data_4205 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4205 _Entry.Title ; Structure of the Ets-1 Pointed Domain and Mitogen-activiated Protein Kinase Phosphorylation Site. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-09-22 _Entry.Accession_date 1998-09-22 _Entry.Last_release_date 1999-12-22 _Entry.Original_release_date 1999-12-22 _Entry.Origination author _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 C. Slupsky . M. . 4205 2 L. Gentile . N. . 4205 3 L. Donaldson . W. . 4205 4 C. Mackereth . D. . 4205 5 J. Seidel . J. . 4205 6 B. Graves . J. . 4205 7 L. Mcintosh . P. . 4205 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4205 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 485 4205 '15N chemical shifts' 116 4205 '1H chemical shifts' 769 4205 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 . . 1999-12-22 1998-09-22 original author . 4205 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4205 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98445336 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Slupsky, C.M., Gentile, L.N., Donaldson, L.W., Mackereth, C.D., Seidel, J.J., Graves, B.J., and McIntosh, L.P., "Structure of the Ets-1 Pointed Domain and Mitogen-activiated Protein Kinase Phosphorylation Site," Proc. Natl. Acad. Sci. U.S.A. 95, 12129-12134 (1998). ; _Citation.Title ; Structure of the Ets-1 Pointed Domain and Mitogen-activiated Protein Kinase Phosphorylation Site. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences USA' _Citation.Journal_volume 95 _Citation.Journal_issue . _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 12129 _Citation.Page_last 12134 _Citation.Year 1998 _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 C. Slupsky . M. . 4205 1 2 L. Gentile . N. . 4205 1 3 L. Donaldson . W. . 4205 1 4 C. Mackereth . D. . 4205 1 5 J. Seidel . J. . 4205 1 6 B. Graves . J. . 4205 1 7 L. Mcintosh . P. . 4205 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ets-1 transcription factor' 4205 1 'MAP kinase site' 4205 1 phosphorylation 4205 1 'Pointed domain' 4205 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Ets-1_Pointed _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Ets-1_Pointed _Assembly.Entry_ID 4205 _Assembly.ID 1 _Assembly.Name 'Ets-1 Pointed' _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 'fully reduced' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Ets-1 Pointed domain, Ets-1 PNT monomer' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4205 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 'Ets-1 PNT' 1 $Ets-1_PNT . . . native . . . . . 4205 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1BQV . 'Pointed Domain And Map Kinase Phosphorylation Site From Murine Ets-1 Transcription Factor, Nmr, 28 Structures' . . . . 4205 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Ets-1 abbreviation 4205 1 'Ets-1 Pointed' system 4205 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'MAP kinase phosphorylation site' 4205 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ets-1_PNT _Entity.Sf_category entity _Entity.Sf_framecode Ets-1_PNT _Entity.Entry_ID 4205 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ETS-1 Pointed domain' _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 ; MECADVPLLTPSSKEMMSQA LKATFSGFTKEQQRLGIPKD PRQWTETHVRDWVMWAVNEF SLKGVDFQKFCMSGAALCAL GKECFLELAPDFVGDILWEH LEILQKEDVK ; _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 110 _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 12553.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This is a fragment of Ets-1 (corresponding to residues 29-138) containing the Pointed domain and an N-terminal MAP kinase phosphorylation site. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 16426 . "murine Ets-1" . . . . . 100.00 113 98.18 98.18 1.80e-72 . . . . 4205 1 2 no PDB 2JV3 . "Ets-1 Pnt Domain (29-138) Nmr Structure Ensemble" . . . . . 100.00 110 100.00 100.00 3.52e-74 . . . . 4205 1 3 no PDB 2KMD . "Ras Signaling Requires Dynamic Properties Of Ets1 For Phosphorylation- Enhanced Binding To Co-Activator Cbp" . . . . . 100.00 113 98.18 98.18 1.80e-72 . . . . 4205 1 4 no DBJ BAC36266 . "unnamed protein product [Mus musculus]" . . . . . 100.00 440 98.18 98.18 2.30e-70 . . . . 4205 1 5 no DBJ BAE40197 . "unnamed protein product [Mus musculus]" . . . . . 100.00 440 100.00 100.00 7.37e-72 . . . . 4205 1 6 no DBJ BAF84529 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 441 97.27 99.09 3.66e-70 . . . . 4205 1 7 no DBJ BAG62940 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 300 98.18 100.00 4.69e-73 . . . . 4205 1 8 no DBJ BAG72856 . "v-ets erythroblastosis virus E26 oncogene homolog 1 [synthetic construct]" . . . . . 100.00 485 98.18 100.00 1.47e-71 . . . . 4205 1 9 no EMBL CAA32903 . "alternate cets-1b protein [Homo sapiens]" . . . . . 100.00 354 98.18 100.00 1.19e-71 . . . . 4205 1 10 no EMBL CAA32904 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 441 98.18 100.00 4.58e-71 . . . . 4205 1 11 no EMBL CAA37904 . "proto-oncogene [Mus musculus]" . . . . . 100.00 440 100.00 100.00 7.37e-72 . . . . 4205 1 12 no EMBL CAE45783 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 485 98.18 100.00 1.47e-71 . . . . 4205 1 13 no EMBL CAG47050 . "ETS1 [Homo sapiens]" . . . . . 100.00 441 98.18 100.00 2.98e-71 . . . . 4205 1 14 no GB AAA21093 . "proto-oncogene [Rattus norvegicus]" . . . . . 100.00 441 99.09 100.00 1.42e-71 . . . . 4205 1 15 no GB AAA52410 . "ets-1 protein [Homo sapiens]" . . . . . 100.00 441 98.18 100.00 4.58e-71 . . . . 4205 1 16 no GB AAA63299 . "EGF receptor-related protein [Mus musculus domesticus]" . . . . . 100.00 440 99.09 99.09 1.13e-70 . . . . 4205 1 17 no GB AAH10588 . "Ets1 protein [Mus musculus]" . . . . . 100.00 440 100.00 100.00 7.37e-72 . . . . 4205 1 18 no GB AAH13089 . "Ets1 protein, partial [Mus musculus]" . . . . . 82.73 393 100.00 100.00 3.10e-58 . . . . 4205 1 19 no REF NP_001033731 . "protein C-ets-1 isoform 2 [Mus musculus]" . . . . . 100.00 353 100.00 100.00 2.54e-72 . . . . 4205 1 20 no REF NP_001076130 . "protein C-ets-1 [Oryctolagus cuniculus]" . . . . . 100.00 441 97.27 99.09 2.95e-70 . . . . 4205 1 21 no REF NP_001092576 . "protein C-ets-1 [Bos taurus]" . . . . . 100.00 441 97.27 100.00 1.11e-70 . . . . 4205 1 22 no REF NP_001137292 . "protein C-ets-1 isoform 1 [Homo sapiens]" . . . . . 100.00 485 98.18 100.00 1.47e-71 . . . . 4205 1 23 no REF NP_001156358 . "protein C-ets-1 [Sus scrofa]" . . . . . 100.00 485 97.27 100.00 6.55e-70 . . . . 4205 1 24 no SP P14921 . "RecName: Full=Protein C-ets-1; AltName: Full=p54" . . . . . 100.00 441 98.18 100.00 4.58e-71 . . . . 4205 1 25 no SP P27577 . "RecName: Full=Protein C-ets-1; AltName: Full=p54" . . . . . 100.00 440 100.00 100.00 7.37e-72 . . . . 4205 1 26 no SP P41156 . "RecName: Full=Protein C-ets-1; AltName: Full=p54" . . . . . 100.00 441 99.09 100.00 1.42e-71 . . . . 4205 1 27 no TPG DAA13872 . "TPA: v-ets erythroblastosis virus E26 oncogene homolog 1 [Bos taurus]" . . . . . 100.00 441 97.27 100.00 1.11e-70 . . . . 4205 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ets-1 PNT' abbreviation 4205 1 'ETS-1 Pointed domain' common 4205 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4205 1 2 . GLU . 4205 1 3 . CYS . 4205 1 4 . ALA . 4205 1 5 . ASP . 4205 1 6 . VAL . 4205 1 7 . PRO . 4205 1 8 . LEU . 4205 1 9 . LEU . 4205 1 10 . THR . 4205 1 11 . PRO . 4205 1 12 . SER . 4205 1 13 . SER . 4205 1 14 . LYS . 4205 1 15 . GLU . 4205 1 16 . MET . 4205 1 17 . MET . 4205 1 18 . SER . 4205 1 19 . GLN . 4205 1 20 . ALA . 4205 1 21 . LEU . 4205 1 22 . LYS . 4205 1 23 . ALA . 4205 1 24 . THR . 4205 1 25 . PHE . 4205 1 26 . SER . 4205 1 27 . GLY . 4205 1 28 . PHE . 4205 1 29 . THR . 4205 1 30 . LYS . 4205 1 31 . GLU . 4205 1 32 . GLN . 4205 1 33 . GLN . 4205 1 34 . ARG . 4205 1 35 . LEU . 4205 1 36 . GLY . 4205 1 37 . ILE . 4205 1 38 . PRO . 4205 1 39 . LYS . 4205 1 40 . ASP . 4205 1 41 . PRO . 4205 1 42 . ARG . 4205 1 43 . GLN . 4205 1 44 . TRP . 4205 1 45 . THR . 4205 1 46 . GLU . 4205 1 47 . THR . 4205 1 48 . HIS . 4205 1 49 . VAL . 4205 1 50 . ARG . 4205 1 51 . ASP . 4205 1 52 . TRP . 4205 1 53 . VAL . 4205 1 54 . MET . 4205 1 55 . TRP . 4205 1 56 . ALA . 4205 1 57 . VAL . 4205 1 58 . ASN . 4205 1 59 . GLU . 4205 1 60 . PHE . 4205 1 61 . SER . 4205 1 62 . LEU . 4205 1 63 . LYS . 4205 1 64 . GLY . 4205 1 65 . VAL . 4205 1 66 . ASP . 4205 1 67 . PHE . 4205 1 68 . GLN . 4205 1 69 . LYS . 4205 1 70 . PHE . 4205 1 71 . CYS . 4205 1 72 . MET . 4205 1 73 . SER . 4205 1 74 . GLY . 4205 1 75 . ALA . 4205 1 76 . ALA . 4205 1 77 . LEU . 4205 1 78 . CYS . 4205 1 79 . ALA . 4205 1 80 . LEU . 4205 1 81 . GLY . 4205 1 82 . LYS . 4205 1 83 . GLU . 4205 1 84 . CYS . 4205 1 85 . PHE . 4205 1 86 . LEU . 4205 1 87 . GLU . 4205 1 88 . LEU . 4205 1 89 . ALA . 4205 1 90 . PRO . 4205 1 91 . ASP . 4205 1 92 . PHE . 4205 1 93 . VAL . 4205 1 94 . GLY . 4205 1 95 . ASP . 4205 1 96 . ILE . 4205 1 97 . LEU . 4205 1 98 . TRP . 4205 1 99 . GLU . 4205 1 100 . HIS . 4205 1 101 . LEU . 4205 1 102 . GLU . 4205 1 103 . ILE . 4205 1 104 . LEU . 4205 1 105 . GLN . 4205 1 106 . LYS . 4205 1 107 . GLU . 4205 1 108 . ASP . 4205 1 109 . VAL . 4205 1 110 . LYS . 4205 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4205 1 . GLU 2 2 4205 1 . CYS 3 3 4205 1 . ALA 4 4 4205 1 . ASP 5 5 4205 1 . VAL 6 6 4205 1 . PRO 7 7 4205 1 . LEU 8 8 4205 1 . LEU 9 9 4205 1 . THR 10 10 4205 1 . PRO 11 11 4205 1 . SER 12 12 4205 1 . SER 13 13 4205 1 . LYS 14 14 4205 1 . GLU 15 15 4205 1 . MET 16 16 4205 1 . MET 17 17 4205 1 . SER 18 18 4205 1 . GLN 19 19 4205 1 . ALA 20 20 4205 1 . LEU 21 21 4205 1 . LYS 22 22 4205 1 . ALA 23 23 4205 1 . THR 24 24 4205 1 . PHE 25 25 4205 1 . SER 26 26 4205 1 . GLY 27 27 4205 1 . PHE 28 28 4205 1 . THR 29 29 4205 1 . LYS 30 30 4205 1 . GLU 31 31 4205 1 . GLN 32 32 4205 1 . GLN 33 33 4205 1 . ARG 34 34 4205 1 . LEU 35 35 4205 1 . GLY 36 36 4205 1 . ILE 37 37 4205 1 . PRO 38 38 4205 1 . LYS 39 39 4205 1 . ASP 40 40 4205 1 . PRO 41 41 4205 1 . ARG 42 42 4205 1 . GLN 43 43 4205 1 . TRP 44 44 4205 1 . THR 45 45 4205 1 . GLU 46 46 4205 1 . THR 47 47 4205 1 . HIS 48 48 4205 1 . VAL 49 49 4205 1 . ARG 50 50 4205 1 . ASP 51 51 4205 1 . TRP 52 52 4205 1 . VAL 53 53 4205 1 . MET 54 54 4205 1 . TRP 55 55 4205 1 . ALA 56 56 4205 1 . VAL 57 57 4205 1 . ASN 58 58 4205 1 . GLU 59 59 4205 1 . PHE 60 60 4205 1 . SER 61 61 4205 1 . LEU 62 62 4205 1 . LYS 63 63 4205 1 . GLY 64 64 4205 1 . VAL 65 65 4205 1 . ASP 66 66 4205 1 . PHE 67 67 4205 1 . GLN 68 68 4205 1 . LYS 69 69 4205 1 . PHE 70 70 4205 1 . CYS 71 71 4205 1 . MET 72 72 4205 1 . SER 73 73 4205 1 . GLY 74 74 4205 1 . ALA 75 75 4205 1 . ALA 76 76 4205 1 . LEU 77 77 4205 1 . CYS 78 78 4205 1 . ALA 79 79 4205 1 . LEU 80 80 4205 1 . GLY 81 81 4205 1 . LYS 82 82 4205 1 . GLU 83 83 4205 1 . CYS 84 84 4205 1 . PHE 85 85 4205 1 . LEU 86 86 4205 1 . GLU 87 87 4205 1 . LEU 88 88 4205 1 . ALA 89 89 4205 1 . PRO 90 90 4205 1 . ASP 91 91 4205 1 . PHE 92 92 4205 1 . VAL 93 93 4205 1 . GLY 94 94 4205 1 . ASP 95 95 4205 1 . ILE 96 96 4205 1 . LEU 97 97 4205 1 . TRP 98 98 4205 1 . GLU 99 99 4205 1 . HIS 100 100 4205 1 . LEU 101 101 4205 1 . GLU 102 102 4205 1 . ILE 103 103 4205 1 . LEU 104 104 4205 1 . GLN 105 105 4205 1 . LYS 106 106 4205 1 . GLU 107 107 4205 1 . ASP 108 108 4205 1 . VAL 109 109 4205 1 . LYS 110 110 4205 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 4205 _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 $Ets-1_PNT . 10090 . . 'Mus musculus' 'House Mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . B-lymphocyte . . . . nucleus . . . ets-1 . . . . 4205 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 4205 _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 $Ets-1_PNT . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . . . . . . . . 4205 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4205 _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 'ETS-1 Pointed domain' '[U-99% 15N; U-99% 13C]' . . 