data_4046 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4046 _Entry.Title ; NMR Evidence for Similarities between the DNA-Binding Regions of Drosophila melanogaster Heat Shock Factor and the Helix-Turn-Helix and HNF-3/forkhead Families of Transcription Factors ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1997-07-20 _Entry.Accession_date 1997-07-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Geerten Vuister . W. . 4046 2 Soon-Jong Kim . . . 4046 3 Carl Wu . . . 4046 4 Ad Bax . . . 4046 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4046 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 4046 '15N chemical shifts' 122 4046 '1H chemical shifts' 454 4046 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 . . 1999-08-24 . reformat BMRB 'format updated to NMR-STAR version 2.1' 4046 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4046 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 94114471 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Vuister, G. W., Kim, S-J., Wu, C., and Bax, A., "NMR Evidence for Similarities between the DNA-Binding Regions of Drosophila melanogaster Heat Shock Factor and the Helix-Turn-Helix and HNF-3/forkhead Families of Transcription Factors," Biochemistry 33, 10-16 (1994). ; _Citation.Title ; NMR Evidence for Similarities between the DNA-Binding Regions of Drosophila melanogaster Heat Shock Factor and the Helix-Turn-Helix and HNF-3/forkhead Families of Transcription Factors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 33 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10 _Citation.Page_last 16 _Citation.Year 1994 _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 Geerten Vuister . W. . 4046 1 2 Soon-Jong Kim . . . 4046 1 3 Carl Wu . . . 4046 1 4 Ad Bax . . . 4046 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Heat shcok factor (HSF)' 4046 1 NMR 4046 1 'Transcription factor' 4046 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Drosophila_HSF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Drosophila_HSF _Assembly.Entry_ID 4046 _Assembly.ID 1 _Assembly.Name 'Drosophila Heat Shock Factor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Heat shock factor (HSF) is produced in response to heat or chemical stress ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4046 1 stop_ 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 dHSF 1 $dHSF . . . native . . . . . 4046 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1HKS . . . . . . 4046 1 . PDB 1HKT . . . . . . 4046 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID dHSF abbreviation 4046 1 'Drosophila Heat Shock Factor' system 4046 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; mediate protein-protein interactions and the translocation of proteins across cellular membranes ; 4046 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dHSF _Entity.Sf_category entity _Entity.Sf_framecode dHSF _Entity.Entry_ID 4046 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Drosophila Heat Shock Factor' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AAEHSYGDAAAIGSGVPAFL AKLWRIVDDADTNRLICWTK DGQSFVIQNQAQFAKELLPL NYKHNNMASFIRQLNMYGFH KITSIDNGGLRFDRDEIEFS HPFFKRNSPFLLDQIKRKIS NNKNGDDKGVLKPAAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15259 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1HKS . "Solution Structure Of The Dna-Binding Domain Of Drosophila Heat Shock Transcription Factor" . . . . . 77.21 106 99.05 100.00 9.55e-71 . . . . 4046 1 2 no PDB 1HKT . "Solution Structure Of The Dna-Binding Domain Of Drosophila Heat Shock Transcription Factor" . . . . . 77.21 106 99.05 100.00 9.55e-71 . . . . 4046 1 3 no DBJ BAE16321 . "heat shock transcription factor b [Drosophila melanogaster]" . . . . . 97.06 715 98.48 99.24 3.32e-88 . . . . 4046 1 4 no DBJ BAE16322 . "heat shock transcription factor c [Drosophila melanogaster]" . . . . . 97.06 709 98.48 99.24 3.01e-88 . . . . 4046 1 5 no DBJ BAE16323 . "heat shock transcription factor d [Drosophila melanogaster]" . . . . . 97.06 733 98.48 99.24 4.29e-88 . . . . 4046 1 6 no GB AAA28642 . "heat shock transcription factor [Drosophila melanogaster]" . . . . . 97.06 691 98.48 99.24 1.82e-88 . . . . 4046 1 7 no GB AAF57749 . "heat shock factor, isoform A [Drosophila melanogaster]" . . . . . 97.06 691 98.48 99.24 1.82e-88 . . . . 4046 1 8 no GB AAL13990 . "SD02833p [Drosophila melanogaster]" . . . . . 97.06 662 98.48 99.24 1.01e-88 . . . . 4046 1 9 no GB ABI31102 . "heat shock factor, isoform D [Drosophila melanogaster]" . . . . . 97.06 733 98.48 99.24 4.29e-88 . . . . 4046 1 10 no GB ABI31103 . "heat shock factor, isoform C [Drosophila melanogaster]" . . . . . 97.06 709 98.48 99.24 3.01e-88 . . . . 4046 1 11 no REF NP_001036555 . "heat shock factor, isoform D [Drosophila melanogaster]" . . . . . 97.06 733 98.48 99.24 4.29e-88 . . . . 4046 1 12 no REF NP_001036556 . "heat shock factor, isoform C [Drosophila melanogaster]" . . . . . 97.06 709 98.48 99.24 3.01e-88 . . . . 4046 1 13 no REF NP_001036557 . "heat shock factor, isoform B [Drosophila melanogaster]" . . . . . 97.06 715 98.48 99.24 3.32e-88 . . . . 4046 1 14 no REF NP_476575 . "heat shock factor, isoform A [Drosophila melanogaster]" . . . . . 97.06 691 98.48 99.24 1.82e-88 . . . . 4046 1 15 no REF XP_002034392 . "GM19926 [Drosophila sechellia]" . . . . . 97.06 709 96.97 97.73 9.25e-87 . . . . 4046 1 16 no SP P22813 . "RecName: Full=Heat shock factor protein; Short=HSF; AltName: Full=Heat shock transcription factor; Short=HSTF" . . . . . 97.06 691 98.48 99.24 1.82e-88 . . . . 4046 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID dHSF abbreviation 4046 1 'Drosophila Heat Shock Factor' common 4046 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 . ALA . 4046 1 2 . ALA . 4046 1 3 . GLU . 4046 1 4 34 HIS . 4046 1 5 35 SER . 4046 1 6 36 TYR . 4046 1 7 37 GLY . 4046 1 8 38 ASP . 4046 1 9 39 ALA . 4046 1 10 40 ALA . 4046 1 11 41 ALA . 4046 1 12 42 ILE . 4046 1 13 43 GLY . 4046 1 14 44 SER . 4046 1 15 45 GLY . 4046 1 16 46 VAL . 4046 1 17 47 PRO . 4046 1 18 48 ALA . 4046 1 19 49 PHE . 4046 1 20 50 LEU . 4046 1 21 51 ALA . 4046 1 22 52 LYS . 4046 1 23 53 LEU . 4046 1 24 54 TRP . 4046 1 25 55 ARG . 4046 1 26 56 ILE . 4046 1 27 57 VAL . 4046 1 28 58 ASP . 4046 1 29 59 ASP . 4046 1 30 60 ALA . 4046 1 31 61 ASP . 4046 1 32 62 THR . 4046 1 33 63 ASN . 4046 1 34 64 ARG . 4046 1 35 65 LEU . 4046 1 36 66 ILE . 4046 1 37 67 CYS . 4046 1 38 68 TRP . 4046 1 39 69 THR . 4046 1 40 70 LYS . 4046 1 41 71 ASP . 4046 1 42 72 GLY . 4046 1 43 73 GLN . 4046 1 44 74 SER . 4046 1 45 75 PHE . 4046 1 46 76 VAL . 4046 1 47 77 ILE . 4046 1 48 78 GLN . 4046 1 49 79 ASN . 4046 1 50 80 GLN . 4046 1 51 81 ALA . 4046 1 52 82 GLN . 4046 1 53 83 PHE . 4046 1 54 84 ALA . 4046 1 55 85 LYS . 4046 1 56 86 GLU . 4046 1 57 87 LEU . 4046 1 58 88 LEU . 4046 1 59 89 PRO . 4046 1 60 90 LEU . 4046 1 61 91 ASN . 4046 1 62 92 TYR . 4046 1 63 93 LYS . 4046 1 64 94 HIS . 4046 1 65 95 ASN . 4046 1 66 96 ASN . 4046 1 67 97 MET . 4046 1 68 98 ALA . 4046 1 69 99 SER . 4046 1 70 100 PHE . 4046 1 71 101 ILE . 4046 1 72 102 ARG . 4046 1 73 103 GLN . 4046 1 74 104 LEU . 4046 1 75 105 ASN . 4046 1 76 106 MET . 4046 1 77 107 TYR . 4046 1 78 108 GLY . 4046 1 79 109 PHE . 4046 1 80 110 HIS . 4046 1 81 111 LYS . 4046 1 82 112 ILE . 4046 1 83 113 THR . 4046 1 84 114 SER . 4046 1 85 115 ILE . 4046 1 86 116 ASP . 4046 1 87 117 ASN . 4046 1 88 118 GLY . 4046 1 89 119 GLY . 4046 1 90 120 LEU . 4046 1 91 121 ARG . 4046 1 92 122 PHE . 4046 1 93 123 ASP . 4046 1 94 124 ARG . 4046 1 95 125 ASP . 4046 1 96 126 GLU . 4046 1 97 127 ILE . 4046 1 98 128 GLU . 4046 1 99 129 PHE . 4046 1 100 130 SER . 4046 1 101 131 HIS . 4046 1 102 132 PRO . 4046 1 103 133 PHE . 4046 1 104 134 PHE . 4046 1 105 135 LYS . 4046 1 106 136 ARG . 4046 1 107 137 ASN . 4046 1 108 138 SER . 4046 1 109 139 PRO . 4046 1 110 140 PHE . 4046 1 111 141 LEU . 4046 1 112 142 LEU . 4046 1 113 143 ASP . 4046 1 114 144 GLN . 4046 1 115 145 ILE . 4046 1 116 145 LYS . 4046 1 117 147 ARG . 4046 1 118 148 LYS . 4046 1 119 149 ILE . 4046 1 120 150 SER . 4046 1 121 151 ASN . 4046 1 122 152 ASN . 4046 1 123 153 LYS . 4046 1 124 154 ASN . 4046 1 125 155 GLY . 4046 1 126 156 ASP . 4046 1 127 157 ASP . 4046 1 128 158 LYS . 4046 1 129 159 GLY . 4046 1 130 160 VAL . 4046 1 131 161 LEU . 4046 1 132 162 LYS . 4046 1 133 163 PRO . 4046 1 134 164 ALA . 4046 1 135 165 ALA . 4046 1 136 166 GLU . 