rassf1C 'natural abundance' . . 2 $Rassf1C . . 1.65 . . mM . . . . 17019 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17019 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17019 1 stop_ save_ save_Rd _Sample.Sf_category sample _Sample.Sf_framecode Rd _Sample.Entry_ID 17019 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DAXX 'natural abundance' . . 1 $DAXX . . 1.8 . . mM . . . . 17019 2 2 Rassf1C '[U-100% 13C; U-100% 15N]' . . 2 $Rassf1C . . 1.2 . . mM . . . . 17019 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17019 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17019 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17019 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 17019 1 pH 6.5 . pH 17019 1 pressure 1 . atm 17019 1 temperature 298 . K 17019 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17019 _Software.ID 1 _Software.Name ARIA _Software.Version 2.2 _Software.Details 'CNS 1.2' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17019 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17019 1 'semi automatic peak assignments' 17019 1 'structure solution' 17019 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_raven _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode raven _NMR_spectrometer.Entry_ID 17019 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 17019 _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 raven Varian Unity . 600 . . . 17019 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 17019 _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 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 4 '3D HNCACB' no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 8 (H)CC(CO)NH-TOCSY no . . . . . . . . . . 1 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 9 HCC(CO)NH-TOCSY no . . . . . . . . . . 1 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 10 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 11 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 14 '13C/15N isotope-filtered NOESY-HSQC' no . . . . . . . . . . 1 $Dr isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 15 '13C/15N isotope-filtered NOESY-HSQC' no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 17 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 18 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 19 (H)CC(CO)NH-TOCSY no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 20 HCC(CO)NH-TOCSY no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 21 (HB)CB(CGCD)HD no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 22 (HB)CB(CGCD)HD-TOCSY no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 23 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $Rd isotropic . . 1 $sample_conditions_1 . . . 1 $raven . . . . . . . . . . . . . . . . 17019 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17019 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17019 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . . . . . 17019 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17019 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17019 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17019 1 2 '2D 1H-15N HSQC' . . . 17019 1 3 '3D CBCA(CO)NH' . . . 17019 1 4 '3D HNCACB' . . . 17019 1 5 '3D CBCA(CO)NH' . . . 17019 1 6 '3D HCCH-TOCSY' . . . 17019 1 7 '2D 1H-13C HSQC' . . . 17019 1 8 (H)CC(CO)NH-TOCSY . . . 17019 1 9 HCC(CO)NH-TOCSY . . . 17019 1 10 (HB)CB(CGCD)HD . . . 17019 1 11 (HB)CB(CGCDCE)HE . . . 17019 1 12 '3D 1H-15N NOESY' . . . 17019 1 13 '3D 1H-13C NOESY' . . . 17019 1 14 '13C/15N isotope-filtered NOESY-HSQC' . . . 17019 1 15 '13C/15N isotope-filtered NOESY-HSQC' . . . 17019 1 16 '3D 1H-15N NOESY' . . . 17019 1 17 '3D 1H-13C NOESY' . . . 17019 1 18 '2D 1H-13C HSQC' . . . 17019 1 19 (H)CC(CO)NH-TOCSY . . . 17019 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HA H 1 4.662 0.026 . 1 . . . . 53 H HA . 17019 1 2 . 1 1 3 3 HIS HD2 H 1 7.043 0.005 . 1 . . . . 53 H HD2 . 17019 1 3 . 1 1 3 3 HIS HE1 H 1 7.946 0.001 . 1 . . . . 53 H HE1 . 17019 1 4 . 1 1 3 3 HIS CA C 13 56.381 0.015 . 1 . . . . 53 H CA . 17019 1 5 . 1 1 3 3 HIS CB C 13 30.527 0.004 . 1 . . . . 53 H CB . 17019 1 6 . 1 1 3 3 HIS CD2 C 13 119.929 0.027 . 1 . . . . 53 H CD2 . 17019 1 7 . 1 1 3 3 HIS CE1 C 13 138.139 0.030 . 1 . . . . 53 H CE1 . 17019 1 8 . 1 1 4 4 MET H H 1 8.398 0.002 . 1 . . . . 54 M HN . 17019 1 9 . 1 1 4 4 MET HA H 1 4.452 0.023 . 1 . . . . 54 M HA . 17019 1 10 . 1 1 4 4 MET HB2 H 1 2.110 0.020 . 2 . . . . 54 M HB2 . 17019 1 11 . 1 1 4 4 MET HB3 H 1 1.981 0.020 . 2 . . . . 54 M HB3 . 17019 1 12 . 1 1 4 4 MET HE1 H 1 2.053 0.001 . 1 . . . . 54 M QE . 17019 1 13 . 1 1 4 4 MET HE2 H 1 2.053 0.001 . 1 . . . . 54 M QE . 17019 1 14 . 1 1 4 4 MET HE3 H 1 2.053 0.001 . 1 . . . . 54 M QE . 17019 1 15 . 1 1 4 4 MET HG2 H 1 2.510 0.001 . 2 . . . . 54 M HG2 . 17019 1 16 . 1 1 4 4 MET HG3 H 1 2.452 0.031 . 2 . . . . 54 M HG3 . 17019 1 17 . 1 1 4 4 MET CA C 13 55.575 0.016 . 1 . . . . 54 M CA . 17019 1 18 . 1 1 4 4 MET CB C 13 32.650 0.063 . 1 . . . . 54 M CB . 17019 1 19 . 1 1 4 4 MET CE C 13 16.870 0.200 . 1 . . . . 54 M CE . 17019 1 20 . 1 1 4 4 MET CG C 13 31.924 0.031 . 1 . . . . 54 M CG . 17019 1 21 . 1 1 4 4 MET N N 15 122.009 0.024 . 1 . . . . 54 M N . 17019 1 22 . 1 1 5 5 GLY H H 1 8.415 0.003 . 1 . . . . 55 G HN . 17019 1 23 . 1 1 5 5 GLY HA2 H 1 3.942 0.017 . 2 . . . . 55 G QA . 17019 1 24 . 1 1 5 5 GLY HA3 H 1 3.942 0.017 . 2 . . . . 55 G QA . 17019 1 25 . 1 1 5 5 GLY CA C 13 45.291 0.052 . 1 . . . . 55 G CA . 17019 1 26 . 1 1 5 5 GLY N N 15 110.056 0.072 . 1 . . . . 55 G N . 17019 1 27 . 1 1 6 6 LYS H H 1 8.130 0.009 . 1 . . . . 56 K HN . 17019 1 28 . 1 1 6 6 LYS HA H 1 4.331 0.021 . 1 . . . . 56 K HA . 17019 1 29 . 1 1 6 6 LYS HB2 H 1 1.793 0.005 . 2 . . . . 56 K HB2 . 17019 1 30 . 1 1 6 6 LYS HB3 H 1 1.664 0.024 . 2 . . . . 56 K HB3 . 17019 1 31 . 1 1 6 6 LYS HG2 H 1 1.381 0.004 . 2 . . . . 56 K QG . 17019 1 32 . 1 1 6 6 LYS HG3 H 1 1.381 0.004 . 2 . . . . 56 K QG . 17019 1 33 . 1 1 6 6 LYS CA C 13 56.201 0.001 . 1 . . . . 56 K CA . 17019 1 34 . 1 1 6 6 LYS CB C 13 33.300 0.038 . 1 . . . . 56 K CB . 17019 1 35 . 1 1 6 6 LYS CD C 13 29.298 0.200 . 1 . . . . 56 K CD . 17019 1 36 . 1 1 6 6 LYS CE C 13 42.198 0.200 . 1 . . . . 56 K CE . 17019 1 37 . 1 1 6 6 LYS CG C 13 24.920 0.071 . 1 . . . . 56 K CG . 17019 1 38 . 1 1 6 6 LYS N N 15 121.054 0.105 . 1 . . . . 56 K N . 17019 1 39 . 1 1 7 7 LYS H H 1 8.338 0.005 . 1 . . . . 57 K HN . 17019 1 40 . 1 1 7 7 LYS HA H 1 4.234 0.020 . 1 . . . . 57 K HA . 17019 1 41 . 1 1 7 7 LYS HB2 H 1 1.634 0.016 . 2 . . . . 57 K QB . 17019 1 42 . 1 1 7 7 LYS HB3 H 1 1.634 0.016 . 2 . . . . 57 K QB . 17019 1 43 . 1 1 7 7 LYS HD2 H 1 1.494 0.009 . 2 . . . . 57 K QD . 17019 1 44 . 1 1 7 7 LYS HD3 H 1 1.494 0.009 . 2 . . . . 57 K QD . 17019 1 45 . 1 1 7 7 LYS HE2 H 1 2.706 0.021 . 2 . . . . 57 K HE2 . 17019 1 46 . 1 1 7 7 LYS HE3 H 1 2.672 0.018 . 2 . . . . 57 K HE3 . 17019 1 47 . 1 1 7 7 LYS HG2 H 1 1.169 0.003 . 2 . . . . 57 K HG2 . 17019 1 48 . 1 1 7 7 LYS HG3 H 1 1.005 0.011 . 2 . . . . 57 K HG3 . 17019 1 49 . 1 1 7 7 LYS CA C 13 56.385 0.076 . 1 . . . . 57 K CA . 17019 1 50 . 1 1 7 7 LYS CB C 13 33.519 0.073 . 1 . . . . 57 K CB . 17019 1 51 . 1 1 7 7 LYS CD C 13 29.080 0.040 . 1 . . . . 57 K CD . 17019 1 52 . 1 1 7 7 LYS CE C 13 42.212 0.043 . 1 . . . . 57 K CE . 17019 1 53 . 1 1 7 7 LYS CG C 13 24.932 0.092 . 1 . . . . 57 K CG . 17019 1 54 . 1 1 7 7 LYS N N 15 123.083 0.066 . 1 . . . . 57 K N . 17019 1 55 . 1 1 8 8 CYS H H 1 8.201 0.006 . 1 . . . . 58 C HN . 17019 1 56 . 1 1 8 8 CYS HA H 1 4.554 0.024 . 1 . . . . 58 C HA . 17019 1 57 . 1 1 8 8 CYS HB2 H 1 2.866 0.024 . 2 . . . . 58 C QB . 17019 1 58 . 1 1 8 8 CYS HB3 H 1 2.866 0.024 . 2 . . . . 58 C QB . 17019 1 59 . 1 1 8 8 CYS CA C 13 59.537 0.110 . 1 . . . . 58 C CA . 17019 1 60 . 1 1 8 8 CYS CB C 13 29.388 0.068 . 1 . . . . 58 C CB . 17019 1 61 . 1 1 8 8 CYS N N 15 124.093 0.061 . 1 . . . . 58 C N . 17019 1 62 . 1 1 9 9 TYR H H 1 8.392 0.005 . 1 . . . . 59 Y HN . 17019 1 63 . 1 1 9 9 TYR HA H 1 4.576 0.034 . 1 . . . . 59 Y HA . 17019 1 64 . 1 1 9 9 TYR HB2 H 1 3.154 0.006 . 2 . . . . 59 Y HB2 . 17019 1 65 . 1 1 9 9 TYR HB3 H 1 2.344 0.007 . 2 . . . . 59 Y HB3 . 17019 1 66 . 1 1 9 9 TYR HD1 H 1 7.110 0.005 . 3 . . . . 59 Y QD . 17019 1 67 . 1 1 9 9 TYR HD2 H 1 7.110 0.005 . 3 . . . . 59 Y QD . 17019 1 68 . 1 1 9 9 TYR HE1 H 1 6.798 0.013 . 3 . . . . 59 Y QE . 17019 1 69 . 1 1 9 9 TYR HE2 H 1 6.798 0.013 . 3 . . . . 59 Y QE . 17019 1 70 . 1 1 9 9 TYR CA C 13 59.498 0.116 . 1 . . . . 59 Y CA . 17019 1 71 . 1 1 9 9 TYR CB C 13 37.832 0.086 . 1 . . . . 59 Y CB . 17019 1 72 . 1 1 9 9 TYR CD1 C 13 133.089 0.121 . 3 . . . . 59 Y CD1 . 17019 1 73 . 1 1 9 9 TYR CE1 C 13 117.959 0.103 . 3 . . . . 59 Y CE1 . 17019 1 74 . 1 1 9 9 TYR N N 15 126.792 0.025 . 1 . . . . 59 Y N . 17019 1 75 . 1 1 10 10 LYS H H 1 9.129 0.006 . 1 . . . . 60 K HN . 17019 1 76 . 1 1 10 10 LYS HA H 1 3.959 0.017 . 1 . . . . 60 K HA . 17019 1 77 . 1 1 10 10 LYS HB2 H 1 1.872 0.007 . 2 . . . . 60 K HB2 . 17019 1 78 . 1 1 10 10 LYS HB3 H 1 1.826 0.012 . 2 . . . . 60 K HB3 . 17019 1 79 . 1 1 10 10 LYS HG2 H 1 1.246 0.020 . 2 . . . . 60 K QG . 17019 1 80 . 1 1 10 10 LYS HG3 H 1 1.246 0.020 . 2 . . . . 60 K QG . 17019 1 81 . 1 1 10 10 LYS CA C 13 61.940 0.124 . 1 . . . . 60 K CA . 17019 1 82 . 1 1 10 10 LYS CB C 13 33.894 0.071 . 1 . . . . 60 K CB . 17019 1 83 . 1 1 10 10 LYS CE C 13 42.350 0.200 . 1 . . . . 60 K CE . 17019 1 84 . 1 1 10 10 LYS CG C 13 24.937 0.200 . 1 . . . . 60 K CG . 17019 1 85 . 1 1 10 10 LYS N N 15 123.912 0.091 . 1 . . . . 60 K N . 17019 1 86 . 1 1 11 11 LEU H H 1 8.398 0.005 . 1 . . . . 61 L HN . 17019 1 87 . 1 1 11 11 LEU HA H 1 4.147 0.028 . 1 . . . . 61 L HA . 17019 1 88 . 1 1 11 11 LEU HB2 H 1 1.699 0.025 . 2 . . . . 61 L HB2 . 17019 1 89 . 1 1 11 11 LEU HB3 H 1 1.545 0.021 . 2 . . . . 61 L HB3 . 17019 1 90 . 1 1 11 11 LEU HD11 H 1 0.935 0.004 . . . . . . 61 L QD1 . 17019 1 91 . 1 1 11 11 LEU HD12 H 1 0.935 0.004 . . . . . . 61 L QD1 . 17019 1 92 . 1 1 11 11 LEU HD13 H 1 0.935 0.004 . . . . . . 61 L QD1 . 17019 1 93 . 1 1 11 11 LEU HD21 H 1 0.870 0.011 . . . . . . 61 L QD2 . 17019 1 94 . 1 1 11 11 LEU HD22 H 1 0.870 0.011 . . . . . . 61 L QD2 . 17019 1 95 . 1 1 11 11 LEU HD23 H 1 0.870 0.011 . . . . . . 61 L QD2 . 17019 1 96 . 1 1 11 11 LEU HG H 1 1.662 0.012 . 1 . . . . 61 L HG . 17019 1 97 . 1 1 11 11 LEU CA C 13 58.025 0.023 . 1 . . . . 61 L CA . 17019 1 98 . 1 1 11 11 LEU CB C 13 41.305 0.040 . 1 . . . . 61 L CB . 17019 1 99 . 1 1 11 11 LEU CD1 C 13 24.911 0.105 . 2 . . . . 61 L CD1 . 17019 1 100 . 1 1 11 11 LEU CD2 C 13 23.688 0.084 . 2 . . . . 61 L CD2 . 17019 1 101 . 1 1 11 11 LEU CG C 13 27.428 0.067 . 1 . . . . 61 L CG . 17019 1 102 . 1 1 11 11 LEU N N 15 118.161 0.047 . 1 . . . . 61 L N . 17019 1 103 . 1 1 12 12 GLU H H 1 8.629 0.005 . 1 . . . . 62 E HN . 17019 1 104 . 1 1 12 12 GLU HA H 1 3.941 0.022 . 1 . . . . 62 E HA . 17019 1 105 . 1 1 12 12 GLU HB2 H 1 2.123 0.021 . 2 . . . . 62 E HB2 . 17019 1 106 . 1 1 12 12 GLU HB3 H 1 1.901 0.007 . 2 . . . . 62 E HB3 . 17019 1 107 . 1 1 12 12 GLU HG2 H 1 2.411 0.005 . 2 . . . . 62 E HG2 . 17019 1 108 . 1 1 12 12 GLU HG3 H 1 2.243 0.004 . 2 . . . . 62 E HG3 . 17019 1 109 . 1 1 12 12 GLU CA C 13 60.195 0.029 . 1 . . . . 62 E CA . 17019 1 110 . 1 1 12 12 GLU CB C 13 29.258 0.083 . 1 . . . . 62 E CB . 17019 1 111 . 1 1 12 12 GLU CG C 13 36.484 0.046 . 1 . . . . 62 E CG . 17019 1 112 . 1 1 12 12 GLU N N 15 122.191 0.031 . 1 . . . . 62 E N . 17019 1 113 . 1 1 13 13 ASN H H 1 8.948 0.007 . 1 . . . . 63 N HN . 17019 1 114 . 1 1 13 13 ASN HA H 1 4.357 0.015 . 1 . . . . 63 N HA . 17019 1 115 . 1 1 13 13 ASN HB2 H 1 3.073 0.022 . 2 . . . . 63 N HB2 . 17019 1 116 . 1 1 13 13 ASN HB3 H 1 2.422 0.017 . 2 . . . . 63 N HB3 . 17019 1 117 . 1 1 13 13 ASN HD21 H 1 6.865 0.008 . 2 . . . . 63 N HD21 . 17019 1 118 . 1 1 13 13 ASN HD22 H 1 6.342 0.007 . 2 . . . . 63 N HD22 . 17019 1 119 . 1 1 13 13 ASN CA C 13 55.215 0.082 . 1 . . . . 