1 $Ets-1_PNT . . . 1.2 . mM . . . . 4205 1 2 KPO4 . . . . . . . 10 . . mM . . . . 4205 1 3 KCl . . . . . . . 10 . . mM . . . . 4205 1 4 DTT . . . . . . . 10 . . mM . . . . 4205 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4205 _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' 20 . mM 4205 1 pH* 6.5 0.2 n/a 4205 1 pressure 1.0 . atm 4205 1 temperature 303 2 K 4205 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 4205 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4205 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4205 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4205 _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 NMR_spectrometer VARIAN UNITY . 500 . . . 4205 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 4205 _Experiment_list.ID 1 _Experiment_list.Details ; Spectra were recorded using protein samples labelled with U-15N, U-15N/13C, 10% 13C (random fractional) and selectively deuterated aromatic amino acids. ; 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 15N-HSQC . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 2 13C-HSQC . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 3 HNCACB . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 4 HNHB . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 5 CBCA(CO)NNH . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 6 H(CCO)NH . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 7 C(CO)NH . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 8 15N-EDITED-NOESY . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 9 13C-EDITED-NOESY . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 10 2D-NOESY . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 11 '15N-EDITED TOCSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 12 HCCHTOCSY . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 13 HMBC . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 14 2D-COSY . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 15 HMQC-J . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 16 HNHA . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 17 "LONG RANGE 13Cg-15N and -13C' SPIN ECHO" . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4205 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 15N-EDITED-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 13C-EDITED-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 2D-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '15N-EDITED TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HMBC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 2D-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HMQC-J _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 4205 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name "LONG RANGE 13Cg-15N and -13C' SPIN ECHO" _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref _Chem_shift_reference.Entry_ID 4205 _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 carbons' . . . . ppm 0.00 . direct . external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4205 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct . external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4205 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4205 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4205 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref _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_1 . 4205 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 2 2 GLU HA H 1 4.36 0.03 . 1 . . . . . . . . 4205 1 2 . 1 1 2 2 GLU HB2 H 1 2.06 0.03 . 2 . . . . . . . . 4205 1 3 . 1 1 2 2 GLU HB3 H 1 1.94 0.03 . 2 . . . . . . . . 4205 1 4 . 1 1 2 2 GLU HG2 H 1 2.27 0.03 . 1 . . . . . . . . 4205 1 5 . 1 1 2 2 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 4205 1 6 . 1 1 2 2 GLU CA C 13 56.42 0.50 . 1 . . . . . . . . 4205 1 7 . 1 1 2 2 GLU CB C 13 30.31 0.50 . 1 . . . . . . . . 4205 1 8 . 1 1 2 2 GLU CG C 13 36.25 0.50 . 1 . . . . . . . . 4205 1 9 . 1 1 3 3 CYS H H 1 8.56 0.03 . 1 . . . . . . . . 4205 1 10 . 1 1 3 3 CYS HA H 1 4.46 0.03 . 1 . . . . . . . . 4205 1 11 . 1 1 3 3 CYS HB2 H 1 2.92 0.03 . 1 . . . . . . . . 4205 1 12 . 1 1 3 3 CYS HB3 H 1 2.92 0.03 . 1 . . . . . . . . 4205 1 13 . 1 1 3 3 CYS C C 13 173.76 0.50 . 1 . . . . . . . . 4205 1 14 . 1 1 3 3 CYS CA C 13 58.44 0.50 . 1 . . . . . . . . 4205 1 15 . 1 1 3 3 CYS CB C 13 28.18 0.50 . 1 . . . . . . . . 4205 1 16 . 1 1 3 3 CYS N N 15 120.99 0.25 . 1 . . . . . . . . 4205 1 17 . 1 1 4 4 ALA H H 1 8.46 0.03 . 1 . . . . . . . . 4205 1 18 . 1 1 4 4 ALA HA H 1 4.34 0.03 . 1 . . . . . . . . 4205 1 19 . 1 1 4 4 ALA HB1 H 1 1.38 0.03 . 1 . . . . . . . . 4205 1 20 . 1 1 4 4 ALA HB2 H 1 1.38 0.03 . 1 . . . . . . . . 4205 1 21 . 1 1 4 4 ALA HB3 H 1 1.38 0.03 . 1 . . . . . . . . 4205 1 22 . 1 1 4 4 ALA C C 13 177.07 0.50 . 1 . . . . . . . . 4205 1 23 . 1 1 4 4 ALA CA C 13 52.46 0.50 . 1 . . . . . . . . 4205 1 24 . 1 1 4 4 ALA CB C 13 19.56 0.50 . 1 . . . . . . . . 4205 1 25 . 1 1 4 4 ALA N N 15 126.57 0.25 . 1 . . . . . . . . 4205 1 26 . 1 1 5 5 ASP H H 1 8.23 0.03 . 1 . . . . . . . . 4205 1 27 . 1 1 5 5 ASP HA H 1 4.58 0.03 . 1 . . . . . . . . 4205 1 28 . 1 1 5 5 ASP HB2 H 1 2.67 0.03 . 2 . . . . . . . . 4205 1 29 . 1 1 5 5 ASP HB3 H 1 2.57 0.03 . 2 . . . . . . . . 4205 1 30 . 1 1 5 5 ASP C C 13 175.68 0.50 . 1 . . . . . . . . 4205 1 31 . 1 1 5 5 ASP CA C 13 54.32 0.50 . 1 . . . . . . . . 4205 1 32 . 1 1 5 5 ASP CB C 13 41.17 0.50 . 1 . . . . . . . . 4205 1 33 . 1 1 5 5 ASP N N 15 119.73 0.25 . 1 . . . . . . . . 4205 1 34 . 1 1 6 6 VAL H H 1 7.93 0.03 . 1 . . . . . . . . 4205 1 35 . 1 1 6 6 VAL HA H 1 4.39 0.03 . 1 . . . . . . . . 4205 1 36 . 1 1 6 6 VAL HB H 1 2.08 0.03 . 1 . . . . . . . . 4205 1 37 . 1 1 6 6 VAL HG11 H 1 0.95 0.03 . 1 . . . . . . . . 4205 1 38 . 1 1 6 6 VAL HG12 H 1 0.95 0.03 . 1 . . . . . . . . 4205 1 39 . 1 1 6 6 VAL HG13 H 1 0.95 0.03 . 1 . . . . . . . . 4205 1 40 . 1 1 6 6 VAL HG21 H 1 0.93 0.03 . 1 . . . . . . . . 4205 1 41 . 1 1 6 6 VAL HG22 H 1 0.93 0.03 . 1 . . . . . . . . 4205 1 42 . 1 1 6 6 VAL HG23 H 1 0.93 0.03 . 1 . . . . . . . . 4205 1 43 . 1 1 6 6 VAL CA C 13 59.83 0.50 . 1 . . . . . . . . 4205 1 44 . 1 1 6 6 VAL CB C 13 32.70 0.50 . 1 . . . . . . . . 4205 1 45 . 1 1 6 6 VAL CG1 C 13 21.18 0.50 . 1 . . . . . . . . 4205 1 46 . 1 1 6 6 VAL CG2 C 13 20.36 0.50 . 1 . . . . . . . . 4205 1 47 . 1 1 6 6 VAL N N 15 121.37 0.25 . 1 . . . . . . . . 4205 1 48 . 1 1 7 7 PRO HA H 1 4.39 0.03 . 1 . . . . . . . . 4205 1 49 . 1 1 7 7 PRO HB2 H 1 1.86 0.03 . 2 . . . . . . . . 4205 1 50 . 1 1 7 7 PRO HB3 H 1 2.27 0.03 . 2 . . . . . . . . 4205 1 51 . 1 1 7 7 PRO HG2 H 1 1.99 0.03 . 1 . . . . . . . . 4205 1 52 . 1 1 7 7 PRO HG3 H 1 1.99 0.03 . 1 . . . . . . . . 4205 1 53 . 1 1 7 7 PRO HD2 H 1 3.67 0.03 . 2 . . . . . . . . 4205 1 54 . 1 1 7 7 PRO HD3 H 1 3.81 0.03 . 2 . . . . . . . . 4205 1 55 . 1 1 7 7 PRO C C 13 176.49 0.50 . 1 . . . . . . . . 4205 1 56 . 1 1 7 7 PRO CA C 13 63.00 0.50 . 1 . . . . . . . . 4205 1 57 . 1 1 7 7 PRO CB C 13 32.08 0.50 . 1 . . . . . . . . 4205 1 58 . 1 1 7 7 PRO CG C 13 27.31 0.50 . 1 . . . . . . . . 4205 1 59 . 1 1 7 7 PRO CD C 13 50.85 0.50 . 1 . . . . . . . . 4205 1 60 . 1 1 8 8 LEU H H 1 8.22 0.03 . 1 . . . . . . . . 4205 1 61 . 1 1 8 8 LEU HA H 1 4.31 0.03 . 1 . . . . . . . . 4205 1 62 . 1 1 8 8 LEU HB2 H 1 1.60 0.03 . 1 . . . . . . . . 4205 1 63 . 1 1 8 8 LEU HB3 H 1 1.57 0.03 . 1 . . . . . . . . 4205 1 64 . 1 1 8 8 LEU HG H 1 1.62 0.03 . 1 . . . . . . . . 4205 1 65 . 1 1 8 8 LEU HD11 H 1 0.93 0.03 . 1 . . . . . . . . 4205 1 66 . 1 1 8 8 LEU HD12 H 1 0.93 0.03 . 1 . . . . . . . . 4205 1 67 . 1 1 8 8 LEU HD13 H 1 0.93 0.03 . 1 . . . . . . . . 4205 1 68 . 1 1 8 8 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 69 . 1 1 8 8 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 70 . 1 1 8 8 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 71 . 1 1 8 8 LEU C C 13 177.07 0.50 . 1 . . . . . . . . 4205 1 72 . 1 1 8 8 LEU CA C 13 55.06 0.50 . 1 . . . . . . . . 4205 1 73 . 1 1 8 8 LEU CB C 13 42.43 0.50 . 1 . . . . . . . . 4205 1 74 . 1 1 8 8 LEU CG C 13 27.00 0.50 . 1 . . . . . . . . 4205 1 75 . 1 1 8 8 LEU CD1 C 13 24.74 0.50 . 1 . . . . . . . . 4205 1 76 . 1 1 8 8 LEU CD2 C 13 23.78 0.50 . 1 . . . . . . . . 4205 1 77 . 1 1 8 8 LEU N N 15 122.39 0.25 . 1 . . . . . . . . 4205 1 78 . 1 1 9 9 LEU H H 1 8.20 0.03 . 1 . . . . . . . . 4205 1 79 . 1 1 9 9 LEU HA H 1 3.43 0.03 . 1 . . . . . . . . 4205 1 80 . 1 1 9 9 LEU HB2 H 1 1.59 0.03 . 1 . . . . . . . . 4205 1 81 . 1 1 9 9 LEU HB3 H 1 1.59 0.03 . 1 . . . . . . . . 4205 1 82 . 1 1 9 9 LEU HG H 1 1.78 0.03 . 1 . . . . . . . . 4205 1 83 . 1 1 9 9 LEU HD11 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 84 . 1 1 9 9 LEU HD12 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 85 . 1 1 9 9 LEU HD13 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 86 . 1 1 9 9 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 87 . 1 1 9 9 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 88 . 1 1 9 9 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 89 . 1 1 9 9 LEU C C 13 176.83 0.50 . 1 . . . . . . . . 4205 1 90 . 1 1 9 9 LEU CA C 13 54.84 0.50 . 1 . . . . . . . . 4205 1 91 . 1 1 9 9 LEU CB C 13 42.54 0.50 . 1 . . . . . . . . 4205 1 92 . 1 1 9 9 LEU CG C 13 27.00 0.50 . 1 . . . . . . . . 4205 1 93 . 1 1 9 9 LEU CD1 C 13 24.85 0.50 . 1 . . . . . . . . 4205 1 94 . 1 1 9 9 LEU CD2 C 13 23.68 0.50 . 1 . . . . . . . . 4205 1 95 . 1 1 9 9 LEU N N 15 123.26 0.25 . 1 . . . . . . . . 4205 1 96 . 1 1 10 10 THR H H 1 8.13 0.03 . 1 . . . . . . . . 4205 1 97 . 1 1 10 10 THR HA H 1 4.60 0.03 . 1 . . . . . . . . 4205 1 98 . 1 1 10 10 THR HB H 1 4.22 0.03 . 1 . . . . . . . . 4205 1 99 . 1 1 10 10 THR HG21 H 1 1.23 0.03 . 1 . . . . . . . . 4205 1 100 . 1 1 10 10 THR HG22 H 1 1.23 0.03 . 1 . . . . . . . . 4205 1 101 . 1 1 10 10 THR HG23 H 1 1.23 0.03 . 1 . . . . . . . . 4205 1 102 . 1 1 10 10 THR CA C 13 59.51 0.50 . 1 . . . . . . . . 4205 1 103 . 1 1 10 10 THR CB C 13 69.50 0.50 . 1 . . . . . . . . 4205 1 104 . 1 1 10 10 THR CG2 C 13 21.47 0.50 . 1 . . . . . . . . 4205 1 105 . 1 1 10 10 THR N N 15 117.06 0.25 . 1 . . . . . . . . 4205 1 106 . 1 1 11 11 PRO HA H 1 4.41 0.03 . 1 . . . . . . . . 4205 1 107 . 1 1 11 11 PRO HB2 H 1 1.97 0.03 . 2 . . . . . . . . 4205 1 108 . 1 1 11 11 PRO HB3 H 1 2.32 0.03 . 2 . . . . . . . . 4205 1 109 . 1 1 11 11 PRO HG2 H 1 2.07 0.03 . 1 . . . . . . . . 4205 1 110 . 1 1 11 11 PRO HG3 H 1 2.07 0.03 . 1 . . . . . . . . 4205 1 111 . 1 1 11 11 PRO HD2 H 1 3.73 0.03 . 2 . . . . . . . . 4205 1 112 . 1 1 11 11 PRO HD3 H 1 3.84 0.03 . 2 . . . . . . . . 4205 1 113 . 1 1 11 11 PRO C C 13 176.38 0.50 . 1 . . . . . . . . 4205 1 114 . 1 1 11 11 PRO CA C 13 63.56 0.50 . 1 . . . . . . . . 4205 1 115 . 1 1 11 11 PRO CB C 13 32.20 0.50 . 1 . . . . . . . . 4205 1 116 . 1 1 11 11 PRO CG C 13 27.50 0.50 . 1 . . . . . . . . 4205 1 117 . 1 1 11 11 PRO CD C 13 51.02 0.50 . 1 . . . . . . . . 4205 1 118 . 1 1 13 13 SER HA H 1 4.42 0.03 . 1 . . . . . . . . 4205 1 119 . 1 1 13 13 SER HB2 H 1 3.92 0.03 . 2 . . . . . . . . 4205 1 120 . 1 1 13 13 SER HB3 H 1 4.01 0.03 . 2 . . . . . . . . 4205 1 121 . 1 1 13 13 SER C C 13 175.53 0.50 . 1 . . . . . . . . 4205 1 122 . 1 1 13 13 SER CA C 13 59.13 0.50 . 1 . . . . . . . . 4205 1 123 . 1 1 13 13 SER CB C 13 63.71 0.50 . 1 . . . . . . . . 4205 1 124 . 1 1 14 14 LYS H H 1 8.37 0.03 . 1 . . . . . . . . 4205 1 125 . 1 1 14 14 LYS C C 13 180.14 0.50 . 1 . . . . . . . . 4205 1 126 . 1 1 14 14 LYS CA C 13 57.99 0.50 . 1 . . . . . . . . 4205 1 127 . 1 1 14 14 LYS CB C 13 32.59 0.50 . 1 . . . . . . . . 4205 1 128 . 1 1 14 14 LYS CG C 13 25.00 0.50 . 1 . . . . . . . . 4205 1 129 . 1 1 14 14 LYS N N 15 122.99 0.25 . 1 . . . . . . . . 4205 1 130 . 1 1 15 15 GLU H H 1 8.31 0.03 . 1 . . . . . . . . 4205 1 131 . 1 1 15 15 GLU HA H 1 4.19 0.03 . 1 . . . . . . . . 4205 1 132 . 1 1 15 15 GLU HB2 H 1 1.97 0.03 . 2 . . . . . . . . 4205 1 133 . 1 1 15 15 GLU HB3 H 1 2.03 0.03 . 2 . . . . . . . . 4205 1 134 . 1 1 15 15 GLU HG2 H 1 2.29 0.03 . 