4046 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 . ALA 1 1 4046 1 . ALA 2 2 4046 1 . GLU 3 3 4046 1 . HIS 4 4 4046 1 . SER 5 5 4046 1 . TYR 6 6 4046 1 . GLY 7 7 4046 1 . ASP 8 8 4046 1 . ALA 9 9 4046 1 . ALA 10 10 4046 1 . ALA 11 11 4046 1 . ILE 12 12 4046 1 . GLY 13 13 4046 1 . SER 14 14 4046 1 . GLY 15 15 4046 1 . VAL 16 16 4046 1 . PRO 17 17 4046 1 . ALA 18 18 4046 1 . PHE 19 19 4046 1 . LEU 20 20 4046 1 . ALA 21 21 4046 1 . LYS 22 22 4046 1 . LEU 23 23 4046 1 . TRP 24 24 4046 1 . ARG 25 25 4046 1 . ILE 26 26 4046 1 . VAL 27 27 4046 1 . ASP 28 28 4046 1 . ASP 29 29 4046 1 . ALA 30 30 4046 1 . ASP 31 31 4046 1 . THR 32 32 4046 1 . ASN 33 33 4046 1 . ARG 34 34 4046 1 . LEU 35 35 4046 1 . ILE 36 36 4046 1 . CYS 37 37 4046 1 . TRP 38 38 4046 1 . THR 39 39 4046 1 . LYS 40 40 4046 1 . ASP 41 41 4046 1 . GLY 42 42 4046 1 . GLN 43 43 4046 1 . SER 44 44 4046 1 . PHE 45 45 4046 1 . VAL 46 46 4046 1 . ILE 47 47 4046 1 . GLN 48 48 4046 1 . ASN 49 49 4046 1 . GLN 50 50 4046 1 . ALA 51 51 4046 1 . GLN 52 52 4046 1 . PHE 53 53 4046 1 . ALA 54 54 4046 1 . LYS 55 55 4046 1 . GLU 56 56 4046 1 . LEU 57 57 4046 1 . LEU 58 58 4046 1 . PRO 59 59 4046 1 . LEU 60 60 4046 1 . ASN 61 61 4046 1 . TYR 62 62 4046 1 . LYS 63 63 4046 1 . HIS 64 64 4046 1 . ASN 65 65 4046 1 . ASN 66 66 4046 1 . MET 67 67 4046 1 . ALA 68 68 4046 1 . SER 69 69 4046 1 . PHE 70 70 4046 1 . ILE 71 71 4046 1 . ARG 72 72 4046 1 . GLN 73 73 4046 1 . LEU 74 74 4046 1 . ASN 75 75 4046 1 . MET 76 76 4046 1 . TYR 77 77 4046 1 . GLY 78 78 4046 1 . PHE 79 79 4046 1 . HIS 80 80 4046 1 . LYS 81 81 4046 1 . ILE 82 82 4046 1 . THR 83 83 4046 1 . SER 84 84 4046 1 . ILE 85 85 4046 1 . ASP 86 86 4046 1 . ASN 87 87 4046 1 . GLY 88 88 4046 1 . GLY 89 89 4046 1 . LEU 90 90 4046 1 . ARG 91 91 4046 1 . PHE 92 92 4046 1 . ASP 93 93 4046 1 . ARG 94 94 4046 1 . ASP 95 95 4046 1 . GLU 96 96 4046 1 . ILE 97 97 4046 1 . GLU 98 98 4046 1 . PHE 99 99 4046 1 . SER 100 100 4046 1 . HIS 101 101 4046 1 . PRO 102 102 4046 1 . PHE 103 103 4046 1 . PHE 104 104 4046 1 . LYS 105 105 4046 1 . ARG 106 106 4046 1 . ASN 107 107 4046 1 . SER 108 108 4046 1 . PRO 109 109 4046 1 . PHE 110 110 4046 1 . LEU 111 111 4046 1 . LEU 112 112 4046 1 . ASP 113 113 4046 1 . GLN 114 114 4046 1 . ILE 115 115 4046 1 . LYS 116 116 4046 1 . ARG 117 117 4046 1 . LYS 118 118 4046 1 . ILE 119 119 4046 1 . SER 120 120 4046 1 . ASN 121 121 4046 1 . ASN 122 122 4046 1 . LYS 123 123 4046 1 . ASN 124 124 4046 1 . GLY 125 125 4046 1 . ASP 126 126 4046 1 . ASP 127 127 4046 1 . LYS 128 128 4046 1 . GLY 129 129 4046 1 . VAL 130 130 4046 1 . LEU 131 131 4046 1 . LYS 132 132 4046 1 . PRO 133 133 4046 1 . ALA 134 134 4046 1 . ALA 135 135 4046 1 . GLU 136 136 4046 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4046 _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 $dHSF . 7227 . . 'Drosophila melanogaster' 'Fruit Fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 4046 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 4046 _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 $dHSF . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli (BL21/DE3) . . . . . . . . . . . . plasmid . . pHSF33-163 . . . ; The recombinant protein includes three additional C-terminal amino acids, ALA-ALA-GLU ; . . 4046 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4046 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Drosophila Heat Shock Factor' [U-15N] . . 1 $dHSF . . . 0.7 1.1 mM . . . . 4046 1 2 D2O . . . . . . . 5 . . % . . . . 4046 1 3 'potassium phosphate' . . . . . . . 10 . . mM . . . . 4046 1 4 KCl . . . . . . . 50 . . mM . . . . 4046 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4046 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Drosophila Heat Shock Factor' '[U-13C; U-15N]' . . 1 $dHSF . . . 0.7 1.1 mM . . . . 4046 2 2 D2O . . . . . . . 5 . . % . . . . 4046 2 3 'potassium phosphate' . . . . . . . 10 . . mM . . . . 4046 2 4 KCl . . . . . . . 50 . . mM . . . . 4046 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4046 _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 pH 6.3 . na 4046 1 temperature 300 . K 4046 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4046 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4046 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4046 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 4046 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_one _Chem_shift_reference.Entry_ID 4046 _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 TSP 'methyl carbons' . . . . ppm 0 . . . . . . . . . . . . 4046 1 H 1 TSP 'methyl protons' . . . . ppm 0 . . . . . . . . . . . . 4046 1 N 15 TSP . . . . . ppm 0 . . . . . . . . . . . . 4046 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4046 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_one _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 $sample_one . 4046 1 . . 2 $sample_two . 4046 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 4 4 HIS HA H 1 4.67 . . 1 . . . . . . . . 4046 1 2 . 1 1 4 4 HIS HB2 H 1 3.06 . . 1 . . . . . . . . 4046 1 3 . 1 1 4 4 HIS HB3 H 1 3.06 . . 1 . . . . . . . . 4046 1 4 . 1 1 4 4 HIS CA C 13 56.14 . . 1 . . . . . . . . 4046 1 5 . 1 1 4 4 HIS CB C 13 30.49 . . 1 . . . . . . . . 4046 1 6 . 1 1 5 5 SER H H 1 8.38 . . 1 . . . . . . . . 4046 1 7 . 1 1 5 5 SER HA H 1 4.44 . . 1 . . . . . . . . 4046 1 8 . 1 1 5 5 SER HB2 H 1 3.77 . . 1 . . . . . . . . 4046 1 9 . 1 1 5 5 SER HB3 H 1 3.77 . . 1 . . . . . . . . 4046 1 10 . 1 1 5 5 SER C C 13 174.10 . . 1 . . . . . . . . 4046 1 11 . 1 1 5 5 SER CA C 13 58.03 . . 1 . . . . . . . . 4046 1 12 . 1 1 5 5 SER CB C 13 63.96 . . 1 . . . . . . . . 4046 1 13 . 1 1 5 5 SER N N 15 117.48 . . 1 . . . . . . . . 4046 1 14 . 1 1 6 6 TYR H H 1 8.37 . . 1 . . . . . . . . 4046 1 15 . 1 1 6 6 TYR HA H 1 4.58 . . 1 . . . . . . . . 4046 1 16 . 1 1 6 6 TYR HB2 H 1 3.10 . . 2 . . . . . . . . 4046 1 17 . 1 1 6 6 TYR HB3 H 1 2.95 . . 2 . . . . . . . . 4046 1 18 . 1 1 6 6 TYR C C 13 176.41 . . 1 . . . . . . . . 4046 1 19 . 1 1 6 6 TYR CA C 13 58.25 . . 1 . . . . . . . . 4046 1 20 . 1 1 6 6 TYR CB C 13 38.78 . . 1 . . . . . . . . 4046 1 21 . 1 1 6 6 TYR N N 15 121.90 . . 1 . . . . . . . . 4046 1 22 . 1 1 7 7 GLY H H 1 8.35 . . 1 . . . . . . . . 4046 1 23 . 1 1 7 7 GLY HA2 H 1 3.91 . . 1 . . . . . . . . 4046 1 24 . 1 1 7 7 GLY HA3 H 1 3.91 . . 1 . . . . . . . . 4046 1 25 . 1 1 7 7 GLY C C 13 173.96 . . 1 . . . . . . . . 4046 1 26 . 1 1 7 7 GLY CA C 13 45.49 . . 1 . . . . . . . . 4046 1 27 . 1 1 7 7 GLY N N 15 109.98 . . 1 . . . . . . . . 4046 1 28 . 1 1 8 8 ASP H H 1 8.16 . . 1 . . . . . . . . 4046 1 29 . 1 1 8 8 ASP HA H 1 4.59 . . 1 . . . . . . . . 4046 1 30 . 1 1 8 8 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 4046 1 31 . 1 1 8 8 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 4046 1 32 . 1 1 8 8 ASP C C 13 176.48 . . 1 . . . . . . . . 4046 1 33 . 1 1 8 8 ASP CA C 13 54.41 . . 1 . . . . . . . . 4046 1 34 . 1 1 8 8 ASP CB C 13 41.40 . . 1 . . . . . . . . 4046 1 35 . 1 1 8 8 ASP N N 15 120.52 . . 1 . . . . . . . . 4046 1 36 . 1 1 9 9 ALA H H 1 8.29 . . 1 . . . . . . . . 4046 1 37 . 1 1 9 9 ALA HA H 1 4.23 . . 1 . . . . . . . . 4046 1 38 . 1 1 9 9 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 4046 1 39 . 1 1 9 9 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 4046 1 40 . 1 1 9 9 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 4046 1 41 . 1 1 9 9 ALA C C 13 177.77 . . 1 . . . . . . . . 4046 1 42 . 1 1 9 9 ALA CA C 13 53.12 . . 1 . . . . . . . . 4046 1 43 . 1 1 9 9 ALA CB C 13 19.09 . . 1 . . . . . . . . 4046 1 44 . 1 1 9 9 ALA N N 15 123.96 . . 1 . . . . . . . . 4046 1 45 . 1 1 10 10 ALA H H 1 8.19 . . 1 . . . . . . . . 4046 1 46 . 1 1 10 10 ALA HA H 1 4.26 . . 1 . . . . . . . . 4046 1 47 . 1 1 10 10 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4046 1 48 . 1 1 10 10 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4046 1 49 . 1 1 10 10 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4046 1 50 . 1 1 10 10 ALA C C 13 177.36 . . 1 . . . . . . . . 4046 1 51 . 1 1 10 10 ALA CA C 13 52.52 . . 1 . . . . . . . . 4046 1 52 . 1 1 10 10 ALA CB C 13 19.19 . . 1 . . . . . . . . 4046 1 53 . 1 1 10 10 ALA N N 15 121.57 . . 1 . . . . . . . . 4046 1 54 . 1 1 11 11 ALA H H 1 7.93 . . 1 . . . . . . . . 4046 1 55 . 1 1 11 11 ALA HA H 1 4.25 . . 1 . . . . . . . . 4046 1 56 . 1 1 11 11 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4046 1 57 . 1 1 11 11 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4046 1 58 . 1 1 11 11 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4046 1 59 . 1 1 11 11 ALA C C 13 177.16 . . 1 . . . . . . . . 4046 1 60 . 1 1 11 11 ALA CA C 13 52.45 . . 1 . . . . . . . . 4046 1 61 . 1 1 11 11 ALA CB C 13 19.26 . . 1 . . . . . . . . 4046 1 62 . 1 1 11 11 ALA N N 15 122.38 . . 1 . . . . . . . . 4046 1 63 . 1 1 12 12 ILE H H 1 7.78 . . 1 . . . . . . . . 4046 1 64 . 1 1 12 12 ILE HA H 1 3.89 . . 1 . . . . . . . . 4046 1 65 . 1 1 12 12 ILE HB H 1 1.70 . . 1 . . . . . . . . 4046 1 66 . 1 1 12 12 ILE C C 13 176.75 . . 1 . . . . . . . . 4046 1 67 . 1 1 12 12 ILE CA C 13 61.22 . . 1 . . . . . . . . 4046 1 68 . 1 1 12 12 ILE CB C 13 38.51 . . 1 . . . . . . . . 4046 1 69 . 1 1 12 12 ILE N N 15 119.37 . . 1 . . . . . . . . 4046 1 70 . 1 1 13 13 GLY H H 1 8.61 . . 1 . . . . . . . . 4046 1 71 . 1 1 13 13 GLY HA2 H 1 3.99 . . 1 . . . . . . . . 4046 1 72 . 1 1 13 13 GLY HA3 H 1 3.99 . . 1 . . . . . . . . 4046 1 73 . 1 1 13 13 GLY C C 13 174.89 . . 1 . . . . . . . . 4046 1 74 . 1 1 13 13 GLY CA C 13 45.61 . . 1 . . . . . . . . 4046 1 75 . 1 1 13 13 GLY N N 15 113.74 . . 1 . . . . . . . . 4046 1 76 . 1 1 14 14 SER H H 1 8.48 . . 1 . . . . . . . . 4046 1 77 . 1 1 14 14 SER HA H 1 4.31 . . 1 . . . . . . . . 4046 1 78 . 1 1 14 14 SER HB2 H 1 3.94 . . 1 . . . . . . . . 4046 1 79 . 1 1 14 14 SER HB3 H 1 3.94 . . 1 . . . . . . . . 4046 1 80 . 1 1 14 14 SER C C 13 175.50 . . 1 . . . . . . . . 