63 N CA . 17019 1 120 . 1 1 13 13 ASN CB C 13 37.443 0.066 . 1 . . . . 63 N CB . 17019 1 121 . 1 1 13 13 ASN N N 15 118.685 0.065 . 1 . . . . 63 N N . 17019 1 122 . 1 1 13 13 ASN ND2 N 15 103.295 0.122 . 1 . . . . 63 N ND2 . 17019 1 123 . 1 1 14 14 GLU H H 1 8.276 0.005 . 1 . . . . 64 E HN . 17019 1 124 . 1 1 14 14 GLU HA H 1 4.106 0.016 . 1 . . . . 64 E HA . 17019 1 125 . 1 1 14 14 GLU HB2 H 1 2.281 0.020 . 2 . . . . 64 E HB2 . 17019 1 126 . 1 1 14 14 GLU HB3 H 1 2.108 0.020 . 2 . . . . 64 E HB3 . 17019 1 127 . 1 1 14 14 GLU HG2 H 1 2.656 0.002 . 2 . . . . 64 E HG2 . 17019 1 128 . 1 1 14 14 GLU HG3 H 1 2.279 0.003 . 2 . . . . 64 E HG3 . 17019 1 129 . 1 1 14 14 GLU CA C 13 60.268 0.068 . 1 . . . . 64 E CA . 17019 1 130 . 1 1 14 14 GLU CB C 13 29.335 0.119 . 1 . . . . 64 E CB . 17019 1 131 . 1 1 14 14 GLU CG C 13 37.029 0.063 . 1 . . . . 64 E CG . 17019 1 132 . 1 1 14 14 GLU N N 15 123.767 0.041 . 1 . . . . 64 E N . 17019 1 133 . 1 1 15 15 LYS H H 1 7.818 0.008 . 1 . . . . 65 K HN . 17019 1 134 . 1 1 15 15 LYS HA H 1 4.154 0.016 . 1 . . . . 65 K HA . 17019 1 135 . 1 1 15 15 LYS HB2 H 1 1.996 0.020 . 2 . . . . 65 K QB . 17019 1 136 . 1 1 15 15 LYS HB3 H 1 1.996 0.020 . 2 . . . . 65 K QB . 17019 1 137 . 1 1 15 15 LYS HG2 H 1 1.587 0.010 . 2 . . . . 65 K HG2 . 17019 1 138 . 1 1 15 15 LYS HG3 H 1 1.476 0.048 . 2 . . . . 65 K HG3 . 17019 1 139 . 1 1 15 15 LYS CA C 13 59.357 0.021 . 1 . . . . 65 K CA . 17019 1 140 . 1 1 15 15 LYS CB C 13 32.172 0.085 . 1 . . . . 65 K CB . 17019 1 141 . 1 1 15 15 LYS CE C 13 42.157 0.200 . 1 . . . . 65 K CE . 17019 1 142 . 1 1 15 15 LYS CG C 13 24.887 0.057 . 1 . . . . 65 K CG . 17019 1 143 . 1 1 15 15 LYS N N 15 120.507 0.047 . 1 . . . . 65 K N . 17019 1 144 . 1 1 16 16 LEU H H 1 8.509 0.013 . 1 . . . . 66 L HN . 17019 1 145 . 1 1 16 16 LEU HA H 1 4.087 0.020 . 1 . . . . 66 L HA . 17019 1 146 . 1 1 16 16 LEU HB2 H 1 1.918 0.032 . 2 . . . . 66 L HB2 . 17019 1 147 . 1 1 16 16 LEU HB3 H 1 1.156 0.015 . 2 . . . . 66 L HB3 . 17019 1 148 . 1 1 16 16 LEU HD11 H 1 0.877 0.013 . . . . . . 66 L QD1 . 17019 1 149 . 1 1 16 16 LEU HD12 H 1 0.877 0.013 . . . . . . 66 L QD1 . 17019 1 150 . 1 1 16 16 LEU HD13 H 1 0.877 0.013 . . . . . . 66 L QD1 . 17019 1 151 . 1 1 16 16 LEU HD21 H 1 0.773 0.010 . . . . . . 66 L QD2 . 17019 1 152 . 1 1 16 16 LEU HD22 H 1 0.773 0.010 . . . . . . 66 L QD2 . 17019 1 153 . 1 1 16 16 LEU HD23 H 1 0.773 0.010 . . . . . . 66 L QD2 . 17019 1 154 . 1 1 16 16 LEU HG H 1 1.864 0.019 . 1 . . . . 66 L HG . 17019 1 155 . 1 1 16 16 LEU CA C 13 57.863 0.019 . 1 . . . . 66 L CA . 17019 1 156 . 1 1 16 16 LEU CB C 13 43.768 0.044 . 1 . . . . 66 L CB . 17019 1 157 . 1 1 16 16 LEU CD1 C 13 27.379 0.062 . 2 . . . . 66 L CD1 . 17019 1 158 . 1 1 16 16 LEU CD2 C 13 23.087 0.101 . 2 . . . . 66 L CD2 . 17019 1 159 . 1 1 16 16 LEU CG C 13 27.384 0.083 . 1 . . . . 66 L CG . 17019 1 160 . 1 1 16 16 LEU N N 15 120.059 0.094 . 1 . . . . 66 L N . 17019 1 161 . 1 1 17 17 PHE H H 1 8.542 0.009 . 1 . . . . 67 F HN . 17019 1 162 . 1 1 17 17 PHE HA H 1 4.070 0.023 . 1 . . . . 67 F HA . 17019 1 163 . 1 1 17 17 PHE HB2 H 1 3.211 0.030 . 2 . . . . 67 F QB . 17019 1 164 . 1 1 17 17 PHE HB3 H 1 3.211 0.030 . 2 . . . . 67 F QB . 17019 1 165 . 1 1 17 17 PHE HD1 H 1 7.306 0.005 . 3 . . . . 67 F QD . 17019 1 166 . 1 1 17 17 PHE HD2 H 1 7.306 0.005 . 3 . . . . 67 F QD . 17019 1 167 . 1 1 17 17 PHE HE1 H 1 7.202 0.013 . 3 . . . . 67 F QE . 17019 1 168 . 1 1 17 17 PHE HE2 H 1 7.202 0.013 . 3 . . . . 67 F QE . 17019 1 169 . 1 1 17 17 PHE HZ H 1 7.079 0.010 . 1 . . . . 67 F HZ . 17019 1 170 . 1 1 17 17 PHE CA C 13 62.573 0.031 . 1 . . . . 67 F CA . 17019 1 171 . 1 1 17 17 PHE CB C 13 39.233 0.140 . 1 . . . . 67 F CB . 17019 1 172 . 1 1 17 17 PHE CD1 C 13 131.661 0.157 . 3 . . . . 67 F CD1 . 17019 1 173 . 1 1 17 17 PHE CE1 C 13 130.373 0.055 . 3 . . . . 67 F CE1 . 17019 1 174 . 1 1 17 17 PHE CZ C 13 129.429 0.065 . 1 . . . . 67 F CZ . 17019 1 175 . 1 1 17 17 PHE N N 15 119.588 0.138 . 1 . . . . 67 F N . 17019 1 176 . 1 1 18 18 GLU H H 1 8.288 0.011 . 1 . . . . 68 E HN . 17019 1 177 . 1 1 18 18 GLU HA H 1 3.982 0.025 . 1 . . . . 68 E HA . 17019 1 178 . 1 1 18 18 GLU HB2 H 1 2.266 0.015 . 2 . . . . 68 E QB . 17019 1 179 . 1 1 18 18 GLU HB3 H 1 2.266 0.015 . 2 . . . . 68 E QB . 17019 1 180 . 1 1 18 18 GLU HG2 H 1 2.544 0.021 . 2 . . . . 68 E HG2 . 17019 1 181 . 1 1 18 18 GLU HG3 H 1 2.420 0.017 . 2 . . . . 68 E HG3 . 17019 1 182 . 1 1 18 18 GLU CA C 13 59.926 0.064 . 1 . . . . 68 E CA . 17019 1 183 . 1 1 18 18 GLU CB C 13 29.229 0.133 . 1 . . . . 68 E CB . 17019 1 184 . 1 1 18 18 GLU CG C 13 36.445 0.101 . 1 . . . . 68 E CG . 17019 1 185 . 1 1 18 18 GLU N N 15 118.578 0.023 . 1 . . . . 68 E N . 17019 1 186 . 1 1 19 19 GLU H H 1 8.152 0.007 . 1 . . . . 69 E HN . 17019 1 187 . 1 1 19 19 GLU HA H 1 3.986 0.022 . 1 . . . . 69 E HA . 17019 1 188 . 1 1 19 19 GLU HB2 H 1 2.304 0.031 . 2 . . . . 69 E HB2 . 17019 1 189 . 1 1 19 19 GLU HB3 H 1 2.096 0.010 . 2 . . . . 69 E HB3 . 17019 1 190 . 1 1 19 19 GLU HG2 H 1 2.517 0.006 . 2 . . . . 69 E HG2 . 17019 1 191 . 1 1 19 19 GLU HG3 H 1 2.115 0.007 . 2 . . . . 69 E HG3 . 17019 1 192 . 1 1 19 19 GLU CA C 13 60.031 0.052 . 1 . . . . 69 E CA . 17019 1 193 . 1 1 19 19 GLU CB C 13 29.600 0.067 . 1 . . . . 69 E CB . 17019 1 194 . 1 1 19 19 GLU CG C 13 36.919 0.087 . 1 . . . . 69 E CG . 17019 1 195 . 1 1 19 19 GLU N N 15 120.379 0.062 . 1 . . . . 69 E N . 17019 1 196 . 1 1 20 20 PHE H H 1 8.433 0.006 . 1 . . . . 70 F HN . 17019 1 197 . 1 1 20 20 PHE HA H 1 4.034 0.016 . 1 . . . . 70 F HA . 17019 1 198 . 1 1 20 20 PHE HB2 H 1 2.938 0.020 . 2 . . . . 70 F QB . 17019 1 199 . 1 1 20 20 PHE HB3 H 1 2.938 0.020 . 2 . . . . 70 F QB . 17019 1 200 . 1 1 20 20 PHE HD1 H 1 6.761 0.004 . 3 . . . . 70 F QD . 17019 1 201 . 1 1 20 20 PHE HD2 H 1 6.761 0.004 . 3 . . . . 70 F QD . 17019 1 202 . 1 1 20 20 PHE HE1 H 1 6.900 0.013 . 3 . . . . 70 F QE . 17019 1 203 . 1 1 20 20 PHE HE2 H 1 6.900 0.013 . 3 . . . . 70 F QE . 17019 1 204 . 1 1 20 20 PHE HZ H 1 6.765 0.003 . 1 . . . . 70 F HZ . 17019 1 205 . 1 1 20 20 PHE CA C 13 61.889 0.084 . 1 . . . . 70 F CA . 17019 1 206 . 1 1 20 20 PHE CB C 13 38.681 0.128 . 1 . . . . 70 F CB . 17019 1 207 . 1 1 20 20 PHE CD1 C 13 130.549 0.117 . 3 . . . . 70 F CD1 . 17019 1 208 . 1 1 20 20 PHE CE1 C 13 130.879 0.121 . 3 . . . . 70 F CE1 . 17019 1 209 . 1 1 20 20 PHE CZ C 13 128.514 0.085 . 1 . . . . 70 F CZ . 17019 1 210 . 1 1 20 20 PHE N N 15 121.586 0.029 . 1 . . . . 70 F N . 17019 1 211 . 1 1 21 21 LEU H H 1 8.879 0.006 . 1 . . . . 71 L HN . 17019 1 212 . 1 1 21 21 LEU HA H 1 3.546 0.016 . 1 . . . . 71 L HA . 17019 1 213 . 1 1 21 21 LEU HB2 H 1 1.676 0.016 . 2 . . . . 71 L HB2 . 17019 1 214 . 1 1 21 21 LEU HB3 H 1 1.395 0.007 . 2 . . . . 71 L HB3 . 17019 1 215 . 1 1 21 21 LEU HD11 H 1 0.693 0.011 . . . . . . 71 L QD1 . 17019 1 216 . 1 1 21 21 LEU HD12 H 1 0.693 0.011 . . . . . . 71 L QD1 . 17019 1 217 . 1 1 21 21 LEU HD13 H 1 0.693 0.011 . . . . . . 71 L QD1 . 17019 1 218 . 1 1 21 21 LEU HD21 H 1 0.553 0.006 . . . . . . 71 L QD2 . 17019 1 219 . 1 1 21 21 LEU HD22 H 1 0.553 0.006 . . . . . . 71 L QD2 . 17019 1 220 . 1 1 21 21 LEU HD23 H 1 0.553 0.006 . . . . . . 71 L QD2 . 17019 1 221 . 1 1 21 21 LEU HG H 1 1.325 0.029 . 1 . . . . 71 L HG . 17019 1 222 . 1 1 21 21 LEU CA C 13 57.761 0.038 . 1 . . . . 71 L CA . 17019 1 223 . 1 1 21 21 LEU CB C 13 40.971 0.055 . 1 . . . . 71 L CB . 17019 1 224 . 1 1 21 21 LEU CD1 C 13 25.939 0.108 . 2 . . . . 71 L CD1 . 17019 1 225 . 1 1 21 21 LEU CD2 C 13 24.014 0.086 . 2 . . . . 71 L CD2 . 17019 1 226 . 1 1 21 21 LEU CG C 13 26.943 0.032 . 1 . . . . 71 L CG . 17019 1 227 . 1 1 21 21 LEU N N 15 122.325 0.060 . 1 . . . . 71 L N . 17019 1 228 . 1 1 22 22 GLU H H 1 8.242 0.008 . 1 . . . . 72 E HN . 17019 1 229 . 1 1 22 22 GLU HA H 1 3.857 0.021 . 1 . . . . 72 E HA . 17019 1 230 . 1 1 22 22 GLU HB2 H 1 2.091 0.026 . 2 . . . . 72 E QB . 17019 1 231 . 1 1 22 22 GLU HB3 H 1 2.091 0.026 . 2 . . . . 72 E QB . 17019 1 232 . 1 1 22 22 GLU HG2 H 1 2.321 0.013 . 2 . . . . 72 E QG . 17019 1 233 . 1 1 22 22 GLU HG3 H 1 2.321 0.013 . 2 . . . . 72 E QG . 17019 1 234 . 1 1 22 22 GLU CA C 13 59.643 0.099 . 1 . . . . 72 E CA . 17019 1 235 . 1 1 22 22 GLU CB C 13 29.100 0.043 . 1 . . . . 72 E CB . 17019 1 236 . 1 1 22 22 GLU CG C 13 36.185 0.070 . 1 . . . . 72 E CG . 17019 1 237 . 1 1 22 22 GLU N N 15 119.557 0.074 . 1 . . . . 72 E N . 17019 1 238 . 1 1 23 23 LEU H H 1 7.339 0.011 . 1 . . . . 73 L HN . 17019 1 239 . 1 1 23 23 LEU HA H 1 4.045 0.020 . 1 . . . . 73 L HA . 17019 1 240 . 1 1 23 23 LEU HB2 H 1 1.645 0.010 . 2 . . . . 73 L QB . 17019 1 241 . 1 1 23 23 LEU HB3 H 1 1.645 0.010 . 2 . . . . 73 L QB . 17019 1 242 . 1 1 23 23 LEU HD11 H 1 0.839 0.005 . . . . . . 73 L QD1 . 17019 1 243 . 1 1 23 23 LEU HD12 H 1 0.839 0.005 . . . . . . 73 L QD1 . 17019 1 244 . 1 1 23 23 LEU HD13 H 1 0.839 0.005 . . . . . . 73 L QD1 . 17019 1 245 . 1 1 23 23 LEU HD21 H 1 0.718 0.013 . . . . . . 73 L QD2 . 17019 1 246 . 1 1 23 23 LEU HD22 H 1 0.718 0.013 . . . . . . 73 L QD2 . 17019 1 247 . 1 1 23 23 LEU HD23 H 1 0.718 0.013 . . . . . . 73 L QD2 . 17019 1 248 . 1 1 23 23 LEU HG H 1 1.598 0.018 . 1 . . . . 73 L HG . 17019 1 249 . 1 1 23 23 LEU CA C 13 58.420 0.076 . 1 . . . . 73 L CA . 17019 1 250 . 1 1 23 23 LEU CB C 13 41.421 0.029 . 1 . . . . 73 L CB . 17019 1 251 . 1 1 23 23 LEU CD1 C 13 26.009 0.070 . 2 . . . . 73 L CD1 . 17019 1 252 . 1 1 23 23 LEU CD2 C 13 25.416 0.091 . 2 . . . . 73 L CD2 . 17019 1 253 . 1 1 23 23 LEU CG C 13 27.190 0.136 . 1 . . . . 73 L CG . 17019 1 254 . 1 1 23 23 LEU N N 15 120.990 0.046 . 1 . . . . 73 L N . 17019 1 255 . 1 1 24 24 CYS H H 1 7.922 0.006 . 1 . . . . 74 C HN . 17019 1 256 . 1 1 24 24 CYS HA H 1 3.696 0.004 . 1 . . . . 74 C HA . 17019 1 257 . 1 1 24 24 CYS HB2 H 1 2.944 0.007 . 2 . . . . 74 C HB2 . 17019 1 258 . 1 1 24 24 CYS HB3 H 1 2.029 0.004 . 2 . . . . 74 C HB3 . 17019 1 259 . 1 1 24 24 CYS CA C 13 63.944 0.068 . 1 . . . . 74 C CA . 17019 1 260 . 1 1 24 24 CYS CB C 13 26.782 0.086 . 1 . . . . 74 C CB . 17019 1 261 . 1 1 24 24 CYS N N 15 116.340 0.042 . 1 . . . . 74 C N . 17019 1 262 . 1 1 25 25 LYS H H 1 8.800 0.008 . 1 . . . . 75 K HN . 17019 1 263 . 1 1 25 25 LYS HA H 1 3.764 0.025 . 1 . . . . 75 K HA . 17019 1 264 . 1 1 25 25 LYS HB2 H 1 1.868 0.014 . 2 . . . . 75 K QB . 17019 1 265 . 1 1 25 25 LYS HB3 H 1 1.868 0.014 . 2 . . . . 75 K QB . 17019 1 266 . 1 1 25 25 LYS HD2 H 1 1.639 0.028 . 2 . . . . 75 K HD2 . 17019 1 267 . 1 1 25 25 LYS HD3 H 1 1.596 0.023 . 2 . . . . 75 K HD3 . 17019 1 268 . 1 1 25 25 LYS HE2 H 1 2.904 0.018 . 2 . . . . 75 K HE2 . 17019 1 269 . 1 1 25 25 LYS HE3 H 1 2.737 0.013 . 2 . . . . 75 K HE3 . 17019 1 270 . 1 1 25 25 LYS HG2 H 1 1.559 0.013 . 2 . . . . 75 K HG2 . 17019 1 271 . 1 1 25 25 LYS HG3 H 1 1.427 0.052 . 2 . . . . 75 K HG3 . 17019 1 272 . 1 1 25 25 LYS CA C 13 60.158 0.046 . 1 . . . . 75 K CA . 17019 1 273 . 1 1 25 25 LYS CB C 13 32.658 0.077 . 1 . . . . 75 K CB . 17019 1 274 . 1 1 25 25 LYS CD C 13 29.991 0.102 . 1 . . . . 75 K CD . 17019 1 275 . 1 1 25 25 LYS CE C 13 42.110 0.037 . 1 . . . . 75 K CE . 17019 1 276 . 1 1 25 25 LYS CG C 13 26.384 0.130 . 1 . . . . 75 K CG . 17019 1 277 . 1 1 25 25 LYS N N 15 123.385 0.087 . 1 . . . . 75 K N . 17019 1 278 . 1 1 26 26 MET H H 1 7.351 0.010 . 1 . . . . 76 M HN . 17019 1 279 . 1 1 26 26 MET HA H 1 4.354 0.016 . 1 . . . . 76 M HA . 17019 1 280 . 1 1 26 26 MET HB2 H 1 2.239 0.005 . 2 . . . . 76 M HB2 . 17019 1 281 . 1 1 26 26 MET HB3 H 1 2.186 0.008 . 2 . . . . 76 M HB3 . 17019 1 282 . 1 1 26 26 MET HE1 H 1 2.091 0.020 . 1 . . . . 76 M QE . 17019 1 283 . 1 1 26 26 MET HE2 H 1 2.091 0.020 . 1 . . . . 76 M QE . 17019 1 284 . 1 1 26 26 MET HE3 H 1 2.091 0.020 . 1 . . . . 76 M QE . 17019 1 285 . 1 1 26 26 MET HG2 H 1 2.763 0.014 . 2 . . . . 76 M HG2 . 17019 1 286 . 1 1 26 26 MET HG3 H 1 2.637 0.015 . 2 . . . . 76 M HG3 . 17019 1 287 . 1 1 26 26 MET CA C 13 57.328 0.031 . 1 . . . . 76 M CA . 17019 1 288 . 1 1 26 26 MET CB C 13 33.308 0.077 . 1 . . . . 76 M CB . 