1 . . . . . . . . 4205 1 135 . 1 1 15 15 GLU HG3 H 1 2.29 0.03 . 1 . . . . . . . . 4205 1 136 . 1 1 15 15 GLU C C 13 177.75 0.50 . 1 . . . . . . . . 4205 1 137 . 1 1 15 15 GLU CA C 13 58.10 0.50 . 1 . . . . . . . . 4205 1 138 . 1 1 15 15 GLU CB C 13 29.76 0.50 . 1 . . . . . . . . 4205 1 139 . 1 1 15 15 GLU CG C 13 36.44 0.50 . 1 . . . . . . . . 4205 1 140 . 1 1 15 15 GLU N N 15 120.58 0.25 . 1 . . . . . . . . 4205 1 141 . 1 1 16 16 MET H H 1 8.14 0.03 . 1 . . . . . . . . 4205 1 142 . 1 1 16 16 MET HA H 1 4.38 0.03 . 1 . . . . . . . . 4205 1 143 . 1 1 16 16 MET HB2 H 1 2.11 0.03 . 1 . . . . . . . . 4205 1 144 . 1 1 16 16 MET HB3 H 1 2.11 0.03 . 1 . . . . . . . . 4205 1 145 . 1 1 16 16 MET HG2 H 1 2.55 0.03 . 2 . . . . . . . . 4205 1 146 . 1 1 16 16 MET HG3 H 1 2.66 0.03 . 2 . . . . . . . . 4205 1 147 . 1 1 16 16 MET C C 13 177.65 0.50 . 1 . . . . . . . . 4205 1 148 . 1 1 16 16 MET CA C 13 56.77 0.50 . 1 . . . . . . . . 4205 1 149 . 1 1 16 16 MET CB C 13 32.82 0.50 . 1 . . . . . . . . 4205 1 150 . 1 1 16 16 MET CG C 13 32.18 0.50 . 1 . . . . . . . . 4205 1 151 . 1 1 16 16 MET N N 15 119.72 0.25 . 1 . . . . . . . . 4205 1 152 . 1 1 17 17 MET H H 1 8.24 0.03 . 1 . . . . . . . . 4205 1 153 . 1 1 17 17 MET HA H 1 4.37 0.03 . 1 . . . . . . . . 4205 1 154 . 1 1 17 17 MET HB2 H 1 2.13 0.03 . 2 . . . . . . . . 4205 1 155 . 1 1 17 17 MET HB3 H 1 2.28 0.03 . 2 . . . . . . . . 4205 1 156 . 1 1 17 17 MET HG2 H 1 2.55 0.03 . 2 . . . . . . . . 4205 1 157 . 1 1 17 17 MET HG3 H 1 2.63 0.03 . 2 . . . . . . . . 4205 1 158 . 1 1 17 17 MET HE1 H 1 2.10 0.03 . 1 . . . . . . . . 4205 1 159 . 1 1 17 17 MET HE2 H 1 2.10 0.03 . 1 . . . . . . . . 4205 1 160 . 1 1 17 17 MET HE3 H 1 2.10 0.03 . 1 . . . . . . . . 4205 1 161 . 1 1 17 17 MET CA C 13 56.95 0.50 . 1 . . . . . . . . 4205 1 162 . 1 1 17 17 MET CB C 13 32.66 0.50 . 1 . . . . . . . . 4205 1 163 . 1 1 17 17 MET CG C 13 32.18 0.50 . 1 . . . . . . . . 4205 1 164 . 1 1 17 17 MET CE C 13 16.82 0.50 . 1 . . . . . . . . 4205 1 165 . 1 1 17 17 MET N N 15 120.50 0.25 . 1 . . . . . . . . 4205 1 166 . 1 1 18 18 SER H H 1 8.28 0.03 . 1 . . . . . . . . 4205 1 167 . 1 1 18 18 SER HA H 1 4.30 0.03 . 1 . . . . . . . . 4205 1 168 . 1 1 18 18 SER HB2 H 1 3.97 0.03 . 2 . . . . . . . . 4205 1 169 . 1 1 18 18 SER HB3 H 1 4.00 0.03 . 2 . . . . . . . . 4205 1 170 . 1 1 18 18 SER CA C 13 60.26 0.50 . 1 . . . . . . . . 4205 1 171 . 1 1 18 18 SER CB C 13 63.19 0.50 . 1 . . . . . . . . 4205 1 172 . 1 1 18 18 SER N N 15 116.15 0.25 . 1 . . . . . . . . 4205 1 173 . 1 1 19 19 GLN H H 1 8.28 0.03 . 1 . . . . . . . . 4205 1 174 . 1 1 19 19 GLN HA H 1 4.18 0.03 . 1 . . . . . . . . 4205 1 175 . 1 1 19 19 GLN HB2 H 1 2.13 0.03 . 1 . . . . . . . . 4205 1 176 . 1 1 19 19 GLN HB3 H 1 2.13 0.03 . 1 . . . . . . . . 4205 1 177 . 1 1 19 19 GLN HG2 H 1 2.46 0.03 . 1 . . . . . . . . 4205 1 178 . 1 1 19 19 GLN HG3 H 1 2.46 0.03 . 1 . . . . . . . . 4205 1 179 . 1 1 19 19 GLN HE21 H 1 7.61 0.03 . 1 . . . . . . . . 4205 1 180 . 1 1 19 19 GLN HE22 H 1 6.82 0.03 . 1 . . . . . . . . 4205 1 181 . 1 1 19 19 GLN C C 13 177.36 0.50 . 1 . . . . . . . . 4205 1 182 . 1 1 19 19 GLN CA C 13 57.57 0.50 . 1 . . . . . . . . 4205 1 183 . 1 1 19 19 GLN CB C 13 28.77 0.50 . 1 . . . . . . . . 4205 1 184 . 1 1 19 19 GLN CG C 13 33.81 0.50 . 1 . . . . . . . . 4205 1 185 . 1 1 19 19 GLN CD C 13 180.03 0.50 . 1 . . . . . . . . 4205 1 186 . 1 1 19 19 GLN N N 15 121.21 0.25 . 1 . . . . . . . . 4205 1 187 . 1 1 19 19 GLN NE2 N 15 112.65 0.25 . 1 . . . . . . . . 4205 1 188 . 1 1 20 20 ALA H H 1 8.10 0.03 . 1 . . . . . . . . 4205 1 189 . 1 1 20 20 ALA HA H 1 4.25 0.03 . 1 . . . . . . . . 4205 1 190 . 1 1 20 20 ALA HB1 H 1 1.47 0.03 . 1 . . . . . . . . 4205 1 191 . 1 1 20 20 ALA HB2 H 1 1.47 0.03 . 1 . . . . . . . . 4205 1 192 . 1 1 20 20 ALA HB3 H 1 1.47 0.03 . 1 . . . . . . . . 4205 1 193 . 1 1 20 20 ALA C C 13 179.24 0.50 . 1 . . . . . . . . 4205 1 194 . 1 1 20 20 ALA CA C 13 53.84 0.50 . 1 . . . . . . . . 4205 1 195 . 1 1 20 20 ALA CB C 13 18.70 0.50 . 1 . . . . . . . . 4205 1 196 . 1 1 20 20 ALA N N 15 123.37 0.25 . 1 . . . . . . . . 4205 1 197 . 1 1 21 21 LEU H H 1 8.04 0.03 . 1 . . . . . . . . 4205 1 198 . 1 1 21 21 LEU HA H 1 4.12 0.03 . 1 . . . . . . . . 4205 1 199 . 1 1 21 21 LEU HB2 H 1 1.68 0.03 . 1 . . . . . . . . 4205 1 200 . 1 1 21 21 LEU HB3 H 1 1.54 0.03 . 1 . . . . . . . . 4205 1 201 . 1 1 21 21 LEU HG H 1 1.63 0.03 . 1 . . . . . . . . 4205 1 202 . 1 1 21 21 LEU HD11 H 1 0.90 0.03 . 1 . . . . . . . . 4205 1 203 . 1 1 21 21 LEU HD12 H 1 0.90 0.03 . 1 . . . . . . . . 4205 1 204 . 1 1 21 21 LEU HD13 H 1 0.90 0.03 . 1 . . . . . . . . 4205 1 205 . 1 1 21 21 LEU HD21 H 1 0.87 0.03 . 1 . . . . . . . . 4205 1 206 . 1 1 21 21 LEU HD22 H 1 0.87 0.03 . 1 . . . . . . . . 4205 1 207 . 1 1 21 21 LEU HD23 H 1 0.87 0.03 . 1 . . . . . . . . 4205 1 208 . 1 1 21 21 LEU C C 13 178.08 0.50 . 1 . . . . . . . . 4205 1 209 . 1 1 21 21 LEU CA C 13 56.62 0.50 . 1 . . . . . . . . 4205 1 210 . 1 1 21 21 LEU CB C 13 42.08 0.50 . 1 . . . . . . . . 4205 1 211 . 1 1 21 21 LEU CG C 13 26.98 0.50 . 1 . . . . . . . . 4205 1 212 . 1 1 21 21 LEU CD1 C 13 25.01 0.50 . 1 . . . . . . . . 4205 1 213 . 1 1 21 21 LEU CD2 C 13 24.00 0.50 . 1 . . . . . . . . 4205 1 214 . 1 1 21 21 LEU N N 15 120.06 0.25 . 1 . . . . . . . . 4205 1 215 . 1 1 22 22 LYS H H 1 8.00 0.03 . 1 . . . . . . . . 4205 1 216 . 1 1 22 22 LYS HA H 1 4.06 0.03 . 1 . . . . . . . . 4205 1 217 . 1 1 22 22 LYS HB2 H 1 1.90 0.03 . 1 . . . . . . . . 4205 1 218 . 1 1 22 22 LYS HB3 H 1 1.90 0.03 . 1 . . . . . . . . 4205 1 219 . 1 1 22 22 LYS HG2 H 1 1.47 0.03 . 2 . . . . . . . . 4205 1 220 . 1 1 22 22 LYS HG3 H 1 1.60 0.03 . 2 . . . . . . . . 4205 1 221 . 1 1 22 22 LYS HD2 H 1 1.73 0.03 . 1 . . . . . . . . 4205 1 222 . 1 1 22 22 LYS HD3 H 1 1.73 0.03 . 1 . . . . . . . . 4205 1 223 . 1 1 22 22 LYS HE2 H 1 3.01 0.03 . 1 . . . . . . . . 4205 1 224 . 1 1 22 22 LYS HE3 H 1 3.01 0.03 . 1 . . . . . . . . 4205 1 225 . 1 1 22 22 LYS C C 13 178.20 0.50 . 1 . . . . . . . . 4205 1 226 . 1 1 22 22 LYS CA C 13 58.59 0.50 . 1 . . . . . . . . 4205 1 227 . 1 1 22 22 LYS CB C 13 32.49 0.50 . 1 . . . . . . . . 4205 1 228 . 1 1 22 22 LYS CG C 13 25.42 0.50 . 1 . . . . . . . . 4205 1 229 . 1 1 22 22 LYS CD C 13 29.30 0.50 . 1 . . . . . . . . 4205 1 230 . 1 1 22 22 LYS CE C 13 42.13 0.50 . 1 . . . . . . . . 4205 1 231 . 1 1 22 22 LYS N N 15 119.40 0.25 . 1 . . . . . . . . 4205 1 232 . 1 1 23 23 ALA H H 1 8.06 0.03 . 1 . . . . . . . . 4205 1 233 . 1 1 23 23 ALA HA H 1 4.31 0.03 . 1 . . . . . . . . 4205 1 234 . 1 1 23 23 ALA HB1 H 1 1.42 0.03 . 1 . . . . . . . . 4205 1 235 . 1 1 23 23 ALA HB2 H 1 1.42 0.03 . 1 . . . . . . . . 4205 1 236 . 1 1 23 23 ALA HB3 H 1 1.42 0.03 . 1 . . . . . . . . 4205 1 237 . 1 1 23 23 ALA C C 13 179.37 0.50 . 1 . . . . . . . . 4205 1 238 . 1 1 23 23 ALA CA C 13 53.91 0.50 . 1 . . . . . . . . 4205 1 239 . 1 1 23 23 ALA CB C 13 18.67 0.50 . 1 . . . . . . . . 4205 1 240 . 1 1 23 23 ALA N N 15 122.42 0.25 . 1 . . . . . . . . 4205 1 241 . 1 1 24 24 THR H H 1 7.96 0.03 . 1 . . . . . . . . 4205 1 242 . 1 1 24 24 THR HA H 1 4.14 0.03 . 1 . . . . . . . . 4205 1 243 . 1 1 24 24 THR HB H 1 4.14 0.03 . 1 . . . . . . . . 4205 1 244 . 1 1 24 24 THR HG21 H 1 1.00 0.03 . 1 . . . . . . . . 4205 1 245 . 1 1 24 24 THR HG22 H 1 1.00 0.03 . 1 . . . . . . . . 4205 1 246 . 1 1 24 24 THR HG23 H 1 1.00 0.03 . 1 . . . . . . . . 4205 1 247 . 1 1 24 24 THR C C 13 176.35 0.50 . 1 . . . . . . . . 4205 1 248 . 1 1 24 24 THR CA C 13 64.47 0.50 . 1 . . . . . . . . 4205 1 249 . 1 1 24 24 THR CB C 13 69.20 0.50 . 1 . . . . . . . . 4205 1 250 . 1 1 24 24 THR CG2 C 13 21.99 0.50 . 1 . . . . . . . . 4205 1 251 . 1 1 24 24 THR N N 15 114.69 0.25 . 1 . . . . . . . . 4205 1 252 . 1 1 25 25 PHE H H 1 8.39 0.03 . 1 . . . . . . . . 4205 1 253 . 1 1 25 25 PHE HA H 1 4.91 0.03 . 1 . . . . . . . . 4205 1 254 . 1 1 25 25 PHE HB2 H 1 3.07 0.03 . 1 . . . . . . . . 4205 1 255 . 1 1 25 25 PHE HB3 H 1 3.27 0.03 . 1 . . . . . . . . 4205 1 256 . 1 1 25 25 PHE HD1 H 1 7.08 0.03 . 1 . . . . . . . . 4205 1 257 . 1 1 25 25 PHE HD2 H 1 7.08 0.03 . 1 . . . . . . . . 4205 1 258 . 1 1 25 25 PHE HE1 H 1 7.29 0.03 . 1 . . . . . . . . 4205 1 259 . 1 1 25 25 PHE HE2 H 1 7.29 0.03 . 1 . . . . . . . . 4205 1 260 . 1 1 25 25 PHE HZ H 1 6.53 0.03 . 1 . . . . . . . . 4205 1 261 . 1 1 25 25 PHE CA C 13 58.46 0.50 . 1 . . . . . . . . 4205 1 262 . 1 1 25 25 PHE CB C 13 38.26 0.50 . 1 . . . . . . . . 4205 1 263 . 1 1 25 25 PHE CD1 C 13 130.68 0.50 . 1 . . . . . . . . 4205 1 264 . 1 1 25 25 PHE CD2 C 13 130.68 0.50 . 1 . . . . . . . . 4205 1 265 . 1 1 25 25 PHE N N 15 119.55 0.25 . 1 . . . . . . . . 4205 1 266 . 1 1 26 26 SER H H 1 8.21 0.03 . 1 . . . . . . . . 4205 1 267 . 1 1 26 26 SER HA H 1 4.40 0.03 . 1 . . . . . . . . 4205 1 268 . 1 1 26 26 SER HB2 H 1 4.13 0.03 . 1 . . . . . . . . 4205 1 269 . 1 1 26 26 SER HB3 H 1 4.13 0.03 . 1 . . . . . . . . 4205 1 270 . 1 1 26 26 SER C C 13 176.67 0.50 . 1 . . . . . . . . 4205 1 271 . 1 1 26 26 SER CA C 13 61.61 0.50 . 1 . . . . . . . . 4205 1 272 . 1 1 26 26 SER CB C 13 62.95 0.50 . 1 . . . . . . . . 4205 1 273 . 1 1 26 26 SER N N 15 117.25 0.25 . 1 . . . . . . . . 4205 1 274 . 1 1 27 27 GLY H H 1 9.01 0.03 . 1 . . . . . . . . 4205 1 275 . 1 1 27 27 GLY HA2 H 1 4.19 0.03 . 2 . . . . . . . . 4205 1 276 . 1 1 27 27 GLY HA3 H 1 4.43 0.03 . 2 . . . . . . . . 4205 1 277 . 1 1 27 27 GLY C C 13 175.99 0.50 . 1 . . . . . . . . 4205 1 278 . 1 1 27 27 GLY CA C 13 46.73 0.50 . 1 . . . . . . . . 4205 1 279 . 1 1 27 27 GLY N N 15 110.61 0.25 . 1 . . . . . . . . 4205 1 280 . 1 1 28 28 PHE H H 1 7.86 0.03 . 1 . . . . . . . . 4205 1 281 . 1 1 28 28 PHE HA H 1 3.48 0.03 . 1 . . . . . . . . 4205 1 282 . 1 1 28 28 PHE HB2 H 1 2.86 0.03 . 1 . . . . . . . . 4205 1 283 . 1 1 28 28 PHE HB3 H 1 1.85 0.03 . 1 . . . . . . . . 4205 1 284 . 1 1 28 28 PHE HD1 H 1 6.50 0.03 . 1 . . . . . . . . 4205 1 285 . 1 1 28 28 PHE HD2 H 1 6.50 0.03 . 1 . . . . . . . . 4205 1 286 . 1 1 28 28 PHE HE1 H 1 7.06 0.03 . 1 . . . . . . . . 4205 1 287 . 1 1 28 28 PHE HE2 H 1 7.06 0.03 . 1 . . . . . . . . 4205 1 288 . 1 1 28 28 PHE HZ H 1 6.90 0.03 . 1 . . . . . . . . 4205 1 289 . 1 1 28 28 PHE C C 13 176.15 0.50 . 1 . . . . . . . . 4205 1 290 . 1 1 28 28 PHE CA C 13 59.21 0.50 . 1 . . . . . . . . 4205 1 291 . 1 1 28 28 PHE CB C 13 37.68 0.50 . 1 . . . . . . . . 4205 1 292 . 1 1 28 28 PHE CD1 C 13 132.46 0.50 . 1 . . . . . . . . 4205 1 293 . 1 1 28 28 PHE CD2 C 13 132.46 0.50 . 1 . . . . . . . . 4205 1 294 . 1 1 28 28 PHE CE1 C 13 130.13 0.50 . 1 . . . . . . . . 4205 1 295 . 1 1 28 28 PHE CE2 C 13 130.13 0.50 . 1 . . . . . . . . 4205 1 296 . 1 1 28 28 PHE CZ C 13 129.06 0.50 . 1 . . . . . . . . 4205 1 297 . 1 1 28 28 PHE N N 15 121.52 0.25 . 1 . . . . . . . . 4205 1 298 . 1 1 29 29 THR H H 1 7.61 0.03 . 1 . . . . . . . . 4205 1 299 . 1 1 29 29 THR HA H 1 4.04 0.03 . 1 . . . . . . . . 4205 1 300 . 1 1 29 29 THR HB H 1 4.17 0.03 . 1 . . . . . . . . 4205 1 301 . 1 1 29 29 THR HG21 H 1 1.26 0.03 . 1 . . . . . . . . 4205 1 302 . 1 1 29 29 THR HG22 H 1 1.26 0.03 . 1 . . . . . . . . 4205 1 303 . 1 1 29 29 THR HG23 H 1 1.26 0.03 . 1 . . . . . . . . 4205 1 304 . 1 1 29 29 THR C C 13 176.57 0.50 . 1 . . . . . . . . 4205 1 305 . 1 1 29 29 THR CA C 13 65.75 0.50 . 1 . . . . . . . . 4205 1 306 . 1 1 29 29 THR CB C 13 68.44 0.50 . 1 . . . . . . . . 4205 1 307 . 1 1 29 29 THR CG2 C 13 22.07 0.50 . 1 . . . . . . . . 4205 1 308 . 1 1 29 29 THR N N 15 114.28 0.25 . 1 . . . . . . . . 4205 1 309 . 1 1 30 30 LYS H H 1 7.40 0.03 . 1 . . . . . . . . 4205 1 310 . 1 1 30 30 LYS HA H 1 4.06 0.03 . 1 . . . . . . . . 4205 1 311 . 1 1 30 30 LYS HB2 H 1 1.93 0.03 . 1 . . . . . . . . 4205 1 312 . 1 1 30 30 LYS HB3 H 1 1.93 0.03 . 1 . . . . . . . . 4205 1 313 . 1 1 30 30 LYS HG2 H 1 1.52 0.03 . 1 . . . . . . . . 4205 1 314 . 1 1 30 30 LYS HG3 H 1 1.52 0.03 . 1 . . . . . . . . 4205 1 315 . 1 1 30 30 LYS HD2 H 1 1.75 0.03 . 1 . . . . . . . . 4205 1 316 . 1 1 30 30 LYS HD3 H 1 1.75 0.03 . 1 . . . . . . . . 4205 1 317 . 