4046 1 81 . 1 1 14 14 SER CA C 13 59.82 . . 1 . . . . . . . . 4046 1 82 . 1 1 14 14 SER CB C 13 63.54 . . 1 . . . . . . . . 4046 1 83 . 1 1 14 14 SER N N 15 116.26 . . 1 . . . . . . . . 4046 1 84 . 1 1 15 15 GLY H H 1 8.72 . . 1 . . . . . . . . 4046 1 85 . 1 1 15 15 GLY HA2 H 1 4.10 . . 2 . . . . . . . . 4046 1 86 . 1 1 15 15 GLY HA3 H 1 3.85 . . 2 . . . . . . . . 4046 1 87 . 1 1 15 15 GLY C C 13 174.31 . . 1 . . . . . . . . 4046 1 88 . 1 1 15 15 GLY CA C 13 45.09 . . 1 . . . . . . . . 4046 1 89 . 1 1 15 15 GLY N N 15 110.05 . . 1 . . . . . . . . 4046 1 90 . 1 1 16 16 VAL H H 1 7.43 . . 1 . . . . . . . . 4046 1 91 . 1 1 16 16 VAL HA H 1 4.19 . . 1 . . . . . . . . 4046 1 92 . 1 1 16 16 VAL HB H 1 1.97 . . 1 . . . . . . . . 4046 1 93 . 1 1 16 16 VAL CA C 13 60.60 . . 1 . . . . . . . . 4046 1 94 . 1 1 16 16 VAL CB C 13 32.98 . . 1 . . . . . . . . 4046 1 95 . 1 1 16 16 VAL N N 15 122.43 . . 1 . . . . . . . . 4046 1 96 . 1 1 17 17 PRO HA H 1 4.47 . . 1 . . . . . . . . 4046 1 97 . 1 1 17 17 PRO C C 13 177.53 . . 1 . . . . . . . . 4046 1 98 . 1 1 17 17 PRO CA C 13 63.36 . . 1 . . . . . . . . 4046 1 99 . 1 1 17 17 PRO CB C 13 32.94 . . 1 . . . . . . . . 4046 1 100 . 1 1 18 18 ALA H H 1 8.96 . . 1 . . . . . . . . 4046 1 101 . 1 1 18 18 ALA HA H 1 4.17 . . 1 . . . . . . . . 4046 1 102 . 1 1 18 18 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 4046 1 103 . 1 1 18 18 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 4046 1 104 . 1 1 18 18 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 4046 1 105 . 1 1 18 18 ALA C C 13 179.37 . . 1 . . . . . . . . 4046 1 106 . 1 1 18 18 ALA CA C 13 55.77 . . 1 . . . . . . . . 4046 1 107 . 1 1 18 18 ALA CB C 13 18.51 . . 1 . . . . . . . . 4046 1 108 . 1 1 18 18 ALA N N 15 128.10 . . 1 . . . . . . . . 4046 1 109 . 1 1 19 19 PHE H H 1 9.15 . . 1 . . . . . . . . 4046 1 110 . 1 1 19 19 PHE HA H 1 4.34 . . 1 . . . . . . . . 4046 1 111 . 1 1 19 19 PHE HB2 H 1 3.63 . . 1 . . . . . . . . 4046 1 112 . 1 1 19 19 PHE HB3 H 1 3.63 . . 1 . . . . . . . . 4046 1 113 . 1 1 19 19 PHE C C 13 178.10 . . 1 . . . . . . . . 4046 1 114 . 1 1 19 19 PHE CA C 13 62.59 . . 1 . . . . . . . . 4046 1 115 . 1 1 19 19 PHE CB C 13 40.83 . . 1 . . . . . . . . 4046 1 116 . 1 1 19 19 PHE N N 15 115.40 . . 1 . . . . . . . . 4046 1 117 . 1 1 20 20 LEU H H 1 6.96 . . 1 . . . . . . . . 4046 1 118 . 1 1 20 20 LEU HA H 1 3.91 . . 1 . . . . . . . . 4046 1 119 . 1 1 20 20 LEU HB2 H 1 1.88 . . 2 . . . . . . . . 4046 1 120 . 1 1 20 20 LEU HB3 H 1 1.35 . . 2 . . . . . . . . 4046 1 121 . 1 1 20 20 LEU C C 13 177.72 . . 1 . . . . . . . . 4046 1 122 . 1 1 20 20 LEU CA C 13 56.08 . . 1 . . . . . . . . 4046 1 123 . 1 1 20 20 LEU CB C 13 43.36 . . 1 . . . . . . . . 4046 1 124 . 1 1 20 20 LEU N N 15 115.18 . . 1 . . . . . . . . 4046 1 125 . 1 1 21 21 ALA H H 1 8.08 . . 1 . . . . . . . . 4046 1 126 . 1 1 21 21 ALA HA H 1 4.02 . . 1 . . . . . . . . 4046 1 127 . 1 1 21 21 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4046 1 128 . 1 1 21 21 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4046 1 129 . 1 1 21 21 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4046 1 130 . 1 1 21 21 ALA C C 13 180.35 . . 1 . . . . . . . . 4046 1 131 . 1 1 21 21 ALA CA C 13 55.60 . . 1 . . . . . . . . 4046 1 132 . 1 1 21 21 ALA CB C 13 18.45 . . 1 . . . . . . . . 4046 1 133 . 1 1 21 21 ALA N N 15 123.46 . . 1 . . . . . . . . 4046 1 134 . 1 1 22 22 LYS H H 1 8.36 . . 1 . . . . . . . . 4046 1 135 . 1 1 22 22 LYS HA H 1 3.89 . . 1 . . . . . . . . 4046 1 136 . 1 1 22 22 LYS C C 13 178.96 . . 1 . . . . . . . . 4046 1 137 . 1 1 22 22 LYS CA C 13 59.14 . . 1 . . . . . . . . 4046 1 138 . 1 1 22 22 LYS CB C 13 32.86 . . 1 . . . . . . . . 4046 1 139 . 1 1 22 22 LYS N N 15 115.50 . . 1 . . . . . . . . 4046 1 140 . 1 1 23 23 LEU H H 1 7.39 . . 1 . . . . . . . . 4046 1 141 . 1 1 23 23 LEU HA H 1 3.81 . . 1 . . . . . . . . 4046 1 142 . 1 1 23 23 LEU C C 13 177.66 . . 1 . . . . . . . . 4046 1 143 . 1 1 23 23 LEU CA C 13 57.90 . . 1 . . . . . . . . 4046 1 144 . 1 1 23 23 LEU CB C 13 41.56 . . 1 . . . . . . . . 4046 1 145 . 1 1 23 23 LEU N N 15 121.31 . . 1 . . . . . . . . 4046 1 146 . 1 1 24 24 TRP H H 1 8.67 . . 1 . . . . . . . . 4046 1 147 . 1 1 24 24 TRP C C 13 177.30 . . 1 . . . . . . . . 4046 1 148 . 1 1 24 24 TRP CA C 13 62.41 . . 1 . . . . . . . . 4046 1 149 . 1 1 24 24 TRP N N 15 118.61 . . 1 . . . . . . . . 4046 1 150 . 1 1 25 25 ARG H H 1 7.53 . . 1 . . . . . . . . 4046 1 151 . 1 1 25 25 ARG HA H 1 3.86 . . 1 . . . . . . . . 4046 1 152 . 1 1 25 25 ARG HB2 H 1 1.91 . . 1 . . . . . . . . 4046 1 153 . 1 1 25 25 ARG HB3 H 1 1.91 . . 1 . . . . . . . . 4046 1 154 . 1 1 25 25 ARG C C 13 178.20 . . 1 . . . . . . . . 4046 1 155 . 1 1 25 25 ARG CA C 13 59.61 . . 1 . . . . . . . . 4046 1 156 . 1 1 25 25 ARG CB C 13 29.92 . . 1 . . . . . . . . 4046 1 157 . 1 1 25 25 ARG N N 15 114.62 . . 1 . . . . . . . . 4046 1 158 . 1 1 26 26 ILE H H 1 7.98 . . 1 . . . . . . . . 4046 1 159 . 1 1 26 26 ILE HA H 1 4.05 . . 1 . . . . . . . . 4046 1 160 . 1 1 26 26 ILE C C 13 178.65 . . 1 . . . . . . . . 4046 1 161 . 1 1 26 26 ILE CA C 13 57.61 . . 1 . . . . . . . . 4046 1 162 . 1 1 26 26 ILE CB C 13 43.00 . . 1 . . . . . . . . 4046 1 163 . 1 1 26 26 ILE N N 15 119.55 . . 1 . . . . . . . . 4046 1 164 . 1 1 27 27 VAL H H 1 8.09 . . 1 . . . . . . . . 4046 1 165 . 1 1 27 27 VAL HA H 1 2.54 . . 1 . . . . . . . . 4046 1 166 . 1 1 27 27 VAL CA C 13 67.03 . . 1 . . . . . . . . 4046 1 167 . 1 1 27 27 VAL N N 15 117.83 . . 1 . . . . . . . . 4046 1 168 . 1 1 28 28 ASP HA H 1 4.23 . . 1 . . . . . . . . 4046 1 169 . 1 1 28 28 ASP C C 13 176.68 . . 1 . . . . . . . . 4046 1 170 . 1 1 28 28 ASP CA C 13 57.17 . . 1 . . . . . . . . 4046 1 171 . 1 1 28 28 ASP CB C 13 43.51 . . 1 . . . . . . . . 4046 1 172 . 1 1 29 29 ASP H H 1 7.44 . . 1 . . . . . . . . 4046 1 173 . 1 1 29 29 ASP HA H 1 4.34 . . 1 . . . . . . . . 4046 1 174 . 1 1 29 29 ASP HB2 H 1 2.87 . . 1 . . . . . . . . 4046 1 175 . 1 1 29 29 ASP HB3 H 1 2.87 . . 1 . . . . . . . . 4046 1 176 . 1 1 29 29 ASP C C 13 177.77 . . 1 . . . . . . . . 4046 1 177 . 1 1 29 29 ASP CA C 13 55.00 . . 1 . . . . . . . . 4046 1 178 . 1 1 29 29 ASP CB C 13 41.18 . . 1 . . . . . . . . 4046 1 179 . 1 1 29 29 ASP N N 15 115.85 . . 1 . . . . . . . . 4046 1 180 . 1 1 30 30 ALA H H 1 8.87 . . 1 . . . . . . . . 4046 1 181 . 1 1 30 30 ALA HA H 1 4.18 . . 1 . . . . . . . . 4046 1 182 . 1 1 30 30 ALA HB1 H 1 1.50 . . 1 . . . . . . . . 4046 1 183 . 1 1 30 30 ALA HB2 H 1 1.50 . . 1 . . . . . . . . 4046 1 184 . 1 1 30 30 ALA HB3 H 1 1.50 . . 1 . . . . . . . . 4046 1 185 . 1 1 30 30 ALA C C 13 180.92 . . 1 . . . . . . . . 4046 1 186 . 1 1 30 30 ALA CA C 13 54.36 . . 1 . . . . . . . . 4046 1 187 . 1 1 30 30 ALA CB C 13 18.60 . . 1 . . . . . . . . 4046 1 188 . 1 1 30 30 ALA N N 15 129.34 . . 1 . . . . . . . . 4046 1 189 . 1 1 31 31 ASP H H 1 8.59 . . 1 . . . . . . . . 4046 1 190 . 1 1 31 31 ASP HA H 1 4.50 . . 1 . . . . . . . . 4046 1 191 . 1 1 31 31 ASP HB2 H 1 2.82 . . 2 . . . . . . . . 4046 1 192 . 1 1 31 31 ASP HB3 H 1 2.70 . . 2 . . . . . . . . 4046 1 193 . 1 1 31 31 ASP C C 13 178.30 . . 1 . . . . . . . . 4046 1 194 . 1 1 31 31 ASP CA C 13 56.77 . . 1 . . . . . . . . 4046 1 195 . 1 1 31 31 ASP CB C 13 40.64 . . 1 . . . . . . . . 4046 1 196 . 1 1 31 31 ASP N N 15 115.42 . . 1 . . . . . . . . 4046 1 197 . 1 1 32 32 THR H H 1 7.43 . . 1 . . . . . . . . 4046 1 198 . 1 1 32 32 THR HA H 1 4.69 . . 1 . . . . . . . . 4046 1 199 . 1 1 32 32 THR C C 13 175.92 . . 1 . . . . . . . . 4046 1 200 . 1 1 32 32 THR CA C 13 60.75 . . 1 . . . . . . . . 4046 1 201 . 1 1 32 32 THR CB C 13 69.19 . . 1 . . . . . . . . 4046 1 202 . 1 1 32 32 THR N N 15 105.25 . . 1 . . . . . . . . 4046 1 203 . 1 1 33 33 ASN H H 1 7.57 . . 1 . . . . . . . . 4046 1 204 . 1 1 33 33 ASN HA H 1 4.87 . . 1 . . . . . . . . 4046 1 205 . 1 1 33 33 ASN HB2 H 1 2.93 . . 1 . . . . . . . . 4046 1 206 . 1 1 33 33 ASN HB3 H 1 2.93 . . 1 . . . . . . . . 4046 1 207 . 1 1 33 33 ASN C C 13 175.63 . . 1 . . . . . . . . 4046 1 208 . 1 1 33 33 ASN CA C 13 55.12 . . 1 . . . . . . . . 4046 1 209 . 1 1 33 33 ASN CB C 13 38.01 . . 1 . . . . . . . . 4046 1 210 . 1 1 33 33 ASN N N 15 122.05 . . 1 . . . . . . . . 4046 1 211 . 1 1 34 34 ARG H H 1 8.52 . . 1 . . . . . . . . 4046 1 212 . 1 1 34 34 ARG HA H 1 4.11 . . 1 . . . . . . . . 4046 1 213 . 1 1 34 34 ARG HB2 H 1 1.82 . . 1 . . . . . . . . 4046 1 214 . 1 1 34 34 ARG HB3 H 1 1.82 . . 1 . . . . . . . . 4046 1 215 . 1 1 34 34 ARG C C 13 175.96 . . 1 . . . . . . . . 4046 1 216 . 1 1 34 34 ARG CA C 13 58.36 . . 1 . . . . . . . . 4046 1 217 . 1 1 34 34 ARG CB C 13 29.62 . . 1 . . . . . . . . 4046 1 218 . 1 1 34 34 ARG N N 15 116.53 . . 1 . . . . . . . . 4046 1 219 . 1 1 35 35 LEU H H 1 7.85 . . 1 . . . . . . . . 4046 1 220 . 1 1 35 35 LEU HA H 1 4.79 . . 1 . . . . . . . . 4046 1 221 . 1 1 35 35 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 4046 1 222 . 1 1 35 35 LEU HB3 H 1 1.55 . . 2 . . . . . . . . 4046 1 223 . 1 1 35 35 LEU C C 13 175.85 . . 1 . . . . . . . . 4046 1 224 . 1 1 35 35 LEU CA C 13 55.72 . . 1 . . . . . . . . 4046 1 225 . 1 1 35 35 LEU CB C 13 46.34 . . 1 . . . . . . . . 4046 1 226 . 1 1 35 35 LEU N N 15 116.00 . . 