17019 1 289 . 1 1 26 26 MET CE C 13 16.917 0.001 . 1 . . . . 76 M CE . 17019 1 290 . 1 1 26 26 MET CG C 13 32.118 0.080 . 1 . . . . 76 M CG . 17019 1 291 . 1 1 26 26 MET N N 15 114.543 0.045 . 1 . . . . 76 M N . 17019 1 292 . 1 1 27 27 GLN H H 1 7.568 0.012 . 1 . . . . 77 Q HN . 17019 1 293 . 1 1 27 27 GLN HA H 1 4.632 0.023 . 1 . . . . 77 Q HA . 17019 1 294 . 1 1 27 27 GLN HB2 H 1 2.369 0.006 . 2 . . . . 77 Q HB2 . 17019 1 295 . 1 1 27 27 GLN HB3 H 1 1.702 0.006 . 2 . . . . 77 Q HB3 . 17019 1 296 . 1 1 27 27 GLN HE21 H 1 7.339 0.002 . 2 . . . . 77 Q HE21 . 17019 1 297 . 1 1 27 27 GLN HE22 H 1 6.851 0.002 . 2 . . . . 77 Q HE22 . 17019 1 298 . 1 1 27 27 GLN HG2 H 1 2.369 0.004 . 2 . . . . 77 Q QG . 17019 1 299 . 1 1 27 27 GLN HG3 H 1 2.369 0.004 . 2 . . . . 77 Q QG . 17019 1 300 . 1 1 27 27 GLN CA C 13 56.556 0.068 . 1 . . . . 77 Q CA . 17019 1 301 . 1 1 27 27 GLN CB C 13 31.103 0.032 . 1 . . . . 77 Q CB . 17019 1 302 . 1 1 27 27 GLN CG C 13 34.310 0.061 . 1 . . . . 77 Q CG . 17019 1 303 . 1 1 27 27 GLN N N 15 114.733 0.046 . 1 . . . . 77 Q N . 17019 1 304 . 1 1 27 27 GLN NE2 N 15 110.769 0.049 . 1 . . . . 77 Q NE2 . 17019 1 305 . 1 1 28 28 THR H H 1 7.546 0.010 . 1 . . . . 78 T HN . 17019 1 306 . 1 1 28 28 THR HA H 1 4.893 0.034 . 1 . . . . 78 T HA . 17019 1 307 . 1 1 28 28 THR HB H 1 4.652 0.027 . 1 . . . . 78 T HB . 17019 1 308 . 1 1 28 28 THR HG21 H 1 0.987 0.019 . 1 . . . . 78 T QG2 . 17019 1 309 . 1 1 28 28 THR HG22 H 1 0.987 0.019 . 1 . . . . 78 T QG2 . 17019 1 310 . 1 1 28 28 THR HG23 H 1 0.987 0.019 . 1 . . . . 78 T QG2 . 17019 1 311 . 1 1 28 28 THR CA C 13 60.704 0.200 . 1 . . . . 78 T CA . 17019 1 312 . 1 1 28 28 THR CB C 13 69.120 0.200 . 1 . . . . 78 T CB . 17019 1 313 . 1 1 28 28 THR CG2 C 13 21.574 0.086 . 1 . . . . 78 T CG2 . 17019 1 314 . 1 1 28 28 THR N N 15 109.136 0.059 . 1 . . . . 78 T N . 17019 1 315 . 1 1 29 29 ALA H H 1 7.951 0.005 . 1 . . . . 79 A HN . 17019 1 316 . 1 1 29 29 ALA HA H 1 4.047 0.017 . 1 . . . . 79 A HA . 17019 1 317 . 1 1 29 29 ALA HB1 H 1 1.423 0.012 . 1 . . . . 79 A QB . 17019 1 318 . 1 1 29 29 ALA HB2 H 1 1.423 0.012 . 1 . . . . 79 A QB . 17019 1 319 . 1 1 29 29 ALA HB3 H 1 1.423 0.012 . 1 . . . . 79 A QB . 17019 1 320 . 1 1 29 29 ALA CA C 13 55.092 0.091 . 1 . . . . 79 A CA . 17019 1 321 . 1 1 29 29 ALA CB C 13 18.722 0.133 . 1 . . . . 79 A CB . 17019 1 322 . 1 1 29 29 ALA N N 15 124.446 0.056 . 1 . . . . 79 A N . 17019 1 323 . 1 1 30 30 ASP H H 1 8.585 0.003 . 1 . . . . 80 D HN . 17019 1 324 . 1 1 30 30 ASP HA H 1 4.363 0.017 . 1 . . . . 80 D HA . 17019 1 325 . 1 1 30 30 ASP HB2 H 1 2.515 0.020 . 2 . . . . 80 D QB . 17019 1 326 . 1 1 30 30 ASP HB3 H 1 2.515 0.020 . 2 . . . . 80 D QB . 17019 1 327 . 1 1 30 30 ASP CA C 13 54.463 0.050 . 1 . . . . 80 D CA . 17019 1 328 . 1 1 30 30 ASP CB C 13 39.862 0.054 . 1 . . . . 80 D CB . 17019 1 329 . 1 1 30 30 ASP N N 15 112.584 0.042 . 1 . . . . 80 D N . 17019 1 330 . 1 1 31 31 HIS H H 1 8.034 0.007 . 1 . . . . 81 H HN . 17019 1 331 . 1 1 31 31 HIS HA H 1 5.096 0.007 . 1 . . . . 81 H HA . 17019 1 332 . 1 1 31 31 HIS HB2 H 1 3.131 0.010 . 2 . . . . 81 H HB2 . 17019 1 333 . 1 1 31 31 HIS HB3 H 1 3.028 0.023 . 2 . . . . 81 H HB3 . 17019 1 334 . 1 1 31 31 HIS HD2 H 1 6.992 0.002 . 1 . . . . 81 H HD2 . 17019 1 335 . 1 1 31 31 HIS HE1 H 1 8.260 0.004 . 1 . . . . 81 H HE1 . 17019 1 336 . 1 1 31 31 HIS CA C 13 53.985 0.086 . 1 . . . . 81 H CA . 17019 1 337 . 1 1 31 31 HIS CB C 13 29.716 0.104 . 1 . . . . 81 H CB . 17019 1 338 . 1 1 31 31 HIS CD2 C 13 119.918 0.096 . 1 . . . . 81 H CD2 . 17019 1 339 . 1 1 31 31 HIS CE1 C 13 136.085 0.179 . 1 . . . . 81 H CE1 . 17019 1 340 . 1 1 31 31 HIS N N 15 117.835 0.045 . 1 . . . . 81 H N . 17019 1 341 . 1 1 32 32 PRO HA H 1 4.394 0.002 . 1 . . . . 82 P HA . 17019 1 342 . 1 1 32 32 PRO HB2 H 1 2.366 0.011 . 2 . . . . 82 P HB2 . 17019 1 343 . 1 1 32 32 PRO HB3 H 1 2.009 0.006 . 2 . . . . 82 P HB3 . 17019 1 344 . 1 1 32 32 PRO HD2 H 1 3.680 0.005 . 2 . . . . 82 P HD2 . 17019 1 345 . 1 1 32 32 PRO HD3 H 1 3.446 0.010 . 2 . . . . 82 P HD3 . 17019 1 346 . 1 1 32 32 PRO HG2 H 1 2.009 0.006 . 2 . . . . 82 P QG . 17019 1 347 . 1 1 32 32 PRO HG3 H 1 2.009 0.006 . 2 . . . . 82 P QG . 17019 1 348 . 1 1 32 32 PRO CA C 13 64.798 0.032 . 1 . . . . 82 P CA . 17019 1 349 . 1 1 32 32 PRO CB C 13 32.106 0.090 . 1 . . . . 82 P CB . 17019 1 350 . 1 1 32 32 PRO CD C 13 50.723 0.095 . 1 . . . . 82 P CD . 17019 1 351 . 1 1 32 32 PRO CG C 13 27.315 0.062 . 1 . . . . 82 P CG . 17019 1 352 . 1 1 33 33 GLU H H 1 10.005 0.011 . 1 . . . . 83 E HN . 17019 1 353 . 1 1 33 33 GLU HA H 1 4.288 0.017 . 1 . . . . 83 E HA . 17019 1 354 . 1 1 33 33 GLU HB2 H 1 2.214 0.021 . 2 . . . . 83 E HB2 . 17019 1 355 . 1 1 33 33 GLU HB3 H 1 2.021 0.006 . 2 . . . . 83 E HB3 . 17019 1 356 . 1 1 33 33 GLU HG2 H 1 2.403 0.036 . 2 . . . . 83 E HG2 . 17019 1 357 . 1 1 33 33 GLU HG3 H 1 2.146 0.078 . 2 . . . . 83 E HG3 . 17019 1 358 . 1 1 33 33 GLU CA C 13 57.959 0.119 . 1 . . . . 83 E CA . 17019 1 359 . 1 1 33 33 GLU CB C 13 28.276 0.073 . 1 . . . . 83 E CB . 17019 1 360 . 1 1 33 33 GLU CG C 13 35.935 0.131 . 1 . . . . 83 E CG . 17019 1 361 . 1 1 33 33 GLU N N 15 119.120 0.072 . 1 . . . . 83 E N . 17019 1 362 . 1 1 34 34 VAL H H 1 7.801 0.010 . 1 . . . . 84 V HN . 17019 1 363 . 1 1 34 34 VAL HA H 1 3.719 0.016 . 1 . . . . 84 V HA . 17019 1 364 . 1 1 34 34 VAL HB H 1 2.309 0.018 . 1 . . . . 84 V HB . 17019 1 365 . 1 1 34 34 VAL HG11 H 1 0.976 0.004 . . . . . . 84 V QG1 . 17019 1 366 . 1 1 34 34 VAL HG12 H 1 0.976 0.004 . . . . . . 84 V QG1 . 17019 1 367 . 1 1 34 34 VAL HG13 H 1 0.976 0.004 . . . . . . 84 V QG1 . 17019 1 368 . 1 1 34 34 VAL HG21 H 1 1.053 0.005 . . . . . . 84 V QG2 . 17019 1 369 . 1 1 34 34 VAL HG22 H 1 1.053 0.005 . . . . . . 84 V QG2 . 17019 1 370 . 1 1 34 34 VAL HG23 H 1 1.053 0.005 . . . . . . 84 V QG2 . 17019 1 371 . 1 1 34 34 VAL CA C 13 66.864 0.054 . 1 . . . . 84 V CA . 17019 1 372 . 1 1 34 34 VAL CB C 13 31.860 0.056 . 1 . . . . 84 V CB . 17019 1 373 . 1 1 34 34 VAL CG1 C 13 21.730 0.077 . 2 . . . . 84 V CG1 . 17019 1 374 . 1 1 34 34 VAL CG2 C 13 23.442 0.070 . 2 . . . . 84 V CG2 . 17019 1 375 . 1 1 34 34 VAL N N 15 120.737 0.098 . 1 . . . . 84 V N . 17019 1 376 . 1 1 35 35 VAL H H 1 8.068 0.014 . 1 . . . . 85 V HN . 17019 1 377 . 1 1 35 35 VAL HA H 1 3.753 0.009 . 1 . . . . 85 V HA . 17019 1 378 . 1 1 35 35 VAL HB H 1 2.281 0.003 . 1 . . . . 85 V HB . 17019 1 379 . 1 1 35 35 VAL HG11 H 1 0.949 0.003 . . . . . . 85 V QG1 . 17019 1 380 . 1 1 35 35 VAL HG12 H 1 0.949 0.003 . . . . . . 85 V QG1 . 17019 1 381 . 1 1 35 35 VAL HG13 H 1 0.949 0.003 . . . . . . 85 V QG1 . 17019 1 382 . 1 1 35 35 VAL HG21 H 1 0.814 0.002 . . . . . . 85 V QG2 . 17019 1 383 . 1 1 35 35 VAL HG22 H 1 0.814 0.002 . . . . . . 85 V QG2 . 17019 1 384 . 1 1 35 35 VAL HG23 H 1 0.814 0.002 . . . . . . 85 V QG2 . 17019 1 385 . 1 1 35 35 VAL CA C 13 69.395 0.012 . 1 . . . . 85 V CA . 17019 1 386 . 1 1 35 35 VAL CB C 13 29.546 0.069 . 1 . . . . 85 V CB . 17019 1 387 . 1 1 35 35 VAL CG1 C 13 21.455 0.078 . 2 . . . . 85 V CG1 . 17019 1 388 . 1 1 35 35 VAL CG2 C 13 24.623 0.063 . 2 . . . . 85 V CG2 . 17019 1 389 . 1 1 35 35 VAL N N 15 119.444 0.044 . 1 . . . . 85 V N . 17019 1 390 . 1 1 36 36 PRO HA H 1 4.495 0.017 . 1 . . . . 86 P HA . 17019 1 391 . 1 1 36 36 PRO HB2 H 1 2.313 0.117 . 2 . . . . 86 P HB2 . 17019 1 392 . 1 1 36 36 PRO HB3 H 1 1.966 0.012 . 2 . . . . 86 P HB3 . 17019 1 393 . 1 1 36 36 PRO HD2 H 1 3.963 0.009 . 2 . . . . 86 P HD2 . 17019 1 394 . 1 1 36 36 PRO HD3 H 1 3.531 0.005 . 2 . . . . 86 P HD3 . 17019 1 395 . 1 1 36 36 PRO HG2 H 1 2.237 0.017 . 2 . . . . 86 P HG2 . 17019 1 396 . 1 1 36 36 PRO HG3 H 1 2.026 0.003 . 2 . . . . 86 P HG3 . 17019 1 397 . 1 1 36 36 PRO CA C 13 65.860 0.033 . 1 . . . . 86 P CA . 17019 1 398 . 1 1 36 36 PRO CB C 13 30.771 0.067 . 1 . . . . 86 P CB . 17019 1 399 . 1 1 36 36 PRO CD C 13 49.519 0.049 . 1 . . . . 86 P CD . 17019 1 400 . 1 1 36 36 PRO CG C 13 28.054 0.025 . 1 . . . . 86 P CG . 17019 1 401 . 1 1 37 37 PHE H H 1 7.501 0.014 . 1 . . . . 87 F HN . 17019 1 402 . 1 1 37 37 PHE HA H 1 4.356 0.008 . 1 . . . . 87 F HA . 17019 1 403 . 1 1 37 37 PHE HB2 H 1 3.410 0.011 . 2 . . . . 87 F HB2 . 17019 1 404 . 1 1 37 37 PHE HB3 H 1 3.328 0.011 . 2 . . . . 87 F HB3 . 17019 1 405 . 1 1 37 37 PHE HD1 H 1 7.269 0.006 . 3 . . . . 87 F QD . 17019 1 406 . 1 1 37 37 PHE HD2 H 1 7.269 0.006 . 3 . . . . 87 F QD . 17019 1 407 . 1 1 37 37 PHE HE1 H 1 7.312 0.005 . 3 . . . . 87 F QE . 17019 1 408 . 1 1 37 37 PHE HE2 H 1 7.312 0.005 . 3 . . . . 87 F QE . 17019 1 409 . 1 1 37 37 PHE HZ H 1 7.284 0.014 . 1 . . . . 87 F HZ . 17019 1 410 . 1 1 37 37 PHE CA C 13 61.613 0.055 . 1 . . . . 87 F CA . 17019 1 411 . 1 1 37 37 PHE CB C 13 39.647 0.078 . 1 . . . . 87 F CB . 17019 1 412 . 1 1 37 37 PHE CD1 C 13 131.923 0.152 . 3 . . . . 87 F CD1 . 17019 1 413 . 1 1 37 37 PHE CE1 C 13 131.351 0.085 . 3 . . . . 87 F CE1 . 17019 1 414 . 1 1 37 37 PHE CZ C 13 129.605 0.086 . 1 . . . . 87 F CZ . 17019 1 415 . 1 1 37 37 PHE N N 15 119.124 0.033 . 1 . . . . 87 F N . 17019 1 416 . 1 1 38 38 LEU H H 1 8.395 0.004 . 1 . . . . 88 L HN . 17019 1 417 . 1 1 38 38 LEU HA H 1 4.119 0.029 . 1 . . . . 88 L HA . 17019 1 418 . 1 1 38 38 LEU HB2 H 1 2.001 0.018 . 2 . . . . 88 L HB2 . 17019 1 419 . 1 1 38 38 LEU HB3 H 1 1.806 0.019 . 2 . . . . 88 L HB3 . 17019 1 420 . 1 1 38 38 LEU HD11 H 1 1.103 0.005 . . . . . . 88 L QD1 . 17019 1 421 . 1 1 38 38 LEU HD12 H 1 1.103 0.005 . . . . . . 88 L QD1 . 17019 1 422 . 1 1 38 38 LEU HD13 H 1 1.103 0.005 . . . . . . 88 L QD1 . 17019 1 423 . 1 1 38 38 LEU HD21 H 1 1.094 0.020 . . . . . . 88 L QD2 . 17019 1 424 . 1 1 38 38 LEU HD22 H 1 1.094 0.020 . . . . . . 88 L QD2 . 17019 1 425 . 1 1 38 38 LEU HD23 H 1 1.094 0.020 . . . . . . 88 L QD2 . 17019 1 426 . 1 1 38 38 LEU HG H 1 1.856 0.011 . 1 . . . . 88 L HG . 17019 1 427 . 1 1 38 38 LEU CA C 13 58.543 0.067 . 1 . . . . 88 L CA . 17019 1 428 . 1 1 38 38 LEU CB C 13 42.704 0.077 . 1 . . . . 88 L CB . 17019 1 429 . 1 1 38 38 LEU CD1 C 13 26.401 0.089 . 2 . . . . 88 L CD1 . 17019 1 430 . 1 1 38 38 LEU CD2 C 13 26.395 0.047 . 2 . . . . 88 L CD2 . 17019 1 431 . 1 1 38 38 LEU CG C 13 28.234 0.093 . 1 . . . . 88 L CG . 17019 1 432 . 1 1 38 38 LEU N N 15 121.747 0.139 . 1 . . . . 88 L N . 17019 1 433 . 1 1 39 39 TYR H H 1 8.776 0.007 . 1 . . . . 89 Y HN . 17019 1 434 . 1 1 39 39 TYR HA H 1 4.431 0.018 . 1 . . . . 89 Y HA . 17019 1 435 . 1 1 39 39 TYR HB2 H 1 3.121 0.041 . 2 . . . . 89 Y QB . 17019 1 436 . 1 1 39 39 TYR HB3 H 1 3.121 0.041 . 2 . . . . 89 Y QB . 17019 1 437 . 1 1 39 39 TYR HD1 H 1 7.210 0.008 . 3 . . . . 89 Y QD . 17019 1 438 . 1 1 39 39 TYR HD2 H 1 7.210 0.008 . 3 . . . . 89 Y QD . 17019 1 439 . 1 1 39 39 TYR HE1 H 1 6.849 0.006 . 3 . . . . 89 Y QE . 17019 1 440 . 1 1 39 39 TYR HE2 H 1 6.849 0.006 . 3 . . . . 89 Y QE . 17019 1 441 . 1 1 39 39 TYR CA C 13 62.599 0.031 . 1 . . . . 89 Y CA . 17019 1 442 . 1 1 39 39 TYR CB C 13 38.706 0.077 . 1 . . . . 89 Y CB . 17019 1 443 . 1 1 39 39 TYR CD1 C 13 132.689 0.105 . 3 . . . . 89 Y CD1 . 17019 1 444 . 1 1 39 39 TYR CE1 C 13 118.279 0.086 . 3 . . . . 89 Y CE1 . 17019 1 445 . 1 1 39 39 TYR N N 15 118.668 0.047 . 1 . . . . 89 Y N . 17019 1 446 . 1 1 40 40 ASN H H 1 8.499 0.006 . 1 . . . . 90 N HN . 17019 1 447 . 1 1 40 40 ASN HA H 1 4.319 0.010 . 1 . . . . 90 N HA . 17019 1 448 . 1 1 40 40 ASN HB2 H 1 2.925 0.003 . 2 . . . . 90 N HB2 . 17019 1 449 . 1 1 40 40 ASN HB3 H 1 2.703 0.003 . 2 . . . . 90 N HB3 . 17019 1 450 . 1 1 40 40 ASN HD21 H 1 7.640 0.004 . 2 . . . . 90 N HD21 . 17019 1 451 . 1 1 40 40 ASN HD22 H 1 6.968 0.005 . 2 . . . . 90 N HD22 . 17019 1 452 . 1 1 40 40 ASN CA C 13 56.786 0.043 . 1 . . . . 90 N CA . 17019 1 453 . 1 1 40 40 ASN CB C 13 38.844 0.056 . 1 . . . . 90 N CB . 17019 1 454 . 1 1 40 40 ASN N N 15 117.513 0.025 . 1 . . . . 90 N N . 17019 1 455 . 1 1 40 40 ASN ND2 N 15 112.958 0.050 . 1 . . . . 90 N ND2 . 17019 1 456 . 1 1 41 41 ARG H H 1 7.944 0.005 . 1 . . . . 91 R HN . 17019 1 457 . 1 1 41 41 ARG HA H 1 3.843 0.027 . 