1 1 30 30 LYS HE2 H 1 3.05 0.03 . 1 . . . . . . . . 4205 1 318 . 1 1 30 30 LYS HE3 H 1 3.05 0.03 . 1 . . . . . . . . 4205 1 319 . 1 1 30 30 LYS C C 13 178.86 0.50 . 1 . . . . . . . . 4205 1 320 . 1 1 30 30 LYS CA C 13 59.01 0.50 . 1 . . . . . . . . 4205 1 321 . 1 1 30 30 LYS CB C 13 32.13 0.50 . 1 . . . . . . . . 4205 1 322 . 1 1 30 30 LYS CG C 13 24.97 0.50 . 1 . . . . . . . . 4205 1 323 . 1 1 30 30 LYS CD C 13 29.25 0.50 . 1 . . . . . . . . 4205 1 324 . 1 1 30 30 LYS CE C 13 42.07 0.50 . 1 . . . . . . . . 4205 1 325 . 1 1 30 30 LYS N N 15 119.42 0.25 . 1 . . . . . . . . 4205 1 326 . 1 1 31 31 GLU H H 1 6.97 0.03 . 1 . . . . . . . . 4205 1 327 . 1 1 31 31 GLU HA H 1 4.44 0.03 . 1 . . . . . . . . 4205 1 328 . 1 1 31 31 GLU HB2 H 1 1.69 0.03 . 1 . . . . . . . . 4205 1 329 . 1 1 31 31 GLU HB3 H 1 1.69 0.03 . 1 . . . . . . . . 4205 1 330 . 1 1 31 31 GLU HG2 H 1 2.29 0.03 . 1 . . . . . . . . 4205 1 331 . 1 1 31 31 GLU HG3 H 1 2.29 0.03 . 1 . . . . . . . . 4205 1 332 . 1 1 31 31 GLU C C 13 177.99 0.50 . 1 . . . . . . . . 4205 1 333 . 1 1 31 31 GLU CA C 13 57.66 0.50 . 1 . . . . . . . . 4205 1 334 . 1 1 31 31 GLU CB C 13 29.60 0.50 . 1 . . . . . . . . 4205 1 335 . 1 1 31 31 GLU CG C 13 34.60 0.50 . 1 . . . . . . . . 4205 1 336 . 1 1 31 31 GLU N N 15 122.34 0.25 . 1 . . . . . . . . 4205 1 337 . 1 1 32 32 GLN H H 1 8.26 0.03 . 1 . . . . . . . . 4205 1 338 . 1 1 32 32 GLN HA H 1 3.33 0.03 . 1 . . . . . . . . 4205 1 339 . 1 1 32 32 GLN HB2 H 1 1.84 0.03 . 1 . . . . . . . . 4205 1 340 . 1 1 32 32 GLN HB3 H 1 1.84 0.03 . 1 . . . . . . . . 4205 1 341 . 1 1 32 32 GLN HG2 H 1 1.36 0.03 . 2 . . . . . . . . 4205 1 342 . 1 1 32 32 GLN HG3 H 1 1.55 0.03 . 2 . . . . . . . . 4205 1 343 . 1 1 32 32 GLN HE21 H 1 6.38 0.03 . 1 . . . . . . . . 4205 1 344 . 1 1 32 32 GLN HE22 H 1 6.95 0.03 . 1 . . . . . . . . 4205 1 345 . 1 1 32 32 GLN C C 13 178.49 0.50 . 1 . . . . . . . . 4205 1 346 . 1 1 32 32 GLN CA C 13 59.09 0.50 . 1 . . . . . . . . 4205 1 347 . 1 1 32 32 GLN CB C 13 28.62 0.50 . 1 . . . . . . . . 4205 1 348 . 1 1 32 32 GLN CG C 13 34.66 0.50 . 1 . . . . . . . . 4205 1 349 . 1 1 32 32 GLN CD C 13 179.14 0.50 . 1 . . . . . . . . 4205 1 350 . 1 1 32 32 GLN N N 15 118.51 0.25 . 1 . . . . . . . . 4205 1 351 . 1 1 32 32 GLN NE2 N 15 110.99 0.25 . 1 . . . . . . . . 4205 1 352 . 1 1 33 33 GLN H H 1 7.37 0.03 . 1 . . . . . . . . 4205 1 353 . 1 1 33 33 GLN HA H 1 3.96 0.03 . 1 . . . . . . . . 4205 1 354 . 1 1 33 33 GLN HB2 H 1 2.06 0.03 . 1 . . . . . . . . 4205 1 355 . 1 1 33 33 GLN HB3 H 1 2.06 0.03 . 1 . . . . . . . . 4205 1 356 . 1 1 33 33 GLN HG2 H 1 2.32 0.03 . 2 . . . . . . . . 4205 1 357 . 1 1 33 33 GLN HG3 H 1 2.45 0.03 . 2 . . . . . . . . 4205 1 358 . 1 1 33 33 GLN HE21 H 1 7.37 0.03 . 1 . . . . . . . . 4205 1 359 . 1 1 33 33 GLN HE22 H 1 6.75 0.03 . 1 . . . . . . . . 4205 1 360 . 1 1 33 33 GLN C C 13 178.30 0.50 . 1 . . . . . . . . 4205 1 361 . 1 1 33 33 GLN CA C 13 58.08 0.50 . 1 . . . . . . . . 4205 1 362 . 1 1 33 33 GLN CB C 13 28.41 0.50 . 1 . . . . . . . . 4205 1 363 . 1 1 33 33 GLN CG C 13 33.72 0.50 . 1 . . . . . . . . 4205 1 364 . 1 1 33 33 GLN CD C 13 179.92 0.50 . 1 . . . . . . . . 4205 1 365 . 1 1 33 33 GLN N N 15 116.14 0.25 . 1 . . . . . . . . 4205 1 366 . 1 1 33 33 GLN NE2 N 15 111.49 0.25 . 1 . . . . . . . . 4205 1 367 . 1 1 34 34 ARG H H 1 7.89 0.03 . 1 . . . . . . . . 4205 1 368 . 1 1 34 34 ARG HA H 1 3.97 0.03 . 1 . . . . . . . . 4205 1 369 . 1 1 34 34 ARG HB2 H 1 1.90 0.03 . 2 . . . . . . . . 4205 1 370 . 1 1 34 34 ARG HB3 H 1 1.94 0.03 . 2 . . . . . . . . 4205 1 371 . 1 1 34 34 ARG HG2 H 1 1.43 0.03 . 2 . . . . . . . . 4205 1 372 . 1 1 34 34 ARG HG3 H 1 1.62 0.03 . 2 . . . . . . . . 4205 1 373 . 1 1 34 34 ARG HD2 H 1 3.06 0.03 . 1 . . . . . . . . 4205 1 374 . 1 1 34 34 ARG HD3 H 1 3.06 0.03 . 1 . . . . . . . . 4205 1 375 . 1 1 34 34 ARG C C 13 178.15 0.50 . 1 . . . . . . . . 4205 1 376 . 1 1 34 34 ARG CA C 13 59.52 0.50 . 1 . . . . . . . . 4205 1 377 . 1 1 34 34 ARG CB C 13 31.55 0.50 . 1 . . . . . . . . 4205 1 378 . 1 1 34 34 ARG CG C 13 28.09 0.50 . 1 . . . . . . . . 4205 1 379 . 1 1 34 34 ARG CD C 13 43.42 0.50 . 1 . . . . . . . . 4205 1 380 . 1 1 34 34 ARG N N 15 121.13 0.25 . 1 . . . . . . . . 4205 1 381 . 1 1 35 35 LEU H H 1 8.04 0.03 . 1 . . . . . . . . 4205 1 382 . 1 1 35 35 LEU HA H 1 4.36 0.03 . 1 . . . . . . . . 4205 1 383 . 1 1 35 35 LEU HB2 H 1 2.29 0.03 . 1 . . . . . . . . 4205 1 384 . 1 1 35 35 LEU HB3 H 1 2.29 0.03 . 1 . . . . . . . . 4205 1 385 . 1 1 35 35 LEU HG H 1 1.52 0.03 . 1 . . . . . . . . 4205 1 386 . 1 1 35 35 LEU HD11 H 1 0.86 0.03 . 1 . . . . . . . . 4205 1 387 . 1 1 35 35 LEU HD12 H 1 0.86 0.03 . 1 . . . . . . . . 4205 1 388 . 1 1 35 35 LEU HD13 H 1 0.86 0.03 . 1 . . . . . . . . 4205 1 389 . 1 1 35 35 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4205 1 390 . 1 1 35 35 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4205 1 391 . 1 1 35 35 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4205 1 392 . 1 1 35 35 LEU C C 13 177.47 0.50 . 1 . . . . . . . . 4205 1 393 . 1 1 35 35 LEU CA C 13 54.30 0.50 . 1 . . . . . . . . 4205 1 394 . 1 1 35 35 LEU CB C 13 43.33 0.50 . 1 . . . . . . . . 4205 1 395 . 1 1 35 35 LEU CG C 13 26.83 0.50 . 1 . . . . . . . . 4205 1 396 . 1 1 35 35 LEU CD1 C 13 25.78 0.50 . 1 . . . . . . . . 4205 1 397 . 1 1 35 35 LEU CD2 C 13 21.98 0.50 . 1 . . . . . . . . 4205 1 398 . 1 1 35 35 LEU N N 15 114.60 0.25 . 1 . . . . . . . . 4205 1 399 . 1 1 36 36 GLY H H 1 7.54 0.03 . 1 . . . . . . . . 4205 1 400 . 1 1 36 36 GLY HA2 H 1 3.83 0.03 . 1 . . . . . . . . 4205 1 401 . 1 1 36 36 GLY HA3 H 1 3.83 0.03 . 1 . . . . . . . . 4205 1 402 . 1 1 36 36 GLY C C 13 174.85 0.50 . 1 . . . . . . . . 4205 1 403 . 1 1 36 36 GLY CA C 13 46.81 0.50 . 1 . . . . . . . . 4205 1 404 . 1 1 36 36 GLY N N 15 110.64 0.25 . 1 . . . . . . . . 4205 1 405 . 1 1 37 37 ILE H H 1 7.83 0.03 . 1 . . . . . . . . 4205 1 406 . 1 1 37 37 ILE HA H 1 3.48 0.03 . 1 . . . . . . . . 4205 1 407 . 1 1 37 37 ILE HB H 1 1.21 0.03 . 1 . . . . . . . . 4205 1 408 . 1 1 37 37 ILE HG12 H 1 0.74 0.03 . 2 . . . . . . . . 4205 1 409 . 1 1 37 37 ILE HG13 H 1 1.40 0.03 . 2 . . . . . . . . 4205 1 410 . 1 1 37 37 ILE HG21 H 1 0.30 0.03 . 1 . . . . . . . . 4205 1 411 . 1 1 37 37 ILE HG22 H 1 0.30 0.03 . 1 . . . . . . . . 4205 1 412 . 1 1 37 37 ILE HG23 H 1 0.30 0.03 . 1 . . . . . . . . 4205 1 413 . 1 1 37 37 ILE HD11 H 1 0.64 0.03 . 1 . . . . . . . . 4205 1 414 . 1 1 37 37 ILE HD12 H 1 0.64 0.03 . 1 . . . . . . . . 4205 1 415 . 1 1 37 37 ILE HD13 H 1 0.64 0.03 . 1 . . . . . . . . 4205 1 416 . 1 1 37 37 ILE CA C 13 59.05 0.50 . 1 . . . . . . . . 4205 1 417 . 1 1 37 37 ILE CB C 13 39.75 0.50 . 1 . . . . . . . . 4205 1 418 . 1 1 37 37 ILE CG2 C 13 16.12 0.50 . 1 . . . . . . . . 4205 1 419 . 1 1 37 37 ILE CD1 C 13 13.72 0.50 . 1 . . . . . . . . 4205 1 420 . 1 1 37 37 ILE N N 15 121.76 0.25 . 1 . . . . . . . . 4205 1 421 . 1 1 38 38 PRO HA H 1 4.27 0.03 . 1 . . . . . . . . 4205 1 422 . 1 1 38 38 PRO HB2 H 1 1.82 0.03 . 2 . . . . . . . . 4205 1 423 . 1 1 38 38 PRO HB3 H 1 2.54 0.03 . 2 . . . . . . . . 4205 1 424 . 1 1 38 38 PRO HG2 H 1 2.00 0.03 . 1 . . . . . . . . 4205 1 425 . 1 1 38 38 PRO HG3 H 1 2.00 0.03 . 1 . . . . . . . . 4205 1 426 . 1 1 38 38 PRO HD2 H 1 2.67 0.03 . 2 . . . . . . . . 4205 1 427 . 1 1 38 38 PRO HD3 H 1 3.18 0.03 . 2 . . . . . . . . 4205 1 428 . 1 1 38 38 PRO C C 13 176.38 0.50 . 1 . . . . . . . . 4205 1 429 . 1 1 38 38 PRO CA C 13 62.70 0.50 . 1 . . . . . . . . 4205 1 430 . 1 1 38 38 PRO CB C 13 32.80 0.50 . 1 . . . . . . . . 4205 1 431 . 1 1 38 38 PRO CD C 13 50.36 0.50 . 1 . . . . . . . . 4205 1 432 . 1 1 39 39 LYS H H 1 8.40 0.03 . 1 . . . . . . . . 4205 1 433 . 1 1 39 39 LYS HA H 1 3.88 0.03 . 1 . . . . . . . . 4205 1 434 . 1 1 39 39 LYS HB2 H 1 1.75 0.03 . 1 . . . . . . . . 4205 1 435 . 1 1 39 39 LYS HB3 H 1 1.75 0.03 . 1 . . . . . . . . 4205 1 436 . 1 1 39 39 LYS HG2 H 1 1.42 0.03 . 2 . . . . . . . . 4205 1 437 . 1 1 39 39 LYS HG3 H 1 1.50 0.03 . 2 . . . . . . . . 4205 1 438 . 1 1 39 39 LYS HD2 H 1 1.65 0.03 . 1 . . . . . . . . 4205 1 439 . 1 1 39 39 LYS HD3 H 1 1.65 0.03 . 1 . . . . . . . . 4205 1 440 . 1 1 39 39 LYS C C 13 175.67 0.50 . 1 . . . . . . . . 4205 1 441 . 1 1 39 39 LYS CA C 13 58.73 0.50 . 1 . . . . . . . . 4205 1 442 . 1 1 39 39 LYS CB C 13 32.63 0.50 . 1 . . . . . . . . 4205 1 443 . 1 1 39 39 LYS CG C 13 24.96 0.50 . 1 . . . . . . . . 4205 1 444 . 1 1 39 39 LYS CD C 13 29.02 0.50 . 1 . . . . . . . . 4205 1 445 . 1 1 39 39 LYS N N 15 122.44 0.25 . 1 . . . . . . . . 4205 1 446 . 1 1 40 40 ASP H H 1 7.48 0.03 . 1 . . . . . . . . 4205 1 447 . 1 1 40 40 ASP HA H 1 4.68 0.03 . 1 . . . . . . . . 4205 1 448 . 1 1 40 40 ASP HB2 H 1 2.43 0.03 . 2 . . . . . . . . 4205 1 449 . 1 1 40 40 ASP HB3 H 1 2.75 0.03 . 2 . . . . . . . . 4205 1 450 . 1 1 40 40 ASP CA C 13 49.56 0.50 . 1 . . . . . . . . 4205 1 451 . 1 1 40 40 ASP CB C 13 42.45 0.50 . 1 . . . . . . . . 4205 1 452 . 1 1 40 40 ASP N N 15 115.73 0.25 . 1 . . . . . . . . 4205 1 453 . 1 1 41 41 PRO HA H 1 1.18 0.03 . 1 . . . . . . . . 4205 1 454 . 1 1 41 41 PRO HB2 H 1 -0.29 0.03 . 2 . . . . . . . . 4205 1 455 . 1 1 41 41 PRO HB3 H 1 0.41 0.03 . 2 . . . . . . . . 4205 1 456 . 1 1 41 41 PRO HG2 H 1 0.77 0.03 . 2 . . . . . . . . 4205 1 457 . 1 1 41 41 PRO HG3 H 1 1.06 0.03 . 2 . . . . . . . . 4205 1 458 . 1 1 41 41 PRO HD2 H 1 3.35 0.03 . 2 . . . . . . . . 4205 1 459 . 1 1 41 41 PRO HD3 H 1 3.47 0.03 . 2 . . . . . . . . 4205 1 460 . 1 1 41 41 PRO C C 13 177.36 0.50 . 1 . . . . . . . . 4205 1 461 . 1 1 41 41 PRO CA C 13 61.69 0.50 . 1 . . . . . . . . 4205 1 462 . 1 1 41 41 PRO CB C 13 30.00 0.50 . 1 . . . . . . . . 4205 1 463 . 1 1 41 41 PRO CG C 13 27.25 0.50 . 1 . . . . . . . . 4205 1 464 . 1 1 41 41 PRO CD C 13 50.09 0.50 . 1 . . . . . . . . 4205 1 465 . 1 1 42 42 ARG H H 1 7.97 0.03 . 1 . . . . . . . . 4205 1 466 . 1 1 42 42 ARG HA H 1 4.43 0.03 . 1 . . . . . . . . 4205 1 467 . 1 1 42 42 ARG HD2 H 1 3.08 0.03 . 2 . . . . . . . . 4205 1 468 . 1 1 42 42 ARG HD3 H 1 3.16 0.03 . 2 . . . . . . . . 4205 1 469 . 1 1 42 42 ARG C C 13 178.69 0.50 . 1 . . . . . . . . 4205 1 470 . 1 1 42 42 ARG CA C 13 58.57 0.50 . 1 . . . . . . . . 4205 1 471 . 1 1 42 42 ARG CB C 13 28.95 0.50 . 1 . . . . . . . . 4205 1 472 . 1 1 42 42 ARG N N 15 116.16 0.25 . 1 . . . . . . . . 4205 1 473 . 1 1 43 43 GLN H H 1 8.14 0.03 . 1 . . . . . . . . 4205 1 474 . 1 1 43 43 GLN HA H 1 4.43 0.03 . 1 . . . . . . . . 4205 1 475 . 1 1 43 43 GLN HB2 H 1 2.04 0.03 . 1 . . . . . . . . 4205 1 476 . 1 1 43 43 GLN HB3 H 1 2.46 0.03 . 1 . . . . . . . . 4205 1 477 . 1 1 43 43 GLN HG2 H 1 2.30 0.03 . 1 . . . . . . . . 4205 1 478 . 1 1 43 43 GLN HG3 H 1 2.30 0.03 . 1 . . . . . . . . 4205 1 479 . 1 1 43 43 GLN HE21 H 1 7.55 0.03 . 1 . . . . . . . . 4205 1 480 . 1 1 43 43 GLN HE22 H 1 6.86 0.03 . 1 . . . . . . . . 4205 1 481 . 1 1 43 43 GLN C C 13 176.36 0.50 . 1 . . . . . . . . 4205 1 482 . 1 1 43 43 GLN CA C 13 54.69 0.50 . 1 . . . . . . . . 4205 1 483 . 1 1 43 43 GLN CB C 13 28.64 0.50 . 1 . . . . . . . . 4205 1 484 . 1 1 43 43 GLN CG C 13 33.95 0.50 . 1 . . . . . . . . 4205 1 485 . 1 1 43 43 GLN CD C 13 180.14 0.50 . 1 . . . . . . . . 4205 1 486 . 1 1 43 43 GLN N N 15 117.13 0.25 . 1 . . . . . . . . 4205 1 487 . 1 1 43 43 GLN NE2 N 15 112.09 0.25 . 1 . . . . . . . . 4205 1 488 . 1 1 44 44 TRP H H 1 7.63 0.03 . 1 . . . . . . . . 4205 1 489 . 1 1 44 44 TRP HA H 1 5.81 0.03 . 1 . . . . . . . . 4205 1 490 . 1 1 44 44 TRP HB2 H 1 3.44 0.03 . 2 . . . . . . . . 4205 1 491 . 1 1 44 44 TRP HB3 H 1 3.72 0.03 . 2 . . . . . . . . 4205 1 492 . 1 1 44 44 TRP HD1 H 1 6.34 0.03 . 1 . . . . . . . . 4205 1 493 . 1 1 44 44 TRP HE1 H 1 9.96 0.03 . 1 . . . . . . . . 4205 1 494 . 1 1 44 44 TRP HE3 H 1 7.25 0.03 . 1 . . . . . . . . 4205 1 495 . 1 1 44 44 TRP HZ2 H 1 6.97 0.03 . 1 . . . . . . . . 4205 1 496 . 1 1 44 44 TRP HZ3 H 1 6.16 0.03 . 1 . . . . . . . . 4205 1 497 . 1 1 44 44 TRP HH2 H 1 5.80 0.03 . 1 . . . . . . . . 4205 1 498 . 1 1 44 44 TRP C C 13 179.84 0.50 . 1 . . . . . . . . 4205 1 499 . 1 1 44 44 TRP CA C 13 55.40 0.50 . 