1 . . . . . . . . 4046 1 227 . 1 1 36 36 ILE H H 1 8.29 . . 1 . . . . . . . . 4046 1 228 . 1 1 36 36 ILE HA H 1 5.61 . . 1 . . . . . . . . 4046 1 229 . 1 1 36 36 ILE HB H 1 1.79 . . 1 . . . . . . . . 4046 1 230 . 1 1 36 36 ILE C C 13 172.87 . . 1 . . . . . . . . 4046 1 231 . 1 1 36 36 ILE CA C 13 58.86 . . 1 . . . . . . . . 4046 1 232 . 1 1 36 36 ILE CB C 13 38.82 . . 1 . . . . . . . . 4046 1 233 . 1 1 36 36 ILE N N 15 118.08 . . 1 . . . . . . . . 4046 1 234 . 1 1 37 37 CYS H H 1 8.84 . . 1 . . . . . . . . 4046 1 235 . 1 1 37 37 CYS HA H 1 5.01 . . 1 . . . . . . . . 4046 1 236 . 1 1 37 37 CYS HB2 H 1 3.00 . . 2 . . . . . . . . 4046 1 237 . 1 1 37 37 CYS HB3 H 1 3.17 . . 2 . . . . . . . . 4046 1 238 . 1 1 37 37 CYS C C 13 173.34 . . 1 . . . . . . . . 4046 1 239 . 1 1 37 37 CYS CA C 13 55.37 . . 1 . . . . . . . . 4046 1 240 . 1 1 37 37 CYS CB C 13 32.04 . . 1 . . . . . . . . 4046 1 241 . 1 1 37 37 CYS N N 15 121.21 . . 1 . . . . . . . . 4046 1 242 . 1 1 38 38 TRP H H 1 8.17 . . 1 . . . . . . . . 4046 1 243 . 1 1 38 38 TRP HA H 1 5.19 . . 1 . . . . . . . . 4046 1 244 . 1 1 38 38 TRP HB2 H 1 3.63 . . 1 . . . . . . . . 4046 1 245 . 1 1 38 38 TRP HB3 H 1 3.16 . . 1 . . . . . . . . 4046 1 246 . 1 1 38 38 TRP C C 13 179.18 . . 1 . . . . . . . . 4046 1 247 . 1 1 38 38 TRP CA C 13 57.42 . . 1 . . . . . . . . 4046 1 248 . 1 1 38 38 TRP CB C 13 32.24 . . 1 . . . . . . . . 4046 1 249 . 1 1 38 38 TRP N N 15 120.77 . . 1 . . . . . . . . 4046 1 250 . 1 1 39 39 THR H H 1 8.64 . . 1 . . . . . . . . 4046 1 251 . 1 1 39 39 THR HA H 1 4.49 . . 1 . . . . . . . . 4046 1 252 . 1 1 39 39 THR C C 13 177.37 . . 1 . . . . . . . . 4046 1 253 . 1 1 39 39 THR CA C 13 61.95 . . 1 . . . . . . . . 4046 1 254 . 1 1 39 39 THR CB C 13 70.08 . . 1 . . . . . . . . 4046 1 255 . 1 1 39 39 THR N N 15 112.13 . . 1 . . . . . . . . 4046 1 256 . 1 1 40 40 LYS H H 1 8.72 . . 1 . . . . . . . . 4046 1 257 . 1 1 40 40 LYS HA H 1 4.05 . . 1 . . . . . . . . 4046 1 258 . 1 1 40 40 LYS HB2 H 1 1.91 . . 1 . . . . . . . . 4046 1 259 . 1 1 40 40 LYS HB3 H 1 1.91 . . 1 . . . . . . . . 4046 1 260 . 1 1 40 40 LYS C C 13 178.32 . . 1 . . . . . . . . 4046 1 261 . 1 1 40 40 LYS CA C 13 60.38 . . 1 . . . . . . . . 4046 1 262 . 1 1 40 40 LYS CB C 13 32.28 . . 1 . . . . . . . . 4046 1 263 . 1 1 40 40 LYS N N 15 120.50 . . 1 . . . . . . . . 4046 1 264 . 1 1 41 41 ASP H H 1 8.34 . . 1 . . . . . . . . 4046 1 265 . 1 1 41 41 ASP HA H 1 4.74 . . 1 . . . . . . . . 4046 1 266 . 1 1 41 41 ASP HB2 H 1 2.82 . . 1 . . . . . . . . 4046 1 267 . 1 1 41 41 ASP HB3 H 1 2.82 . . 1 . . . . . . . . 4046 1 268 . 1 1 41 41 ASP C C 13 177.99 . . 1 . . . . . . . . 4046 1 269 . 1 1 41 41 ASP CA C 13 54.07 . . 1 . . . . . . . . 4046 1 270 . 1 1 41 41 ASP CB C 13 40.67 . . 1 . . . . . . . . 4046 1 271 . 1 1 41 41 ASP N N 15 115.68 . . 1 . . . . . . . . 4046 1 272 . 1 1 42 42 GLY H H 1 8.36 . . 1 . . . . . . . . 4046 1 273 . 1 1 42 42 GLY HA2 H 1 3.74 . . 2 . . . . . . . . 4046 1 274 . 1 1 42 42 GLY HA3 H 1 3.48 . . 2 . . . . . . . . 4046 1 275 . 1 1 42 42 GLY C C 13 173.56 . . 1 . . . . . . . . 4046 1 276 . 1 1 42 42 GLY CA C 13 46.76 . . 1 . . . . . . . . 4046 1 277 . 1 1 42 42 GLY N N 15 108.17 . . 1 . . . . . . . . 4046 1 278 . 1 1 43 43 GLN H H 1 8.47 . . 1 . . . . . . . . 4046 1 279 . 1 1 43 43 GLN HA H 1 4.60 . . 1 . . . . . . . . 4046 1 280 . 1 1 43 43 GLN HB2 H 1 2.39 . . 2 . . . . . . . . 4046 1 281 . 1 1 43 43 GLN HB3 H 1 2.09 . . 2 . . . . . . . . 4046 1 282 . 1 1 43 43 GLN C C 13 176.16 . . 1 . . . . . . . . 4046 1 283 . 1 1 43 43 GLN CA C 13 55.33 . . 1 . . . . . . . . 4046 1 284 . 1 1 43 43 GLN CB C 13 29.49 . . 1 . . . . . . . . 4046 1 285 . 1 1 43 43 GLN N N 15 113.61 . . 1 . . . . . . . . 4046 1 286 . 1 1 44 44 SER H H 1 8.35 . . 1 . . . . . . . . 4046 1 287 . 1 1 44 44 SER HA H 1 5.56 . . 1 . . . . . . . . 4046 1 288 . 1 1 44 44 SER C C 13 171.70 . . 1 . . . . . . . . 4046 1 289 . 1 1 44 44 SER CA C 13 57.11 . . 1 . . . . . . . . 4046 1 290 . 1 1 44 44 SER CB C 13 65.03 . . 1 . . . . . . . . 4046 1 291 . 1 1 44 44 SER N N 15 114.06 . . 1 . . . . . . . . 4046 1 292 . 1 1 45 45 PHE H H 1 9.08 . . 1 . . . . . . . . 4046 1 293 . 1 1 45 45 PHE HA H 1 5.85 . . 1 . . . . . . . . 4046 1 294 . 1 1 45 45 PHE HB2 H 1 2.77 . . 1 . . . . . . . . 4046 1 295 . 1 1 45 45 PHE HB3 H 1 2.77 . . 1 . . . . . . . . 4046 1 296 . 1 1 45 45 PHE C C 13 171.42 . . 1 . . . . . . . . 4046 1 297 . 1 1 45 45 PHE CA C 13 55.99 . . 1 . . . . . . . . 4046 1 298 . 1 1 45 45 PHE CB C 13 43.72 . . 1 . . . . . . . . 4046 1 299 . 1 1 45 45 PHE N N 15 115.22 . . 1 . . . . . . . . 4046 1 300 . 1 1 46 46 VAL H H 1 9.20 . . 1 . . . . . . . . 4046 1 301 . 1 1 46 46 VAL HA H 1 5.13 . . 1 . . . . . . . . 4046 1 302 . 1 1 46 46 VAL HB H 1 1.72 . . 1 . . . . . . . . 4046 1 303 . 1 1 46 46 VAL C C 13 174.73 . . 1 . . . . . . . . 4046 1 304 . 1 1 46 46 VAL CA C 13 58.54 . . 1 . . . . . . . . 4046 1 305 . 1 1 46 46 VAL CB C 13 36.27 . . 1 . . . . . . . . 4046 1 306 . 1 1 46 46 VAL N N 15 117.59 . . 1 . . . . . . . . 4046 1 307 . 1 1 47 47 ILE H H 1 8.87 . . 1 . . . . . . . . 4046 1 308 . 1 1 47 47 ILE HA H 1 4.65 . . 1 . . . . . . . . 4046 1 309 . 1 1 47 47 ILE HB H 1 1.64 . . 1 . . . . . . . . 4046 1 310 . 1 1 47 47 ILE C C 13 175.91 . . 1 . . . . . . . . 4046 1 311 . 1 1 47 47 ILE CA C 13 60.17 . . 1 . . . . . . . . 4046 1 312 . 1 1 47 47 ILE CB C 13 38.77 . . 1 . . . . . . . . 4046 1 313 . 1 1 47 47 ILE N N 15 124.93 . . 1 . . . . . . . . 4046 1 314 . 1 1 48 48 GLN H H 1 8.60 . . 1 . . . . . . . . 4046 1 315 . 1 1 48 48 GLN HA H 1 4.27 . . 1 . . . . . . . . 4046 1 316 . 1 1 48 48 GLN HB2 H 1 2.22 . . 2 . . . . . . . . 4046 1 317 . 1 1 48 48 GLN HB3 H 1 1.99 . . 2 . . . . . . . . 4046 1 318 . 1 1 48 48 GLN C C 13 175.04 . . 1 . . . . . . . . 4046 1 319 . 1 1 48 48 GLN CA C 13 57.38 . . 1 . . . . . . . . 4046 1 320 . 1 1 48 48 GLN CB C 13 30.23 . . 1 . . . . . . . . 4046 1 321 . 1 1 48 48 GLN N N 15 124.28 . . 1 . . . . . . . . 4046 1 322 . 1 1 49 49 ASN H H 1 7.05 . . 1 . . . . . . . . 4046 1 323 . 1 1 49 49 ASN HA H 1 4.71 . . 1 . . . . . . . . 4046 1 324 . 1 1 49 49 ASN HB2 H 1 2.97 . . 2 . . . . . . . . 4046 1 325 . 1 1 49 49 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 4046 1 326 . 1 1 49 49 ASN C C 13 175.45 . . 1 . . . . . . . . 4046 1 327 . 1 1 49 49 ASN CA C 13 53.22 . . 1 . . . . . . . . 4046 1 328 . 1 1 49 49 ASN CB C 13 39.11 . . 1 . . . . . . . . 4046 1 329 . 1 1 49 49 ASN N N 15 112.74 . . 1 . . . . . . . . 4046 1 330 . 1 1 50 50 GLN H H 1 9.20 . . 1 . . . . . . . . 4046 1 331 . 1 1 50 50 GLN HA H 1 3.85 . . 1 . . . . . . . . 4046 1 332 . 1 1 50 50 GLN HB2 H 1 2.27 . . 1 . . . . . . . . 4046 1 333 . 1 1 50 50 GLN HB3 H 1 2.27 . . 1 . . . . . . . . 4046 1 334 . 1 1 50 50 GLN C C 13 177.12 . . 1 . . . . . . . . 4046 1 335 . 1 1 50 50 GLN CA C 13 61.06 . . 1 . . . . . . . . 4046 1 336 . 1 1 50 50 GLN CB C 13 30.00 . . 1 . . . . . . . . 4046 1 337 . 1 1 50 50 GLN N N 15 124.60 . . 1 . . . . . . . . 4046 1 338 . 1 1 51 51 ALA H H 1 8.63 . . 1 . . . . . . . . 4046 1 339 . 1 1 51 51 ALA HA H 1 4.22 . . 1 . . . . . . . . 4046 1 340 . 1 1 51 51 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4046 1 341 . 1 1 51 51 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4046 1 342 . 1 1 51 51 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4046 1 343 . 1 1 51 51 ALA C C 13 181.08 . . 1 . . . . . . . . 4046 1 344 . 1 1 51 51 ALA CA C 13 55.45 . . 1 . . . . . . . . 4046 1 345 . 1 1 51 51 ALA CB C 13 18.30 . . 1 . . . . . . . . 4046 1 346 . 1 1 51 51 ALA N N 15 121.82 . . 1 . . . . . . . . 4046 1 347 . 1 1 52 52 GLN H H 1 8.17 . . 1 . . . . . . . . 4046 1 348 . 1 1 52 52 GLN HA H 1 4.08 . . 1 . . . . . . . . 4046 1 349 . 1 1 52 52 GLN HB2 H 1 2.00 . . 1 . . . . . . . . 4046 1 350 . 1 1 52 52 GLN HB3 H 1 2.00 . . 1 . . . . . . . . 4046 1 351 . 1 1 52 52 GLN C C 13 178.20 . . 1 . . . . . . . . 4046 1 352 . 1 1 52 52 GLN CA C 13 58.38 . . 1 . . . . . . . . 4046 1 353 . 1 1 52 52 GLN CB C 13 28.42 . . 1 . . . . . . . . 4046 1 354 . 1 1 52 52 GLN N N 15 118.30 . . 1 . . . . . . . . 4046 1 355 . 1 1 53 53 PHE H H 1 8.60 . . 1 . . . . . . . . 4046 1 356 . 1 1 53 53 PHE HA H 1 3.93 . . 1 . . . . . . . . 4046 1 357 . 1 1 53 53 PHE HB2 H 1 3.31 . . 2 . . . . . . . . 4046 1 358 . 1 1 53 53 PHE HB3 H 1 3.09 . . 2 . . . . . . . . 4046 1 359 . 1 1 53 53 PHE C C 13 177.06 . . 1 . . . . . . . . 4046 1 360 . 1 1 53 53 PHE CA C 13 62.79 . . 1 . . . . . . . . 4046 1 361 . 1 1 53 53 PHE CB C 13 40.18 . . 1 . . . . . . . . 4046 1 362 . 1 1 53 53 PHE N N 15 120.22 . . 1 . . . . . . . . 4046 1 363 . 1 1 54 54 ALA H H 1 8.59 . . 1 . . . . . . . . 4046 1 364 . 1 1 54 54 ALA HA H 1 3.74 . . 1 . . . . . . . . 4046 1 365 . 1 1 54 54 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 4046 1 366 . 1 1 54 54 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 4046 1 367 . 1 1 54 54 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 4046 1 368 . 1 1 54 54 ALA C C 13 176.71 . . 1 . . . . . . . . 4046 1 369 . 1 1 54 54 ALA CA C 13 54.51 . . 1 . . . . . . . . 4046 1 370 . 1 1 54 54 ALA CB C 13 18.83 . . 1 . . . . . . . . 4046 1 371 . 1 1 54 54 ALA N N 15 121.04 . . 1 . . . . . . . . 4046 1 372 . 