1 . . . . 91 R HA . 17019 1 458 . 1 1 41 41 ARG HB2 H 1 2.191 0.004 . 2 . . . . 91 R QB . 17019 1 459 . 1 1 41 41 ARG HB3 H 1 2.191 0.004 . 2 . . . . 91 R QB . 17019 1 460 . 1 1 41 41 ARG HD2 H 1 3.119 0.008 . 2 . . . . 91 R HD2 . 17019 1 461 . 1 1 41 41 ARG HD3 H 1 3.008 0.042 . 2 . . . . 91 R HD3 . 17019 1 462 . 1 1 41 41 ARG HG2 H 1 1.405 0.021 . 2 . . . . 91 R QG . 17019 1 463 . 1 1 41 41 ARG HG3 H 1 1.405 0.021 . 2 . . . . 91 R QG . 17019 1 464 . 1 1 41 41 ARG CA C 13 58.453 0.039 . 1 . . . . 91 R CA . 17019 1 465 . 1 1 41 41 ARG CB C 13 30.087 0.052 . 1 . . . . 91 R CB . 17019 1 466 . 1 1 41 41 ARG CD C 13 43.268 0.105 . 1 . . . . 91 R CD . 17019 1 467 . 1 1 41 41 ARG CG C 13 27.668 0.071 . 1 . . . . 91 R CG . 17019 1 468 . 1 1 41 41 ARG N N 15 117.379 0.041 . 1 . . . . 91 R N . 17019 1 469 . 1 1 42 42 GLN H H 1 8.140 0.013 . 1 . . . . 92 Q HN . 17019 1 470 . 1 1 42 42 GLN HA H 1 3.638 0.018 . 1 . . . . 92 Q HA . 17019 1 471 . 1 1 42 42 GLN HB2 H 1 2.401 0.008 . 2 . . . . 92 Q HB2 . 17019 1 472 . 1 1 42 42 GLN HB3 H 1 1.399 0.011 . 2 . . . . 92 Q HB3 . 17019 1 473 . 1 1 42 42 GLN HE21 H 1 6.654 0.020 . 2 . . . . 92 Q HE21 . 17019 1 474 . 1 1 42 42 GLN HE22 H 1 6.654 0.020 . 2 . . . . 92 Q HE22 . 17019 1 475 . 1 1 42 42 GLN HG2 H 1 1.761 0.011 . 2 . . . . 92 Q HG2 . 17019 1 476 . 1 1 42 42 GLN HG3 H 1 1.077 0.005 . 2 . . . . 92 Q HG3 . 17019 1 477 . 1 1 42 42 GLN CA C 13 60.522 0.047 . 1 . . . . 92 Q CA . 17019 1 478 . 1 1 42 42 GLN CB C 13 27.536 0.067 . 1 . . . . 92 Q CB . 17019 1 479 . 1 1 42 42 GLN CG C 13 31.675 0.078 . 1 . . . . 92 Q CG . 17019 1 480 . 1 1 42 42 GLN N N 15 121.468 0.056 . 1 . . . . 92 Q N . 17019 1 481 . 1 1 42 42 GLN NE2 N 15 108.501 0.076 . 1 . . . . 92 Q NE2 . 17019 1 482 . 1 1 43 43 GLN H H 1 8.053 0.004 . 1 . . . . 93 Q HN . 17019 1 483 . 1 1 43 43 GLN HA H 1 3.795 0.021 . 1 . . . . 93 Q HA . 17019 1 484 . 1 1 43 43 GLN HB2 H 1 2.040 0.015 . 2 . . . . 93 Q QB . 17019 1 485 . 1 1 43 43 GLN HB3 H 1 2.040 0.015 . 2 . . . . 93 Q QB . 17019 1 486 . 1 1 43 43 GLN HE21 H 1 7.367 0.010 . 2 . . . . 93 Q HE21 . 17019 1 487 . 1 1 43 43 GLN HE22 H 1 6.751 0.002 . 2 . . . . 93 Q HE22 . 17019 1 488 . 1 1 43 43 GLN HG2 H 1 2.183 0.017 . 2 . . . . 93 Q QG . 17019 1 489 . 1 1 43 43 GLN HG3 H 1 2.183 0.017 . 2 . . . . 93 Q QG . 17019 1 490 . 1 1 43 43 GLN CA C 13 57.773 0.132 . 1 . . . . 93 Q CA . 17019 1 491 . 1 1 43 43 GLN CB C 13 29.101 0.083 . 1 . . . . 93 Q CB . 17019 1 492 . 1 1 43 43 GLN CG C 13 34.437 0.054 . 1 . . . . 93 Q CG . 17019 1 493 . 1 1 43 43 GLN N N 15 115.262 0.038 . 1 . . . . 93 Q N . 17019 1 494 . 1 1 43 43 GLN NE2 N 15 114.020 0.134 . 1 . . . . 93 Q NE2 . 17019 1 495 . 1 1 44 44 ARG H H 1 7.227 0.013 . 1 . . . . 94 R HN . 17019 1 496 . 1 1 44 44 ARG HA H 1 4.287 0.029 . 1 . . . . 94 R HA . 17019 1 497 . 1 1 44 44 ARG HB2 H 1 2.091 0.018 . 2 . . . . 94 R HB2 . 17019 1 498 . 1 1 44 44 ARG HB3 H 1 1.604 0.013 . 2 . . . . 94 R HB3 . 17019 1 499 . 1 1 44 44 ARG HD2 H 1 3.076 0.026 . 2 . . . . 94 R QD . 17019 1 500 . 1 1 44 44 ARG HD3 H 1 3.076 0.026 . 2 . . . . 94 R QD . 17019 1 501 . 1 1 44 44 ARG HG2 H 1 1.745 0.027 . 2 . . . . 94 R QG . 17019 1 502 . 1 1 44 44 ARG HG3 H 1 1.745 0.027 . 2 . . . . 94 R QG . 17019 1 503 . 1 1 44 44 ARG CA C 13 55.535 0.027 . 1 . . . . 94 R CA . 17019 1 504 . 1 1 44 44 ARG CB C 13 31.216 0.027 . 1 . . . . 94 R CB . 17019 1 505 . 1 1 44 44 ARG CD C 13 43.531 0.045 . 1 . . . . 94 R CD . 17019 1 506 . 1 1 44 44 ARG CG C 13 27.807 0.087 . 1 . . . . 94 R CG . 17019 1 507 . 1 1 44 44 ARG N N 15 115.543 0.063 . 1 . . . . 94 R N . 17019 1 508 . 1 1 45 45 ALA H H 1 7.172 0.014 . 1 . . . . 95 A HN . 17019 1 509 . 1 1 45 45 ALA HA H 1 4.470 0.012 . 1 . . . . 95 A HA . 17019 1 510 . 1 1 45 45 ALA HB1 H 1 1.358 0.003 . 1 . . . . 95 A QB . 17019 1 511 . 1 1 45 45 ALA HB2 H 1 1.358 0.003 . 1 . . . . 95 A QB . 17019 1 512 . 1 1 45 45 ALA HB3 H 1 1.358 0.003 . 1 . . . . 95 A QB . 17019 1 513 . 1 1 45 45 ALA CA C 13 51.894 0.058 . 1 . . . . 95 A CA . 17019 1 514 . 1 1 45 45 ALA CB C 13 20.056 0.099 . 1 . . . . 95 A CB . 17019 1 515 . 1 1 45 45 ALA N N 15 123.090 0.062 . 1 . . . . 95 A N . 17019 1 516 . 1 1 46 46 HIS H H 1 8.641 0.005 . 1 . . . . 96 H HN . 17019 1 517 . 1 1 46 46 HIS HA H 1 4.288 0.023 . 1 . . . . 96 H HA . 17019 1 518 . 1 1 46 46 HIS HB2 H 1 3.078 0.044 . 2 . . . . 96 H QB . 17019 1 519 . 1 1 46 46 HIS HB3 H 1 3.078 0.044 . 2 . . . . 96 H QB . 17019 1 520 . 1 1 46 46 HIS HD2 H 1 7.170 0.002 . 1 . . . . 96 H HD2 . 17019 1 521 . 1 1 46 46 HIS HE1 H 1 7.776 0.002 . 1 . . . . 96 H HE1 . 17019 1 522 . 1 1 46 46 HIS CA C 13 57.930 0.081 . 1 . . . . 96 H CA . 17019 1 523 . 1 1 46 46 HIS CB C 13 32.375 0.078 . 1 . . . . 96 H CB . 17019 1 524 . 1 1 46 46 HIS CD2 C 13 118.094 0.119 . 1 . . . . 96 H CD2 . 17019 1 525 . 1 1 46 46 HIS CE1 C 13 138.762 0.176 . 1 . . . . 96 H CE1 . 17019 1 526 . 1 1 46 46 HIS N N 15 119.231 0.086 . 1 . . . . 96 H N . 17019 1 527 . 1 1 47 47 SER H H 1 8.872 0.012 . 1 . . . . 97 S HN . 17019 1 528 . 1 1 47 47 SER HA H 1 3.991 0.020 . 1 . . . . 97 S HA . 17019 1 529 . 1 1 47 47 SER HB2 H 1 3.991 0.020 . 2 . . . . 97 S QB . 17019 1 530 . 1 1 47 47 SER HB3 H 1 3.991 0.020 . 2 . . . . 97 S QB . 17019 1 531 . 1 1 47 47 SER CA C 13 62.534 0.026 . 1 . . . . 97 S CA . 17019 1 532 . 1 1 47 47 SER CB C 13 62.534 0.026 . 1 . . . . 97 S CB . 17019 1 533 . 1 1 47 47 SER N N 15 124.036 0.058 . 1 . . . . 97 S N . 17019 1 534 . 1 1 48 48 LEU H H 1 9.480 0.009 . 1 . . . . 98 L HN . 17019 1 535 . 1 1 48 48 LEU HA H 1 4.189 0.013 . 1 . . . . 98 L HA . 17019 1 536 . 1 1 48 48 LEU HB2 H 1 1.758 0.015 . 2 . . . . 98 L HB2 . 17019 1 537 . 1 1 48 48 LEU HB3 H 1 1.577 0.020 . 2 . . . . 98 L HB3 . 17019 1 538 . 1 1 48 48 LEU HD11 H 1 0.940 0.020 . . . . . . 98 L QD1 . 17019 1 539 . 1 1 48 48 LEU HD12 H 1 0.940 0.020 . . . . . . 98 L QD1 . 17019 1 540 . 1 1 48 48 LEU HD13 H 1 0.940 0.020 . . . . . . 98 L QD1 . 17019 1 541 . 1 1 48 48 LEU HD21 H 1 0.902 0.001 . . . . . . 98 L QD2 . 17019 1 542 . 1 1 48 48 LEU HD22 H 1 0.902 0.001 . . . . . . 98 L QD2 . 17019 1 543 . 1 1 48 48 LEU HD23 H 1 0.902 0.001 . . . . . . 98 L QD2 . 17019 1 544 . 1 1 48 48 LEU HG H 1 1.740 0.006 . 1 . . . . 98 L HG . 17019 1 545 . 1 1 48 48 LEU CA C 13 58.140 0.046 . 1 . . . . 98 L CA . 17019 1 546 . 1 1 48 48 LEU CB C 13 41.425 0.051 . 1 . . . . 98 L CB . 17019 1 547 . 1 1 48 48 LEU CD1 C 13 24.962 0.059 . 2 . . . . 98 L CD1 . 17019 1 548 . 1 1 48 48 LEU CD2 C 13 23.785 0.086 . 2 . . . . 98 L CD2 . 17019 1 549 . 1 1 48 48 LEU CG C 13 27.292 0.070 . 1 . . . . 98 L CG . 17019 1 550 . 1 1 48 48 LEU N N 15 123.627 0.032 . 1 . . . . 98 L N . 17019 1 551 . 1 1 49 49 PHE H H 1 7.338 0.016 . 1 . . . . 99 F HN . 17019 1 552 . 1 1 49 49 PHE HA H 1 4.243 0.023 . 1 . . . . 99 F HA . 17019 1 553 . 1 1 49 49 PHE HB2 H 1 3.255 0.046 . 2 . . . . 99 F HB2 . 17019 1 554 . 1 1 49 49 PHE HB3 H 1 2.875 0.007 . 2 . . . . 99 F HB3 . 17019 1 555 . 1 1 49 49 PHE HD1 H 1 6.493 0.008 . 3 . . . . 99 F QD . 17019 1 556 . 1 1 49 49 PHE HD2 H 1 6.493 0.008 . 3 . . . . 99 F QD . 17019 1 557 . 1 1 49 49 PHE HE1 H 1 6.355 0.010 . 3 . . . . 99 F QE . 17019 1 558 . 1 1 49 49 PHE HE2 H 1 6.355 0.010 . 3 . . . . 99 F QE . 17019 1 559 . 1 1 49 49 PHE HZ H 1 6.598 0.006 . 1 . . . . 99 F HZ . 17019 1 560 . 1 1 49 49 PHE CA C 13 61.412 0.052 . 1 . . . . 99 F CA . 17019 1 561 . 1 1 49 49 PHE CB C 13 39.150 0.080 . 1 . . . . 99 F CB . 17019 1 562 . 1 1 49 49 PHE CD1 C 13 130.503 0.146 . 3 . . . . 99 F CD1 . 17019 1 563 . 1 1 49 49 PHE CE1 C 13 130.193 0.127 . 3 . . . . 99 F CE1 . 17019 1 564 . 1 1 49 49 PHE CZ C 13 128.376 0.123 . 1 . . . . 99 F CZ . 17019 1 565 . 1 1 49 49 PHE N N 15 119.444 0.055 . 1 . . . . 99 F N . 17019 1 566 . 1 1 50 50 LEU H H 1 8.009 0.007 . 1 . . . . 100 L HN . 17019 1 567 . 1 1 50 50 LEU HA H 1 3.786 0.019 . 1 . . . . 100 L HA . 17019 1 568 . 1 1 50 50 LEU HB2 H 1 1.837 0.014 . 2 . . . . 100 L HB2 . 17019 1 569 . 1 1 50 50 LEU HB3 H 1 1.489 0.029 . 2 . . . . 100 L HB3 . 17019 1 570 . 1 1 50 50 LEU HD11 H 1 0.799 0.010 . . . . . . 100 L QD1 . 17019 1 571 . 1 1 50 50 LEU HD12 H 1 0.799 0.010 . . . . . . 100 L QD1 . 17019 1 572 . 1 1 50 50 LEU HD13 H 1 0.799 0.010 . . . . . . 100 L QD1 . 17019 1 573 . 1 1 50 50 LEU HD21 H 1 0.512 0.004 . . . . . . 100 L QD2 . 17019 1 574 . 1 1 50 50 LEU HD22 H 1 0.512 0.004 . . . . . . 100 L QD2 . 17019 1 575 . 1 1 50 50 LEU HD23 H 1 0.512 0.004 . . . . . . 100 L QD2 . 17019 1 576 . 1 1 50 50 LEU HG H 1 1.543 0.012 . 1 . . . . 100 L HG . 17019 1 577 . 1 1 50 50 LEU CA C 13 57.098 0.075 . 1 . . . . 100 L CA . 17019 1 578 . 1 1 50 50 LEU CB C 13 41.571 0.104 . 1 . . . . 100 L CB . 17019 1 579 . 1 1 50 50 LEU CD1 C 13 25.702 0.075 . 2 . . . . 100 L CD1 . 17019 1 580 . 1 1 50 50 LEU CD2 C 13 22.825 0.071 . 2 . . . . 100 L CD2 . 17019 1 581 . 1 1 50 50 LEU CG C 13 26.556 0.036 . 1 . . . . 100 L CG . 17019 1 582 . 1 1 50 50 LEU N N 15 118.559 0.060 . 1 . . . . 100 L N . 17019 1 583 . 1 1 51 51 ALA H H 1 7.238 0.010 . 1 . . . . 101 A HN . 17019 1 584 . 1 1 51 51 ALA HA H 1 4.339 0.018 . 1 . . . . 101 A HA . 17019 1 585 . 1 1 51 51 ALA HB1 H 1 1.661 0.009 . 1 . . . . 101 A QB . 17019 1 586 . 1 1 51 51 ALA HB2 H 1 1.661 0.009 . 1 . . . . 101 A QB . 17019 1 587 . 1 1 51 51 ALA HB3 H 1 1.661 0.009 . 1 . . . . 101 A QB . 17019 1 588 . 1 1 51 51 ALA CA C 13 51.339 0.053 . 1 . . . . 101 A CA . 17019 1 589 . 1 1 51 51 ALA CB C 13 20.311 0.094 . 1 . . . . 101 A CB . 17019 1 590 . 1 1 51 51 ALA N N 15 121.244 0.064 . 1 . . . . 101 A N . 17019 1 591 . 1 1 52 52 SER H H 1 7.472 0.011 . 1 . . . . 102 S HN . 17019 1 592 . 1 1 52 52 SER HA H 1 4.579 0.020 . 1 . . . . 102 S HA . 17019 1 593 . 1 1 52 52 SER HB2 H 1 4.390 0.020 . 2 . . . . 102 S QB . 17019 1 594 . 1 1 52 52 SER HB3 H 1 4.390 0.020 . 2 . . . . 102 S QB . 17019 1 595 . 1 1 52 52 SER CA C 13 59.568 0.200 . 1 . . . . 102 S CA . 17019 1 596 . 1 1 52 52 SER CB C 13 66.889 0.049 . 1 . . . . 102 S CB . 17019 1 597 . 1 1 52 52 SER N N 15 115.803 0.059 . 1 . . . . 102 S N . 17019 1 598 . 1 1 53 53 ALA H H 1 8.927 0.006 . 1 . . . . 103 A HN . 17019 1 599 . 1 1 53 53 ALA HA H 1 2.807 0.007 . 1 . . . . 103 A HA . 17019 1 600 . 1 1 53 53 ALA HB1 H 1 1.120 0.012 . 1 . . . . 103 A QB . 17019 1 601 . 1 1 53 53 ALA HB2 H 1 1.120 0.012 . 1 . . . . 103 A QB . 17019 1 602 . 1 1 53 53 ALA HB3 H 1 1.120 0.012 . 1 . . . . 103 A QB . 17019 1 603 . 1 1 53 53 ALA CA C 13 54.059 0.036 . 1 . . . . 103 A CA . 17019 1 604 . 1 1 53 53 ALA CB C 13 18.313 0.113 . 1 . . . . 103 A CB . 17019 1 605 . 1 1 53 53 ALA N N 15 126.099 0.032 . 1 . . . . 103 A N . 17019 1 606 . 1 1 54 54 GLU H H 1 8.450 0.006 . 1 . . . . 104 E HN . 17019 1 607 . 1 1 54 54 GLU HA H 1 3.941 0.006 . 1 . . . . 104 E HA . 17019 1 608 . 1 1 54 54 GLU HB2 H 1 2.123 0.029 . 2 . . . . 104 E HB2 . 17019 1 609 . 1 1 54 54 GLU HB3 H 1 1.899 0.014 . 2 . . . . 104 E HB3 . 17019 1 610 . 1 1 54 54 GLU HG2 H 1 2.335 0.021 . 2 . . . . 104 E QG . 17019 1 611 . 1 1 54 54 GLU HG3 H 1 2.335 0.021 . 2 . . . . 104 E QG . 17019 1 612 . 1 1 54 54 GLU CA C 13 60.098 0.120 . 1 . . . . 104 E CA . 17019 1 613 . 1 1 54 54 GLU CB C 13 29.198 0.100 . 1 . . . . 104 E CB . 17019 1 614 . 1 1 54 54 GLU CG C 13 36.537 0.067 . 1 . . . . 104 E CG . 17019 1 615 . 1 1 54 54 GLU N N 15 118.242 0.042 . 1 . . . . 104 E N . 17019 1 616 . 1 1 55 55 PHE H H 1 7.880 0.009 . 1 . . . . 105 F HN . 17019 1 617 . 1 1 55 55 PHE HA H 1 4.267 0.003 . 1 . . . . 105 F HA . 17019 1 618 . 1 1 55 55 PHE HB2 H 1 2.473 0.030 . 2 . . . . 105 F HB2 . 17019 1 619 . 1 1 55 55 PHE HB3 H 1 1.399 0.030 . 2 . . . . 105 F HB3 . 17019 1 620 . 1 1 55 55 PHE HD1 H 1 7.038 0.009 . 3 . . . . 105 F QD . 17019 1 621 . 1 1 55 55 PHE HD2 H 1 7.038 0.009 . 3 . . . . 105 F QD . 17019 1 622 . 1 1 55 55 PHE HE1 H 1 7.199 0.005 . 3 . . . . 105 F QE . 17019 1 623 . 1 1 55 55 PHE HE2 H 1 7.199 0.005 . 3 . . . . 105 F QE . 17019 1 624 . 1 1 55 55 PHE HZ H 1 6.855 0.008 . 1 . . . . 105 F HZ . 17019 1 625 . 1 1 55 55 PHE CA C 13 57.539 0.020 . 1 . . . . 105 F CA . 17019 1 626 . 