1 . . . . . . . . 4205 1 500 . 1 1 44 44 TRP CB C 13 31.08 0.50 . 1 . . . . . . . . 4205 1 501 . 1 1 44 44 TRP CD1 C 13 122.72 0.50 . 1 . . . . . . . . 4205 1 502 . 1 1 44 44 TRP CE3 C 13 119.81 0.50 . 1 . . . . . . . . 4205 1 503 . 1 1 44 44 TRP CZ2 C 13 112.55 0.50 . 1 . . . . . . . . 4205 1 504 . 1 1 44 44 TRP CZ3 C 13 122.15 0.50 . 1 . . . . . . . . 4205 1 505 . 1 1 44 44 TRP CH2 C 13 125.30 0.50 . 1 . . . . . . . . 4205 1 506 . 1 1 44 44 TRP N N 15 120.91 0.25 . 1 . . . . . . . . 4205 1 507 . 1 1 44 44 TRP NE1 N 15 127.92 0.25 . 1 . . . . . . . . 4205 1 508 . 1 1 45 45 THR H H 1 11.18 0.03 . 1 . . . . . . . . 4205 1 509 . 1 1 45 45 THR HA H 1 4.77 0.03 . 1 . . . . . . . . 4205 1 510 . 1 1 45 45 THR HB H 1 4.77 0.03 . 1 . . . . . . . . 4205 1 511 . 1 1 45 45 THR HG21 H 1 1.44 0.03 . 1 . . . . . . . . 4205 1 512 . 1 1 45 45 THR HG22 H 1 1.44 0.03 . 1 . . . . . . . . 4205 1 513 . 1 1 45 45 THR HG23 H 1 1.44 0.03 . 1 . . . . . . . . 4205 1 514 . 1 1 45 45 THR C C 13 175.20 0.50 . 1 . . . . . . . . 4205 1 515 . 1 1 45 45 THR CA C 13 60.56 0.50 . 1 . . . . . . . . 4205 1 516 . 1 1 45 45 THR CB C 13 71.52 0.50 . 1 . . . . . . . . 4205 1 517 . 1 1 45 45 THR CG2 C 13 21.48 0.50 . 1 . . . . . . . . 4205 1 518 . 1 1 45 45 THR N N 15 121.93 0.25 . 1 . . . . . . . . 4205 1 519 . 1 1 46 46 GLU H H 1 9.48 0.03 . 1 . . . . . . . . 4205 1 520 . 1 1 46 46 GLU HA H 1 4.42 0.03 . 1 . . . . . . . . 4205 1 521 . 1 1 46 46 GLU HB2 H 1 2.02 0.03 . 1 . . . . . . . . 4205 1 522 . 1 1 46 46 GLU HB3 H 1 2.02 0.03 . 1 . . . . . . . . 4205 1 523 . 1 1 46 46 GLU HG2 H 1 2.22 0.03 . 1 . . . . . . . . 4205 1 524 . 1 1 46 46 GLU HG3 H 1 2.22 0.03 . 1 . . . . . . . . 4205 1 525 . 1 1 46 46 GLU C C 13 179.41 0.50 . 1 . . . . . . . . 4205 1 526 . 1 1 46 46 GLU CA C 13 59.54 0.50 . 1 . . . . . . . . 4205 1 527 . 1 1 46 46 GLU CB C 13 29.38 0.50 . 1 . . . . . . . . 4205 1 528 . 1 1 46 46 GLU CG C 13 36.24 0.50 . 1 . . . . . . . . 4205 1 529 . 1 1 46 46 GLU N N 15 118.69 0.25 . 1 . . . . . . . . 4205 1 530 . 1 1 47 47 THR H H 1 7.77 0.03 . 1 . . . . . . . . 4205 1 531 . 1 1 47 47 THR HA H 1 3.89 0.03 . 1 . . . . . . . . 4205 1 532 . 1 1 47 47 THR HB H 1 3.75 0.03 . 1 . . . . . . . . 4205 1 533 . 1 1 47 47 THR HG21 H 1 1.14 0.03 . 1 . . . . . . . . 4205 1 534 . 1 1 47 47 THR HG22 H 1 1.14 0.03 . 1 . . . . . . . . 4205 1 535 . 1 1 47 47 THR HG23 H 1 1.14 0.03 . 1 . . . . . . . . 4205 1 536 . 1 1 47 47 THR C C 13 174.88 0.50 . 1 . . . . . . . . 4205 1 537 . 1 1 47 47 THR CA C 13 66.38 0.50 . 1 . . . . . . . . 4205 1 538 . 1 1 47 47 THR CB C 13 68.18 0.50 . 1 . . . . . . . . 4205 1 539 . 1 1 47 47 THR CG2 C 13 21.89 0.50 . 1 . . . . . . . . 4205 1 540 . 1 1 47 47 THR N N 15 116.66 0.25 . 1 . . . . . . . . 4205 1 541 . 1 1 48 48 HIS H H 1 7.04 0.03 . 1 . . . . . . . . 4205 1 542 . 1 1 48 48 HIS HA H 1 4.27 0.03 . 1 . . . . . . . . 4205 1 543 . 1 1 48 48 HIS HB2 H 1 2.24 0.03 . 1 . . . . . . . . 4205 1 544 . 1 1 48 48 HIS HB3 H 1 3.49 0.03 . 1 . . . . . . . . 4205 1 545 . 1 1 48 48 HIS HD2 H 1 7.26 0.03 . 1 . . . . . . . . 4205 1 546 . 1 1 48 48 HIS HE1 H 1 7.90 0.03 . 1 . . . . . . . . 4205 1 547 . 1 1 48 48 HIS C C 13 177.37 0.50 . 1 . . . . . . . . 4205 1 548 . 1 1 48 48 HIS CA C 13 58.82 0.50 . 1 . . . . . . . . 4205 1 549 . 1 1 48 48 HIS CB C 13 31.25 0.50 . 1 . . . . . . . . 4205 1 550 . 1 1 48 48 HIS CD2 C 13 116.22 0.50 . 1 . . . . . . . . 4205 1 551 . 1 1 48 48 HIS CE1 C 13 137.97 0.50 . 1 . . . . . . . . 4205 1 552 . 1 1 48 48 HIS N N 15 123.14 0.25 . 1 . . . . . . . . 4205 1 553 . 1 1 48 48 HIS ND1 N 15 255.30 0.25 . 1 . . . . . . . . 4205 1 554 . 1 1 48 48 HIS NE2 N 15 166.32 0.25 . 1 . . . . . . . . 4205 1 555 . 1 1 49 49 VAL H H 1 8.28 0.03 . 1 . . . . . . . . 4205 1 556 . 1 1 49 49 VAL HA H 1 4.07 0.03 . 1 . . . . . . . . 4205 1 557 . 1 1 49 49 VAL HB H 1 2.69 0.03 . 1 . . . . . . . . 4205 1 558 . 1 1 49 49 VAL HG11 H 1 1.67 0.03 . 1 . . . . . . . . 4205 1 559 . 1 1 49 49 VAL HG12 H 1 1.67 0.03 . 1 . . . . . . . . 4205 1 560 . 1 1 49 49 VAL HG13 H 1 1.67 0.03 . 1 . . . . . . . . 4205 1 561 . 1 1 49 49 VAL HG21 H 1 1.61 0.03 . 1 . . . . . . . . 4205 1 562 . 1 1 49 49 VAL HG22 H 1 1.61 0.03 . 1 . . . . . . . . 4205 1 563 . 1 1 49 49 VAL HG23 H 1 1.61 0.03 . 1 . . . . . . . . 4205 1 564 . 1 1 49 49 VAL C C 13 177.67 0.50 . 1 . . . . . . . . 4205 1 565 . 1 1 49 49 VAL CA C 13 67.15 0.50 . 1 . . . . . . . . 4205 1 566 . 1 1 49 49 VAL CB C 13 32.88 0.50 . 1 . . . . . . . . 4205 1 567 . 1 1 49 49 VAL CG1 C 13 23.19 0.50 . 1 . . . . . . . . 4205 1 568 . 1 1 49 49 VAL CG2 C 13 23.55 0.50 . 1 . . . . . . . . 4205 1 569 . 1 1 49 49 VAL N N 15 116.35 0.25 . 1 . . . . . . . . 4205 1 570 . 1 1 50 50 ARG H H 1 7.83 0.03 . 1 . . . . . . . . 4205 1 571 . 1 1 50 50 ARG HA H 1 3.95 0.03 . 1 . . . . . . . . 4205 1 572 . 1 1 50 50 ARG HB2 H 1 2.07 0.03 . 2 . . . . . . . . 4205 1 573 . 1 1 50 50 ARG HB3 H 1 2.18 0.03 . 2 . . . . . . . . 4205 1 574 . 1 1 50 50 ARG HG2 H 1 1.53 0.03 . 2 . . . . . . . . 4205 1 575 . 1 1 50 50 ARG HG3 H 1 1.72 0.03 . 2 . . . . . . . . 4205 1 576 . 1 1 50 50 ARG HD2 H 1 3.15 0.03 . 1 . . . . . . . . 4205 1 577 . 1 1 50 50 ARG HD3 H 1 3.15 0.03 . 1 . . . . . . . . 4205 1 578 . 1 1 50 50 ARG C C 13 177.85 0.50 . 1 . . . . . . . . 4205 1 579 . 1 1 50 50 ARG CA C 13 60.03 0.50 . 1 . . . . . . . . 4205 1 580 . 1 1 50 50 ARG CB C 13 29.41 0.50 . 1 . . . . . . . . 4205 1 581 . 1 1 50 50 ARG CG C 13 27.18 0.50 . 1 . . . . . . . . 4205 1 582 . 1 1 50 50 ARG CD C 13 43.30 0.50 . 1 . . . . . . . . 4205 1 583 . 1 1 50 50 ARG N N 15 119.39 0.25 . 1 . . . . . . . . 4205 1 584 . 1 1 51 51 ASP H H 1 8.45 0.03 . 1 . . . . . . . . 4205 1 585 . 1 1 51 51 ASP HA H 1 4.44 0.03 . 1 . . . . . . . . 4205 1 586 . 1 1 51 51 ASP HB2 H 1 2.50 0.03 . 1 . . . . . . . . 4205 1 587 . 1 1 51 51 ASP HB3 H 1 2.85 0.03 . 1 . . . . . . . . 4205 1 588 . 1 1 51 51 ASP C C 13 179.63 0.50 . 1 . . . . . . . . 4205 1 589 . 1 1 51 51 ASP CA C 13 57.83 0.50 . 1 . . . . . . . . 4205 1 590 . 1 1 51 51 ASP CB C 13 40.96 0.50 . 1 . . . . . . . . 4205 1 591 . 1 1 51 51 ASP N N 15 119.71 0.25 . 1 . . . . . . . . 4205 1 592 . 1 1 52 52 TRP H H 1 8.49 0.03 . 1 . . . . . . . . 4205 1 593 . 1 1 52 52 TRP HA H 1 4.52 0.03 . 1 . . . . . . . . 4205 1 594 . 1 1 52 52 TRP HB2 H 1 3.76 0.03 . 1 . . . . . . . . 4205 1 595 . 1 1 52 52 TRP HB3 H 1 2.76 0.03 . 1 . . . . . . . . 4205 1 596 . 1 1 52 52 TRP HD1 H 1 6.03 0.03 . 1 . . . . . . . . 4205 1 597 . 1 1 52 52 TRP HE1 H 1 11.70 0.03 . 1 . . . . . . . . 4205 1 598 . 1 1 52 52 TRP HE3 H 1 8.07 0.03 . 1 . . . . . . . . 4205 1 599 . 1 1 52 52 TRP HZ2 H 1 7.79 0.03 . 1 . . . . . . . . 4205 1 600 . 1 1 52 52 TRP HZ3 H 1 7.09 0.03 . 1 . . . . . . . . 4205 1 601 . 1 1 52 52 TRP HH2 H 1 7.12 0.03 . 1 . . . . . . . . 4205 1 602 . 1 1 52 52 TRP C C 13 176.43 0.50 . 1 . . . . . . . . 4205 1 603 . 1 1 52 52 TRP CA C 13 61.47 0.50 . 1 . . . . . . . . 4205 1 604 . 1 1 52 52 TRP CB C 13 27.94 0.50 . 1 . . . . . . . . 4205 1 605 . 1 1 52 52 TRP CD1 C 13 126.22 0.50 . 1 . . . . . . . . 4205 1 606 . 1 1 52 52 TRP CE3 C 13 121.48 0.50 . 1 . . . . . . . . 4205 1 607 . 1 1 52 52 TRP CZ2 C 13 114.37 0.50 . 1 . . . . . . . . 4205 1 608 . 1 1 52 52 TRP CZ3 C 13 120.08 0.50 . 1 . . . . . . . . 4205 1 609 . 1 1 52 52 TRP CH2 C 13 123.69 0.50 . 1 . . . . . . . . 4205 1 610 . 1 1 52 52 TRP N N 15 124.58 0.25 . 1 . . . . . . . . 4205 1 611 . 1 1 52 52 TRP NE1 N 15 135.33 0.25 . 1 . . . . . . . . 4205 1 612 . 1 1 53 53 VAL H H 1 8.70 0.03 . 1 . . . . . . . . 4205 1 613 . 1 1 53 53 VAL HA H 1 2.65 0.03 . 1 . . . . . . . . 4205 1 614 . 1 1 53 53 VAL HB H 1 1.85 0.03 . 1 . . . . . . . . 4205 1 615 . 1 1 53 53 VAL HG11 H 1 0.35 0.03 . 1 . . . . . . . . 4205 1 616 . 1 1 53 53 VAL HG12 H 1 0.35 0.03 . 1 . . . . . . . . 4205 1 617 . 1 1 53 53 VAL HG13 H 1 0.35 0.03 . 1 . . . . . . . . 4205 1 618 . 1 1 53 53 VAL HG21 H 1 0.35 0.03 . 1 . . . . . . . . 4205 1 619 . 1 1 53 53 VAL HG22 H 1 0.35 0.03 . 1 . . . . . . . . 4205 1 620 . 1 1 53 53 VAL HG23 H 1 0.35 0.03 . 1 . . . . . . . . 4205 1 621 . 1 1 53 53 VAL C C 13 178.25 0.50 . 1 . . . . . . . . 4205 1 622 . 1 1 53 53 VAL CA C 13 66.79 0.50 . 1 . . . . . . . . 4205 1 623 . 1 1 53 53 VAL CB C 13 31.04 0.50 . 1 . . . . . . . . 4205 1 624 . 1 1 53 53 VAL CG1 C 13 22.23 0.50 . 1 . . . . . . . . 4205 1 625 . 1 1 53 53 VAL CG2 C 13 23.09 0.50 . 1 . . . . . . . . 4205 1 626 . 1 1 53 53 VAL N N 15 119.71 0.25 . 1 . . . . . . . . 4205 1 627 . 1 1 54 54 MET H H 1 8.86 0.03 . 1 . . . . . . . . 4205 1 628 . 1 1 54 54 MET HA H 1 4.07 0.03 . 1 . . . . . . . . 4205 1 629 . 1 1 54 54 MET HB2 H 1 2.14 0.03 . 1 . . . . . . . . 4205 1 630 . 1 1 54 54 MET HB3 H 1 2.26 0.03 . 1 . . . . . . . . 4205 1 631 . 1 1 54 54 MET HG2 H 1 2.57 0.03 . 1 . . . . . . . . 4205 1 632 . 1 1 54 54 MET HG3 H 1 2.57 0.03 . 1 . . . . . . . . 4205 1 633 . 1 1 54 54 MET HE1 H 1 1.83 0.03 . 1 . . . . . . . . 4205 1 634 . 1 1 54 54 MET HE2 H 1 1.83 0.03 . 1 . . . . . . . . 4205 1 635 . 1 1 54 54 MET HE3 H 1 1.83 0.03 . 1 . . . . . . . . 4205 1 636 . 1 1 54 54 MET C C 13 178.47 0.50 . 1 . . . . . . . . 4205 1 637 . 1 1 54 54 MET CA C 13 59.12 0.50 . 1 . . . . . . . . 4205 1 638 . 1 1 54 54 MET CB C 13 32.35 0.50 . 1 . . . . . . . . 4205 1 639 . 1 1 54 54 MET CG C 13 32.68 0.50 . 1 . . . . . . . . 4205 1 640 . 1 1 54 54 MET CE C 13 16.77 0.50 . 1 . . . . . . . . 4205 1 641 . 1 1 54 54 MET N N 15 117.78 0.25 . 1 . . . . . . . . 4205 1 642 . 1 1 55 55 TRP H H 1 8.17 0.03 . 1 . . . . . . . . 4205 1 643 . 1 1 55 55 TRP HA H 1 4.14 0.03 . 1 . . . . . . . . 4205 1 644 . 1 1 55 55 TRP HB2 H 1 4.04 0.03 . 1 . . . . . . . . 4205 1 645 . 1 1 55 55 TRP HB3 H 1 3.50 0.03 . 1 . . . . . . . . 4205 1 646 . 1 1 55 55 TRP HD1 H 1 7.35 0.03 . 1 . . . . . . . . 4205 1 647 . 1 1 55 55 TRP HE1 H 1 10.28 0.03 . 1 . . . . . . . . 4205 1 648 . 1 1 55 55 TRP HE3 H 1 7.62 0.03 . 1 . . . . . . . . 4205 1 649 . 1 1 55 55 TRP HZ2 H 1 7.37 0.03 . 1 . . . . . . . . 4205 1 650 . 1 1 55 55 TRP HZ3 H 1 7.25 0.03 . 1 . . . . . . . . 4205 1 651 . 1 1 55 55 TRP HH2 H 1 7.17 0.03 . 1 . . . . . . . . 4205 1 652 . 1 1 55 55 TRP C C 13 177.72 0.50 . 1 . . . . . . . . 4205 1 653 . 1 1 55 55 TRP CA C 13 62.22 0.50 . 1 . . . . . . . . 4205 1 654 . 1 1 55 55 TRP CB C 13 27.42 0.50 . 1 . . . . . . . . 4205 1 655 . 1 1 55 55 TRP CD1 C 13 127.52 0.50 . 1 . . . . . . . . 4205 1 656 . 1 1 55 55 TRP CZ2 C 13 114.19 0.50 . 1 . . . . . . . . 4205 1 657 . 1 1 55 55 TRP CZ3 C 13 122.00 0.50 . 1 . . . . . . . . 4205 1 658 . 1 1 55 55 TRP CH2 C 13 123.69 0.50 . 1 . . . . . . . . 4205 1 659 . 1 1 55 55 TRP N N 15 121.78 0.25 . 1 . . . . . . . . 4205 1 660 . 1 1 55 55 TRP NE1 N 15 130.47 0.25 . 1 . . . . . . . . 4205 1 661 . 1 1 56 56 ALA H H 1 8.45 0.03 . 1 . . . . . . . . 4205 1 662 . 1 1 56 56 ALA HA H 1 3.01 0.03 . 1 . . . . . . . . 4205 1 663 . 1 1 56 56 ALA HB1 H 1 1.18 0.03 . 1 . . . . . . . . 4205 1 664 . 1 1 56 56 ALA HB2 H 1 1.18 0.03 . 1 . . . . . . . . 4205 1 665 . 1 1 56 56 ALA HB3 H 1 1.18 0.03 . 1 . . . . . . . . 4205 1 666 . 1 1 56 56 ALA C C 13 179.51 0.50 . 1 . . . . . . . . 4205 1 667 . 1 1 56 56 ALA CA C 13 54.75 0.50 . 1 . . . . . . . . 4205 1 668 . 1 1 56 56 ALA CB C 13 17.95 0.50 . 1 . . . . . . . . 4205 1 669 . 1 1 56 56 ALA N N 15 123.70 0.25 . 1 . . . . . . . . 4205 1 670 . 1 1 57 57 VAL H H 1 8.85 0.03 . 1 . . . . . . . . 4205 1 671 . 1 1 57 57 VAL HA H 1 3.36 0.03 . 1 . . . . . . . . 4205 1 672 . 1 1 57 57 VAL HB H 1 2.33 0.03 . 1 . . . . . . . . 4205 1 673 . 1 1 57 57 VAL HG11 H 1 1.07 0.03 . 1 . . . . . . . . 4205 1 674 . 1 1 57 57 VAL HG12 H 1 1.07 0.03 . 1 . . . . . . . . 4205 1 675 . 1 1 57 57 VAL HG13 H 1 1.07 0.03 . 1 . . . . . . . . 4205 1 676 . 1 1 57 57 VAL HG21 H 1 1.02 0.03 . 1 . . . . . . . . 4205 1 677 . 1 1 57 57 VAL HG22 H 1 1.02 0.03 . 1 . . . . . . . . 4205 1 678 . 1 1 57 57 VAL HG23 H 1 1.02 0.03 . 1 . . . . . . . . 4205 1 679 . 1 1 57 57 VAL C C 13 178.58 0.50 . 1 . . . . . . . . 4205 1 680 . 1 1 57 57 VAL CA C 13 66.43 0.50 . 1 . . . . . . . . 4205 1 681 . 1 1 57 57 VAL CB C 13 31.56 0.50 . 