1 1 55 55 LYS H H 1 7.34 . . 1 . . . . . . . . 4046 1 373 . 1 1 55 55 LYS HA H 1 4.15 . . 1 . . . . . . . . 4046 1 374 . 1 1 55 55 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 4046 1 375 . 1 1 55 55 LYS HB3 H 1 1.82 . . 2 . . . . . . . . 4046 1 376 . 1 1 55 55 LYS C C 13 177.95 . . 1 . . . . . . . . 4046 1 377 . 1 1 55 55 LYS CA C 13 58.16 . . 1 . . . . . . . . 4046 1 378 . 1 1 55 55 LYS CB C 13 33.97 . . 1 . . . . . . . . 4046 1 379 . 1 1 55 55 LYS N N 15 112.26 . . 1 . . . . . . . . 4046 1 380 . 1 1 56 56 GLU H H 1 8.17 . . 1 . . . . . . . . 4046 1 381 . 1 1 56 56 GLU HA H 1 4.34 . . 1 . . . . . . . . 4046 1 382 . 1 1 56 56 GLU HB2 H 1 1.92 . . 1 . . . . . . . . 4046 1 383 . 1 1 56 56 GLU HB3 H 1 1.92 . . 1 . . . . . . . . 4046 1 384 . 1 1 56 56 GLU C C 13 177.66 . . 1 . . . . . . . . 4046 1 385 . 1 1 56 56 GLU CA C 13 58.01 . . 1 . . . . . . . . 4046 1 386 . 1 1 56 56 GLU CB C 13 32.14 . . 1 . . . . . . . . 4046 1 387 . 1 1 56 56 GLU N N 15 113.71 . . 1 . . . . . . . . 4046 1 388 . 1 1 57 57 LEU H H 1 7.60 . . 1 . . . . . . . . 4046 1 389 . 1 1 57 57 LEU HA H 1 4.42 . . 1 . . . . . . . . 4046 1 390 . 1 1 57 57 LEU HB2 H 1 1.29 . . 2 . . . . . . . . 4046 1 391 . 1 1 57 57 LEU HB3 H 1 0.93 . . 2 . . . . . . . . 4046 1 392 . 1 1 57 57 LEU C C 13 179.28 . . 1 . . . . . . . . 4046 1 393 . 1 1 57 57 LEU CA C 13 55.87 . . 1 . . . . . . . . 4046 1 394 . 1 1 57 57 LEU CB C 13 42.64 . . 1 . . . . . . . . 4046 1 395 . 1 1 57 57 LEU N N 15 115.46 . . 1 . . . . . . . . 4046 1 396 . 1 1 58 58 LEU H H 1 7.14 . . 1 . . . . . . . . 4046 1 397 . 1 1 58 58 LEU HA H 1 3.90 . . 1 . . . . . . . . 4046 1 398 . 1 1 58 58 LEU HB2 H 1 1.83 . . 2 . . . . . . . . 4046 1 399 . 1 1 58 58 LEU HB3 H 1 1.35 . . 2 . . . . . . . . 4046 1 400 . 1 1 58 58 LEU CA C 13 59.96 . . 1 . . . . . . . . 4046 1 401 . 1 1 58 58 LEU CB C 13 38.60 . . 1 . . . . . . . . 4046 1 402 . 1 1 58 58 LEU N N 15 120.70 . . 1 . . . . . . . . 4046 1 403 . 1 1 59 59 PRO HA H 1 4.02 . . 1 . . . . . . . . 4046 1 404 . 1 1 59 59 PRO C C 13 179.29 . . 1 . . . . . . . . 4046 1 405 . 1 1 59 59 PRO CA C 13 66.54 . . 1 . . . . . . . . 4046 1 406 . 1 1 59 59 PRO CB C 13 31.20 . . 1 . . . . . . . . 4046 1 407 . 1 1 60 60 LEU H H 1 6.33 . . 1 . . . . . . . . 4046 1 408 . 1 1 60 60 LEU HA H 1 4.01 . . 1 . . . . . . . . 4046 1 409 . 1 1 60 60 LEU HB2 H 1 1.57 . . 2 . . . . . . . . 4046 1 410 . 1 1 60 60 LEU HB3 H 1 1.50 . . 2 . . . . . . . . 4046 1 411 . 1 1 60 60 LEU C C 13 177.31 . . 1 . . . . . . . . 4046 1 412 . 1 1 60 60 LEU CA C 13 56.67 . . 1 . . . . . . . . 4046 1 413 . 1 1 60 60 LEU CB C 13 43.03 . . 1 . . . . . . . . 4046 1 414 . 1 1 60 60 LEU N N 15 114.30 . . 1 . . . . . . . . 4046 1 415 . 1 1 61 61 ASN H H 1 7.20 . . 1 . . . . . . . . 4046 1 416 . 1 1 61 61 ASN HA H 1 4.39 . . 1 . . . . . . . . 4046 1 417 . 1 1 61 61 ASN C C 13 174.20 . . 1 . . . . . . . . 4046 1 418 . 1 1 61 61 ASN CA C 13 55.62 . . 1 . . . . . . . . 4046 1 419 . 1 1 61 61 ASN CB C 13 42.76 . . 1 . . . . . . . . 4046 1 420 . 1 1 61 61 ASN N N 15 112.78 . . 1 . . . . . . . . 4046 1 421 . 1 1 62 62 TYR H H 1 8.66 . . 1 . . . . . . . . 4046 1 422 . 1 1 62 62 TYR HA H 1 4.85 . . 1 . . . . . . . . 4046 1 423 . 1 1 62 62 TYR C C 13 174.71 . . 1 . . . . . . . . 4046 1 424 . 1 1 62 62 TYR CA C 13 57.51 . . 1 . . . . . . . . 4046 1 425 . 1 1 62 62 TYR CB C 13 40.22 . . 1 . . . . . . . . 4046 1 426 . 1 1 62 62 TYR N N 15 115.39 . . 1 . . . . . . . . 4046 1 427 . 1 1 63 63 LYS H H 1 7.75 . . 1 . . . . . . . . 4046 1 428 . 1 1 63 63 LYS HA H 1 4.17 . . 1 . . . . . . . . 4046 1 429 . 1 1 63 63 LYS C C 13 174.88 . . 1 . . . . . . . . 4046 1 430 . 1 1 63 63 LYS CA C 13 57.73 . . 1 . . . . . . . . 4046 1 431 . 1 1 63 63 LYS CB C 13 29.38 . . 1 . . . . . . . . 4046 1 432 . 1 1 63 63 LYS N N 15 114.74 . . 1 . . . . . . . . 4046 1 433 . 1 1 64 64 HIS H H 1 7.43 . . 1 . . . . . . . . 4046 1 434 . 1 1 64 64 HIS HA H 1 4.66 . . 1 . . . . . . . . 4046 1 435 . 1 1 64 64 HIS C C 13 172.08 . . 1 . . . . . . . . 4046 1 436 . 1 1 64 64 HIS CA C 13 55.61 . . 1 . . . . . . . . 4046 1 437 . 1 1 64 64 HIS CB C 13 32.26 . . 1 . . . . . . . . 4046 1 438 . 1 1 64 64 HIS N N 15 114.19 . . 1 . . . . . . . . 4046 1 439 . 1 1 65 65 ASN H H 1 7.95 . . 1 . . . . . . . . 4046 1 440 . 1 1 65 65 ASN HA H 1 4.93 . . 1 . . . . . . . . 4046 1 441 . 1 1 65 65 ASN CA C 13 51.72 . . 1 . . . . . . . . 4046 1 442 . 1 1 65 65 ASN CB C 13 39.73 . . 1 . . . . . . . . 4046 1 443 . 1 1 65 65 ASN N N 15 115.75 . . 1 . . . . . . . . 4046 1 444 . 1 1 66 66 ASN HA H 1 4.85 . . 1 . . . . . . . . 4046 1 445 . 1 1 66 66 ASN C C 13 175.12 . . 1 . . . . . . . . 4046 1 446 . 1 1 66 66 ASN CA C 13 52.93 . . 1 . . . . . . . . 4046 1 447 . 1 1 66 66 ASN CB C 13 40.03 . . 1 . . . . . . . . 4046 1 448 . 1 1 67 67 MET H H 1 9.04 . . 1 . . . . . . . . 4046 1 449 . 1 1 67 67 MET HA H 1 4.39 . . 1 . . . . . . . . 4046 1 450 . 1 1 67 67 MET HB2 H 1 2.34 . . 2 . . . . . . . . 4046 1 451 . 1 1 67 67 MET HB3 H 1 2.04 . . 2 . . . . . . . . 4046 1 452 . 1 1 67 67 MET C C 13 177.78 . . 1 . . . . . . . . 4046 1 453 . 1 1 67 67 MET CA C 13 57.73 . . 1 . . . . . . . . 4046 1 454 . 1 1 67 67 MET CB C 13 32.54 . . 1 . . . . . . . . 4046 1 455 . 1 1 67 67 MET N N 15 126.38 . . 1 . . . . . . . . 4046 1 456 . 1 1 68 68 ALA H H 1 8.40 . . 1 . . . . . . . . 4046 1 457 . 1 1 68 68 ALA HA H 1 4.13 . . 1 . . . . . . . . 4046 1 458 . 1 1 68 68 ALA HB1 H 1 1.50 . . 1 . . . . . . . . 4046 1 459 . 1 1 68 68 ALA HB2 H 1 1.50 . . 1 . . . . . . . . 4046 1 460 . 1 1 68 68 ALA HB3 H 1 1.50 . . 1 . . . . . . . . 4046 1 461 . 1 1 68 68 ALA C C 13 181.25 . . 1 . . . . . . . . 4046 1 462 . 1 1 68 68 ALA CA C 13 55.64 . . 1 . . . . . . . . 4046 1 463 . 1 1 68 68 ALA CB C 13 17.62 . . 1 . . . . . . . . 4046 1 464 . 1 1 68 68 ALA N N 15 120.08 . . 1 . . . . . . . . 4046 1 465 . 1 1 69 69 SER H H 1 8.03 . . 1 . . . . . . . . 4046 1 466 . 1 1 69 69 SER HA H 1 4.12 . . 1 . . . . . . . . 4046 1 467 . 1 1 69 69 SER HB2 H 1 3.76 . . 1 . . . . . . . . 4046 1 468 . 1 1 69 69 SER HB3 H 1 3.76 . . 1 . . . . . . . . 4046 1 469 . 1 1 69 69 SER C C 13 176.63 . . 1 . . . . . . . . 4046 1 470 . 1 1 69 69 SER CA C 13 61.28 . . 1 . . . . . . . . 4046 1 471 . 1 1 69 69 SER CB C 13 62.80 . . 1 . . . . . . . . 4046 1 472 . 1 1 69 69 SER N N 15 114.36 . . 1 . . . . . . . . 4046 1 473 . 1 1 70 70 PHE H H 1 7.78 . . 1 . . . . . . . . 4046 1 474 . 1 1 70 70 PHE HA H 1 4.39 . . 1 . . . . . . . . 4046 1 475 . 1 1 70 70 PHE HB2 H 1 3.63 . . 2 . . . . . . . . 4046 1 476 . 1 1 70 70 PHE HB3 H 1 3.14 . . 2 . . . . . . . . 4046 1 477 . 1 1 70 70 PHE C C 13 176.29 . . 1 . . . . . . . . 4046 1 478 . 1 1 70 70 PHE CA C 13 61.24 . . 1 . . . . . . . . 4046 1 479 . 1 1 70 70 PHE CB C 13 39.97 . . 1 . . . . . . . . 4046 1 480 . 1 1 70 70 PHE N N 15 123.45 . . 1 . . . . . . . . 4046 1 481 . 1 1 71 71 ILE H H 1 8.68 . . 1 . . . . . . . . 4046 1 482 . 1 1 71 71 ILE HA H 1 3.20 . . 1 . . . . . . . . 4046 1 483 . 1 1 71 71 ILE HB H 1 1.98 . . 1 . . . . . . . . 4046 1 484 . 1 1 71 71 ILE C C 13 177.93 . . 1 . . . . . . . . 4046 1 485 . 1 1 71 71 ILE CA C 13 65.22 . . 1 . . . . . . . . 4046 1 486 . 1 1 71 71 ILE CB C 13 37.51 . . 1 . . . . . . . . 4046 1 487 . 1 1 71 71 ILE N N 15 119.05 . . 1 . . . . . . . . 4046 1 488 . 1 1 72 72 ARG H H 1 8.05 . . 1 . . . . . . . . 4046 1 489 . 1 1 72 72 ARG HA H 1 4.02 . . 1 . . . . . . . . 4046 1 490 . 1 1 72 72 ARG HB2 H 1 1.91 . . 1 . . . . . . . . 4046 1 491 . 1 1 72 72 ARG HB3 H 1 1.91 . . 1 . . . . . . . . 4046 1 492 . 1 1 72 72 ARG C C 13 179.26 . . 1 . . . . . . . . 4046 1 493 . 1 1 72 72 ARG CA C 13 59.93 . . 1 . . . . . . . . 4046 1 494 . 1 1 72 72 ARG CB C 13 29.92 . . 1 . . . . . . . . 4046 1 495 . 1 1 72 72 ARG N N 15 119.67 . . 1 . . . . . . . . 4046 1 496 . 1 1 73 73 GLN H H 1 7.50 . . 1 . . . . . . . . 4046 1 497 . 1 1 73 73 GLN HA H 1 3.72 . . 1 . . . . . . . . 4046 1 498 . 1 1 73 73 GLN HB2 H 1 1.67 . . 2 . . . . . . . . 4046 1 499 . 1 1 73 73 GLN HB3 H 1 0.93 . . 2 . . . . . . . . 4046 1 500 . 1 1 73 73 GLN C C 13 177.96 . . 1 . . . . . . . . 4046 1 501 . 1 1 73 73 GLN CA C 13 59.05 . . 1 . . . . . . . . 4046 1 502 . 1 1 73 73 GLN CB C 13 28.20 . . 1 . . . . . . . . 4046 1 503 . 1 1 73 73 GLN N N 15 119.13 . . 1 . . . . . . . . 4046 1 504 . 1 1 74 74 LEU H H 1 7.51 . . 1 . . . . . . . . 4046 1 505 . 1 1 74 74 LEU HA H 1 3.69 . . 1 . . . . . . . . 4046 1 506 . 1 1 74 74 LEU HB2 H 1 1.57 . . 2 . . . . . . . . 4046 1 507 . 1 1 74 74 LEU HB3 H 1 0.53 . . 2 . . . . . . . . 4046 1 508 . 1 1 74 74 LEU C C 13 180.35 . . 1 . . . . . . . . 4046 1 509 . 1 1 74 74 LEU CA C 13 58.09 . . 1 . . . . . . . . 4046 1 510 . 1 1 74 74 LEU CB C 13 40.18 . . 1 . . . . . . . . 4046 1 511 . 1 1 74 74 LEU N N 15 117.82 . . 1 . . . . . . . . 4046 1 512 . 1 1 75 75 ASN H H 1 8.44 . . 1 . . . . . . . . 4046 1 513 . 1 1 75 75 ASN HA H 1 4.59 . . 1 . . . . . . . . 4046 1 514 . 1 1 75 75 ASN HB2 H 1 2.93 . . 1 . . . . . . . . 4046 1 515 . 1 1 75 75 ASN HB3 H 1 2.93 . . 1 . . . . . . . . 4046 1 516 . 1 1 75 75 ASN C C 13 179.61 . . 1 . . . . . . . . 4046 1 517 . 1 1 75 75 ASN CA C 13 56.74 . . 1 . . . . . . . . 4046 1 518 . 1 1 75 75 ASN CB C 13 38.72 . . 1 . . . . . . . . 