1 1 55 55 PHE CB C 13 37.276 0.107 . 1 . . . . 105 F CB . 17019 1 627 . 1 1 55 55 PHE CD1 C 13 131.228 0.120 . 3 . . . . 105 F CD1 . 17019 1 628 . 1 1 55 55 PHE CE1 C 13 130.298 0.200 . 3 . . . . 105 F CE1 . 17019 1 629 . 1 1 55 55 PHE CZ C 13 128.087 0.101 . 1 . . . . 105 F CZ . 17019 1 630 . 1 1 55 55 PHE N N 15 119.208 0.045 . 1 . . . . 105 F N . 17019 1 631 . 1 1 56 56 CYS H H 1 7.183 0.011 . 1 . . . . 106 C HN . 17019 1 632 . 1 1 56 56 CYS HA H 1 3.702 0.010 . 1 . . . . 106 C HA . 17019 1 633 . 1 1 56 56 CYS HB2 H 1 3.312 0.014 . 2 . . . . 106 C HB2 . 17019 1 634 . 1 1 56 56 CYS HB3 H 1 2.518 0.021 . 2 . . . . 106 C HB3 . 17019 1 635 . 1 1 56 56 CYS CA C 13 63.477 0.041 . 1 . . . . 106 C CA . 17019 1 636 . 1 1 56 56 CYS CB C 13 27.818 0.067 . 1 . . . . 106 C CB . 17019 1 637 . 1 1 56 56 CYS N N 15 120.915 0.044 . 1 . . . . 106 C N . 17019 1 638 . 1 1 57 57 ASN H H 1 8.078 0.007 . 1 . . . . 107 N HN . 17019 1 639 . 1 1 57 57 ASN HA H 1 4.293 0.018 . 1 . . . . 107 N HA . 17019 1 640 . 1 1 57 57 ASN HB2 H 1 2.822 0.014 . 2 . . . . 107 N HB2 . 17019 1 641 . 1 1 57 57 ASN HB3 H 1 2.753 0.011 . 2 . . . . 107 N HB3 . 17019 1 642 . 1 1 57 57 ASN HD21 H 1 7.521 0.006 . 2 . . . . 107 N HD21 . 17019 1 643 . 1 1 57 57 ASN HD22 H 1 6.878 0.001 . 2 . . . . 107 N HD22 . 17019 1 644 . 1 1 57 57 ASN CA C 13 56.560 0.063 . 1 . . . . 107 N CA . 17019 1 645 . 1 1 57 57 ASN CB C 13 38.439 0.081 . 1 . . . . 107 N CB . 17019 1 646 . 1 1 57 57 ASN N N 15 118.472 0.048 . 1 . . . . 107 N N . 17019 1 647 . 1 1 57 57 ASN ND2 N 15 112.541 0.062 . 1 . . . . 107 N ND2 . 17019 1 648 . 1 1 58 58 ILE H H 1 7.897 0.007 . 1 . . . . 108 I HN . 17019 1 649 . 1 1 58 58 ILE HA H 1 3.673 0.016 . 1 . . . . 108 I HA . 17019 1 650 . 1 1 58 58 ILE HB H 1 1.922 0.016 . 1 . . . . 108 I HB . 17019 1 651 . 1 1 58 58 ILE HD11 H 1 1.086 0.014 . 1 . . . . 108 I QD1 . 17019 1 652 . 1 1 58 58 ILE HD12 H 1 1.086 0.014 . 1 . . . . 108 I QD1 . 17019 1 653 . 1 1 58 58 ILE HD13 H 1 1.086 0.014 . 1 . . . . 108 I QD1 . 17019 1 654 . 1 1 58 58 ILE HG12 H 1 1.173 0.013 . 1 . . . . 108 I QG1 . 17019 1 655 . 1 1 58 58 ILE HG13 H 1 1.173 0.013 . 1 . . . . 108 I QG1 . 17019 1 656 . 1 1 58 58 ILE HG21 H 1 0.948 0.003 . 1 . . . . 108 I QG2 . 17019 1 657 . 1 1 58 58 ILE HG22 H 1 0.948 0.003 . 1 . . . . 108 I QG2 . 17019 1 658 . 1 1 58 58 ILE HG23 H 1 0.948 0.003 . 1 . . . . 108 I QG2 . 17019 1 659 . 1 1 58 58 ILE CA C 13 65.232 0.026 . 1 . . . . 108 I CA . 17019 1 660 . 1 1 58 58 ILE CB C 13 38.992 0.036 . 1 . . . . 108 I CB . 17019 1 661 . 1 1 58 58 ILE CD1 C 13 15.064 0.099 . 1 . . . . 108 I CD1 . 17019 1 662 . 1 1 58 58 ILE CG1 C 13 29.464 0.101 . 1 . . . . 108 I CG1 . 17019 1 663 . 1 1 58 58 ILE CG2 C 13 17.038 0.102 . 1 . . . . 108 I CG2 . 17019 1 664 . 1 1 58 58 ILE N N 15 121.111 0.037 . 1 . . . . 108 I N . 17019 1 665 . 1 1 59 59 LEU H H 1 8.543 0.008 . 1 . . . . 109 L HN . 17019 1 666 . 1 1 59 59 LEU HA H 1 3.593 0.018 . 1 . . . . 109 L HA . 17019 1 667 . 1 1 59 59 LEU HB2 H 1 1.501 0.020 . 2 . . . . 109 L HB2 . 17019 1 668 . 1 1 59 59 LEU HB3 H 1 0.938 0.009 . 2 . . . . 109 L HB3 . 17019 1 669 . 1 1 59 59 LEU HD11 H 1 0.210 0.006 . . . . . . 109 L QD1 . 17019 1 670 . 1 1 59 59 LEU HD12 H 1 0.210 0.006 . . . . . . 109 L QD1 . 17019 1 671 . 1 1 59 59 LEU HD13 H 1 0.210 0.006 . . . . . . 109 L QD1 . 17019 1 672 . 1 1 59 59 LEU HD21 H 1 0.540 0.007 . . . . . . 109 L QD2 . 17019 1 673 . 1 1 59 59 LEU HD22 H 1 0.540 0.007 . . . . . . 109 L QD2 . 17019 1 674 . 1 1 59 59 LEU HD23 H 1 0.540 0.007 . . . . . . 109 L QD2 . 17019 1 675 . 1 1 59 59 LEU HG H 1 0.726 0.006 . 1 . . . . 109 L HG . 17019 1 676 . 1 1 59 59 LEU CA C 13 57.537 0.071 . 1 . . . . 109 L CA . 17019 1 677 . 1 1 59 59 LEU CB C 13 42.958 0.092 . 1 . . . . 109 L CB . 17019 1 678 . 1 1 59 59 LEU CD1 C 13 26.040 0.081 . 2 . . . . 109 L CD1 . 17019 1 679 . 1 1 59 59 LEU CD2 C 13 24.181 0.056 . 2 . . . . 109 L CD2 . 17019 1 680 . 1 1 59 59 LEU CG C 13 27.196 0.071 . 1 . . . . 109 L CG . 17019 1 681 . 1 1 59 59 LEU N N 15 120.401 0.041 . 1 . . . . 109 L N . 17019 1 682 . 1 1 60 60 SER H H 1 8.420 0.007 . 1 . . . . 110 S HN . 17019 1 683 . 1 1 60 60 SER HA H 1 4.007 0.018 . 1 . . . . 110 S HA . 17019 1 684 . 1 1 60 60 SER HB2 H 1 3.825 0.018 . 2 . . . . 110 S QB . 17019 1 685 . 1 1 60 60 SER HB3 H 1 3.825 0.018 . 2 . . . . 110 S QB . 17019 1 686 . 1 1 60 60 SER CA C 13 62.816 0.200 . 1 . . . . 110 S CA . 17019 1 687 . 1 1 60 60 SER CB C 13 62.780 0.048 . 1 . . . . 110 S CB . 17019 1 688 . 1 1 60 60 SER N N 15 113.107 0.061 . 1 . . . . 110 S N . 17019 1 689 . 1 1 61 61 ARG H H 1 7.661 0.010 . 1 . . . . 111 R HN . 17019 1 690 . 1 1 61 61 ARG HA H 1 4.057 0.033 . 1 . . . . 111 R HA . 17019 1 691 . 1 1 61 61 ARG HB2 H 1 1.893 0.020 . 2 . . . . 111 R HB2 . 17019 1 692 . 1 1 61 61 ARG HB3 H 1 1.826 0.006 . 2 . . . . 111 R HB3 . 17019 1 693 . 1 1 61 61 ARG HD2 H 1 3.138 0.044 . 2 . . . . 111 R QD . 17019 1 694 . 1 1 61 61 ARG HD3 H 1 3.138 0.044 . 2 . . . . 111 R QD . 17019 1 695 . 1 1 61 61 ARG HG2 H 1 1.598 0.007 . 2 . . . . 111 R HG2 . 17019 1 696 . 1 1 61 61 ARG HG3 H 1 1.408 0.019 . 2 . . . . 111 R HG3 . 17019 1 697 . 1 1 61 61 ARG CA C 13 59.400 0.040 . 1 . . . . 111 R CA . 17019 1 698 . 1 1 61 61 ARG CB C 13 30.110 0.080 . 1 . . . . 111 R CB . 17019 1 699 . 1 1 61 61 ARG CD C 13 43.320 0.011 . 1 . . . . 111 R CD . 17019 1 700 . 1 1 61 61 ARG CG C 13 27.563 0.100 . 1 . . . . 111 R CG . 17019 1 701 . 1 1 61 61 ARG N N 15 122.435 0.038 . 1 . . . . 111 R N . 17019 1 702 . 1 1 62 62 VAL H H 1 8.509 0.008 . 1 . . . . 112 V HN . 17019 1 703 . 1 1 62 62 VAL HA H 1 3.371 0.013 . 1 . . . . 112 V HA . 17019 1 704 . 1 1 62 62 VAL HB H 1 1.876 0.004 . 1 . . . . 112 V HB . 17019 1 705 . 1 1 62 62 VAL HG11 H 1 0.565 0.011 . . . . . . 112 V QG1 . 17019 1 706 . 1 1 62 62 VAL HG12 H 1 0.565 0.011 . . . . . . 112 V QG1 . 17019 1 707 . 1 1 62 62 VAL HG13 H 1 0.565 0.011 . . . . . . 112 V QG1 . 17019 1 708 . 1 1 62 62 VAL HG21 H 1 0.760 0.010 . . . . . . 112 V QG2 . 17019 1 709 . 1 1 62 62 VAL HG22 H 1 0.760 0.010 . . . . . . 112 V QG2 . 17019 1 710 . 1 1 62 62 VAL HG23 H 1 0.760 0.010 . . . . . . 112 V QG2 . 17019 1 711 . 1 1 62 62 VAL CA C 13 66.674 0.107 . 1 . . . . 112 V CA . 17019 1 712 . 1 1 62 62 VAL CB C 13 31.260 0.140 . 1 . . . . 112 V CB . 17019 1 713 . 1 1 62 62 VAL CG1 C 13 21.947 0.069 . 2 . . . . 112 V CG1 . 17019 1 714 . 1 1 62 62 VAL CG2 C 13 22.286 0.092 . 2 . . . . 112 V CG2 . 17019 1 715 . 1 1 62 62 VAL N N 15 118.405 0.069 . 1 . . . . 112 V N . 17019 1 716 . 1 1 63 63 LEU H H 1 8.297 0.011 . 1 . . . . 113 L HN . 17019 1 717 . 1 1 63 63 LEU HA H 1 3.990 0.021 . 1 . . . . 113 L HA . 17019 1 718 . 1 1 63 63 LEU HB2 H 1 1.654 0.016 . 2 . . . . 113 L QB . 17019 1 719 . 1 1 63 63 LEU HB3 H 1 1.654 0.016 . 2 . . . . 113 L QB . 17019 1 720 . 1 1 63 63 LEU HD11 H 1 0.931 0.002 . . . . . . 113 L QD1 . 17019 1 721 . 1 1 63 63 LEU HD12 H 1 0.931 0.002 . . . . . . 113 L QD1 . 17019 1 722 . 1 1 63 63 LEU HD13 H 1 0.931 0.002 . . . . . . 113 L QD1 . 17019 1 723 . 1 1 63 63 LEU HD21 H 1 0.937 0.002 . . . . . . 113 L QD2 . 17019 1 724 . 1 1 63 63 LEU HD22 H 1 0.937 0.002 . . . . . . 113 L QD2 . 17019 1 725 . 1 1 63 63 LEU HD23 H 1 0.937 0.002 . . . . . . 113 L QD2 . 17019 1 726 . 1 1 63 63 LEU HG H 1 1.511 0.018 . 1 . . . . 113 L HG . 17019 1 727 . 1 1 63 63 LEU CA C 13 58.634 0.056 . 1 . . . . 113 L CA . 17019 1 728 . 1 1 63 63 LEU CB C 13 42.529 0.044 . 1 . . . . 113 L CB . 17019 1 729 . 1 1 63 63 LEU CD1 C 13 24.953 0.085 . 2 . . . . 113 L CD1 . 17019 1 730 . 1 1 63 63 LEU CD2 C 13 25.481 0.141 . 2 . . . . 113 L CD2 . 17019 1 731 . 1 1 63 63 LEU CG C 13 28.115 0.058 . 1 . . . . 113 L CG . 17019 1 732 . 1 1 63 63 LEU N N 15 120.512 0.078 . 1 . . . . 113 L N . 17019 1 733 . 1 1 64 64 SER H H 1 7.511 0.013 . 1 . . . . 114 S HN . 17019 1 734 . 1 1 64 64 SER HA H 1 4.085 0.018 . 1 . . . . 114 S HA . 17019 1 735 . 1 1 64 64 SER HB2 H 1 3.950 0.018 . 2 . . . . 114 S QB . 17019 1 736 . 1 1 64 64 SER HB3 H 1 3.950 0.018 . 2 . . . . 114 S QB . 17019 1 737 . 1 1 64 64 SER CA C 13 61.476 0.046 . 1 . . . . 114 S CA . 17019 1 738 . 1 1 64 64 SER CB C 13 62.774 0.122 . 1 . . . . 114 S CB . 17019 1 739 . 1 1 64 64 SER N N 15 111.632 0.057 . 1 . . . . 114 S N . 17019 1 740 . 1 1 65 65 ARG H H 1 8.039 0.013 . 1 . . . . 115 R HN . 17019 1 741 . 1 1 65 65 ARG HA H 1 3.857 0.005 . 1 . . . . 115 R HA . 17019 1 742 . 1 1 65 65 ARG HB2 H 1 1.300 0.035 . 2 . . . . 115 R HB2 . 17019 1 743 . 1 1 65 65 ARG HB3 H 1 1.020 0.007 . 2 . . . . 115 R HB3 . 17019 1 744 . 1 1 65 65 ARG HD2 H 1 3.004 0.011 . 2 . . . . 115 R HD2 . 17019 1 745 . 1 1 65 65 ARG HD3 H 1 2.905 0.020 . 2 . . . . 115 R HD3 . 17019 1 746 . 1 1 65 65 ARG HG2 H 1 1.625 0.015 . 2 . . . . 115 R QG . 17019 1 747 . 1 1 65 65 ARG HG3 H 1 1.625 0.015 . 2 . . . . 115 R QG . 17019 1 748 . 1 1 65 65 ARG CA C 13 59.155 0.118 . 1 . . . . 115 R CA . 17019 1 749 . 1 1 65 65 ARG CB C 13 28.756 0.084 . 1 . . . . 115 R CB . 17019 1 750 . 1 1 65 65 ARG CD C 13 43.619 0.083 . 1 . . . . 115 R CD . 17019 1 751 . 1 1 65 65 ARG CG C 13 27.850 0.036 . 1 . . . . 115 R CG . 17019 1 752 . 1 1 65 65 ARG N N 15 121.302 0.093 . 1 . . . . 115 R N . 17019 1 753 . 1 1 66 66 ALA H H 1 8.387 0.005 . 1 . . . . 116 A HN . 17019 1 754 . 1 1 66 66 ALA HA H 1 3.947 0.018 . 1 . . . . 116 A HA . 17019 1 755 . 1 1 66 66 ALA HB1 H 1 1.501 0.012 . 1 . . . . 116 A QB . 17019 1 756 . 1 1 66 66 ALA HB2 H 1 1.501 0.012 . 1 . . . . 116 A QB . 17019 1 757 . 1 1 66 66 ALA HB3 H 1 1.501 0.012 . 1 . . . . 116 A QB . 17019 1 758 . 1 1 66 66 ALA CA C 13 54.992 0.013 . 1 . . . . 116 A CA . 17019 1 759 . 1 1 66 66 ALA CB C 13 19.475 0.101 . 1 . . . . 116 A CB . 17019 1 760 . 1 1 66 66 ALA N N 15 121.545 0.070 . 1 . . . . 116 A N . 17019 1 761 . 1 1 67 67 ARG H H 1 7.786 0.010 . 1 . . . . 117 R HN . 17019 1 762 . 1 1 67 67 ARG HA H 1 4.012 0.016 . 1 . . . . 117 R HA . 17019 1 763 . 1 1 67 67 ARG HB2 H 1 1.829 0.015 . 2 . . . . 117 R QB . 17019 1 764 . 1 1 67 67 ARG HB3 H 1 1.829 0.015 . 2 . . . . 117 R QB . 17019 1 765 . 1 1 67 67 ARG HD2 H 1 3.085 0.019 . 2 . . . . 117 R QD . 17019 1 766 . 1 1 67 67 ARG HD3 H 1 3.085 0.019 . 2 . . . . 117 R QD . 17019 1 767 . 1 1 67 67 ARG HG2 H 1 1.665 0.038 . 2 . . . . 117 R QG . 17019 1 768 . 1 1 67 67 ARG HG3 H 1 1.665 0.038 . 2 . . . . 117 R QG . 17019 1 769 . 1 1 67 67 ARG CA C 13 59.021 0.045 . 1 . . . . 117 R CA . 17019 1 770 . 1 1 67 67 ARG CB C 13 30.617 0.069 . 1 . . . . 117 R CB . 17019 1 771 . 1 1 67 67 ARG CD C 13 43.622 0.021 . 1 . . . . 117 R CD . 17019 1 772 . 1 1 67 67 ARG CG C 13 29.269 0.068 . 1 . . . . 117 R CG . 17019 1 773 . 1 1 67 67 ARG N N 15 113.397 0.036 . 1 . . . . 117 R N . 17019 1 774 . 1 1 68 68 SER H H 1 7.564 0.010 . 1 . . . . 118 S HN . 17019 1 775 . 1 1 68 68 SER HA H 1 4.409 0.003 . 1 . . . . 118 S HA . 17019 1 776 . 1 1 68 68 SER HB2 H 1 3.972 0.007 . 2 . . . . 118 S HB2 . 17019 1 777 . 1 1 68 68 SER HB3 H 1 3.925 0.004 . 2 . . . . 118 S HB3 . 17019 1 778 . 1 1 68 68 SER CA C 13 60.302 0.029 . 1 . . . . 118 S CA . 17019 1 779 . 1 1 68 68 SER CB C 13 64.164 0.055 . 1 . . . . 118 S CB . 17019 1 780 . 1 1 68 68 SER N N 15 112.522 0.018 . 1 . . . . 118 S N . 17019 1 781 . 1 1 69 69 ARG H H 1 8.159 0.009 . 1 . . . . 119 R HN . 17019 1 782 . 1 1 69 69 ARG HA H 1 4.889 0.019 . 1 . . . . 119 R HA . 17019 1 783 . 1 1 69 69 ARG HB2 H 1 1.958 0.007 . 2 . . . . 119 R QB . 17019 1 784 . 1 1 69 69 ARG HB3 H 1 1.958 0.007 . 2 . . . . 119 R QB . 17019 1 785 . 1 1 69 69 ARG HD2 H 1 3.260 0.005 . 2 . . . . 119 R HD2 . 17019 1 786 . 1 1 69 69 ARG HD3 H 1 3.219 0.008 . 2 . . . . 119 R HD3 . 17019 1 787 . 1 1 69 69 ARG HG2 H 1 1.661 0.006 . 2 . . . . 119 R HG2 . 17019 1 788 . 1 1 69 69 ARG HG3 H 1 1.611 0.002 . 2 . . . . 119 R HG3 . 17019 1 789 . 1 1 69 69 ARG CA C 13 53.691 0.200 . 1 . . . . 119 R CA . 17019 1 790 . 1 1 69 69 ARG CB C 13 30.779 0.092 . 1 . . . . 119 R CB . 17019 1 791 . 1 1 69 69 ARG CD C 13 43.947 0.038 . 1 . . . . 119 R CD . 17019 1 792 . 1 1 69 69 ARG CG C 13 27.461 0.056 . 1 . . . . 