1 . . . . . . . . 4205 1 682 . 1 1 57 57 VAL CG1 C 13 20.81 0.50 . 1 . . . . . . . . 4205 1 683 . 1 1 57 57 VAL CG2 C 13 23.54 0.50 . 1 . . . . . . . . 4205 1 684 . 1 1 57 57 VAL N N 15 117.82 0.25 . 1 . . . . . . . . 4205 1 685 . 1 1 58 58 ASN H H 1 7.54 0.03 . 1 . . . . . . . . 4205 1 686 . 1 1 58 58 ASN HA H 1 4.41 0.03 . 1 . . . . . . . . 4205 1 687 . 1 1 58 58 ASN HB2 H 1 2.69 0.03 . 2 . . . . . . . . 4205 1 688 . 1 1 58 58 ASN HB3 H 1 2.74 0.03 . 2 . . . . . . . . 4205 1 689 . 1 1 58 58 ASN HD21 H 1 7.72 0.03 . 1 . . . . . . . . 4205 1 690 . 1 1 58 58 ASN HD22 H 1 6.81 0.03 . 1 . . . . . . . . 4205 1 691 . 1 1 58 58 ASN C C 13 177.25 0.50 . 1 . . . . . . . . 4205 1 692 . 1 1 58 58 ASN CA C 13 55.78 0.50 . 1 . . . . . . . . 4205 1 693 . 1 1 58 58 ASN CB C 13 38.94 0.50 . 1 . . . . . . . . 4205 1 694 . 1 1 58 58 ASN CG C 13 176.21 0.50 . 1 . . . . . . . . 4205 1 695 . 1 1 58 58 ASN N N 15 116.05 0.25 . 1 . . . . . . . . 4205 1 696 . 1 1 58 58 ASN ND2 N 15 114.14 0.25 . 1 . . . . . . . . 4205 1 697 . 1 1 59 59 GLU H H 1 8.44 0.03 . 1 . . . . . . . . 4205 1 698 . 1 1 59 59 GLU HA H 1 3.53 0.03 . 1 . . . . . . . . 4205 1 699 . 1 1 59 59 GLU HB2 H 1 0.19 0.03 . 2 . . . . . . . . 4205 1 700 . 1 1 59 59 GLU HB3 H 1 0.51 0.03 . 2 . . . . . . . . 4205 1 701 . 1 1 59 59 GLU HG2 H 1 1.00 0.03 . 2 . . . . . . . . 4205 1 702 . 1 1 59 59 GLU HG3 H 1 1.43 0.03 . 2 . . . . . . . . 4205 1 703 . 1 1 59 59 GLU C C 13 178.24 0.50 . 1 . . . . . . . . 4205 1 704 . 1 1 59 59 GLU CA C 13 58.49 0.50 . 1 . . . . . . . . 4205 1 705 . 1 1 59 59 GLU CB C 13 28.62 0.50 . 1 . . . . . . . . 4205 1 706 . 1 1 59 59 GLU CG C 13 34.06 0.50 . 1 . . . . . . . . 4205 1 707 . 1 1 59 59 GLU N N 15 122.39 0.25 . 1 . . . . . . . . 4205 1 708 . 1 1 60 60 PHE H H 1 7.79 0.03 . 1 . . . . . . . . 4205 1 709 . 1 1 60 60 PHE HA H 1 4.64 0.03 . 1 . . . . . . . . 4205 1 710 . 1 1 60 60 PHE HB2 H 1 2.56 0.03 . 1 . . . . . . . . 4205 1 711 . 1 1 60 60 PHE HB3 H 1 3.40 0.03 . 1 . . . . . . . . 4205 1 712 . 1 1 60 60 PHE HD1 H 1 7.19 0.03 . 1 . . . . . . . . 4205 1 713 . 1 1 60 60 PHE HD2 H 1 7.19 0.03 . 1 . . . . . . . . 4205 1 714 . 1 1 60 60 PHE HE1 H 1 6.85 0.03 . 1 . . . . . . . . 4205 1 715 . 1 1 60 60 PHE HE2 H 1 6.85 0.03 . 1 . . . . . . . . 4205 1 716 . 1 1 60 60 PHE HZ H 1 7.16 0.03 . 1 . . . . . . . . 4205 1 717 . 1 1 60 60 PHE C C 13 174.39 0.50 . 1 . . . . . . . . 4205 1 718 . 1 1 60 60 PHE CA C 13 56.49 0.50 . 1 . . . . . . . . 4205 1 719 . 1 1 60 60 PHE CB C 13 38.52 0.50 . 1 . . . . . . . . 4205 1 720 . 1 1 60 60 PHE CD1 C 13 131.32 0.50 . 1 . . . . . . . . 4205 1 721 . 1 1 60 60 PHE CD2 C 13 131.32 0.50 . 1 . . . . . . . . 4205 1 722 . 1 1 60 60 PHE N N 15 112.51 0.25 . 1 . . . . . . . . 4205 1 723 . 1 1 61 61 SER H H 1 7.40 0.03 . 1 . . . . . . . . 4205 1 724 . 1 1 61 61 SER HA H 1 4.11 0.03 . 1 . . . . . . . . 4205 1 725 . 1 1 61 61 SER HB2 H 1 3.99 0.03 . 1 . . . . . . . . 4205 1 726 . 1 1 61 61 SER HB3 H 1 3.99 0.03 . 1 . . . . . . . . 4205 1 727 . 1 1 61 61 SER C C 13 174.53 0.50 . 1 . . . . . . . . 4205 1 728 . 1 1 61 61 SER CA C 13 58.19 0.50 . 1 . . . . . . . . 4205 1 729 . 1 1 61 61 SER CB C 13 61.04 0.50 . 1 . . . . . . . . 4205 1 730 . 1 1 61 61 SER N N 15 114.96 0.25 . 1 . . . . . . . . 4205 1 731 . 1 1 62 62 LEU H H 1 7.98 0.03 . 1 . . . . . . . . 4205 1 732 . 1 1 62 62 LEU HA H 1 4.40 0.03 . 1 . . . . . . . . 4205 1 733 . 1 1 62 62 LEU HB2 H 1 1.33 0.03 . 1 . . . . . . . . 4205 1 734 . 1 1 62 62 LEU HB3 H 1 1.33 0.03 . 1 . . . . . . . . 4205 1 735 . 1 1 62 62 LEU HG H 1 1.80 0.03 . 1 . . . . . . . . 4205 1 736 . 1 1 62 62 LEU HD11 H 1 0.72 0.03 . 1 . . . . . . . . 4205 1 737 . 1 1 62 62 LEU HD12 H 1 0.72 0.03 . 1 . . . . . . . . 4205 1 738 . 1 1 62 62 LEU HD13 H 1 0.72 0.03 . 1 . . . . . . . . 4205 1 739 . 1 1 62 62 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 740 . 1 1 62 62 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 741 . 1 1 62 62 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 742 . 1 1 62 62 LEU C C 13 177.21 0.50 . 1 . . . . . . . . 4205 1 743 . 1 1 62 62 LEU CA C 13 54.08 0.50 . 1 . . . . . . . . 4205 1 744 . 1 1 62 62 LEU CB C 13 41.88 0.50 . 1 . . . . . . . . 4205 1 745 . 1 1 62 62 LEU CG C 13 26.08 0.50 . 1 . . . . . . . . 4205 1 746 . 1 1 62 62 LEU CD1 C 13 24.74 0.50 . 1 . . . . . . . . 4205 1 747 . 1 1 62 62 LEU CD2 C 13 22.59 0.50 . 1 . . . . . . . . 4205 1 748 . 1 1 62 62 LEU N N 15 116.73 0.25 . 1 . . . . . . . . 4205 1 749 . 1 1 63 63 LYS H H 1 8.58 0.03 . 1 . . . . . . . . 4205 1 750 . 1 1 63 63 LYS HA H 1 4.61 0.03 . 1 . . . . . . . . 4205 1 751 . 1 1 63 63 LYS HB2 H 1 1.75 0.03 . 2 . . . . . . . . 4205 1 752 . 1 1 63 63 LYS HB3 H 1 1.79 0.03 . 2 . . . . . . . . 4205 1 753 . 1 1 63 63 LYS HG2 H 1 1.42 0.03 . 2 . . . . . . . . 4205 1 754 . 1 1 63 63 LYS HG3 H 1 1.49 0.03 . 2 . . . . . . . . 4205 1 755 . 1 1 63 63 LYS HD2 H 1 1.65 0.03 . 1 . . . . . . . . 4205 1 756 . 1 1 63 63 LYS HD3 H 1 1.65 0.03 . 1 . . . . . . . . 4205 1 757 . 1 1 63 63 LYS HE2 H 1 2.98 0.03 . 1 . . . . . . . . 4205 1 758 . 1 1 63 63 LYS HE3 H 1 2.98 0.03 . 1 . . . . . . . . 4205 1 759 . 1 1 63 63 LYS C C 13 176.85 0.50 . 1 . . . . . . . . 4205 1 760 . 1 1 63 63 LYS CA C 13 55.07 0.50 . 1 . . . . . . . . 4205 1 761 . 1 1 63 63 LYS CB C 13 34.40 0.50 . 1 . . . . . . . . 4205 1 762 . 1 1 63 63 LYS CG C 13 24.53 0.50 . 1 . . . . . . . . 4205 1 763 . 1 1 63 63 LYS CD C 13 28.72 0.50 . 1 . . . . . . . . 4205 1 764 . 1 1 63 63 LYS CE C 13 42.49 0.50 . 1 . . . . . . . . 4205 1 765 . 1 1 63 63 LYS N N 15 122.91 0.25 . 1 . . . . . . . . 4205 1 766 . 1 1 64 64 GLY H H 1 8.49 0.03 . 1 . . . . . . . . 4205 1 767 . 1 1 64 64 GLY HA2 H 1 3.68 0.03 . 2 . . . . . . . . 4205 1 768 . 1 1 64 64 GLY HA3 H 1 3.97 0.03 . 2 . . . . . . . . 4205 1 769 . 1 1 64 64 GLY C C 13 174.60 0.50 . 1 . . . . . . . . 4205 1 770 . 1 1 64 64 GLY CA C 13 45.90 0.50 . 1 . . . . . . . . 4205 1 771 . 1 1 64 64 GLY N N 15 108.34 0.25 . 1 . . . . . . . . 4205 1 772 . 1 1 65 65 VAL H H 1 8.10 0.03 . 1 . . . . . . . . 4205 1 773 . 1 1 65 65 VAL HA H 1 3.63 0.03 . 1 . . . . . . . . 4205 1 774 . 1 1 65 65 VAL HB H 1 1.73 0.03 . 1 . . . . . . . . 4205 1 775 . 1 1 65 65 VAL HG11 H 1 0.25 0.03 . 1 . . . . . . . . 4205 1 776 . 1 1 65 65 VAL HG12 H 1 0.25 0.03 . 1 . . . . . . . . 4205 1 777 . 1 1 65 65 VAL HG13 H 1 0.25 0.03 . 1 . . . . . . . . 4205 1 778 . 1 1 65 65 VAL HG21 H 1 0.57 0.03 . 1 . . . . . . . . 4205 1 779 . 1 1 65 65 VAL HG22 H 1 0.57 0.03 . 1 . . . . . . . . 4205 1 780 . 1 1 65 65 VAL HG23 H 1 0.57 0.03 . 1 . . . . . . . . 4205 1 781 . 1 1 65 65 VAL C C 13 174.66 0.50 . 1 . . . . . . . . 4205 1 782 . 1 1 65 65 VAL CA C 13 63.52 0.50 . 1 . . . . . . . . 4205 1 783 . 1 1 65 65 VAL CB C 13 31.38 0.50 . 1 . . . . . . . . 4205 1 784 . 1 1 65 65 VAL CG1 C 13 20.62 0.50 . 1 . . . . . . . . 4205 1 785 . 1 1 65 65 VAL CG2 C 13 23.38 0.50 . 1 . . . . . . . . 4205 1 786 . 1 1 65 65 VAL N N 15 120.82 0.25 . 1 . . . . . . . . 4205 1 787 . 1 1 66 66 ASP H H 1 9.00 0.03 . 1 . . . . . . . . 4205 1 788 . 1 1 66 66 ASP HA H 1 4.79 0.03 . 1 . . . . . . . . 4205 1 789 . 1 1 66 66 ASP HB2 H 1 2.55 0.03 . 1 . . . . . . . . 4205 1 790 . 1 1 66 66 ASP HB3 H 1 2.96 0.03 . 1 . . . . . . . . 4205 1 791 . 1 1 66 66 ASP C C 13 177.36 0.50 . 1 . . . . . . . . 4205 1 792 . 1 1 66 66 ASP CA C 13 51.81 0.50 . 1 . . . . . . . . 4205 1 793 . 1 1 66 66 ASP CB C 13 40.98 0.50 . 1 . . . . . . . . 4205 1 794 . 1 1 66 66 ASP N N 15 128.47 0.25 . 1 . . . . . . . . 4205 1 795 . 1 1 67 67 PHE H H 1 8.50 0.03 . 1 . . . . . . . . 4205 1 796 . 1 1 67 67 PHE HA H 1 4.15 0.03 . 1 . . . . . . . . 4205 1 797 . 1 1 67 67 PHE HB2 H 1 3.04 0.03 . 1 . . . . . . . . 4205 1 798 . 1 1 67 67 PHE HB3 H 1 3.21 0.03 . 1 . . . . . . . . 4205 1 799 . 1 1 67 67 PHE HD1 H 1 7.29 0.03 . 1 . . . . . . . . 4205 1 800 . 1 1 67 67 PHE HD2 H 1 7.29 0.03 . 1 . . . . . . . . 4205 1 801 . 1 1 67 67 PHE HE1 H 1 7.12 0.03 . 1 . . . . . . . . 4205 1 802 . 1 1 67 67 PHE HE2 H 1 7.12 0.03 . 1 . . . . . . . . 4205 1 803 . 1 1 67 67 PHE HZ H 1 7.18 0.03 . 1 . . . . . . . . 4205 1 804 . 1 1 67 67 PHE C C 13 178.56 0.50 . 1 . . . . . . . . 4205 1 805 . 1 1 67 67 PHE CA C 13 61.60 0.50 . 1 . . . . . . . . 4205 1 806 . 1 1 67 67 PHE CB C 13 38.42 0.50 . 1 . . . . . . . . 4205 1 807 . 1 1 67 67 PHE CD1 C 13 130.98 0.50 . 1 . . . . . . . . 4205 1 808 . 1 1 67 67 PHE CD2 C 13 130.98 0.50 . 1 . . . . . . . . 4205 1 809 . 1 1 67 67 PHE N N 15 123.85 0.25 . 1 . . . . . . . . 4205 1 810 . 1 1 68 68 GLN H H 1 8.56 0.03 . 1 . . . . . . . . 4205 1 811 . 1 1 68 68 GLN HA H 1 4.24 0.03 . 1 . . . . . . . . 4205 1 812 . 1 1 68 68 GLN HB2 H 1 2.20 0.03 . 2 . . . . . . . . 4205 1 813 . 1 1 68 68 GLN HB3 H 1 2.23 0.03 . 2 . . . . . . . . 4205 1 814 . 1 1 68 68 GLN HG2 H 1 2.42 0.03 . 2 . . . . . . . . 4205 1 815 . 1 1 68 68 GLN HG3 H 1 2.49 0.03 . 2 . . . . . . . . 4205 1 816 . 1 1 68 68 GLN HE21 H 1 7.74 0.03 . 1 . . . . . . . . 4205 1 817 . 1 1 68 68 GLN HE22 H 1 6.87 0.03 . 1 . . . . . . . . 4205 1 818 . 1 1 68 68 GLN C C 13 178.68 0.50 . 1 . . . . . . . . 4205 1 819 . 1 1 68 68 GLN CA C 13 58.24 0.50 . 1 . . . . . . . . 4205 1 820 . 1 1 68 68 GLN CB C 13 28.29 0.50 . 1 . . . . . . . . 4205 1 821 . 1 1 68 68 GLN CG C 13 34.25 0.50 . 1 . . . . . . . . 4205 1 822 . 1 1 68 68 GLN CD C 13 180.36 0.50 . 1 . . . . . . . . 4205 1 823 . 1 1 68 68 GLN N N 15 118.61 0.25 . 1 . . . . . . . . 4205 1 824 . 1 1 68 68 GLN NE2 N 15 112.44 0.25 . 1 . . . . . . . . 4205 1 825 . 1 1 69 69 LYS H H 1 7.54 0.03 . 1 . . . . . . . . 4205 1 826 . 1 1 69 69 LYS HA H 1 3.98 0.03 . 1 . . . . . . . . 4205 1 827 . 1 1 69 69 LYS HB2 H 1 1.80 0.03 . 1 . . . . . . . . 4205 1 828 . 1 1 69 69 LYS HB3 H 1 1.80 0.03 . 1 . . . . . . . . 4205 1 829 . 1 1 69 69 LYS HG2 H 1 1.33 0.03 . 1 . . . . . . . . 4205 1 830 . 1 1 69 69 LYS HG3 H 1 1.33 0.03 . 1 . . . . . . . . 4205 1 831 . 1 1 69 69 LYS HD2 H 1 1.59 0.03 . 2 . . . . . . . . 4205 1 832 . 1 1 69 69 LYS HD3 H 1 1.66 0.03 . 2 . . . . . . . . 4205 1 833 . 1 1 69 69 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 4205 1 834 . 1 1 69 69 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 4205 1 835 . 1 1 69 69 LYS C C 13 175.91 0.50 . 1 . . . . . . . . 4205 1 836 . 1 1 69 69 LYS CA C 13 57.53 0.50 . 1 . . . . . . . . 4205 1 837 . 1 1 69 69 LYS CB C 13 32.23 0.50 . 1 . . . . . . . . 4205 1 838 . 1 1 69 69 LYS CG C 13 25.81 0.50 . 1 . . . . . . . . 4205 1 839 . 1 1 69 69 LYS CD C 13 28.91 0.50 . 1 . . . . . . . . 4205 1 840 . 1 1 69 69 LYS CE C 13 42.21 0.50 . 1 . . . . . . . . 4205 1 841 . 1 1 69 69 LYS N N 15 117.00 0.25 . 1 . . . . . . . . 4205 1 842 . 1 1 70 70 PHE H H 1 7.28 0.03 . 1 . . . . . . . . 4205 1 843 . 1 1 70 70 PHE HA H 1 4.40 0.03 . 1 . . . . . . . . 4205 1 844 . 1 1 70 70 PHE HB2 H 1 2.75 0.03 . 1 . . . . . . . . 4205 1 845 . 1 1 70 70 PHE HB3 H 1 3.67 0.03 . 1 . . . . . . . . 4205 1 846 . 1 1 70 70 PHE HD1 H 1 7.13 0.03 . 1 . . . . . . . . 4205 1 847 . 1 1 70 70 PHE HD2 H 1 7.13 0.03 . 1 . . . . . . . . 4205 1 848 . 1 1 70 70 PHE HE1 H 1 6.98 0.03 . 1 . . . . . . . . 4205 1 849 . 1 1 70 70 PHE HE2 H 1 6.98 0.03 . 1 . . . . . . . . 4205 1 850 . 1 1 70 70 PHE HZ H 1 6.65 0.03 . 1 . . . . . . . . 4205 1 851 . 1 1 70 70 PHE C C 13 174.98 0.50 . 1 . . . . . . . . 4205 1 852 . 1 1 70 70 PHE CA C 13 57.84 0.50 . 1 . . . . . . . . 4205 1 853 . 1 1 70 70 PHE CB C 13 39.25 0.50 . 1 . . . . . . . . 4205 1 854 . 1 1 70 70 PHE CD1 C 13 130.58 0.50 . 1 . . . . . . . . 4205 1 855 . 1 1 70 70 PHE CD2 C 13 130.58 0.50 . 1 . . . . . . . . 4205 1 856 . 1 1 70 70 PHE CE1 C 13 130.94 0.50 . 1 . . . . . . . . 4205 1 857 . 1 1 70 70 PHE CE2 C 13 130.94 0.50 . 1 . . . . . . . . 4205 1 858 . 1 1 70 70 PHE CZ C 13 128.75 0.50 . 1 . . . . . . . . 4205 1 859 . 1 1 70 70 PHE N N 15 113.73 0.25 . 1 . . . . . . . . 4205 1 860 . 1 1 71 71 CYS H H 1 7.22 0.03 . 1 . . . . . . . . 4205 1 861 . 1 1 71 71 CYS HA H 1 4.73 0.03 . 1 . . . . . . . . 4205 1 862 . 1 1 71 71 CYS HB2 H 1 2.86 0.03 . 2 . . . . . . . . 4205 1 863 . 1 1 71 71 CYS HB3 H 1 3.06 0.03 . 2 . . . . . . . . 