4046 1 519 . 1 1 75 75 ASN N N 15 118.11 . . 1 . . . . . . . . 4046 1 520 . 1 1 76 76 MET H H 1 8.23 . . 1 . . . . . . . . 4046 1 521 . 1 1 76 76 MET HA H 1 4.34 . . 1 . . . . . . . . 4046 1 522 . 1 1 76 76 MET HB2 H 1 1.92 . . 1 . . . . . . . . 4046 1 523 . 1 1 76 76 MET HB3 H 1 1.92 . . 1 . . . . . . . . 4046 1 524 . 1 1 76 76 MET C C 13 177.05 . . 1 . . . . . . . . 4046 1 525 . 1 1 76 76 MET CA C 13 58.42 . . 1 . . . . . . . . 4046 1 526 . 1 1 76 76 MET CB C 13 32.14 . . 1 . . . . . . . . 4046 1 527 . 1 1 76 76 MET N N 15 121.55 . . 1 . . . . . . . . 4046 1 528 . 1 1 77 77 TYR H H 1 7.60 . . 1 . . . . . . . . 4046 1 529 . 1 1 77 77 TYR HA H 1 4.71 . . 1 . . . . . . . . 4046 1 530 . 1 1 77 77 TYR HB2 H 1 3.69 . . 2 . . . . . . . . 4046 1 531 . 1 1 77 77 TYR HB3 H 1 2.87 . . 2 . . . . . . . . 4046 1 532 . 1 1 77 77 TYR C C 13 174.55 . . 1 . . . . . . . . 4046 1 533 . 1 1 77 77 TYR CA C 13 59.93 . . 1 . . . . . . . . 4046 1 534 . 1 1 77 77 TYR CB C 13 39.15 . . 1 . . . . . . . . 4046 1 535 . 1 1 77 77 TYR N N 15 115.62 . . 1 . . . . . . . . 4046 1 536 . 1 1 78 78 GLY H H 1 7.95 . . 1 . . . . . . . . 4046 1 537 . 1 1 78 78 GLY HA2 H 1 4.30 . . 2 . . . . . . . . 4046 1 538 . 1 1 78 78 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 4046 1 539 . 1 1 78 78 GLY C C 13 176.07 . . 1 . . . . . . . . 4046 1 540 . 1 1 78 78 GLY CA C 13 46.34 . . 1 . . . . . . . . 4046 1 541 . 1 1 78 78 GLY N N 15 103.85 . . 1 . . . . . . . . 4046 1 542 . 1 1 79 79 PHE H H 1 8.28 . . 1 . . . . . . . . 4046 1 543 . 1 1 79 79 PHE HA H 1 4.68 . . 1 . . . . . . . . 4046 1 544 . 1 1 79 79 PHE HB2 H 1 2.69 . . 2 . . . . . . . . 4046 1 545 . 1 1 79 79 PHE HB3 H 1 2.93 . . 2 . . . . . . . . 4046 1 546 . 1 1 79 79 PHE C C 13 175.95 . . 1 . . . . . . . . 4046 1 547 . 1 1 79 79 PHE CA C 13 59.12 . . 1 . . . . . . . . 4046 1 548 . 1 1 79 79 PHE CB C 13 40.13 . . 1 . . . . . . . . 4046 1 549 . 1 1 79 79 PHE N N 15 118.14 . . 1 . . . . . . . . 4046 1 550 . 1 1 80 80 HIS H H 1 9.52 . . 1 . . . . . . . . 4046 1 551 . 1 1 80 80 HIS HA H 1 5.04 . . 1 . . . . . . . . 4046 1 552 . 1 1 80 80 HIS HB2 H 1 3.16 . . 1 . . . . . . . . 4046 1 553 . 1 1 80 80 HIS HB3 H 1 3.16 . . 1 . . . . . . . . 4046 1 554 . 1 1 80 80 HIS C C 13 173.73 . . 1 . . . . . . . . 4046 1 555 . 1 1 80 80 HIS CA C 13 54.42 . . 1 . . . . . . . . 4046 1 556 . 1 1 80 80 HIS CB C 13 31.71 . . 1 . . . . . . . . 4046 1 557 . 1 1 80 80 HIS N N 15 119.71 . . 1 . . . . . . . . 4046 1 558 . 1 1 81 81 LYS H H 1 8.65 . . 1 . . . . . . . . 4046 1 559 . 1 1 81 81 LYS HA H 1 4.32 . . 1 . . . . . . . . 4046 1 560 . 1 1 81 81 LYS HB2 H 1 1.53 . . 1 . . . . . . . . 4046 1 561 . 1 1 81 81 LYS HB3 H 1 1.53 . . 1 . . . . . . . . 4046 1 562 . 1 1 81 81 LYS C C 13 176.02 . . 1 . . . . . . . . 4046 1 563 . 1 1 81 81 LYS CA C 13 55.61 . . 1 . . . . . . . . 4046 1 564 . 1 1 81 81 LYS CB C 13 33.35 . . 1 . . . . . . . . 4046 1 565 . 1 1 81 81 LYS N N 15 125.82 . . 1 . . . . . . . . 4046 1 566 . 1 1 82 82 ILE H H 1 8.39 . . 1 . . . . . . . . 4046 1 567 . 1 1 82 82 ILE HA H 1 4.16 . . 1 . . . . . . . . 4046 1 568 . 1 1 82 82 ILE HB H 1 1.53 . . 1 . . . . . . . . 4046 1 569 . 1 1 82 82 ILE C C 13 175.94 . . 1 . . . . . . . . 4046 1 570 . 1 1 82 82 ILE CA C 13 60.17 . . 1 . . . . . . . . 4046 1 571 . 1 1 82 82 ILE CB C 13 38.40 . . 1 . . . . . . . . 4046 1 572 . 1 1 82 82 ILE N N 15 128.10 . . 1 . . . . . . . . 4046 1 573 . 1 1 83 83 THR H H 1 8.30 . . 1 . . . . . . . . 4046 1 574 . 1 1 83 83 THR HA H 1 4.43 . . 1 . . . . . . . . 4046 1 575 . 1 1 83 83 THR HB H 1 4.13 . . 1 . . . . . . . . 4046 1 576 . 1 1 83 83 THR C C 13 174.20 . . 1 . . . . . . . . 4046 1 577 . 1 1 83 83 THR CA C 13 61.38 . . 1 . . . . . . . . 4046 1 578 . 1 1 83 83 THR CB C 13 70.32 . . 1 . . . . . . . . 4046 1 579 . 1 1 83 83 THR N N 15 119.97 . . 1 . . . . . . . . 4046 1 580 . 1 1 84 84 SER H H 1 8.53 . . 1 . . . . . . . . 4046 1 581 . 1 1 84 84 SER HA H 1 4.49 . . 1 . . . . . . . . 4046 1 582 . 1 1 84 84 SER HB2 H 1 3.82 . . 1 . . . . . . . . 4046 1 583 . 1 1 84 84 SER HB3 H 1 3.82 . . 1 . . . . . . . . 4046 1 584 . 1 1 84 84 SER C C 13 174.72 . . 1 . . . . . . . . 4046 1 585 . 1 1 84 84 SER CA C 13 58.31 . . 1 . . . . . . . . 4046 1 586 . 1 1 84 84 SER CB C 13 63.96 . . 1 . . . . . . . . 4046 1 587 . 1 1 84 84 SER N N 15 119.43 . . 1 . . . . . . . . 4046 1 588 . 1 1 85 85 ILE H H 1 8.20 . . 1 . . . . . . . . 4046 1 589 . 1 1 85 85 ILE HA H 1 4.17 . . 1 . . . . . . . . 4046 1 590 . 1 1 85 85 ILE HB H 1 1.85 . . 1 . . . . . . . . 4046 1 591 . 1 1 85 85 ILE C C 13 176.11 . . 1 . . . . . . . . 4046 1 592 . 1 1 85 85 ILE CA C 13 61.51 . . 1 . . . . . . . . 4046 1 593 . 1 1 85 85 ILE CB C 13 38.85 . . 1 . . . . . . . . 4046 1 594 . 1 1 85 85 ILE N N 15 121.59 . . 1 . . . . . . . . 4046 1 595 . 1 1 86 86 ASP H H 1 8.26 . . 1 . . . . . . . . 4046 1 596 . 1 1 86 86 ASP HA H 1 4.61 . . 1 . . . . . . . . 4046 1 597 . 1 1 86 86 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4046 1 598 . 1 1 86 86 ASP HB3 H 1 2.66 . . 1 . . . . . . . . 4046 1 599 . 1 1 86 86 ASP C C 13 176.24 . . 1 . . . . . . . . 4046 1 600 . 1 1 86 86 ASP CA C 13 54.33 . . 1 . . . . . . . . 4046 1 601 . 1 1 86 86 ASP CB C 13 41.51 . . 1 . . . . . . . . 4046 1 602 . 1 1 86 86 ASP N N 15 122.93 . . 1 . . . . . . . . 4046 1 603 . 1 1 87 87 ASN H H 1 8.36 . . 1 . . . . . . . . 4046 1 604 . 1 1 87 87 ASN HA H 1 4.68 . . 1 . . . . . . . . 4046 1 605 . 1 1 87 87 ASN HB2 H 1 2.82 . . 1 . . . . . . . . 4046 1 606 . 1 1 87 87 ASN HB3 H 1 2.82 . . 1 . . . . . . . . 4046 1 607 . 1 1 87 87 ASN C C 13 176.15 . . 1 . . . . . . . . 4046 1 608 . 1 1 87 87 ASN CA C 13 53.50 . . 1 . . . . . . . . 4046 1 609 . 1 1 87 87 ASN CB C 13 38.78 . . 1 . . . . . . . . 4046 1 610 . 1 1 87 87 ASN N N 15 119.41 . . 1 . . . . . . . . 4046 1 611 . 1 1 88 88 GLY H H 1 8.48 . . 1 . . . . . . . . 4046 1 612 . 1 1 88 88 GLY HA2 H 1 3.95 . . 1 . . . . . . . . 4046 1 613 . 1 1 88 88 GLY HA3 H 1 3.95 . . 1 . . . . . . . . 4046 1 614 . 1 1 88 88 GLY C C 13 174.94 . . 1 . . . . . . . . 4046 1 615 . 1 1 88 88 GLY CA C 13 45.87 . . 1 . . . . . . . . 4046 1 616 . 1 1 88 88 GLY N N 15 108.66 . . 1 . . . . . . . . 4046 1 617 . 1 1 89 89 GLY H H 1 8.20 . . 1 . . . . . . . . 4046 1 618 . 1 1 89 89 GLY HA2 H 1 3.92 . . 1 . . . . . . . . 4046 1 619 . 1 1 89 89 GLY HA3 H 1 3.92 . . 1 . . . . . . . . 4046 1 620 . 1 1 89 89 GLY C C 13 174.15 . . 1 . . . . . . . . 4046 1 621 . 1 1 89 89 GLY CA C 13 45.33 . . 1 . . . . . . . . 4046 1 622 . 1 1 89 89 GLY N N 15 108.21 . . 1 . . . . . . . . 4046 1 623 . 1 1 90 90 LEU H H 1 8.01 . . 1 . . . . . . . . 4046 1 624 . 1 1 90 90 LEU HA H 1 4.29 . . 1 . . . . . . . . 4046 1 625 . 1 1 90 90 LEU HB2 H 1 1.56 . . 2 . . . . . . . . 4046 1 626 . 1 1 90 90 LEU HB3 H 1 1.47 . . 2 . . . . . . . . 4046 1 627 . 1 1 90 90 LEU C C 13 177.24 . . 1 . . . . . . . . 4046 1 628 . 1 1 90 90 LEU CA C 13 55.45 . . 1 . . . . . . . . 4046 1 629 . 1 1 90 90 LEU CB C 13 42.35 . . 1 . . . . . . . . 4046 1 630 . 1 1 90 90 LEU N N 15 121.07 . . 1 . . . . . . . . 4046 1 631 . 1 1 91 91 ARG H H 1 8.25 . . 1 . . . . . . . . 4046 1 632 . 1 1 91 91 ARG HA H 1 4.31 . . 1 . . . . . . . . 4046 1 633 . 1 1 91 91 ARG HB2 H 1 1.71 . . 1 . . . . . . . . 4046 1 634 . 1 1 91 91 ARG HB3 H 1 1.71 . . 1 . . . . . . . . 4046 1 635 . 1 1 91 91 ARG C C 13 176.11 . . 1 . . . . . . . . 4046 1 636 . 1 1 91 91 ARG CA C 13 55.76 . . 1 . . . . . . . . 4046 1 637 . 1 1 91 91 ARG CB C 13 30.92 . . 1 . . . . . . . . 4046 1 638 . 1 1 91 91 ARG N N 15 120.64 . . 1 . . . . . . . . 4046 1 639 . 1 1 92 92 PHE H H 1 8.25 . . 1 . . . . . . . . 4046 1 640 . 1 1 92 92 PHE HA H 1 4.64 . . 1 . . . . . . . . 4046 1 641 . 1 1 92 92 PHE HB2 H 1 3.22 . . 2 . . . . . . . . 4046 1 642 . 1 1 92 92 PHE HB3 H 1 3.00 . . 2 . . . . . . . . 4046 1 643 . 1 1 92 92 PHE C C 13 175.54 . . 1 . . . . . . . . 4046 1 644 . 1 1 92 92 PHE CA C 13 57.79 . . 1 . . . . . . . . 4046 1 645 . 1 1 92 92 PHE CB C 13 39.54 . . 1 . . . . . . . . 4046 1 646 . 1 1 92 92 PHE N N 15 120.70 . . 1 . . . . . . . . 4046 1 647 . 1 1 93 93 ASP H H 1 8.49 . . 1 . . . . . . . . 4046 1 648 . 1 1 93 93 ASP HA H 1 4.78 . . 1 . . . . . . . . 4046 1 649 . 1 1 93 93 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4046 1 650 . 1 1 93 93 ASP HB3 H 1 2.66 . . 1 . . . . . . . . 4046 1 651 . 1 1 93 93 ASP C C 13 175.93 . . 1 . . . . . . . . 4046 1 652 . 1 1 93 93 ASP CA C 13 54.37 . . 1 . . . . . . . . 4046 1 653 . 1 1 93 93 ASP CB C 13 41.12 . . 1 . . . . . . . . 4046 1 654 . 1 1 93 93 ASP N N 15 120.52 . . 1 . . . . . . . . 4046 1 655 . 1 1 94 94 ARG H H 1 8.06 . . 1 . . . . . . . . 4046 1 656 . 1 1 94 94 ARG HA H 1 4.44 . . 1 . . . . . . . . 4046 1 657 . 1 1 94 94 ARG HB2 H 1 1.95 . . 2 . . . . . . . . 4046 1 658 . 1 1 94 94 ARG HB3 H 1 1.82 . . 2 . . . . . . . . 4046 1 659 . 1 1 94 94 ARG C C 13 175.79 . . 1 . . . . . . . . 4046 1 660 . 1 1 94 94 ARG CA C 13 56.03 . . 1 . . . . . . . . 4046 1 661 . 1 1 94 94 ARG CB C 13 31.43 . . 1 . . . . . . . . 4046 1 662 . 1 1 94 94 ARG N N 15 119.99 . . 1 . . . . . . . . 4046 1 663 . 1 1 95 95 ASP H H 1 8.64 . . 1 . . . . . . . . 4046 1 664 . 1 1 95 95 ASP HA H 1 4.62 . . 1 . . . . . . . . 4046 1 665 . 