119 R CG . 17019 1 793 . 1 1 69 69 ARG N N 15 121.176 0.109 . 1 . . . . 119 R N . 17019 1 794 . 1 1 70 70 PRO HA H 1 4.518 0.016 . 1 . . . . 120 P HA . 17019 1 795 . 1 1 70 70 PRO HB2 H 1 2.480 0.008 . 2 . . . . 120 P HB2 . 17019 1 796 . 1 1 70 70 PRO HB3 H 1 2.010 0.003 . 2 . . . . 120 P HB3 . 17019 1 797 . 1 1 70 70 PRO HD2 H 1 3.685 0.006 . 2 . . . . 120 P HD2 . 17019 1 798 . 1 1 70 70 PRO HD3 H 1 3.395 0.007 . 2 . . . . 120 P HD3 . 17019 1 799 . 1 1 70 70 PRO HG2 H 1 2.082 0.005 . 2 . . . . 120 P HG2 . 17019 1 800 . 1 1 70 70 PRO HG3 H 1 2.023 0.007 . 2 . . . . 120 P HG3 . 17019 1 801 . 1 1 70 70 PRO CA C 13 65.360 0.064 . 1 . . . . 120 P CA . 17019 1 802 . 1 1 70 70 PRO CB C 13 31.703 0.110 . 1 . . . . 120 P CB . 17019 1 803 . 1 1 70 70 PRO CD C 13 50.368 0.090 . 1 . . . . 120 P CD . 17019 1 804 . 1 1 70 70 PRO CG C 13 27.453 0.089 . 1 . . . . 120 P CG . 17019 1 805 . 1 1 71 71 ALA H H 1 8.544 0.006 . 1 . . . . 121 A HN . 17019 1 806 . 1 1 71 71 ALA HA H 1 4.345 0.021 . 1 . . . . 121 A HA . 17019 1 807 . 1 1 71 71 ALA HB1 H 1 1.481 0.016 . 1 . . . . 121 A QB . 17019 1 808 . 1 1 71 71 ALA HB2 H 1 1.481 0.016 . 1 . . . . 121 A QB . 17019 1 809 . 1 1 71 71 ALA HB3 H 1 1.481 0.016 . 1 . . . . 121 A QB . 17019 1 810 . 1 1 71 71 ALA CA C 13 54.403 0.069 . 1 . . . . 121 A CA . 17019 1 811 . 1 1 71 71 ALA CB C 13 18.876 0.145 . 1 . . . . 121 A CB . 17019 1 812 . 1 1 71 71 ALA N N 15 119.958 0.105 . 1 . . . . 121 A N . 17019 1 813 . 1 1 72 72 LYS H H 1 7.933 0.007 . 1 . . . . 122 K HN . 17019 1 814 . 1 1 72 72 LYS HA H 1 4.498 0.021 . 1 . . . . 122 K HA . 17019 1 815 . 1 1 72 72 LYS HB2 H 1 1.817 0.007 . 2 . . . . 122 K HB2 . 17019 1 816 . 1 1 72 72 LYS HB3 H 1 1.757 0.016 . 2 . . . . 122 K HB3 . 17019 1 817 . 1 1 72 72 LYS HD2 H 1 1.638 0.020 . 2 . . . . 122 K QD . 17019 1 818 . 1 1 72 72 LYS HD3 H 1 1.638 0.020 . 2 . . . . 122 K QD . 17019 1 819 . 1 1 72 72 LYS HG2 H 1 1.458 0.011 . 2 . . . . 122 K HG2 . 17019 1 820 . 1 1 72 72 LYS HG3 H 1 1.210 0.002 . 2 . . . . 122 K HG3 . 17019 1 821 . 1 1 72 72 LYS CA C 13 54.767 0.131 . 1 . . . . 122 K CA . 17019 1 822 . 1 1 72 72 LYS CB C 13 32.121 0.108 . 1 . . . . 122 K CB . 17019 1 823 . 1 1 72 72 LYS CD C 13 29.094 0.075 . 1 . . . . 122 K CD . 17019 1 824 . 1 1 72 72 LYS CE C 13 42.228 0.200 . 1 . . . . 122 K CE . 17019 1 825 . 1 1 72 72 LYS CG C 13 25.545 0.085 . 1 . . . . 122 K CG . 17019 1 826 . 1 1 72 72 LYS N N 15 116.351 0.029 . 1 . . . . 122 K N . 17019 1 827 . 1 1 73 73 LEU H H 1 7.500 0.009 . 1 . . . . 123 L HN . 17019 1 828 . 1 1 73 73 LEU HA H 1 4.032 0.020 . 1 . . . . 123 L HA . 17019 1 829 . 1 1 73 73 LEU HB2 H 1 1.877 0.014 . 2 . . . . 123 L HB2 . 17019 1 830 . 1 1 73 73 LEU HB3 H 1 1.578 0.004 . 2 . . . . 123 L HB3 . 17019 1 831 . 1 1 73 73 LEU HD11 H 1 0.878 0.007 . . . . . . 123 L QD1 . 17019 1 832 . 1 1 73 73 LEU HD12 H 1 0.878 0.007 . . . . . . 123 L QD1 . 17019 1 833 . 1 1 73 73 LEU HD13 H 1 0.878 0.007 . . . . . . 123 L QD1 . 17019 1 834 . 1 1 73 73 LEU HD21 H 1 0.678 0.005 . . . . . . 123 L QD2 . 17019 1 835 . 1 1 73 73 LEU HD22 H 1 0.678 0.005 . . . . . . 123 L QD2 . 17019 1 836 . 1 1 73 73 LEU HD23 H 1 0.678 0.005 . . . . . . 123 L QD2 . 17019 1 837 . 1 1 73 73 LEU HG H 1 1.319 0.006 . 1 . . . . 123 L HG . 17019 1 838 . 1 1 73 73 LEU CA C 13 59.402 0.114 . 1 . . . . 123 L CA . 17019 1 839 . 1 1 73 73 LEU CB C 13 42.246 0.104 . 1 . . . . 123 L CB . 17019 1 840 . 1 1 73 73 LEU CD1 C 13 23.908 0.087 . 2 . . . . 123 L CD1 . 17019 1 841 . 1 1 73 73 LEU CD2 C 13 26.835 0.065 . 2 . . . . 123 L CD2 . 17019 1 842 . 1 1 73 73 LEU CG C 13 26.898 0.035 . 1 . . . . 123 L CG . 17019 1 843 . 1 1 73 73 LEU N N 15 120.155 0.048 . 1 . . . . 123 L N . 17019 1 844 . 1 1 74 74 TYR H H 1 8.476 0.006 . 1 . . . . 124 Y HN . 17019 1 845 . 1 1 74 74 TYR HA H 1 4.033 0.018 . 1 . . . . 124 Y HA . 17019 1 846 . 1 1 74 74 TYR HB2 H 1 2.832 0.007 . 2 . . . . 124 Y HB2 . 17019 1 847 . 1 1 74 74 TYR HB3 H 1 2.827 0.059 . 2 . . . . 124 Y HB3 . 17019 1 848 . 1 1 74 74 TYR HD1 H 1 7.061 0.005 . 3 . . . . 124 Y QD . 17019 1 849 . 1 1 74 74 TYR HD2 H 1 7.061 0.005 . 3 . . . . 124 Y QD . 17019 1 850 . 1 1 74 74 TYR HE1 H 1 6.732 0.004 . 3 . . . . 124 Y QE . 17019 1 851 . 1 1 74 74 TYR HE2 H 1 6.732 0.004 . 3 . . . . 124 Y QE . 17019 1 852 . 1 1 74 74 TYR CA C 13 62.576 0.118 . 1 . . . . 124 Y CA . 17019 1 853 . 1 1 74 74 TYR CB C 13 36.925 0.068 . 1 . . . . 124 Y CB . 17019 1 854 . 1 1 74 74 TYR CD1 C 13 132.551 0.128 . 3 . . . . 124 Y CD1 . 17019 1 855 . 1 1 74 74 TYR CE1 C 13 117.940 0.140 . 3 . . . . 124 Y CE1 . 17019 1 856 . 1 1 74 74 TYR N N 15 113.414 0.037 . 1 . . . . 124 Y N . 17019 1 857 . 1 1 75 75 VAL H H 1 7.378 0.011 . 1 . . . . 125 V HN . 17019 1 858 . 1 1 75 75 VAL HA H 1 3.574 0.014 . 1 . . . . 125 V HA . 17019 1 859 . 1 1 75 75 VAL HB H 1 1.799 0.024 . 1 . . . . 125 V HB . 17019 1 860 . 1 1 75 75 VAL HG11 H 1 0.749 0.008 . . . . . . 125 V QG1 . 17019 1 861 . 1 1 75 75 VAL HG12 H 1 0.749 0.008 . . . . . . 125 V QG1 . 17019 1 862 . 1 1 75 75 VAL HG13 H 1 0.749 0.008 . . . . . . 125 V QG1 . 17019 1 863 . 1 1 75 75 VAL HG21 H 1 0.783 0.027 . . . . . . 125 V QG2 . 17019 1 864 . 1 1 75 75 VAL HG22 H 1 0.783 0.027 . . . . . . 125 V QG2 . 17019 1 865 . 1 1 75 75 VAL HG23 H 1 0.783 0.027 . . . . . . 125 V QG2 . 17019 1 866 . 1 1 75 75 VAL CA C 13 66.039 0.038 . 1 . . . . 125 V CA . 17019 1 867 . 1 1 75 75 VAL CB C 13 31.174 0.050 . 1 . . . . 125 V CB . 17019 1 868 . 1 1 75 75 VAL CG1 C 13 21.082 0.089 . 2 . . . . 125 V CG1 . 17019 1 869 . 1 1 75 75 VAL CG2 C 13 22.305 0.109 . 2 . . . . 125 V CG2 . 17019 1 870 . 1 1 75 75 VAL N N 15 121.439 0.049 . 1 . . . . 125 V N . 17019 1 871 . 1 1 76 76 TYR H H 1 6.972 0.015 . 1 . . . . 126 Y HN . 17019 1 872 . 1 1 76 76 TYR HA H 1 4.619 0.002 . 1 . . . . 126 Y HA . 17019 1 873 . 1 1 76 76 TYR HB2 H 1 3.370 0.017 . 2 . . . . 126 Y HB2 . 17019 1 874 . 1 1 76 76 TYR HB3 H 1 3.016 0.005 . 2 . . . . 126 Y HB3 . 17019 1 875 . 1 1 76 76 TYR HD1 H 1 6.946 0.002 . 3 . . . . 126 Y QD . 17019 1 876 . 1 1 76 76 TYR HD2 H 1 6.946 0.002 . 3 . . . . 126 Y QD . 17019 1 877 . 1 1 76 76 TYR HE1 H 1 6.749 0.006 . 3 . . . . 126 Y QE . 17019 1 878 . 1 1 76 76 TYR HE2 H 1 6.749 0.006 . 3 . . . . 126 Y QE . 17019 1 879 . 1 1 76 76 TYR CA C 13 59.166 0.147 . 1 . . . . 126 Y CA . 17019 1 880 . 1 1 76 76 TYR CB C 13 37.199 0.112 . 1 . . . . 126 Y CB . 17019 1 881 . 1 1 76 76 TYR CD1 C 13 131.870 0.105 . 3 . . . . 126 Y CD1 . 17019 1 882 . 1 1 76 76 TYR CE1 C 13 118.519 0.138 . 3 . . . . 126 Y CE1 . 17019 1 883 . 1 1 76 76 TYR N N 15 121.762 0.057 . 1 . . . . 126 Y N . 17019 1 884 . 1 1 77 77 ILE H H 1 8.892 0.006 . 1 . . . . 127 I HN . 17019 1 885 . 1 1 77 77 ILE HA H 1 3.743 0.013 . 1 . . . . 127 I HA . 17019 1 886 . 1 1 77 77 ILE HB H 1 1.968 0.017 . 1 . . . . 127 I HB . 17019 1 887 . 1 1 77 77 ILE HD11 H 1 0.622 0.008 . 1 . . . . 127 I QD1 . 17019 1 888 . 1 1 77 77 ILE HD12 H 1 0.622 0.008 . 1 . . . . 127 I QD1 . 17019 1 889 . 1 1 77 77 ILE HD13 H 1 0.622 0.008 . 1 . . . . 127 I QD1 . 17019 1 890 . 1 1 77 77 ILE HG12 H 1 2.010 0.025 . 2 . . . . 127 I HG12 . 17019 1 891 . 1 1 77 77 ILE HG13 H 1 1.076 0.014 . 2 . . . . 127 I HG13 . 17019 1 892 . 1 1 77 77 ILE HG21 H 1 1.022 0.008 . 1 . . . . 127 I QG2 . 17019 1 893 . 1 1 77 77 ILE HG22 H 1 1.022 0.008 . 1 . . . . 127 I QG2 . 17019 1 894 . 1 1 77 77 ILE HG23 H 1 1.022 0.008 . 1 . . . . 127 I QG2 . 17019 1 895 . 1 1 77 77 ILE CA C 13 67.060 0.070 . 1 . . . . 127 I CA . 17019 1 896 . 1 1 77 77 ILE CB C 13 38.879 0.074 . 1 . . . . 127 I CB . 17019 1 897 . 1 1 77 77 ILE CD1 C 13 14.802 0.099 . 1 . . . . 127 I CD1 . 17019 1 898 . 1 1 77 77 ILE CG1 C 13 29.928 0.036 . 1 . . . . 127 I CG1 . 17019 1 899 . 1 1 77 77 ILE CG2 C 13 18.076 0.118 . 1 . . . . 127 I CG2 . 17019 1 900 . 1 1 77 77 ILE N N 15 119.703 0.067 . 1 . . . . 127 I N . 17019 1 901 . 1 1 78 78 ASN H H 1 8.201 0.010 . 1 . . . . 128 N HN . 17019 1 902 . 1 1 78 78 ASN HA H 1 4.434 0.003 . 1 . . . . 128 N HA . 17019 1 903 . 1 1 78 78 ASN HB2 H 1 2.928 0.020 . 2 . . . . 128 N HB2 . 17019 1 904 . 1 1 78 78 ASN HB3 H 1 2.859 0.002 . 2 . . . . 128 N HB3 . 17019 1 905 . 1 1 78 78 ASN HD21 H 1 7.553 0.008 . 2 . . . . 128 N HD21 . 17019 1 906 . 1 1 78 78 ASN HD22 H 1 6.935 0.011 . 2 . . . . 128 N HD22 . 17019 1 907 . 1 1 78 78 ASN CA C 13 57.360 0.040 . 1 . . . . 128 N CA . 17019 1 908 . 1 1 78 78 ASN CB C 13 38.727 0.111 . 1 . . . . 128 N CB . 17019 1 909 . 1 1 78 78 ASN N N 15 119.071 0.054 . 1 . . . . 128 N N . 17019 1 910 . 1 1 78 78 ASN ND2 N 15 112.818 0.136 . 1 . . . . 128 N ND2 . 17019 1 911 . 1 1 79 79 GLU H H 1 8.445 0.011 . 1 . . . . 129 E HN . 17019 1 912 . 1 1 79 79 GLU HA H 1 4.048 0.027 . 1 . . . . 129 E HA . 17019 1 913 . 1 1 79 79 GLU HB2 H 1 2.327 0.006 . 2 . . . . 129 E HB2 . 17019 1 914 . 1 1 79 79 GLU HB3 H 1 2.173 0.015 . 2 . . . . 129 E HB3 . 17019 1 915 . 1 1 79 79 GLU HG2 H 1 2.486 0.004 . 2 . . . . 129 E HG2 . 17019 1 916 . 1 1 79 79 GLU HG3 H 1 2.105 0.004 . 2 . . . . 129 E HG3 . 17019 1 917 . 1 1 79 79 GLU CA C 13 60.221 0.090 . 1 . . . . 129 E CA . 17019 1 918 . 1 1 79 79 GLU CB C 13 29.797 0.083 . 1 . . . . 129 E CB . 17019 1 919 . 1 1 79 79 GLU CG C 13 36.123 0.063 . 1 . . . . 129 E CG . 17019 1 920 . 1 1 79 79 GLU N N 15 122.576 0.047 . 1 . . . . 129 E N . 17019 1 921 . 1 1 80 80 LEU H H 1 8.257 0.012 . 1 . . . . 130 L HN . 17019 1 922 . 1 1 80 80 LEU HA H 1 4.142 0.019 . 1 . . . . 130 L HA . 17019 1 923 . 1 1 80 80 LEU HB2 H 1 1.928 0.008 . 2 . . . . 130 L HB2 . 17019 1 924 . 1 1 80 80 LEU HB3 H 1 1.647 0.009 . 2 . . . . 130 L HB3 . 17019 1 925 . 1 1 80 80 LEU HD11 H 1 0.820 0.002 . . . . . . 130 L QD1 . 17019 1 926 . 1 1 80 80 LEU HD12 H 1 0.820 0.002 . . . . . . 130 L QD1 . 17019 1 927 . 1 1 80 80 LEU HD13 H 1 0.820 0.002 . . . . . . 130 L QD1 . 17019 1 928 . 1 1 80 80 LEU HD21 H 1 0.792 0.012 . . . . . . 130 L QD2 . 17019 1 929 . 1 1 80 80 LEU HD22 H 1 0.792 0.012 . . . . . . 130 L QD2 . 17019 1 930 . 1 1 80 80 LEU HD23 H 1 0.792 0.012 . . . . . . 130 L QD2 . 17019 1 931 . 1 1 80 80 LEU HG H 1 1.745 0.003 . 1 . . . . 130 L HG . 17019 1 932 . 1 1 80 80 LEU CA C 13 57.908 0.135 . 1 . . . . 130 L CA . 17019 1 933 . 1 1 80 80 LEU CB C 13 42.244 0.059 . 1 . . . . 130 L CB . 17019 1 934 . 1 1 80 80 LEU CD1 C 13 24.546 0.121 . 2 . . . . 130 L CD1 . 17019 1 935 . 1 1 80 80 LEU CD2 C 13 26.231 0.142 . 2 . . . . 130 L CD2 . 17019 1 936 . 1 1 80 80 LEU CG C 13 27.116 0.097 . 1 . . . . 130 L CG . 17019 1 937 . 1 1 80 80 LEU N N 15 119.363 0.084 . 1 . . . . 130 L N . 17019 1 938 . 1 1 81 81 CYS H H 1 8.948 0.009 . 1 . . . . 131 C HN . 17019 1 939 . 1 1 81 81 CYS HA H 1 4.033 0.041 . 1 . . . . 131 C HA . 17019 1 940 . 1 1 81 81 CYS HB2 H 1 3.412 0.008 . 2 . . . . 131 C HB2 . 17019 1 941 . 1 1 81 81 CYS HB3 H 1 2.981 0.011 . 2 . . . . 131 C HB3 . 17019 1 942 . 1 1 81 81 CYS CA C 13 65.878 0.073 . 1 . . . . 131 C CA . 17019 1 943 . 1 1 81 81 CYS CB C 13 27.335 0.076 . 1 . . . . 131 C CB . 17019 1 944 . 1 1 81 81 CYS N N 15 116.561 0.039 . 1 . . . . 131 C N . 17019 1 945 . 1 1 82 82 THR H H 1 8.546 0.004 . 1 . . . . 132 T HN . 17019 1 946 . 1 1 82 82 THR HA H 1 3.929 0.009 . 1 . . . . 132 T HA . 17019 1 947 . 1 1 82 82 THR HB H 1 4.431 0.002 . 1 . . . . 132 T HB . 17019 1 948 . 1 1 82 82 THR HG21 H 1 1.249 0.012 . 1 . . . . 132 T QG2 . 17019 1 949 . 1 1 82 82 THR HG22 H 1 1.249 0.012 . 1 . . . . 132 T QG2 . 17019 1 950 . 1 1 82 82 THR HG23 H 1 1.249 0.012 . 1 . . . . 132 T QG2 . 17019 1 951 . 1 1 82 82 THR CA C 13 67.453 0.066 . 1 . . . . 132 T CA . 17019 1 952 . 1 1 82 82 THR CB C 13 68.774 0.051 . 1 . . . . 132 T CB . 17019 1 953 . 1 1 82 82 THR CG2 C 13 21.503 0.089 . 1 . . . . 132 T CG2 . 17019 1 954 . 1 1 82 82 THR N N 15 118.751 0.088 . 1 . . . . 132 T N . 17019 1 955 . 1 1 83 83 VAL H H 1 8.042 0.005 . 1 . . . . 133 V HN . 17019 1 956 . 1 1 83 83 VAL HA H 1 3.977 0.020 . 1 . . . . 133 V HA . 17019 1 957 . 1 1 83 83 VAL HB H 1 2.360 0.018 . 1 . . . . 133 V HB . 17019 1 958 . 1 1 83 83 VAL HG11 H 1 1.205 0.002 . . . . . . 133 V QG1 . 17019 1 959 . 