4205 1 864 . 1 1 71 71 CYS C C 13 172.73 0.50 . 1 . . . . . . . . 4205 1 865 . 1 1 71 71 CYS CA C 13 59.04 0.50 . 1 . . . . . . . . 4205 1 866 . 1 1 71 71 CYS CB C 13 25.52 0.50 . 1 . . . . . . . . 4205 1 867 . 1 1 71 71 CYS N N 15 119.92 0.25 . 1 . . . . . . . . 4205 1 868 . 1 1 72 72 MET H H 1 8.47 0.03 . 1 . . . . . . . . 4205 1 869 . 1 1 72 72 MET HA H 1 4.77 0.03 . 1 . . . . . . . . 4205 1 870 . 1 1 72 72 MET HB2 H 1 2.21 0.03 . 1 . . . . . . . . 4205 1 871 . 1 1 72 72 MET HB3 H 1 2.21 0.03 . 1 . . . . . . . . 4205 1 872 . 1 1 72 72 MET HG2 H 1 2.80 0.03 . 1 . . . . . . . . 4205 1 873 . 1 1 72 72 MET HG3 H 1 2.80 0.03 . 1 . . . . . . . . 4205 1 874 . 1 1 72 72 MET HE1 H 1 2.06 0.03 . 1 . . . . . . . . 4205 1 875 . 1 1 72 72 MET HE2 H 1 2.06 0.03 . 1 . . . . . . . . 4205 1 876 . 1 1 72 72 MET HE3 H 1 2.06 0.03 . 1 . . . . . . . . 4205 1 877 . 1 1 72 72 MET C C 13 172.25 0.50 . 1 . . . . . . . . 4205 1 878 . 1 1 72 72 MET CA C 13 54.38 0.50 . 1 . . . . . . . . 4205 1 879 . 1 1 72 72 MET CB C 13 35.24 0.50 . 1 . . . . . . . . 4205 1 880 . 1 1 72 72 MET CG C 13 30.29 0.50 . 1 . . . . . . . . 4205 1 881 . 1 1 72 72 MET CE C 13 17.03 0.50 . 1 . . . . . . . . 4205 1 882 . 1 1 72 72 MET N N 15 123.50 0.25 . 1 . . . . . . . . 4205 1 883 . 1 1 73 73 SER H H 1 8.52 0.03 . 1 . . . . . . . . 4205 1 884 . 1 1 73 73 SER HA H 1 4.19 0.03 . 1 . . . . . . . . 4205 1 885 . 1 1 73 73 SER HB2 H 1 4.52 0.03 . 1 . . . . . . . . 4205 1 886 . 1 1 73 73 SER HB3 H 1 4.52 0.03 . 1 . . . . . . . . 4205 1 887 . 1 1 73 73 SER C C 13 174.92 0.50 . 1 . . . . . . . . 4205 1 888 . 1 1 73 73 SER CA C 13 57.76 0.50 . 1 . . . . . . . . 4205 1 889 . 1 1 73 73 SER CB C 13 64.74 0.50 . 1 . . . . . . . . 4205 1 890 . 1 1 73 73 SER N N 15 112.87 0.25 . 1 . . . . . . . . 4205 1 891 . 1 1 74 74 GLY H H 1 8.85 0.03 . 1 . . . . . . . . 4205 1 892 . 1 1 74 74 GLY HA2 H 1 3.72 0.03 . 2 . . . . . . . . 4205 1 893 . 1 1 74 74 GLY HA3 H 1 4.67 0.03 . 2 . . . . . . . . 4205 1 894 . 1 1 74 74 GLY C C 13 176.04 0.50 . 1 . . . . . . . . 4205 1 895 . 1 1 74 74 GLY CA C 13 47.51 0.50 . 1 . . . . . . . . 4205 1 896 . 1 1 74 74 GLY N N 15 108.01 0.25 . 1 . . . . . . . . 4205 1 897 . 1 1 75 75 ALA H H 1 8.44 0.03 . 1 . . . . . . . . 4205 1 898 . 1 1 75 75 ALA HA H 1 3.87 0.03 . 1 . . . . . . . . 4205 1 899 . 1 1 75 75 ALA HB1 H 1 1.46 0.03 . 1 . . . . . . . . 4205 1 900 . 1 1 75 75 ALA HB2 H 1 1.46 0.03 . 1 . . . . . . . . 4205 1 901 . 1 1 75 75 ALA HB3 H 1 1.46 0.03 . 1 . . . . . . . . 4205 1 902 . 1 1 75 75 ALA C C 13 180.42 0.50 . 1 . . . . . . . . 4205 1 903 . 1 1 75 75 ALA CA C 13 55.09 0.50 . 1 . . . . . . . . 4205 1 904 . 1 1 75 75 ALA CB C 13 17.74 0.50 . 1 . . . . . . . . 4205 1 905 . 1 1 75 75 ALA N N 15 123.01 0.25 . 1 . . . . . . . . 4205 1 906 . 1 1 76 76 ALA H H 1 7.62 0.03 . 1 . . . . . . . . 4205 1 907 . 1 1 76 76 ALA HA H 1 4.07 0.03 . 1 . . . . . . . . 4205 1 908 . 1 1 76 76 ALA HB1 H 1 1.50 0.03 . 1 . . . . . . . . 4205 1 909 . 1 1 76 76 ALA HB2 H 1 1.50 0.03 . 1 . . . . . . . . 4205 1 910 . 1 1 76 76 ALA HB3 H 1 1.50 0.03 . 1 . . . . . . . . 4205 1 911 . 1 1 76 76 ALA C C 13 177.73 0.50 . 1 . . . . . . . . 4205 1 912 . 1 1 76 76 ALA CA C 13 54.58 0.50 . 1 . . . . . . . . 4205 1 913 . 1 1 76 76 ALA CB C 13 18.44 0.50 . 1 . . . . . . . . 4205 1 914 . 1 1 76 76 ALA N N 15 121.33 0.25 . 1 . . . . . . . . 4205 1 915 . 1 1 77 77 LEU H H 1 8.32 0.03 . 1 . . . . . . . . 4205 1 916 . 1 1 77 77 LEU HA H 1 4.30 0.03 . 1 . . . . . . . . 4205 1 917 . 1 1 77 77 LEU HB2 H 1 2.08 0.03 . 1 . . . . . . . . 4205 1 918 . 1 1 77 77 LEU HB3 H 1 1.77 0.03 . 1 . . . . . . . . 4205 1 919 . 1 1 77 77 LEU HG H 1 1.90 0.03 . 1 . . . . . . . . 4205 1 920 . 1 1 77 77 LEU HD11 H 1 1.39 0.03 . 1 . . . . . . . . 4205 1 921 . 1 1 77 77 LEU HD12 H 1 1.39 0.03 . 1 . . . . . . . . 4205 1 922 . 1 1 77 77 LEU HD13 H 1 1.39 0.03 . 1 . . . . . . . . 4205 1 923 . 1 1 77 77 LEU HD21 H 1 1.26 0.03 . 1 . . . . . . . . 4205 1 924 . 1 1 77 77 LEU HD22 H 1 1.26 0.03 . 1 . . . . . . . . 4205 1 925 . 1 1 77 77 LEU HD23 H 1 1.26 0.03 . 1 . . . . . . . . 4205 1 926 . 1 1 77 77 LEU C C 13 179.17 0.50 . 1 . . . . . . . . 4205 1 927 . 1 1 77 77 LEU CA C 13 58.14 0.50 . 1 . . . . . . . . 4205 1 928 . 1 1 77 77 LEU CB C 13 43.84 0.50 . 1 . . . . . . . . 4205 1 929 . 1 1 77 77 LEU CG C 13 26.63 0.50 . 1 . . . . . . . . 4205 1 930 . 1 1 77 77 LEU CD1 C 13 25.20 0.50 . 1 . . . . . . . . 4205 1 931 . 1 1 77 77 LEU CD2 C 13 27.69 0.50 . 1 . . . . . . . . 4205 1 932 . 1 1 77 77 LEU N N 15 120.91 0.25 . 1 . . . . . . . . 4205 1 933 . 1 1 78 78 CYS H H 1 8.24 0.03 . 1 . . . . . . . . 4205 1 934 . 1 1 78 78 CYS HA H 1 3.97 0.03 . 1 . . . . . . . . 4205 1 935 . 1 1 78 78 CYS HB2 H 1 2.66 0.03 . 1 . . . . . . . . 4205 1 936 . 1 1 78 78 CYS HB3 H 1 2.66 0.03 . 1 . . . . . . . . 4205 1 937 . 1 1 78 78 CYS C C 13 175.36 0.50 . 1 . . . . . . . . 4205 1 938 . 1 1 78 78 CYS CA C 13 62.87 0.50 . 1 . . . . . . . . 4205 1 939 . 1 1 78 78 CYS CB C 13 27.22 0.50 . 1 . . . . . . . . 4205 1 940 . 1 1 78 78 CYS N N 15 112.59 0.25 . 1 . . . . . . . . 4205 1 941 . 1 1 79 79 ALA H H 1 7.37 0.03 . 1 . . . . . . . . 4205 1 942 . 1 1 79 79 ALA HA H 1 4.36 0.03 . 1 . . . . . . . . 4205 1 943 . 1 1 79 79 ALA HB1 H 1 1.47 0.03 . 1 . . . . . . . . 4205 1 944 . 1 1 79 79 ALA HB2 H 1 1.47 0.03 . 1 . . . . . . . . 4205 1 945 . 1 1 79 79 ALA HB3 H 1 1.47 0.03 . 1 . . . . . . . . 4205 1 946 . 1 1 79 79 ALA C C 13 178.12 0.50 . 1 . . . . . . . . 4205 1 947 . 1 1 79 79 ALA CA C 13 52.14 0.50 . 1 . . . . . . . . 4205 1 948 . 1 1 79 79 ALA CB C 13 19.20 0.50 . 1 . . . . . . . . 4205 1 949 . 1 1 79 79 ALA N N 15 119.76 0.25 . 1 . . . . . . . . 4205 1 950 . 1 1 80 80 LEU H H 1 7.35 0.03 . 1 . . . . . . . . 4205 1 951 . 1 1 80 80 LEU HA H 1 4.14 0.03 . 1 . . . . . . . . 4205 1 952 . 1 1 80 80 LEU HB2 H 1 1.49 0.03 . 1 . . . . . . . . 4205 1 953 . 1 1 80 80 LEU HB3 H 1 2.20 0.03 . 1 . . . . . . . . 4205 1 954 . 1 1 80 80 LEU HD11 H 1 1.04 0.03 . 1 . . . . . . . . 4205 1 955 . 1 1 80 80 LEU HD12 H 1 1.04 0.03 . 1 . . . . . . . . 4205 1 956 . 1 1 80 80 LEU HD13 H 1 1.04 0.03 . 1 . . . . . . . . 4205 1 957 . 1 1 80 80 LEU HD21 H 1 1.89 0.03 . 1 . . . . . . . . 4205 1 958 . 1 1 80 80 LEU HD22 H 1 1.89 0.03 . 1 . . . . . . . . 4205 1 959 . 1 1 80 80 LEU HD23 H 1 1.89 0.03 . 1 . . . . . . . . 4205 1 960 . 1 1 80 80 LEU C C 13 179.10 0.50 . 1 . . . . . . . . 4205 1 961 . 1 1 80 80 LEU CA C 13 56.88 0.50 . 1 . . . . . . . . 4205 1 962 . 1 1 80 80 LEU CB C 13 43.55 0.50 . 1 . . . . . . . . 4205 1 963 . 1 1 80 80 LEU CG C 13 26.23 0.50 . 1 . . . . . . . . 4205 1 964 . 1 1 80 80 LEU CD1 C 13 27.23 0.50 . 1 . . . . . . . . 4205 1 965 . 1 1 80 80 LEU CD2 C 13 22.80 0.50 . 1 . . . . . . . . 4205 1 966 . 1 1 80 80 LEU N N 15 119.40 0.25 . 1 . . . . . . . . 4205 1 967 . 1 1 81 81 GLY H H 1 7.88 0.03 . 1 . . . . . . . . 4205 1 968 . 1 1 81 81 GLY HA2 H 1 3.95 0.03 . 2 . . . . . . . . 4205 1 969 . 1 1 81 81 GLY HA3 H 1 4.13 0.03 . 2 . . . . . . . . 4205 1 970 . 1 1 81 81 GLY C C 13 172.86 0.50 . 1 . . . . . . . . 4205 1 971 . 1 1 81 81 GLY CA C 13 44.14 0.50 . 1 . . . . . . . . 4205 1 972 . 1 1 81 81 GLY N N 15 105.61 0.25 . 1 . . . . . . . . 4205 1 973 . 1 1 82 82 LYS H H 1 8.12 0.03 . 1 . . . . . . . . 4205 1 974 . 1 1 82 82 LYS HA H 1 2.16 0.03 . 1 . . . . . . . . 4205 1 975 . 1 1 82 82 LYS HB2 H 1 0.95 0.03 . 2 . . . . . . . . 4205 1 976 . 1 1 82 82 LYS HB3 H 1 1.23 0.03 . 2 . . . . . . . . 4205 1 977 . 1 1 82 82 LYS HG2 H 1 -0.29 0.03 . 2 . . . . . . . . 4205 1 978 . 1 1 82 82 LYS HG3 H 1 0.65 0.03 . 2 . . . . . . . . 4205 1 979 . 1 1 82 82 LYS C C 13 177.18 0.50 . 1 . . . . . . . . 4205 1 980 . 1 1 82 82 LYS CA C 13 60.42 0.50 . 1 . . . . . . . . 4205 1 981 . 1 1 82 82 LYS CB C 13 33.06 0.50 . 1 . . . . . . . . 4205 1 982 . 1 1 82 82 LYS CG C 13 24.77 0.50 . 1 . . . . . . . . 4205 1 983 . 1 1 82 82 LYS CD C 13 29.60 0.50 . 1 . . . . . . . . 4205 1 984 . 1 1 82 82 LYS N N 15 121.45 0.25 . 1 . . . . . . . . 4205 1 985 . 1 1 83 83 GLU H H 1 8.44 0.03 . 1 . . . . . . . . 4205 1 986 . 1 1 83 83 GLU HA H 1 3.72 0.03 . 1 . . . . . . . . 4205 1 987 . 1 1 83 83 GLU HB2 H 1 1.95 0.03 . 1 . . . . . . . . 4205 1 988 . 1 1 83 83 GLU HB3 H 1 1.95 0.03 . 1 . . . . . . . . 4205 1 989 . 1 1 83 83 GLU HG2 H 1 2.21 0.03 . 2 . . . . . . . . 4205 1 990 . 1 1 83 83 GLU HG3 H 1 2.32 0.03 . 2 . . . . . . . . 4205 1 991 . 1 1 83 83 GLU C C 13 179.38 0.50 . 1 . . . . . . . . 4205 1 992 . 1 1 83 83 GLU CA C 13 60.56 0.50 . 1 . . . . . . . . 4205 1 993 . 1 1 83 83 GLU CB C 13 28.56 0.50 . 1 . . . . . . . . 4205 1 994 . 1 1 83 83 GLU CG C 13 37.02 0.50 . 1 . . . . . . . . 4205 1 995 . 1 1 83 83 GLU N N 15 115.09 0.25 . 1 . . . . . . . . 4205 1 996 . 1 1 84 84 CYS H H 1 7.91 0.03 . 1 . . . . . . . . 4205 1 997 . 1 1 84 84 CYS HA H 1 4.15 0.03 . 1 . . . . . . . . 4205 1 998 . 1 1 84 84 CYS HB2 H 1 2.85 0.03 . 2 . . . . . . . . 4205 1 999 . 1 1 84 84 CYS HB3 H 1 2.91 0.03 . 2 . . . . . . . . 4205 1 1000 . 1 1 84 84 CYS C C 13 177.18 0.50 . 1 . . . . . . . . 4205 1 1001 . 1 1 84 84 CYS CA C 13 62.15 0.50 . 1 . . . . . . . . 4205 1 1002 . 1 1 84 84 CYS CB C 13 27.27 0.50 . 1 . . . . . . . . 4205 1 1003 . 1 1 84 84 CYS N N 15 116.87 0.25 . 1 . . . . . . . . 4205 1 1004 . 1 1 85 85 PHE H H 1 8.43 0.03 . 1 . . . . . . . . 4205 1 1005 . 1 1 85 85 PHE HA H 1 3.95 0.03 . 1 . . . . . . . . 4205 1 1006 . 1 1 85 85 PHE HB2 H 1 3.02 0.03 . 2 . . . . . . . . 4205 1 1007 . 1 1 85 85 PHE HB3 H 1 3.09 0.03 . 2 . . . . . . . . 4205 1 1008 . 1 1 85 85 PHE HD1 H 1 7.27 0.03 . 1 . . . . . . . . 4205 1 1009 . 1 1 85 85 PHE HD2 H 1 7.27 0.03 . 1 . . . . . . . . 4205 1 1010 . 1 1 85 85 PHE HE1 H 1 7.78 0.03 . 1 . . . . . . . . 4205 1 1011 . 1 1 85 85 PHE HE2 H 1 7.78 0.03 . 1 . . . . . . . . 4205 1 1012 . 1 1 85 85 PHE HZ H 1 7.58 0.03 . 1 . . . . . . . . 4205 1 1013 . 1 1 85 85 PHE C C 13 177.37 0.50 . 1 . . . . . . . . 4205 1 1014 . 1 1 85 85 PHE CA C 13 61.82 0.50 . 1 . . . . . . . . 4205 1 1015 . 1 1 85 85 PHE CB C 13 39.95 0.50 . 1 . . . . . . . . 4205 1 1016 . 1 1 85 85 PHE CD1 C 13 129.72 0.50 . 1 . . . . . . . . 4205 1 1017 . 1 1 85 85 PHE CD2 C 13 129.72 0.50 . 1 . . . . . . . . 4205 1 1018 . 1 1 85 85 PHE CE1 C 13 131.10 0.50 . 1 . . . . . . . . 4205 1 1019 . 1 1 85 85 PHE CE2 C 13 131.10 0.50 . 1 . . . . . . . . 4205 1 1020 . 1 1 85 85 PHE CZ C 13 128.66 0.50 . 1 . . . . . . . . 4205 1 1021 . 1 1 85 85 PHE N N 15 122.62 0.25 . 1 . . . . . . . . 4205 1 1022 . 1 1 86 86 LEU H H 1 8.50 0.03 . 1 . . . . . . . . 4205 1 1023 . 1 1 86 86 LEU HA H 1 3.94 0.03 . 1 . . . . . . . . 4205 1 1024 . 1 1 86 86 LEU HB2 H 1 1.47 0.03 . 1 . . . . . . . . 4205 1 1025 . 1 1 86 86 LEU HB3 H 1 1.80 0.03 . 1 . . . . . . . . 4205 1 1026 . 1 1 86 86 LEU HG H 1 1.90 0.03 . 1 . . . . . . . . 4205 1 1027 . 1 1 86 86 LEU HD11 H 1 0.77 0.03 . 1 . . . . . . . . 4205 1 1028 . 1 1 86 86 LEU HD12 H 1 0.77 0.03 . 1 . . . . . . . . 4205 1 1029 . 1 1 86 86 LEU HD13 H 1 0.77 0.03 . 1 . . . . . . . . 4205 1 1030 . 1 1 86 86 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4205 1 1031 . 1 1 86 86 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4205 1 1032 . 1 1 86 86 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4205 1 1033 . 1 1 86 86 LEU C C 13 179.24 0.50 . 1 . . . . . . . . 4205 1 1034 . 1 1 86 86 LEU CA C 13 57.26 0.50 . 1 . . . . . . . . 4205 1 1035 . 1 1 86 86 LEU CB C 13 41.10 0.50 . 1 . . . . . . . . 4205 1 1036 . 1 1 86 86 LEU CG C 13 26.43 0.50 . 1 . . . . . . . . 4205 1 1037 . 1 1 86 86 LEU CD1 C 13 25.77 0.50 . 1 . . . . . . . . 4205 1 1038 . 1 1 86 86 LEU CD2 C 13 22.07 0.50 . 1 . . . . . . . . 4205 1 1039 . 1 1 86 86 LEU N N 15 116.64 0.25 . 1 . . . . . . . . 4205 1 1040 . 1 1 87 87 GLU H H 1 7.04 0.03 . 1 . . . . . . . . 4205 1 1041 . 1 1 87 87 GLU HA H 1 4.12 0.03 . 1 . . . . . . . . 4205 1 1042 . 1 1 87 87 GLU HB2 H 1 2.04 0.03 . 1 . . . . . . . . 4205 1 1043 . 1 1 87 87 GLU HB3 H 1 2.04 0.03 . 1 . . . . . . . . 4205 1 1044 . 1 1 87 87 GLU HG2 H 1 2.23 0.03 . 2 . . . . . . . . 4205 1 1045 . 1 1 87 87 GLU HG3 H 1 2.50 0.03 . 