1 1 95 95 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4046 1 666 . 1 1 95 95 ASP HB3 H 1 2.66 . . 1 . . . . . . . . 4046 1 667 . 1 1 95 95 ASP C C 13 176.17 . . 1 . . . . . . . . 4046 1 668 . 1 1 95 95 ASP CA C 13 54.45 . . 1 . . . . . . . . 4046 1 669 . 1 1 95 95 ASP CB C 13 41.44 . . 1 . . . . . . . . 4046 1 670 . 1 1 95 95 ASP N N 15 121.82 . . 1 . . . . . . . . 4046 1 671 . 1 1 96 96 GLU H H 1 8.40 . . 1 . . . . . . . . 4046 1 672 . 1 1 96 96 GLU HA H 1 4.96 . . 1 . . . . . . . . 4046 1 673 . 1 1 96 96 GLU HB2 H 1 1.86 . . 1 . . . . . . . . 4046 1 674 . 1 1 96 96 GLU HB3 H 1 1.86 . . 1 . . . . . . . . 4046 1 675 . 1 1 96 96 GLU C C 13 176.17 . . 1 . . . . . . . . 4046 1 676 . 1 1 96 96 GLU CA C 13 55.70 . . 1 . . . . . . . . 4046 1 677 . 1 1 96 96 GLU CB C 13 31.67 . . 1 . . . . . . . . 4046 1 678 . 1 1 96 96 GLU N N 15 120.24 . . 1 . . . . . . . . 4046 1 679 . 1 1 97 97 ILE H H 1 8.35 . . 1 . . . . . . . . 4046 1 680 . 1 1 97 97 ILE HA H 1 4.39 . . 1 . . . . . . . . 4046 1 681 . 1 1 97 97 ILE HB H 1 1.55 . . 1 . . . . . . . . 4046 1 682 . 1 1 97 97 ILE C C 13 171.12 . . 1 . . . . . . . . 4046 1 683 . 1 1 97 97 ILE CA C 13 60.66 . . 1 . . . . . . . . 4046 1 684 . 1 1 97 97 ILE CB C 13 41.73 . . 1 . . . . . . . . 4046 1 685 . 1 1 97 97 ILE N N 15 119.56 . . 1 . . . . . . . . 4046 1 686 . 1 1 98 98 GLU H H 1 8.13 . . 1 . . . . . . . . 4046 1 687 . 1 1 98 98 GLU HA H 1 5.17 . . 1 . . . . . . . . 4046 1 688 . 1 1 98 98 GLU HB2 H 1 1.79 . . 1 . . . . . . . . 4046 1 689 . 1 1 98 98 GLU HB3 H 1 1.79 . . 1 . . . . . . . . 4046 1 690 . 1 1 98 98 GLU C C 13 174.01 . . 1 . . . . . . . . 4046 1 691 . 1 1 98 98 GLU CA C 13 53.84 . . 1 . . . . . . . . 4046 1 692 . 1 1 98 98 GLU CB C 13 33.47 . . 1 . . . . . . . . 4046 1 693 . 1 1 98 98 GLU N N 15 127.85 . . 1 . . . . . . . . 4046 1 694 . 1 1 99 99 PHE H H 1 8.24 . . 1 . . . . . . . . 4046 1 695 . 1 1 99 99 PHE HA H 1 5.52 . . 1 . . . . . . . . 4046 1 696 . 1 1 99 99 PHE C C 13 174.82 . . 1 . . . . . . . . 4046 1 697 . 1 1 99 99 PHE CA C 13 56.08 . . 1 . . . . . . . . 4046 1 698 . 1 1 99 99 PHE CB C 13 45.54 . . 1 . . . . . . . . 4046 1 699 . 1 1 99 99 PHE N N 15 120.84 . . 1 . . . . . . . . 4046 1 700 . 1 1 100 100 SER H H 1 8.86 . . 1 . . . . . . . . 4046 1 701 . 1 1 100 100 SER HA H 1 5.61 . . 1 . . . . . . . . 4046 1 702 . 1 1 100 100 SER HB2 H 1 3.97 . . 2 . . . . . . . . 4046 1 703 . 1 1 100 100 SER HB3 H 1 3.63 . . 2 . . . . . . . . 4046 1 704 . 1 1 100 100 SER C C 13 173.21 . . 1 . . . . . . . . 4046 1 705 . 1 1 100 100 SER CA C 13 56.28 . . 1 . . . . . . . . 4046 1 706 . 1 1 100 100 SER CB C 13 67.65 . . 1 . . . . . . . . 4046 1 707 . 1 1 100 100 SER N N 15 110.11 . . 1 . . . . . . . . 4046 1 708 . 1 1 101 101 HIS H H 1 10.12 . . 1 . . . . . . . . 4046 1 709 . 1 1 101 101 HIS HA H 1 4.65 . . 1 . . . . . . . . 4046 1 710 . 1 1 101 101 HIS CA C 13 55.87 . . 1 . . . . . . . . 4046 1 711 . 1 1 101 101 HIS CB C 13 35.31 . . 1 . . . . . . . . 4046 1 712 . 1 1 101 101 HIS N N 15 126.69 . . 1 . . . . . . . . 4046 1 713 . 1 1 102 102 PRO HA H 1 4.21 . . 1 . . . . . . . . 4046 1 714 . 1 1 102 102 PRO C C 13 176.95 . . 1 . . . . . . . . 4046 1 715 . 1 1 102 102 PRO CA C 13 65.07 . . 1 . . . . . . . . 4046 1 716 . 1 1 102 102 PRO CB C 13 32.04 . . 1 . . . . . . . . 4046 1 717 . 1 1 103 103 PHE H H 1 11.10 . . 1 . . . . . . . . 4046 1 718 . 1 1 103 103 PHE HA H 1 5.06 . . 1 . . . . . . . . 4046 1 719 . 1 1 103 103 PHE HB2 H 1 2.69 . . 1 . . . . . . . . 4046 1 720 . 1 1 103 103 PHE HB3 H 1 2.69 . . 1 . . . . . . . . 4046 1 721 . 1 1 103 103 PHE C C 13 173.73 . . 1 . . . . . . . . 4046 1 722 . 1 1 103 103 PHE CA C 13 55.05 . . 1 . . . . . . . . 4046 1 723 . 1 1 103 103 PHE CB C 13 38.48 . . 1 . . . . . . . . 4046 1 724 . 1 1 103 103 PHE N N 15 117.85 . . 1 . . . . . . . . 4046 1 725 . 1 1 104 104 PHE H H 1 8.16 . . 1 . . . . . . . . 4046 1 726 . 1 1 104 104 PHE HA H 1 5.05 . . 1 . . . . . . . . 4046 1 727 . 1 1 104 104 PHE C C 13 172.89 . . 1 . . . . . . . . 4046 1 728 . 1 1 104 104 PHE CA C 13 57.19 . . 1 . . . . . . . . 4046 1 729 . 1 1 104 104 PHE CB C 13 42.89 . . 1 . . . . . . . . 4046 1 730 . 1 1 104 104 PHE N N 15 124.88 . . 1 . . . . . . . . 4046 1 731 . 1 1 105 105 LYS H H 1 9.55 . . 1 . . . . . . . . 4046 1 732 . 1 1 105 105 LYS HA H 1 4.90 . . 1 . . . . . . . . 4046 1 733 . 1 1 105 105 LYS CA C 13 54.81 . . 1 . . . . . . . . 4046 1 734 . 1 1 105 105 LYS CB C 13 37.86 . . 1 . . . . . . . . 4046 1 735 . 1 1 105 105 LYS N N 15 122.72 . . 1 . . . . . . . . 4046 1 736 . 1 1 109 109 PRO HA H 1 3.27 . . 1 . . . . . . . . 4046 1 737 . 1 1 109 109 PRO C C 13 176.66 . . 1 . . . . . . . . 4046 1 738 . 1 1 109 109 PRO CA C 13 64.61 . . 1 . . . . . . . . 4046 1 739 . 1 1 109 109 PRO CB C 13 29.68 . . 1 . . . . . . . . 4046 1 740 . 1 1 110 110 PHE H H 1 6.61 . . 1 . . . . . . . . 4046 1 741 . 1 1 110 110 PHE HA H 1 4.43 . . 1 . . . . . . . . 4046 1 742 . 1 1 110 110 PHE HB2 H 1 3.28 . . 2 . . . . . . . . 4046 1 743 . 1 1 110 110 PHE HB3 H 1 3.09 . . 2 . . . . . . . . 4046 1 744 . 1 1 110 110 PHE C C 13 176.65 . . 1 . . . . . . . . 4046 1 745 . 1 1 110 110 PHE CA C 13 57.19 . . 1 . . . . . . . . 4046 1 746 . 1 1 110 110 PHE CB C 13 37.43 . . 1 . . . . . . . . 4046 1 747 . 1 1 110 110 PHE N N 15 114.34 . . 1 . . . . . . . . 4046 1 748 . 1 1 111 111 LEU H H 1 6.83 . . 1 . . . . . . . . 4046 1 749 . 1 1 111 111 LEU HA H 1 4.25 . . 1 . . . . . . . . 4046 1 750 . 1 1 111 111 LEU HB2 H 1 1.61 . . 1 . . . . . . . . 4046 1 751 . 1 1 111 111 LEU HB3 H 1 1.61 . . 1 . . . . . . . . 4046 1 752 . 1 1 111 111 LEU C C 13 177.65 . . 1 . . . . . . . . 4046 1 753 . 1 1 111 111 LEU CA C 13 55.66 . . 1 . . . . . . . . 4046 1 754 . 1 1 111 111 LEU CB C 13 42.74 . . 1 . . . . . . . . 4046 1 755 . 1 1 111 111 LEU N N 15 119.37 . . 1 . . . . . . . . 4046 1 756 . 1 1 112 112 LEU H H 1 7.25 . . 1 . . . . . . . . 4046 1 757 . 1 1 112 112 LEU HA H 1 4.01 . . 1 . . . . . . . . 4046 1 758 . 1 1 112 112 LEU HB2 H 1 1.78 . . 1 . . . . . . . . 4046 1 759 . 1 1 112 112 LEU HB3 H 1 1.78 . . 1 . . . . . . . . 4046 1 760 . 1 1 112 112 LEU C C 13 178.55 . . 1 . . . . . . . . 4046 1 761 . 1 1 112 112 LEU CA C 13 57.84 . . 1 . . . . . . . . 4046 1 762 . 1 1 112 112 LEU CB C 13 43.26 . . 1 . . . . . . . . 4046 1 763 . 1 1 112 112 LEU N N 15 116.23 . . 1 . . . . . . . . 4046 1 764 . 1 1 113 113 ASP H H 1 7.69 . . 1 . . . . . . . . 4046 1 765 . 1 1 113 113 ASP HA H 1 4.27 . . 1 . . . . . . . . 4046 1 766 . 1 1 113 113 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 4046 1 767 . 1 1 113 113 ASP HB3 H 1 2.50 . . 2 . . . . . . . . 4046 1 768 . 1 1 113 113 ASP C C 13 176.58 . . 1 . . . . . . . . 4046 1 769 . 1 1 113 113 ASP CA C 13 55.63 . . 1 . . . . . . . . 4046 1 770 . 1 1 113 113 ASP CB C 13 40.27 . . 1 . . . . . . . . 4046 1 771 . 1 1 113 113 ASP N N 15 114.68 . . 1 . . . . . . . . 4046 1 772 . 1 1 114 114 GLN H H 1 7.88 . . 1 . . . . . . . . 4046 1 773 . 1 1 114 114 GLN HA H 1 4.10 . . 1 . . . . . . . . 4046 1 774 . 1 1 114 114 GLN HB2 H 1 1.70 . . 2 . . . . . . . . 4046 1 775 . 1 1 114 114 GLN HB3 H 1 1.45 . . 2 . . . . . . . . 4046 1 776 . 1 1 114 114 GLN C C 13 176.24 . . 1 . . . . . . . . 4046 1 777 . 1 1 114 114 GLN CA C 13 55.50 . . 1 . . . . . . . . 4046 1 778 . 1 1 114 114 GLN CB C 13 29.17 . . 1 . . . . . . . . 4046 1 779 . 1 1 114 114 GLN N N 15 115.38 . . 1 . . . . . . . . 4046 1 780 . 1 1 115 115 ILE H H 1 7.42 . . 1 . . . . . . . . 4046 1 781 . 1 1 115 115 ILE HA H 1 3.94 . . 1 . . . . . . . . 4046 1 782 . 1 1 115 115 ILE HB H 1 1.93 . . 1 . . . . . . . . 4046 1 783 . 1 1 115 115 ILE C C 13 174.78 . . 1 . . . . . . . . 4046 1 784 . 1 1 115 115 ILE CA C 13 63.82 . . 1 . . . . . . . . 4046 1 785 . 1 1 115 115 ILE CB C 13 36.57 . . 1 . . . . . . . . 4046 1 786 . 1 1 115 115 ILE N N 15 120.49 . . 1 . . . . . . . . 4046 1 787 . 1 1 116 116 LYS H H 1 8.29 . . 1 . . . . . . . . 4046 1 788 . 1 1 116 116 LYS HA H 1 4.80 . . 1 . . . . . . . . 4046 1 789 . 1 1 116 116 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 4046 1 790 . 1 1 116 116 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 4046 1 791 . 1 1 116 116 LYS C C 13 176.06 . . 1 . . . . . . . . 4046 1 792 . 1 1 116 116 LYS CA C 13 54.37 . . 1 . . . . . . . . 4046 1 793 . 1 1 116 116 LYS CB C 13 34.96 . . 1 . . . . . . . . 4046 1 794 . 1 1 116 116 LYS N N 15 126.06 . . 1 . . . . . . . . 4046 1 795 . 1 1 117 117 ARG H H 1 8.52 . . 1 . . . . . . . . 4046 1 796 . 1 1 117 117 ARG HA H 1 4.18 . . 1 . . . . . . . . 4046 1 797 . 1 1 117 117 ARG HB2 H 1 1.59 . . 1 . . . . . . . . 4046 1 798 . 1 1 117 117 ARG HB3 H 1 1.59 . . 1 . . . . . . . . 4046 1 799 . 1 1 117 117 ARG C C 13 176.53 . . 1 . . . . . . . . 4046 1 800 . 1 1 117 117 ARG CA C 13 56.21 . . 1 . . . . . . . . 4046 1 801 . 1 1 117 117 ARG CB C 13 31.10 . . 1 . . . . . . . . 4046 1 802 . 1 1 117 117 ARG N N 15 121.03 . . 1 . . . . . . . . 4046 1 803 . 1 1 118 118 LYS H H 1 8.46 . . 1 . . . . . . . . 4046 1 804 . 1 1 118 118 LYS HA H 1 4.31 . . 1 . . . . . . . . 4046 1 805 . 1 1 118 118 LYS HB2 H 1 1.79 . . 1 . . . . . . . . 4046 1 806 . 1 1 118 118 LYS HB3 H 1 1.79 . . 1 . . . . . . . . 4046 1 807 . 1 1 118 118 LYS C C 13 176.16 . . 1 . . . . . . . . 