1 1 83 83 VAL HG12 H 1 1.205 0.002 . . . . . . 133 V QG1 . 17019 1 960 . 1 1 83 83 VAL HG13 H 1 1.205 0.002 . . . . . . 133 V QG1 . 17019 1 961 . 1 1 83 83 VAL HG21 H 1 1.227 0.002 . . . . . . 133 V QG2 . 17019 1 962 . 1 1 83 83 VAL HG22 H 1 1.227 0.002 . . . . . . 133 V QG2 . 17019 1 963 . 1 1 83 83 VAL HG23 H 1 1.227 0.002 . . . . . . 133 V QG2 . 17019 1 964 . 1 1 83 83 VAL CA C 13 65.908 0.042 . 1 . . . . 133 V CA . 17019 1 965 . 1 1 83 83 VAL CB C 13 31.992 0.080 . 1 . . . . 133 V CB . 17019 1 966 . 1 1 83 83 VAL CG1 C 13 21.864 0.068 . 2 . . . . 133 V CG1 . 17019 1 967 . 1 1 83 83 VAL CG2 C 13 22.963 0.096 . 2 . . . . 133 V CG2 . 17019 1 968 . 1 1 83 83 VAL N N 15 122.765 0.043 . 1 . . . . 133 V N . 17019 1 969 . 1 1 84 84 LEU H H 1 8.301 0.012 . 1 . . . . 134 L HN . 17019 1 970 . 1 1 84 84 LEU HA H 1 3.788 0.019 . 1 . . . . 134 L HA . 17019 1 971 . 1 1 84 84 LEU HB2 H 1 1.858 0.008 . 2 . . . . 134 L HB2 . 17019 1 972 . 1 1 84 84 LEU HB3 H 1 1.154 0.018 . 2 . . . . 134 L HB3 . 17019 1 973 . 1 1 84 84 LEU HD11 H 1 0.809 0.012 . . . . . . 134 L QD1 . 17019 1 974 . 1 1 84 84 LEU HD12 H 1 0.809 0.012 . . . . . . 134 L QD1 . 17019 1 975 . 1 1 84 84 LEU HD13 H 1 0.809 0.012 . . . . . . 134 L QD1 . 17019 1 976 . 1 1 84 84 LEU HD21 H 1 0.621 0.004 . . . . . . 134 L QD2 . 17019 1 977 . 1 1 84 84 LEU HD22 H 1 0.621 0.004 . . . . . . 134 L QD2 . 17019 1 978 . 1 1 84 84 LEU HD23 H 1 0.621 0.004 . . . . . . 134 L QD2 . 17019 1 979 . 1 1 84 84 LEU HG H 1 1.837 0.010 . 1 . . . . 134 L HG . 17019 1 980 . 1 1 84 84 LEU CA C 13 58.446 0.051 . 1 . . . . 134 L CA . 17019 1 981 . 1 1 84 84 LEU CB C 13 41.903 0.158 . 1 . . . . 134 L CB . 17019 1 982 . 1 1 84 84 LEU CD1 C 13 25.816 0.110 . 2 . . . . 134 L CD1 . 17019 1 983 . 1 1 84 84 LEU CD2 C 13 23.465 0.104 . 2 . . . . 134 L CD2 . 17019 1 984 . 1 1 84 84 LEU CG C 13 27.463 0.106 . 1 . . . . 134 L CG . 17019 1 985 . 1 1 84 84 LEU N N 15 120.438 0.022 . 1 . . . . 134 L N . 17019 1 986 . 1 1 85 85 LYS H H 1 8.220 0.012 . 1 . . . . 135 K HN . 17019 1 987 . 1 1 85 85 LYS HA H 1 3.858 0.016 . 1 . . . . 135 K HA . 17019 1 988 . 1 1 85 85 LYS HB2 H 1 1.992 0.020 . 2 . . . . 135 K HB2 . 17019 1 989 . 1 1 85 85 LYS HB3 H 1 1.803 0.023 . 2 . . . . 135 K HB3 . 17019 1 990 . 1 1 85 85 LYS HD2 H 1 1.607 0.020 . 2 . . . . 135 K QD . 17019 1 991 . 1 1 85 85 LYS HD3 H 1 1.607 0.020 . 2 . . . . 135 K QD . 17019 1 992 . 1 1 85 85 LYS HG2 H 1 1.389 0.017 . 2 . . . . 135 K QG . 17019 1 993 . 1 1 85 85 LYS HG3 H 1 1.389 0.017 . 2 . . . . 135 K QG . 17019 1 994 . 1 1 85 85 LYS CA C 13 59.509 0.076 . 1 . . . . 135 K CA . 17019 1 995 . 1 1 85 85 LYS CB C 13 32.584 0.119 . 1 . . . . 135 K CB . 17019 1 996 . 1 1 85 85 LYS CE C 13 42.152 0.200 . 1 . . . . 135 K CE . 17019 1 997 . 1 1 85 85 LYS CG C 13 25.250 0.102 . 1 . . . . 135 K CG . 17019 1 998 . 1 1 85 85 LYS N N 15 122.146 0.066 . 1 . . . . 135 K N . 17019 1 999 . 1 1 86 86 ALA H H 1 7.630 0.011 . 1 . . . . 136 A HN . 17019 1 1000 . 1 1 86 86 ALA HA H 1 4.040 0.019 . 1 . . . . 136 A HA . 17019 1 1001 . 1 1 86 86 ALA HB1 H 1 1.267 0.014 . 1 . . . . 136 A QB . 17019 1 1002 . 1 1 86 86 ALA HB2 H 1 1.267 0.014 . 1 . . . . 136 A QB . 17019 1 1003 . 1 1 86 86 ALA HB3 H 1 1.267 0.014 . 1 . . . . 136 A QB . 17019 1 1004 . 1 1 86 86 ALA CA C 13 53.865 0.076 . 1 . . . . 136 A CA . 17019 1 1005 . 1 1 86 86 ALA CB C 13 17.968 0.121 . 1 . . . . 136 A CB . 17019 1 1006 . 1 1 86 86 ALA N N 15 120.567 0.034 . 1 . . . . 136 A N . 17019 1 1007 . 1 1 87 87 HIS H H 1 7.044 0.013 . 1 . . . . 137 H HN . 17019 1 1008 . 1 1 87 87 HIS HA H 1 4.509 0.020 . 1 . . . . 137 H HA . 17019 1 1009 . 1 1 87 87 HIS HB2 H 1 2.971 0.026 . 2 . . . . 137 H HB2 . 17019 1 1010 . 1 1 87 87 HIS HB3 H 1 1.872 0.025 . 2 . . . . 137 H HB3 . 17019 1 1011 . 1 1 87 87 HIS HD2 H 1 6.737 0.003 . 1 . . . . 137 H HD2 . 17019 1 1012 . 1 1 87 87 HIS HE1 H 1 8.145 0.002 . 1 . . . . 137 H HE1 . 17019 1 1013 . 1 1 87 87 HIS CA C 13 54.659 0.038 . 1 . . . . 137 H CA . 17019 1 1014 . 1 1 87 87 HIS CB C 13 28.271 0.100 . 1 . . . . 137 H CB . 17019 1 1015 . 1 1 87 87 HIS CD2 C 13 120.696 0.095 . 1 . . . . 137 H CD2 . 17019 1 1016 . 1 1 87 87 HIS CE1 C 13 135.867 0.193 . 1 . . . . 137 H CE1 . 17019 1 1017 . 1 1 87 87 HIS N N 15 114.817 0.026 . 1 . . . . 137 H N . 17019 1 1018 . 1 1 88 88 SER H H 1 7.146 0.013 . 1 . . . . 138 S HN . 17019 1 1019 . 1 1 88 88 SER HA H 1 4.448 0.010 . 1 . . . . 138 S HA . 17019 1 1020 . 1 1 88 88 SER HB2 H 1 3.934 0.017 . 2 . . . . 138 S HB2 . 17019 1 1021 . 1 1 88 88 SER HB3 H 1 3.799 0.017 . 2 . . . . 138 S HB3 . 17019 1 1022 . 1 1 88 88 SER CA C 13 58.828 0.051 . 1 . . . . 138 S CA . 17019 1 1023 . 1 1 88 88 SER CB C 13 64.495 0.109 . 1 . . . . 138 S CB . 17019 1 1024 . 1 1 88 88 SER N N 15 114.037 0.055 . 1 . . . . 138 S N . 17019 1 1025 . 1 1 89 89 ALA H H 1 8.847 0.004 . 1 . . . . 139 A HN . 17019 1 1026 . 1 1 89 89 ALA HA H 1 4.243 0.014 . 1 . . . . 139 A HA . 17019 1 1027 . 1 1 89 89 ALA HB1 H 1 1.332 0.017 . 1 . . . . 139 A QB . 17019 1 1028 . 1 1 89 89 ALA HB2 H 1 1.332 0.017 . 1 . . . . 139 A QB . 17019 1 1029 . 1 1 89 89 ALA HB3 H 1 1.332 0.017 . 1 . . . . 139 A QB . 17019 1 1030 . 1 1 89 89 ALA CA C 13 53.228 0.080 . 1 . . . . 139 A CA . 17019 1 1031 . 1 1 89 89 ALA CB C 13 19.355 0.123 . 1 . . . . 139 A CB . 17019 1 1032 . 1 1 89 89 ALA N N 15 126.997 0.021 . 1 . . . . 139 A N . 17019 1 1033 . 1 1 90 90 LYS H H 1 8.332 0.006 . 1 . . . . 140 K HN . 17019 1 1034 . 1 1 90 90 LYS HA H 1 4.336 0.020 . 1 . . . . 140 K HA . 17019 1 1035 . 1 1 90 90 LYS HB2 H 1 1.856 0.020 . 2 . . . . 140 K QB . 17019 1 1036 . 1 1 90 90 LYS HB3 H 1 1.856 0.020 . 2 . . . . 140 K QB . 17019 1 1037 . 1 1 90 90 LYS HD2 H 1 1.728 0.020 . 2 . . . . 140 K QD . 17019 1 1038 . 1 1 90 90 LYS HD3 H 1 1.728 0.020 . 2 . . . . 140 K QD . 17019 1 1039 . 1 1 90 90 LYS HG2 H 1 1.450 0.020 . 2 . . . . 140 K QG . 17019 1 1040 . 1 1 90 90 LYS HG3 H 1 1.450 0.020 . 2 . . . . 140 K QG . 17019 1 1041 . 1 1 90 90 LYS CA C 13 56.092 0.027 . 1 . . . . 140 K CA . 17019 1 1042 . 1 1 90 90 LYS CB C 13 33.064 0.002 . 1 . . . . 140 K CB . 17019 1 1043 . 1 1 90 90 LYS CD C 13 29.161 0.200 . 1 . . . . 140 K CD . 17019 1 1044 . 1 1 90 90 LYS CE C 13 42.184 0.200 . 1 . . . . 140 K CE . 17019 1 1045 . 1 1 90 90 LYS CG C 13 24.847 0.200 . 1 . . . . 140 K CG . 17019 1 1046 . 1 1 90 90 LYS N N 15 119.865 0.032 . 1 . . . . 140 K N . 17019 1 1047 . 1 1 91 91 LYS H H 1 8.190 0.004 . 1 . . . . 141 K HN . 17019 1 1048 . 1 1 91 91 LYS HA H 1 4.284 0.010 . 1 . . . . 141 K HA . 17019 1 1049 . 1 1 91 91 LYS HB2 H 1 1.803 0.020 . 2 . . . . 141 K HB2 . 17019 1 1050 . 1 1 91 91 LYS HB3 H 1 1.699 0.002 . 2 . . . . 141 K HB3 . 17019 1 1051 . 1 1 91 91 LYS HD2 H 1 1.787 0.020 . 2 . . . . 141 K QD . 17019 1 1052 . 1 1 91 91 LYS HD3 H 1 1.787 0.020 . 2 . . . . 141 K QD . 17019 1 1053 . 1 1 91 91 LYS HE2 H 1 3.006 0.020 . 2 . . . . 141 K QE . 17019 1 1054 . 1 1 91 91 LYS HE3 H 1 3.006 0.020 . 2 . . . . 141 K QE . 17019 1 1055 . 1 1 91 91 LYS HG2 H 1 1.405 0.012 . 2 . . . . 141 K QG . 17019 1 1056 . 1 1 91 91 LYS HG3 H 1 1.405 0.012 . 2 . . . . 141 K QG . 17019 1 1057 . 1 1 91 91 LYS CA C 13 56.238 0.034 . 1 . . . . 141 K CA . 17019 1 1058 . 1 1 91 91 LYS CB C 13 33.367 0.061 . 1 . . . . 141 K CB . 17019 1 1059 . 1 1 91 91 LYS CD C 13 29.202 0.200 . 1 . . . . 141 K CD . 17019 1 1060 . 1 1 91 91 LYS CE C 13 42.175 0.200 . 1 . . . . 141 K CE . 17019 1 1061 . 1 1 91 91 LYS CG C 13 24.772 0.009 . 1 . . . . 141 K CG . 17019 1 1062 . 1 1 91 91 LYS N N 15 122.774 0.021 . 1 . . . . 141 K N . 17019 1 1063 . 1 1 92 92 LYS H H 1 8.342 0.002 . 1 . . . . 142 K HN . 17019 1 1064 . 1 1 92 92 LYS HA H 1 4.336 0.020 . 1 . . . . 142 K HA . 17019 1 1065 . 1 1 92 92 LYS HB2 H 1 1.813 0.021 . 2 . . . . 142 K HB2 . 17019 1 1066 . 1 1 92 92 LYS HB3 H 1 1.708 0.001 . 2 . . . . 142 K HB3 . 17019 1 1067 . 1 1 92 92 LYS HD2 H 1 1.764 0.009 . 2 . . . . 142 K QD . 17019 1 1068 . 1 1 92 92 LYS HD3 H 1 1.764 0.009 . 2 . . . . 142 K QD . 17019 1 1069 . 1 1 92 92 LYS HE2 H 1 3.017 0.020 . 2 . . . . 142 K QE . 17019 1 1070 . 1 1 92 92 LYS HE3 H 1 3.017 0.020 . 2 . . . . 142 K QE . 17019 1 1071 . 1 1 92 92 LYS HG2 H 1 1.442 0.020 . 2 . . . . 142 K QG . 17019 1 1072 . 1 1 92 92 LYS HG3 H 1 1.442 0.020 . 2 . . . . 142 K QG . 17019 1 1073 . 1 1 92 92 LYS CA C 13 56.294 0.029 . 1 . . . . 142 K CA . 17019 1 1074 . 1 1 92 92 LYS CB C 13 33.270 0.081 . 1 . . . . 142 K CB . 17019 1 1075 . 1 1 92 92 LYS CD C 13 29.253 0.200 . 1 . . . . 142 K CD . 17019 1 1076 . 1 1 92 92 LYS CE C 13 42.166 0.200 . 1 . . . . 142 K CE . 17019 1 1077 . 1 1 92 92 LYS CG C 13 24.766 0.200 . 1 . . . . 142 K CG . 17019 1 1078 . 1 1 92 92 LYS N N 15 123.500 0.037 . 1 . . . . 142 K N . 17019 1 1079 . 1 1 93 93 LEU H H 1 8.385 0.002 . 1 . . . . 143 L HN . 17019 1 1080 . 1 1 93 93 LEU HA H 1 4.341 0.019 . 1 . . . . 143 L HA . 17019 1 1081 . 1 1 93 93 LEU HB2 H 1 1.585 0.004 . 2 . . . . 143 L QB . 17019 1 1082 . 1 1 93 93 LEU HB3 H 1 1.585 0.004 . 2 . . . . 143 L QB . 17019 1 1083 . 1 1 93 93 LEU HD11 H 1 0.879 0.001 . . . . . . 143 L QD1 . 17019 1 1084 . 1 1 93 93 LEU HD12 H 1 0.879 0.001 . . . . . . 143 L QD1 . 17019 1 1085 . 1 1 93 93 LEU HD13 H 1 0.879 0.001 . . . . . . 143 L QD1 . 17019 1 1086 . 1 1 93 93 LEU HD21 H 1 0.821 0.005 . . . . . . 143 L QD2 . 17019 1 1087 . 1 1 93 93 LEU HD22 H 1 0.821 0.005 . . . . . . 143 L QD2 . 17019 1 1088 . 1 1 93 93 LEU HD23 H 1 0.821 0.005 . . . . . . 143 L QD2 . 17019 1 1089 . 1 1 93 93 LEU HG H 1 1.597 0.005 . 1 . . . . 143 L HG . 17019 1 1090 . 1 1 93 93 LEU CA C 13 55.231 0.030 . 1 . . . . 143 L CA . 17019 1 1091 . 1 1 93 93 LEU CB C 13 42.543 0.059 . 1 . . . . 143 L CB . 17019 1 1092 . 1 1 93 93 LEU CD1 C 13 25.024 0.024 . 2 . . . . 143 L CD1 . 17019 1 1093 . 1 1 93 93 LEU CD2 C 13 23.505 0.111 . 2 . . . . 143 L CD2 . 17019 1 1094 . 1 1 93 93 LEU CG C 13 27.034 0.038 . 1 . . . . 143 L CG . 17019 1 1095 . 1 1 93 93 LEU N N 15 124.831 0.025 . 1 . . . . 143 L N . 17019 1 1096 . 1 1 94 94 ASN H H 1 7.908 0.005 . 1 . . . . 144 N HN . 17019 1 1097 . 1 1 94 94 ASN HA H 1 4.385 0.017 . 1 . . . . 144 N HA . 17019 1 1098 . 1 1 94 94 ASN HB2 H 1 2.724 0.002 . 2 . . . . 144 N HB2 . 17019 1 1099 . 1 1 94 94 ASN HB3 H 1 2.676 0.006 . 2 . . . . 144 N HB3 . 17019 1 1100 . 1 1 94 94 ASN HD21 H 1 7.490 0.002 . 2 . . . . 144 N HD21 . 17019 1 1101 . 1 1 94 94 ASN HD22 H 1 6.772 0.002 . 2 . . . . 144 N HD22 . 17019 1 1102 . 1 1 94 94 ASN CA C 13 54.689 0.040 . 1 . . . . 144 N CA . 17019 1 1103 . 1 1 94 94 ASN CB C 13 40.392 0.059 . 1 . . . . 144 N CB . 17019 1 1104 . 1 1 94 94 ASN N N 15 123.914 0.032 . 1 . . . . 144 N N . 17019 1 1105 . 1 1 94 94 ASN ND2 N 15 112.654 0.022 . 1 . . . . 144 N ND2 . 17019 1 1106 . 2 2 1 1 GLY HA2 H 1 3.870 0.020 . 2 . . . . 22 G HA . 17019 1 1107 . 2 2 1 1 GLY HA3 H 1 3.870 0.020 . 2 . . . . 22 G HA . 17019 1 1108 . 2 2 1 1 GLY CA C 13 43.626 0.200 . 1 . . . . 22 G CA . 17019 1 1109 . 2 2 2 2 SER HA H 1 4.497 0.030 . 1 . . . . 23 S HA . 17019 1 1110 . 2 2 2 2 SER HB2 H 1 3.933 0.020 . 2 . . . . 23 S QB . 17019 1 1111 . 2 2 2 2 SER HB3 H 1 3.933 0.020 . 2 . . . . 23 S QB . 17019 1 1112 . 2 2 2 2 SER CA C 13 58.751 0.064 . 1 . . . . 23 S CA . 17019 1 1113 . 2 2 2 2 SER CB C 13 63.959 0.048 . 1 . . . . 23 S CB . 17019 1 1114 . 2 2 3 3 GLN H H 1 8.675 0.015 . 1 . . . . 24 Q HN . 17019 1 1115 . 2 2 3 3 GLN HA H 1 4.298 0.019 . 1 . . . . 24 Q HA . 17019 1 1116 . 2 2 3 3 GLN HB2 H 1 2.093 0.006 . 2 . . . . 24 Q HB2 . 17019 1 1117 . 2 2 3 3 GLN HB3 H 1 2.006 0.009 . 2 . . . . 24 Q HB3 . 17019 1 1118 . 2 2 3 3 GLN HE21 H 1 7.595 0.008 . 2 . . . . 24 Q HE21 . 17019 1 1119 . 2 2 3 3 GLN HE22 H 1 6.836 0.008 . 2 . . . . 24 Q HE22 . 17019 1 1120 . 2 2 3 3 GLN HG2 H 1 2.349 0.012 . 2 . . . . 24 Q QG . 17019 1 1121 . 2 2 3 3 GLN HG3 H 1 2.349 0.012 . 2 . . . . 24 Q QG . 17019 1 1122 . 2 2 3 3 GLN CA C 13 56.596 0.092 . 1 . . . . 24 Q CA . 17019 1 1123 . 2 2 3 3 GLN CB C 13 29.216 0.090 . 1 . . . . 24 Q CB . 17019 1 1124 . 2 2 3 3 GLN CG C 13 34.003 0.061 . 1 . . . . 24 Q CG . 