4046 1 808 . 1 1 118 118 LYS CA C 13 56.51 . . 1 . . . . . . . . 4046 1 809 . 1 1 118 118 LYS CB C 13 33.22 . . 1 . . . . . . . . 4046 1 810 . 1 1 118 118 LYS N N 15 124.77 . . 1 . . . . . . . . 4046 1 811 . 1 1 119 119 ILE H H 1 8.19 . . 1 . . . . . . . . 4046 1 812 . 1 1 119 119 ILE HA H 1 4.21 . . 1 . . . . . . . . 4046 1 813 . 1 1 119 119 ILE HB H 1 1.86 . . 1 . . . . . . . . 4046 1 814 . 1 1 119 119 ILE C C 13 176.12 . . 1 . . . . . . . . 4046 1 815 . 1 1 119 119 ILE CA C 13 60.90 . . 1 . . . . . . . . 4046 1 816 . 1 1 119 119 ILE CB C 13 38.99 . . 1 . . . . . . . . 4046 1 817 . 1 1 119 119 ILE N N 15 122.34 . . 1 . . . . . . . . 4046 1 818 . 1 1 120 120 SER H H 1 8.39 . . 1 . . . . . . . . 4046 1 819 . 1 1 120 120 SER HA H 1 4.49 . . 1 . . . . . . . . 4046 1 820 . 1 1 120 120 SER HB2 H 1 3.84 . . 1 . . . . . . . . 4046 1 821 . 1 1 120 120 SER HB3 H 1 3.84 . . 1 . . . . . . . . 4046 1 822 . 1 1 120 120 SER C C 13 174.11 . . 1 . . . . . . . . 4046 1 823 . 1 1 120 120 SER CA C 13 58.04 . . 1 . . . . . . . . 4046 1 824 . 1 1 120 120 SER CB C 13 64.11 . . 1 . . . . . . . . 4046 1 825 . 1 1 120 120 SER N N 15 119.72 . . 1 . . . . . . . . 4046 1 826 . 1 1 121 121 ASN H H 1 8.53 . . 1 . . . . . . . . 4046 1 827 . 1 1 121 121 ASN HA H 1 4.74 . . 1 . . . . . . . . 4046 1 828 . 1 1 121 121 ASN HB2 H 1 2.81 . . 1 . . . . . . . . 4046 1 829 . 1 1 121 121 ASN HB3 H 1 2.81 . . 1 . . . . . . . . 4046 1 830 . 1 1 121 121 ASN C C 13 174.89 . . 1 . . . . . . . . 4046 1 831 . 1 1 121 121 ASN CA C 13 53.25 . . 1 . . . . . . . . 4046 1 832 . 1 1 121 121 ASN CB C 13 38.98 . . 1 . . . . . . . . 4046 1 833 . 1 1 121 121 ASN N N 15 121.01 . . 1 . . . . . . . . 4046 1 834 . 1 1 122 122 ASN H H 1 8.40 . . 1 . . . . . . . . 4046 1 835 . 1 1 122 122 ASN HA H 1 4.69 . . 1 . . . . . . . . 4046 1 836 . 1 1 122 122 ASN HB2 H 1 2.80 . . 1 . . . . . . . . 4046 1 837 . 1 1 122 122 ASN HB3 H 1 2.80 . . 1 . . . . . . . . 4046 1 838 . 1 1 122 122 ASN C C 13 175.36 . . 1 . . . . . . . . 4046 1 839 . 1 1 122 122 ASN CA C 13 53.41 . . 1 . . . . . . . . 4046 1 840 . 1 1 122 122 ASN CB C 13 38.92 . . 1 . . . . . . . . 4046 1 841 . 1 1 122 122 ASN N N 15 118.88 . . 1 . . . . . . . . 4046 1 842 . 1 1 123 123 LYS H H 1 8.38 . . 1 . . . . . . . . 4046 1 843 . 1 1 123 123 LYS HA H 1 4.30 . . 1 . . . . . . . . 4046 1 844 . 1 1 123 123 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 4046 1 845 . 1 1 123 123 LYS HB3 H 1 1.79 . . 2 . . . . . . . . 4046 1 846 . 1 1 123 123 LYS C C 13 176.48 . . 1 . . . . . . . . 4046 1 847 . 1 1 123 123 LYS CA C 13 56.71 . . 1 . . . . . . . . 4046 1 848 . 1 1 123 123 LYS CB C 13 32.76 . . 1 . . . . . . . . 4046 1 849 . 1 1 123 123 LYS N N 15 121.58 . . 1 . . . . . . . . 4046 1 850 . 1 1 124 124 ASN H H 1 8.44 . . 1 . . . . . . . . 4046 1 851 . 1 1 124 124 ASN HA H 1 4.71 . . 1 . . . . . . . . 4046 1 852 . 1 1 124 124 ASN HB2 H 1 2.84 . . 2 . . . . . . . . 4046 1 853 . 1 1 124 124 ASN HB3 H 1 2.80 . . 2 . . . . . . . . 4046 1 854 . 1 1 124 124 ASN C C 13 175.73 . . 1 . . . . . . . . 4046 1 855 . 1 1 124 124 ASN CA C 13 53.49 . . 1 . . . . . . . . 4046 1 856 . 1 1 124 124 ASN CB C 13 39.08 . . 1 . . . . . . . . 4046 1 857 . 1 1 124 124 ASN N N 15 118.91 . . 1 . . . . . . . . 4046 1 858 . 1 1 125 125 GLY H H 1 8.30 . . 1 . . . . . . . . 4046 1 859 . 1 1 125 125 GLY HA2 H 1 3.96 . . 1 . . . . . . . . 4046 1 860 . 1 1 125 125 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 4046 1 861 . 1 1 125 125 GLY C C 13 173.97 . . 1 . . . . . . . . 4046 1 862 . 1 1 125 125 GLY CA C 13 45.60 . . 1 . . . . . . . . 4046 1 863 . 1 1 125 125 GLY N N 15 109.01 . . 1 . . . . . . . . 4046 1 864 . 1 1 126 126 ASP H H 1 8.21 . . 1 . . . . . . . . 4046 1 865 . 1 1 126 126 ASP HA H 1 4.62 . . 1 . . . . . . . . 4046 1 866 . 1 1 126 126 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4046 1 867 . 1 1 126 126 ASP HB3 H 1 2.66 . . 1 . . . . . . . . 4046 1 868 . 1 1 126 126 ASP C C 13 176.15 . . 1 . . . . . . . . 4046 1 869 . 1 1 126 126 ASP CA C 13 54.40 . . 1 . . . . . . . . 4046 1 870 . 1 1 126 126 ASP CB C 13 41.34 . . 1 . . . . . . . . 4046 1 871 . 1 1 126 126 ASP N N 15 120.01 . . 1 . . . . . . . . 4046 1 872 . 1 1 127 127 ASP H H 1 8.32 . . 1 . . . . . . . . 4046 1 873 . 1 1 127 127 ASP HA H 1 4.57 . . 1 . . . . . . . . 4046 1 874 . 1 1 127 127 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 4046 1 875 . 1 1 127 127 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 4046 1 876 . 1 1 127 127 ASP C C 13 176.67 . . 1 . . . . . . . . 4046 1 877 . 1 1 127 127 ASP CA C 13 54.53 . . 1 . . . . . . . . 4046 1 878 . 1 1 127 127 ASP CB C 13 41.08 . . 1 . . . . . . . . 4046 1 879 . 1 1 127 127 ASP N N 15 120.29 . . 1 . . . . . . . . 4046 1 880 . 1 1 128 128 LYS H H 1 8.29 . . 1 . . . . . . . . 4046 1 881 . 1 1 128 128 LYS HA H 1 4.28 . . 1 . . . . . . . . 4046 1 882 . 1 1 128 128 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 4046 1 883 . 1 1 128 128 LYS HB3 H 1 1.82 . . 2 . . . . . . . . 4046 1 884 . 1 1 128 128 LYS C C 13 177.38 . . 1 . . . . . . . . 4046 1 885 . 1 1 128 128 LYS CA C 13 56.66 . . 1 . . . . . . . . 4046 1 886 . 1 1 128 128 LYS CB C 13 32.55 . . 1 . . . . . . . . 4046 1 887 . 1 1 128 128 LYS N N 15 120.80 . . 1 . . . . . . . . 4046 1 888 . 1 1 129 129 GLY H H 1 8.41 . . 1 . . . . . . . . 4046 1 889 . 1 1 129 129 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 4046 1 890 . 1 1 129 129 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 4046 1 891 . 1 1 129 129 GLY C C 13 174.17 . . 1 . . . . . . . . 4046 1 892 . 1 1 129 129 GLY CA C 13 45.56 . . 1 . . . . . . . . 4046 1 893 . 1 1 129 129 GLY N N 15 108.94 . . 1 . . . . . . . . 4046 1 894 . 1 1 130 130 VAL H H 1 7.85 . . 1 . . . . . . . . 4046 1 895 . 1 1 130 130 VAL HA H 1 4.09 . . 1 . . . . . . . . 4046 1 896 . 1 1 130 130 VAL HB H 1 2.08 . . 1 . . . . . . . . 4046 1 897 . 1 1 130 130 VAL C C 13 176.08 . . 1 . . . . . . . . 4046 1 898 . 1 1 130 130 VAL CA C 13 62.32 . . 1 . . . . . . . . 4046 1 899 . 1 1 130 130 VAL CB C 13 32.73 . . 1 . . . . . . . . 4046 1 900 . 1 1 130 130 VAL N N 15 118.67 . . 1 . . . . . . . . 4046 1 901 . 1 1 131 131 LEU H H 1 8.26 . . 1 . . . . . . . . 4046 1 902 . 1 1 131 131 LEU HA H 1 4.35 . . 1 . . . . . . . . 4046 1 903 . 1 1 131 131 LEU HB2 H 1 1.58 . . 1 . . . . . . . . 4046 1 904 . 1 1 131 131 LEU HB3 H 1 1.58 . . 1 . . . . . . . . 4046 1 905 . 1 1 131 131 LEU C C 13 176.82 . . 1 . . . . . . . . 4046 1 906 . 1 1 131 131 LEU CA C 13 55.06 . . 1 . . . . . . . . 4046 1 907 . 1 1 131 131 LEU CB C 13 42.33 . . 1 . . . . . . . . 4046 1 908 . 1 1 131 131 LEU N N 15 125.59 . . 1 . . . . . . . . 4046 1 909 . 1 1 132 132 LYS H H 1 8.25 . . 1 . . . . . . . . 4046 1 910 . 1 1 132 132 LYS HA H 1 4.61 . . 1 . . . . . . . . 4046 1 911 . 1 1 132 132 LYS HB2 H 1 1.81 . . 2 . . . . . . . . 4046 1 912 . 1 1 132 132 LYS HB3 H 1 1.72 . . 2 . . . . . . . . 4046 1 913 . 1 1 132 132 LYS CA C 13 54.02 . . 1 . . . . . . . . 4046 1 914 . 1 1 132 132 LYS CB C 13 32.71 . . 1 . . . . . . . . 4046 1 915 . 1 1 132 132 LYS N N 15 123.64 . . 1 . . . . . . . . 4046 1 916 . 1 1 133 133 PRO HA H 1 4.39 . . 1 . . . . . . . . 4046 1 917 . 1 1 133 133 PRO HB2 H 1 2.29 . . 2 . . . . . . . . 4046 1 918 . 1 1 133 133 PRO HB3 H 1 1.91 . . 2 . . . . . . . . 4046 1 919 . 1 1 133 133 PRO C C 13 176.58 . . 1 . . . . . . . . 4046 1 920 . 1 1 133 133 PRO CA C 13 63.08 . . 1 . . . . . . . . 4046 1 921 . 1 1 133 133 PRO CB C 13 32.18 . . 1 . . . . . . . . 4046 1 922 . 1 1 134 134 ALA H H 1 8.35 . . 1 . . . . . . . . 4046 1 923 . 1 1 134 134 ALA HA H 1 4.28 . . 1 . . . . . . . . 4046 1 924 . 1 1 134 134 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4046 1 925 . 1 1 134 134 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4046 1 926 . 1 1 134 134 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4046 1 927 . 1 1 134 134 ALA C C 13 177.33 . . 1 . . . . . . . . 4046 1 928 . 1 1 134 134 ALA CA C 13 52.44 . . 1 . . . . . . . . 4046 1 929 . 1 1 134 134 ALA CB C 13 19.42 . . 1 . . . . . . . . 4046 1 930 . 1 1 134 134 ALA N N 15 124.24 . . 1 . . . . . . . . 4046 1 931 . 1 1 135 135 ALA H H 1 8.23 . . 1 . . . . . . . . 4046 1 932 . 1 1 135 135 ALA HA H 1 4.33 . . 1 . . . . . . . . 4046 1 933 . 1 1 135 135 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 4046 1 934 . 1 1 135 135 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 4046 1 935 . 1 1 135 135 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 4046 1 936 . 1 1 135 135 ALA C C 13 176.62 . . 1 . . . . . . . . 4046 1 937 . 1 1 135 135 ALA CA C 13 52.39 . . 1 . . . . . . . . 4046 1 938 . 1 1 135 135 ALA CB C 13 19.53 . . 1 . . . . . . . . 4046 1 939 . 1 1 135 135 ALA N N 15 123.39 . . 1 . . . . . . . . 4046 1 940 . 1 1 136 136 GLU H H 1 7.88 . . 1 . . . . . . . . 4046 1 941 . 1 1 136 136 GLU HA H 1 4.12 . . 1 . . . . . . . . 4046 1 942 . 1 1 136 136 GLU HB2 H 1 1.87 . . 1 . . . . . . . . 4046 1 943 . 1 1 136 136 GLU HB3 H 1 1.87 . . 1 . . . . . . . . 4046 1 944 . 1 1 136 136 GLU CA C 13 57.97 . . 1 . . . . . . . . 4046 1 945 . 1 1 136 136 GLU CB C 13 31.39 . . 1 . . . . . . . . 4046 1 946 . 1 1 136 136 GLU N N 15 124.81 . . 1 . . . . . . . . 4046 1 stop_ save_