17019 1 1125 . 2 2 3 3 GLN N N 15 122.166 0.043 . 1 . . . . 24 Q N . 17019 1 1126 . 2 2 3 3 GLN NE2 N 15 112.694 0.041 . 1 . . . . 24 Q NE2 . 17019 1 1127 . 2 2 4 4 GLU H H 1 8.453 0.014 . 1 . . . . 25 E HN . 17019 1 1128 . 2 2 4 4 GLU HA H 1 4.287 0.006 . 1 . . . . 25 E HA . 17019 1 1129 . 2 2 4 4 GLU HB2 H 1 2.052 0.005 . 2 . . . . 25 E HB2 . 17019 1 1130 . 2 2 4 4 GLU HB3 H 1 1.994 0.005 . 2 . . . . 25 E HB3 . 17019 1 1131 . 2 2 4 4 GLU HG2 H 1 2.288 0.020 . 2 . . . . 25 E QG . 17019 1 1132 . 2 2 4 4 GLU HG3 H 1 2.288 0.020 . 2 . . . . 25 E QG . 17019 1 1133 . 2 2 4 4 GLU CA C 13 56.928 0.243 . 1 . . . . 25 E CA . 17019 1 1134 . 2 2 4 4 GLU CB C 13 30.049 0.056 . 1 . . . . 25 E CB . 17019 1 1135 . 2 2 4 4 GLU CG C 13 36.489 0.009 . 1 . . . . 25 E CG . 17019 1 1136 . 2 2 4 4 GLU N N 15 121.085 0.036 . 1 . . . . 25 E N . 17019 1 1137 . 2 2 5 5 ASP H H 1 8.277 0.013 . 1 . . . . 26 D HN . 17019 1 1138 . 2 2 5 5 ASP HA H 1 4.617 0.017 . 1 . . . . 26 D HA . 17019 1 1139 . 2 2 5 5 ASP HB2 H 1 2.721 0.014 . 2 . . . . 26 D HB2 . 17019 1 1140 . 2 2 5 5 ASP HB3 H 1 2.647 0.018 . 2 . . . . 26 D HB3 . 17019 1 1141 . 2 2 5 5 ASP CA C 13 54.709 0.055 . 1 . . . . 26 D CA . 17019 1 1142 . 2 2 5 5 ASP CB C 13 41.217 0.063 . 1 . . . . 26 D CB . 17019 1 1143 . 2 2 5 5 ASP N N 15 120.965 0.036 . 1 . . . . 26 D N . 17019 1 1144 . 2 2 6 6 SER H H 1 8.204 0.011 . 1 . . . . 27 S HN . 17019 1 1145 . 2 2 6 6 SER HA H 1 4.412 0.012 . 1 . . . . 27 S HA . 17019 1 1146 . 2 2 6 6 SER HB2 H 1 3.893 0.015 . 2 . . . . 27 S HB2 . 17019 1 1147 . 2 2 6 6 SER HB3 H 1 3.853 0.003 . 2 . . . . 27 S HB3 . 17019 1 1148 . 2 2 6 6 SER CA C 13 58.918 0.064 . 1 . . . . 27 S CA . 17019 1 1149 . 2 2 6 6 SER CB C 13 63.873 0.060 . 1 . . . . 27 S CB . 17019 1 1150 . 2 2 6 6 SER N N 15 115.975 0.037 . 1 . . . . 27 S N . 17019 1 1151 . 2 2 7 7 ASP H H 1 8.458 0.012 . 1 . . . . 28 D HN . 17019 1 1152 . 2 2 7 7 ASP HA H 1 4.653 0.017 . 1 . . . . 28 D HA . 17019 1 1153 . 2 2 7 7 ASP HB2 H 1 2.753 0.015 . 2 . . . . 28 D HB2 . 17019 1 1154 . 2 2 7 7 ASP HB3 H 1 2.673 0.025 . 2 . . . . 28 D HB3 . 17019 1 1155 . 2 2 7 7 ASP CA C 13 55.000 0.081 . 1 . . . . 28 D CA . 17019 1 1156 . 2 2 7 7 ASP CB C 13 41.227 0.051 . 1 . . . . 28 D CB . 17019 1 1157 . 2 2 7 7 ASP N N 15 122.600 0.051 . 1 . . . . 28 D N . 17019 1 1158 . 2 2 8 8 SER H H 1 8.227 0.011 . 1 . . . . 29 S HN . 17019 1 1159 . 2 2 8 8 SER HA H 1 4.344 0.014 . 1 . . . . 29 S HA . 17019 1 1160 . 2 2 8 8 SER HB2 H 1 3.901 0.001 . 2 . . . . 29 S HB2 . 17019 1 1161 . 2 2 8 8 SER HB3 H 1 3.852 0.004 . 2 . . . . 29 S HB3 . 17019 1 1162 . 2 2 8 8 SER CA C 13 59.550 0.050 . 1 . . . . 29 S CA . 17019 1 1163 . 2 2 8 8 SER CB C 13 63.782 0.146 . 1 . . . . 29 S CB . 17019 1 1164 . 2 2 8 8 SER N N 15 116.313 0.044 . 1 . . . . 29 S N . 17019 1 1165 . 2 2 9 9 GLU H H 1 8.393 0.014 . 1 . . . . 30 E HN . 17019 1 1166 . 2 2 9 9 GLU HA H 1 4.228 0.013 . 1 . . . . 30 E HA . 17019 1 1167 . 2 2 9 9 GLU HB2 H 1 2.039 0.012 . 2 . . . . 30 E QB . 17019 1 1168 . 2 2 9 9 GLU HB3 H 1 2.039 0.012 . 2 . . . . 30 E QB . 17019 1 1169 . 2 2 9 9 GLU HG2 H 1 2.281 0.022 . 2 . . . . 30 E QG . 17019 1 1170 . 2 2 9 9 GLU HG3 H 1 2.281 0.022 . 2 . . . . 30 E QG . 17019 1 1171 . 2 2 9 9 GLU CA C 13 57.366 0.159 . 1 . . . . 30 E CA . 17019 1 1172 . 2 2 9 9 GLU CB C 13 30.120 0.092 . 1 . . . . 30 E CB . 17019 1 1173 . 2 2 9 9 GLU CG C 13 36.611 0.059 . 1 . . . . 30 E CG . 17019 1 1174 . 2 2 9 9 GLU N N 15 122.385 0.046 . 1 . . . . 30 E N . 17019 1 1175 . 2 2 10 10 LEU H H 1 7.967 0.011 . 1 . . . . 31 L HN . 17019 1 1176 . 2 2 10 10 LEU HA H 1 4.112 0.006 . 1 . . . . 31 L HA . 17019 1 1177 . 2 2 10 10 LEU HB2 H 1 1.551 0.013 . 2 . . . . 31 L HB2 . 17019 1 1178 . 2 2 10 10 LEU HB3 H 1 1.506 0.009 . 2 . . . . 31 L HB3 . 17019 1 1179 . 2 2 10 10 LEU HD11 H 1 0.831 0.010 . . . . . . 31 L QD1 . 17019 1 1180 . 2 2 10 10 LEU HD12 H 1 0.831 0.010 . . . . . . 31 L QD1 . 17019 1 1181 . 2 2 10 10 LEU HD13 H 1 0.831 0.010 . . . . . . 31 L QD1 . 17019 1 1182 . 2 2 10 10 LEU HD21 H 1 0.773 0.010 . . . . . . 31 L QD2 . 17019 1 1183 . 2 2 10 10 LEU HD22 H 1 0.773 0.010 . . . . . . 31 L QD2 . 17019 1 1184 . 2 2 10 10 LEU HD23 H 1 0.773 0.010 . . . . . . 31 L QD2 . 17019 1 1185 . 2 2 10 10 LEU HG H 1 1.511 0.005 . 1 . . . . 31 L HG . 17019 1 1186 . 2 2 10 10 LEU CA C 13 56.036 0.039 . 1 . . . . 31 L CA . 17019 1 1187 . 2 2 10 10 LEU CB C 13 42.096 0.060 . 1 . . . . 31 L CB . 17019 1 1188 . 2 2 10 10 LEU CD1 C 13 25.210 0.228 . 2 . . . . 31 L CD1 . 17019 1 1189 . 2 2 10 10 LEU CD2 C 13 24.156 0.070 . 2 . . . . 31 L CD2 . 17019 1 1190 . 2 2 10 10 LEU CG C 13 27.196 0.073 . 1 . . . . 31 L CG . 17019 1 1191 . 2 2 10 10 LEU N N 15 120.782 0.067 . 1 . . . . 31 L N . 17019 1 1192 . 2 2 11 11 GLU H H 1 8.097 0.014 . 1 . . . . 32 E HN . 17019 1 1193 . 2 2 11 11 GLU HA H 1 3.976 0.010 . 1 . . . . 32 E HA . 17019 1 1194 . 2 2 11 11 GLU HB2 H 1 1.949 0.010 . 2 . . . . 32 E QB . 17019 1 1195 . 2 2 11 11 GLU HB3 H 1 1.949 0.010 . 2 . . . . 32 E QB . 17019 1 1196 . 2 2 11 11 GLU HG2 H 1 2.221 0.012 . 2 . . . . 32 E QG . 17019 1 1197 . 2 2 11 11 GLU HG3 H 1 2.221 0.012 . 2 . . . . 32 E QG . 17019 1 1198 . 2 2 11 11 GLU CA C 13 58.003 0.045 . 1 . . . . 32 E CA . 17019 1 1199 . 2 2 11 11 GLU CB C 13 29.966 0.091 . 1 . . . . 32 E CB . 17019 1 1200 . 2 2 11 11 GLU CG C 13 36.532 0.042 . 1 . . . . 32 E CG . 17019 1 1201 . 2 2 11 11 GLU N N 15 119.612 0.043 . 1 . . . . 32 E N . 17019 1 1202 . 2 2 12 12 GLN H H 1 8.001 0.012 . 1 . . . . 33 Q HN . 17019 1 1203 . 2 2 12 12 GLN HA H 1 4.074 0.006 . 1 . . . . 33 Q HA . 17019 1 1204 . 2 2 12 12 GLN HB2 H 1 1.836 0.006 . 2 . . . . 33 Q QB . 17019 1 1205 . 2 2 12 12 GLN HB3 H 1 1.836 0.006 . 2 . . . . 33 Q QB . 17019 1 1206 . 2 2 12 12 GLN HE21 H 1 7.370 0.010 . 2 . . . . 33 Q HE21 . 17019 1 1207 . 2 2 12 12 GLN HE22 H 1 6.775 0.009 . 2 . . . . 33 Q HE22 . 17019 1 1208 . 2 2 12 12 GLN HG2 H 1 2.074 0.012 . 2 . . . . 33 Q QG . 17019 1 1209 . 2 2 12 12 GLN HG3 H 1 2.074 0.012 . 2 . . . . 33 Q QG . 17019 1 1210 . 2 2 12 12 GLN CA C 13 56.772 0.041 . 1 . . . . 33 Q CA . 17019 1 1211 . 2 2 12 12 GLN CB C 13 29.039 0.097 . 1 . . . . 33 Q CB . 17019 1 1212 . 2 2 12 12 GLN CG C 13 33.711 0.051 . 1 . . . . 33 Q CG . 17019 1 1213 . 2 2 12 12 GLN N N 15 118.767 0.038 . 1 . . . . 33 Q N . 17019 1 1214 . 2 2 12 12 GLN NE2 N 15 112.121 0.040 . 1 . . . . 33 Q NE2 . 17019 1 1215 . 2 2 13 13 TYR H H 1 7.840 0.015 . 1 . . . . 34 Y HN . 17019 1 1216 . 2 2 13 13 TYR HA H 1 4.270 0.016 . 1 . . . . 34 Y HA . 17019 1 1217 . 2 2 13 13 TYR HB2 H 1 2.688 0.005 . 2 . . . . 34 Y HB2 . 17019 1 1218 . 2 2 13 13 TYR HB3 H 1 2.766 0.014 . 2 . . . . 34 Y HB3 . 17019 1 1219 . 2 2 13 13 TYR HD1 H 1 6.758 0.009 . 3 . . . . 34 Y QD . 17019 1 1220 . 2 2 13 13 TYR HD2 H 1 6.758 0.009 . 3 . . . . 34 Y QD . 17019 1 1221 . 2 2 13 13 TYR HE1 H 1 6.609 0.003 . 3 . . . . 34 Y QE . 17019 1 1222 . 2 2 13 13 TYR HE2 H 1 6.609 0.003 . 3 . . . . 34 Y QE . 17019 1 1223 . 2 2 13 13 TYR CA C 13 58.683 0.048 . 1 . . . . 34 Y CA . 17019 1 1224 . 2 2 13 13 TYR CB C 13 38.499 0.074 . 1 . . . . 34 Y CB . 17019 1 1225 . 2 2 13 13 TYR CD1 C 13 132.596 0.068 . 3 . . . . 34 Y CD1 . 17019 1 1226 . 2 2 13 13 TYR CE1 C 13 117.921 0.129 . 3 . . . . 34 Y CE1 . 17019 1 1227 . 2 2 13 13 TYR N N 15 119.616 0.066 . 1 . . . . 34 Y N . 17019 1 1228 . 2 2 14 14 PHE H H 1 7.895 0.010 . 1 . . . . 35 F HN . 17019 1 1229 . 2 2 14 14 PHE HA H 1 4.451 0.012 . 1 . . . . 35 F HA . 17019 1 1230 . 2 2 14 14 PHE HB2 H 1 3.039 0.006 . 2 . . . . 35 F HB2 . 17019 1 1231 . 2 2 14 14 PHE HB3 H 1 2.896 0.039 . 2 . . . . 35 F HB3 . 17019 1 1232 . 2 2 14 14 PHE HD1 H 1 7.098 0.016 . 3 . . . . 35 F QD . 17019 1 1233 . 2 2 14 14 PHE HD2 H 1 7.098 0.016 . 3 . . . . 35 F QD . 17019 1 1234 . 2 2 14 14 PHE HE1 H 1 7.162 0.011 . 3 . . . . 35 F QE . 17019 1 1235 . 2 2 14 14 PHE HE2 H 1 7.162 0.011 . 3 . . . . 35 F QE . 17019 1 1236 . 2 2 14 14 PHE HZ H 1 7.068 0.008 . 1 . . . . 35 F HZ . 17019 1 1237 . 2 2 14 14 PHE CA C 13 58.176 0.022 . 1 . . . . 35 F CA . 17019 1 1238 . 2 2 14 14 PHE CB C 13 38.331 5.092 . 1 . . . . 35 F CB . 17019 1 1239 . 2 2 14 14 PHE CD1 C 13 131.378 0.106 . 3 . . . . 35 F CD1 . 17019 1 1240 . 2 2 14 14 PHE CE1 C 13 131.149 0.149 . 3 . . . . 35 F CE1 . 17019 1 1241 . 2 2 14 14 PHE CZ C 13 129.119 0.111 . 1 . . . . 35 F CZ . 17019 1 1242 . 2 2 14 14 PHE N N 15 118.796 0.049 . 1 . . . . 35 F N . 17019 1 1243 . 2 2 15 15 THR H H 1 7.796 0.010 . 1 . . . . 36 T HN . 17019 1 1244 . 2 2 15 15 THR HA H 1 4.063 0.018 . 1 . . . . 36 T HA . 17019 1 1245 . 2 2 15 15 THR HB H 1 4.064 0.008 . 1 . . . . 36 T HB . 17019 1 1246 . 2 2 15 15 THR HG21 H 1 1.067 0.009 . 1 . . . . 36 T QG2 . 17019 1 1247 . 2 2 15 15 THR HG22 H 1 1.067 0.009 . 1 . . . . 36 T QG2 . 17019 1 1248 . 2 2 15 15 THR HG23 H 1 1.067 0.009 . 1 . . . . 36 T QG2 . 17019 1 1249 . 2 2 15 15 THR CA C 13 62.197 0.067 . 1 . . . . 36 T CA . 17019 1 1250 . 2 2 15 15 THR CB C 13 69.788 0.101 . 1 . . . . 36 T CB . 17019 1 1251 . 2 2 15 15 THR CG2 C 13 21.766 0.084 . 1 . . . . 36 T CG2 . 17019 1 1252 . 2 2 15 15 THR N N 15 113.859 0.053 . 1 . . . . 36 T N . 17019 1 1253 . 2 2 16 16 ALA H H 1 7.899 0.011 . 1 . . . . 37 A HN . 17019 1 1254 . 2 2 16 16 ALA HA H 1 4.082 0.012 . 1 . . . . 37 A HA . 17019 1 1255 . 2 2 16 16 ALA HB1 H 1 1.194 0.008 . 1 . . . . 37 A QB . 17019 1 1256 . 2 2 16 16 ALA HB2 H 1 1.194 0.008 . 1 . . . . 37 A QB . 17019 1 1257 . 2 2 16 16 ALA HB3 H 1 1.194 0.008 . 1 . . . . 37 A QB . 17019 1 1258 . 2 2 16 16 ALA CA C 13 52.590 0.048 . 1 . . . . 37 A CA . 17019 1 1259 . 2 2 16 16 ALA CB C 13 19.404 0.111 . 1 . . . . 37 A CB . 17019 1 1260 . 2 2 16 16 ALA N N 15 125.392 0.045 . 1 . . . . 37 A N . 17019 1 1261 . 2 2 17 17 ARG H H 1 7.832 0.010 . 1 . . . . 38 R HN . 17019 1 1262 . 2 2 17 17 ARG HA H 1 4.156 0.014 . 1 . . . . 38 R HA . 17019 1 1263 . 2 2 17 17 ARG HB2 H 1 1.610 0.004 . 2 . . . . 38 R HB2 . 17019 1 1264 . 2 2 17 17 ARG HB3 H 1 1.439 0.009 . 2 . . . . 38 R HB3 . 17019 1 1265 . 2 2 17 17 ARG HD2 H 1 2.936 0.013 . 2 . . . . 38 R QD . 17019 1 1266 . 2 2 17 17 ARG HD3 H 1 2.936 0.013 . 2 . . . . 38 R QD . 17019 1 1267 . 2 2 17 17 ARG HG2 H 1 1.353 0.013 . 2 . . . . 38 R QG . 17019 1 1268 . 2 2 17 17 ARG HG3 H 1 1.353 0.013 . 2 . . . . 38 R QG . 17019 1 1269 . 2 2 17 17 ARG CA C 13 55.834 0.033 . 1 . . . . 38 R CA . 17019 1 1270 . 2 2 17 17 ARG CB C 13 30.967 0.058 . 1 . . . . 38 R CB . 17019 1 1271 . 2 2 17 17 ARG CD C 13 43.245 0.053 . 1 . . . . 38 R CD . 17019 1 1272 . 2 2 17 17 ARG CG C 13 27.033 0.063 . 1 . . . . 38 R CG . 17019 1 1273 . 2 2 17 17 ARG N N 15 119.538 0.058 . 1 . . . . 38 R N . 17019 1 1274 . 2 2 18 18 TRP H H 1 7.513 0.013 . 1 . . . . 39 W HN . 17019 1 1275 . 2 2 18 18 TRP HA H 1 4.443 0.005 . 1 . . . . 39 W HA . 17019 1 1276 . 2 2 18 18 TRP HB2 H 1 3.227 0.005 . 2 . . . . 39 W HB2 . 17019 1 1277 . 2 2 18 18 TRP HB3 H 1 3.042 0.002 . 2 . . . . 39 W HB3 . 17019 1 1278 . 2 2 18 18 TRP HD1 H 1 7.053 0.008 . 1 . . . . 39 W HD1 . 17019 1 1279 . 2 2 18 18 TRP HE1 H 1 9.937 0.006 . 1 . . . . 39 W HE1 . 17019 1 1280 . 2 2 18 18 TRP HE3 H 1 7.502 0.014 . 1 . . . . 39 W HE3 . 17019 1 1281 . 2 2 18 18 TRP HH2 H 1 7.036 0.004 . 1 . . . . 39 W HH2 . 17019 1 1282 . 2 2 18 18 TRP HZ2 H 1 7.292 0.007 . 1 . . . . 39 W HZ2 . 17019 1 1283 . 2 2 18 18 TRP HZ3 H 1 6.973 0.006 . 1 . . . . 39 W HZ3 . 17019 1 1284 . 2 2 18 18 TRP CA C 13 58.394 0.086 . 1 . . . . 39 W CA . 17019 1 1285 . 2 2 18 18 TRP CB C 13 30.232 0.081 . 1 . . . . 39 W CB . 17019 1 1286 . 2 2 18 18 TRP CD1 C 13 126.435 0.071 . 1 . . . . 39 W CD1 . 17019 1 1287 . 2 2 18 18 TRP CE3 C 13 121.082 0.122 . 1 . . . . 39 W CE3 . 17019 1 1288 . 2 2 18 18 TRP CH2 C 13 123.876 0.097 . 1 . . . . 39 W CH2 . 17019 1 1289 . 2 2 18 18 TRP CZ2 C 13 114.167 0.089 . 1 . . . . 39 W CZ2 . 17019 1 1290 . 2 2 18 18 TRP CZ3 C 13 121.269 0.056 . 1 . . . . 39 W CZ3 . 17019 1 1291 . 2 2 18 18 TRP N N 15 126.543 0.056 . 1 . . . . 39 W N . 17019 1 1292 . 2 2 18 18 TRP NE1 N 15 128.444 0.096 . 1 . . . . 39 W NE1 . 17019 1 stop_ save_