2 . . . . . . . . 4205 1 1046 . 1 1 87 87 GLU C C 13 177.74 0.50 . 1 . . . . . . . . 4205 1 1047 . 1 1 87 87 GLU CA C 13 57.16 0.50 . 1 . . . . . . . . 4205 1 1048 . 1 1 87 87 GLU CB C 13 29.82 0.50 . 1 . . . . . . . . 4205 1 1049 . 1 1 87 87 GLU CG C 13 36.51 0.50 . 1 . . . . . . . . 4205 1 1050 . 1 1 87 87 GLU N N 15 115.00 0.25 . 1 . . . . . . . . 4205 1 1051 . 1 1 88 88 LEU H H 1 7.69 0.03 . 1 . . . . . . . . 4205 1 1052 . 1 1 88 88 LEU HA H 1 3.78 0.03 . 1 . . . . . . . . 4205 1 1053 . 1 1 88 88 LEU HB2 H 1 1.30 0.03 . 1 . . . . . . . . 4205 1 1054 . 1 1 88 88 LEU HB3 H 1 0.63 0.03 . 1 . . . . . . . . 4205 1 1055 . 1 1 88 88 LEU HG H 1 1.58 0.03 . 1 . . . . . . . . 4205 1 1056 . 1 1 88 88 LEU HD11 H 1 0.29 0.03 . 1 . . . . . . . . 4205 1 1057 . 1 1 88 88 LEU HD12 H 1 0.29 0.03 . 1 . . . . . . . . 4205 1 1058 . 1 1 88 88 LEU HD13 H 1 0.29 0.03 . 1 . . . . . . . . 4205 1 1059 . 1 1 88 88 LEU HD21 H 1 0.52 0.03 . 1 . . . . . . . . 4205 1 1060 . 1 1 88 88 LEU HD22 H 1 0.52 0.03 . 1 . . . . . . . . 4205 1 1061 . 1 1 88 88 LEU HD23 H 1 0.52 0.03 . 1 . . . . . . . . 4205 1 1062 . 1 1 88 88 LEU C C 13 174.93 0.50 . 1 . . . . . . . . 4205 1 1063 . 1 1 88 88 LEU CA C 13 55.66 0.50 . 1 . . . . . . . . 4205 1 1064 . 1 1 88 88 LEU CB C 13 41.60 0.50 . 1 . . . . . . . . 4205 1 1065 . 1 1 88 88 LEU CG C 13 26.01 0.50 . 1 . . . . . . . . 4205 1 1066 . 1 1 88 88 LEU CD1 C 13 25.13 0.50 . 1 . . . . . . . . 4205 1 1067 . 1 1 88 88 LEU CD2 C 13 21.78 0.50 . 1 . . . . . . . . 4205 1 1068 . 1 1 88 88 LEU N N 15 117.97 0.25 . 1 . . . . . . . . 4205 1 1069 . 1 1 89 89 ALA H H 1 7.16 0.03 . 1 . . . . . . . . 4205 1 1070 . 1 1 89 89 ALA HA H 1 4.90 0.03 . 1 . . . . . . . . 4205 1 1071 . 1 1 89 89 ALA HB1 H 1 1.17 0.03 . 1 . . . . . . . . 4205 1 1072 . 1 1 89 89 ALA HB2 H 1 1.17 0.03 . 1 . . . . . . . . 4205 1 1073 . 1 1 89 89 ALA HB3 H 1 1.17 0.03 . 1 . . . . . . . . 4205 1 1074 . 1 1 89 89 ALA CA C 13 48.89 0.50 . 1 . . . . . . . . 4205 1 1075 . 1 1 89 89 ALA CB C 13 19.92 0.50 . 1 . . . . . . . . 4205 1 1076 . 1 1 89 89 ALA N N 15 117.52 0.25 . 1 . . . . . . . . 4205 1 1077 . 1 1 90 90 PRO HA H 1 4.55 0.03 . 1 . . . . . . . . 4205 1 1078 . 1 1 90 90 PRO HB2 H 1 1.81 0.03 . 2 . . . . . . . . 4205 1 1079 . 1 1 90 90 PRO HB3 H 1 2.49 0.03 . 2 . . . . . . . . 4205 1 1080 . 1 1 90 90 PRO HG2 H 1 1.99 0.03 . 2 . . . . . . . . 4205 1 1081 . 1 1 90 90 PRO HG3 H 1 2.07 0.03 . 2 . . . . . . . . 4205 1 1082 . 1 1 90 90 PRO HD2 H 1 3.15 0.03 . 2 . . . . . . . . 4205 1 1083 . 1 1 90 90 PRO HD3 H 1 3.84 0.03 . 2 . . . . . . . . 4205 1 1084 . 1 1 90 90 PRO C C 13 176.66 0.50 . 1 . . . . . . . . 4205 1 1085 . 1 1 90 90 PRO CA C 13 62.35 0.50 . 1 . . . . . . . . 4205 1 1086 . 1 1 90 90 PRO CB C 13 32.56 0.50 . 1 . . . . . . . . 4205 1 1087 . 1 1 90 90 PRO CG C 13 27.55 0.50 . 1 . . . . . . . . 4205 1 1088 . 1 1 90 90 PRO CD C 13 50.42 0.50 . 1 . . . . . . . . 4205 1 1089 . 1 1 91 91 ASP H H 1 8.60 0.03 . 1 . . . . . . . . 4205 1 1090 . 1 1 91 91 ASP HA H 1 4.28 0.03 . 1 . . . . . . . . 4205 1 1091 . 1 1 91 91 ASP HB2 H 1 2.36 0.03 . 1 . . . . . . . . 4205 1 1092 . 1 1 91 91 ASP HB3 H 1 2.51 0.03 . 1 . . . . . . . . 4205 1 1093 . 1 1 91 91 ASP C C 13 177.40 0.50 . 1 . . . . . . . . 4205 1 1094 . 1 1 91 91 ASP CA C 13 55.95 0.50 . 1 . . . . . . . . 4205 1 1095 . 1 1 91 91 ASP CB C 13 40.48 0.50 . 1 . . . . . . . . 4205 1 1096 . 1 1 91 91 ASP N N 15 122.68 0.25 . 1 . . . . . . . . 4205 1 1097 . 1 1 92 92 PHE H H 1 8.64 0.03 . 1 . . . . . . . . 4205 1 1098 . 1 1 92 92 PHE HA H 1 4.38 0.03 . 1 . . . . . . . . 4205 1 1099 . 1 1 92 92 PHE HB2 H 1 3.45 0.03 . 1 . . . . . . . . 4205 1 1100 . 1 1 92 92 PHE HB3 H 1 3.42 0.03 . 1 . . . . . . . . 4205 1 1101 . 1 1 92 92 PHE HD1 H 1 7.27 0.03 . 1 . . . . . . . . 4205 1 1102 . 1 1 92 92 PHE HD2 H 1 7.27 0.03 . 1 . . . . . . . . 4205 1 1103 . 1 1 92 92 PHE HE1 H 1 7.35 0.03 . 1 . . . . . . . . 4205 1 1104 . 1 1 92 92 PHE HE2 H 1 7.35 0.03 . 1 . . . . . . . . 4205 1 1105 . 1 1 92 92 PHE HZ H 1 7.64 0.03 . 1 . . . . . . . . 4205 1 1106 . 1 1 92 92 PHE C C 13 177.13 0.50 . 1 . . . . . . . . 4205 1 1107 . 1 1 92 92 PHE CA C 13 61.86 0.50 . 1 . . . . . . . . 4205 1 1108 . 1 1 92 92 PHE CB C 13 37.76 0.50 . 1 . . . . . . . . 4205 1 1109 . 1 1 92 92 PHE CD1 C 13 131.91 0.50 . 1 . . . . . . . . 4205 1 1110 . 1 1 92 92 PHE CD2 C 13 131.91 0.50 . 1 . . . . . . . . 4205 1 1111 . 1 1 92 92 PHE CE1 C 13 131.42 0.50 . 1 . . . . . . . . 4205 1 1112 . 1 1 92 92 PHE CE2 C 13 131.42 0.50 . 1 . . . . . . . . 4205 1 1113 . 1 1 92 92 PHE N N 15 119.62 0.25 . 1 . . . . . . . . 4205 1 1114 . 1 1 93 93 VAL H H 1 8.20 0.03 . 1 . . . . . . . . 4205 1 1115 . 1 1 93 93 VAL HA H 1 3.62 0.03 . 1 . . . . . . . . 4205 1 1116 . 1 1 93 93 VAL HB H 1 2.00 0.03 . 1 . . . . . . . . 4205 1 1117 . 1 1 93 93 VAL HG11 H 1 0.81 0.03 . 1 . . . . . . . . 4205 1 1118 . 1 1 93 93 VAL HG12 H 1 0.81 0.03 . 1 . . . . . . . . 4205 1 1119 . 1 1 93 93 VAL HG13 H 1 0.81 0.03 . 1 . . . . . . . . 4205 1 1120 . 1 1 93 93 VAL HG21 H 1 1.09 0.03 . 1 . . . . . . . . 4205 1 1121 . 1 1 93 93 VAL HG22 H 1 1.09 0.03 . 1 . . . . . . . . 4205 1 1122 . 1 1 93 93 VAL HG23 H 1 1.09 0.03 . 1 . . . . . . . . 4205 1 1123 . 1 1 93 93 VAL C C 13 177.64 0.50 . 1 . . . . . . . . 4205 1 1124 . 1 1 93 93 VAL CA C 13 65.40 0.50 . 1 . . . . . . . . 4205 1 1125 . 1 1 93 93 VAL CB C 13 32.15 0.50 . 1 . . . . . . . . 4205 1 1126 . 1 1 93 93 VAL CG1 C 13 22.03 0.50 . 1 . . . . . . . . 4205 1 1127 . 1 1 93 93 VAL CG2 C 13 22.66 0.50 . 1 . . . . . . . . 4205 1 1128 . 1 1 93 93 VAL N N 15 120.43 0.25 . 1 . . . . . . . . 4205 1 1129 . 1 1 94 94 GLY H H 1 7.94 0.03 . 1 . . . . . . . . 4205 1 1130 . 1 1 94 94 GLY HA2 H 1 3.74 0.03 . 2 . . . . . . . . 4205 1 1131 . 1 1 94 94 GLY HA3 H 1 4.33 0.03 . 2 . . . . . . . . 4205 1 1132 . 1 1 94 94 GLY C C 13 174.72 0.50 . 1 . . . . . . . . 4205 1 1133 . 1 1 94 94 GLY CA C 13 48.00 0.50 . 1 . . . . . . . . 4205 1 1134 . 1 1 94 94 GLY N N 15 104.26 0.25 . 1 . . . . . . . . 4205 1 1135 . 1 1 95 95 ASP H H 1 8.03 0.03 . 1 . . . . . . . . 4205 1 1136 . 1 1 95 95 ASP HA H 1 4.38 0.03 . 1 . . . . . . . . 4205 1 1137 . 1 1 95 95 ASP HB2 H 1 2.69 0.03 . 1 . . . . . . . . 4205 1 1138 . 1 1 95 95 ASP HB3 H 1 2.69 0.03 . 1 . . . . . . . . 4205 1 1139 . 1 1 95 95 ASP C C 13 178.79 0.50 . 1 . . . . . . . . 4205 1 1140 . 1 1 95 95 ASP CA C 13 58.03 0.50 . 1 . . . . . . . . 4205 1 1141 . 1 1 95 95 ASP CB C 13 40.93 0.50 . 1 . . . . . . . . 4205 1 1142 . 1 1 95 95 ASP N N 15 119.41 0.25 . 1 . . . . . . . . 4205 1 1143 . 1 1 96 96 ILE H H 1 7.46 0.03 . 1 . . . . . . . . 4205 1 1144 . 1 1 96 96 ILE HA H 1 3.92 0.03 . 1 . . . . . . . . 4205 1 1145 . 1 1 96 96 ILE HB H 1 1.83 0.03 . 1 . . . . . . . . 4205 1 1146 . 1 1 96 96 ILE HG12 H 1 0.90 0.03 . 2 . . . . . . . . 4205 1 1147 . 1 1 96 96 ILE HG13 H 1 1.50 0.03 . 2 . . . . . . . . 4205 1 1148 . 1 1 96 96 ILE HG21 H 1 0.61 0.03 . 1 . . . . . . . . 4205 1 1149 . 1 1 96 96 ILE HG22 H 1 0.61 0.03 . 1 . . . . . . . . 4205 1 1150 . 1 1 96 96 ILE HG23 H 1 0.61 0.03 . 1 . . . . . . . . 4205 1 1151 . 1 1 96 96 ILE HD11 H 1 0.56 0.03 . 1 . . . . . . . . 4205 1 1152 . 1 1 96 96 ILE HD12 H 1 0.56 0.03 . 1 . . . . . . . . 4205 1 1153 . 1 1 96 96 ILE HD13 H 1 0.56 0.03 . 1 . . . . . . . . 4205 1 1154 . 1 1 96 96 ILE C C 13 176.91 0.50 . 1 . . . . . . . . 4205 1 1155 . 1 1 96 96 ILE CA C 13 64.34 0.50 . 1 . . . . . . . . 4205 1 1156 . 1 1 96 96 ILE CB C 13 38.17 0.50 . 1 . . . . . . . . 4205 1 1157 . 1 1 96 96 ILE CG1 C 13 28.56 0.50 . 1 . . . . . . . . 4205 1 1158 . 1 1 96 96 ILE CG2 C 13 17.02 0.50 . 1 . . . . . . . . 4205 1 1159 . 1 1 96 96 ILE CD1 C 13 13.20 0.50 . 1 . . . . . . . . 4205 1 1160 . 1 1 96 96 ILE N N 15 119.55 0.25 . 1 . . . . . . . . 4205 1 1161 . 1 1 97 97 LEU H H 1 7.64 0.03 . 1 . . . . . . . . 4205 1 1162 . 1 1 97 97 LEU HA H 1 4.33 0.03 . 1 . . . . . . . . 4205 1 1163 . 1 1 97 97 LEU HB2 H 1 2.14 0.03 . 1 . . . . . . . . 4205 1 1164 . 1 1 97 97 LEU HB3 H 1 2.34 0.03 . 1 . . . . . . . . 4205 1 1165 . 1 1 97 97 LEU HG H 1 1.78 0.03 . 1 . . . . . . . . 4205 1 1166 . 1 1 97 97 LEU HD11 H 1 0.55 0.03 . 1 . . . . . . . . 4205 1 1167 . 1 1 97 97 LEU HD12 H 1 0.55 0.03 . 1 . . . . . . . . 4205 1 1168 . 1 1 97 97 LEU HD13 H 1 0.55 0.03 . 1 . . . . . . . . 4205 1 1169 . 1 1 97 97 LEU HD21 H 1 0.32 0.03 . 1 . . . . . . . . 4205 1 1170 . 1 1 97 97 LEU HD22 H 1 0.32 0.03 . 1 . . . . . . . . 4205 1 1171 . 1 1 97 97 LEU HD23 H 1 0.32 0.03 . 1 . . . . . . . . 4205 1 1172 . 1 1 97 97 LEU C C 13 178.47 0.50 . 1 . . . . . . . . 4205 1 1173 . 1 1 97 97 LEU CA C 13 57.83 0.50 . 1 . . . . . . . . 4205 1 1174 . 1 1 97 97 LEU CB C 13 41.33 0.50 . 1 . . . . . . . . 4205 1 1175 . 1 1 97 97 LEU CG C 13 26.45 0.50 . 1 . . . . . . . . 4205 1 1176 . 1 1 97 97 LEU CD1 C 13 25.98 0.50 . 1 . . . . . . . . 4205 1 1177 . 1 1 97 97 LEU CD2 C 13 21.31 0.50 . 1 . . . . . . . . 4205 1 1178 . 1 1 97 97 LEU N N 15 117.73 0.25 . 1 . . . . . . . . 4205 1 1179 . 1 1 98 98 TRP H H 1 8.91 0.03 . 1 . . . . . . . . 4205 1 1180 . 1 1 98 98 TRP HA H 1 3.73 0.03 . 1 . . . . . . . . 4205 1 1181 . 1 1 98 98 TRP HB2 H 1 3.25 0.03 . 1 . . . . . . . . 4205 1 1182 . 1 1 98 98 TRP HB3 H 1 3.25 0.03 . 1 . . . . . . . . 4205 1 1183 . 1 1 98 98 TRP HD1 H 1 7.09 0.03 . 1 . . . . . . . . 4205 1 1184 . 1 1 98 98 TRP HE1 H 1 9.81 0.03 . 1 . . . . . . . . 4205 1 1185 . 1 1 98 98 TRP HE3 H 1 6.23 0.03 . 1 . . . . . . . . 4205 1 1186 . 1 1 98 98 TRP HZ2 H 1 7.35 0.03 . 1 . . . . . . . . 4205 1 1187 . 1 1 98 98 TRP HZ3 H 1 6.81 0.03 . 1 . . . . . . . . 4205 1 1188 . 1 1 98 98 TRP HH2 H 1 7.12 0.03 . 1 . . . . . . . . 4205 1 1189 . 1 1 98 98 TRP C C 13 177.04 0.50 . 1 . . . . . . . . 4205 1 1190 . 1 1 98 98 TRP CA C 13 60.13 0.50 . 1 . . . . . . . . 4205 1 1191 . 1 1 98 98 TRP CB C 13 29.38 0.50 . 1 . . . . . . . . 4205 1 1192 . 1 1 98 98 TRP CD1 C 13 126.38 0.50 . 1 . . . . . . . . 4205 1 1193 . 1 1 98 98 TRP CE3 C 13 120.41 0.50 . 1 . . . . . . . . 4205 1 1194 . 1 1 98 98 TRP CZ2 C 13 114.19 0.50 . 1 . . . . . . . . 4205 1 1195 . 1 1 98 98 TRP CZ3 C 13 121.72 0.50 . 1 . . . . . . . . 4205 1 1196 . 1 1 98 98 TRP CH2 C 13 123.69 0.50 . 1 . . . . . . . . 4205 1 1197 . 1 1 98 98 TRP N N 15 118.95 0.25 . 1 . . . . . . . . 4205 1 1198 . 1 1 98 98 TRP NE1 N 15 128.20 0.25 . 1 . . . . . . . . 4205 1 1199 . 1 1 99 99 GLU H H 1 7.94 0.03 . 1 . . . . . . . . 4205 1 1200 . 1 1 99 99 GLU HA H 1 3.87 0.03 . 1 . . . . . . . . 4205 1 1201 . 1 1 99 99 GLU HB2 H 1 2.29 0.03 . 2 . . . . . . . . 4205 1 1202 . 1 1 99 99 GLU HB3 H 1 2.31 0.03 . 2 . . . . . . . . 4205 1 1203 . 1 1 99 99 GLU HG2 H 1 2.50 0.03 . 1 . . . . . . . . 4205 1 1204 . 1 1 99 99 GLU HG3 H 1 2.50 0.03 . 1 . . . . . . . . 4205 1 1205 . 1 1 99 99 GLU C C 13 179.17 0.50 . 1 . . . . . . . . 4205 1 1206 . 1 1 99 99 GLU CA C 13 59.00 0.50 . 1 . . . . . . . . 4205 1 1207 . 1 1 99 99 GLU CB C 13 29.01 0.50 . 1 . . . . . . . . 4205 1 1208 . 1 1 99 99 GLU CG C 13 36.16 0.50 . 1 . . . . . . . . 4205 1 1209 . 1 1 99 99 GLU N N 15 116.85 0.25 . 1 . . . . . . . . 4205 1 1210 . 1 1 100 100 HIS H H 1 7.90 0.03 . 1 . . . . . . . . 4205 1 1211 . 1 1 100 100 HIS HA H 1 3.79 0.03 . 1 . . . . . . . . 4205 1 1212 . 1 1 100 100 HIS HB2 H 1 3.44 0.03 . 1 . . . . . . . . 4205 1 1213 . 1 1 100 100 HIS HB3 H 1 2.79 0.03 . 1 . . . . . . . . 4205 1 1214 . 1 1 100 100 HIS HD2 H 1 6.37 0.03 . 1 . . . . . . . . 4205 1 1215 . 1 1 100 100 HIS HE1 H 1 6.73 0.03 . 1 . . . . . . . . 4205 1 1216 . 1 1 100 100 HIS C C 13 177.14 0.50 . 1 . . . . . . . . 4205 1 1217 . 1 1 100 100 HIS CA C 13 57.42 0.50 . 1 . . . . . . . . 4205 1 1218 . 1 1 100 100 HIS CB C 13 32.77 0.50 . 1 . . . . . . . . 4205 1 1219 . 1 1 100 100 HIS CD2 C 13 116.11 0.50 . 1 . . . . . . . . 4205 1 1220 . 1 1 100 100 HIS CE1 C 13 136.84 0.50 . 1 . . . . . . . . 4205 1 1221 . 1 1 100 100 HIS N N 15 118.48 0.25 . 1 . . . . . . . . 4205 1 1222 . 1 1 100 100 HIS ND1 N 15 255.70 0.25 . 1 . . . . . . . . 4205 1 1223 . 1 1 100 100 HIS NE2 N 15 163.50 0.25 . 1 . . . . . . . . 4205 1 1224 . 1 1 101 101 LEU H H 1 8.08 0.03 . 1 . . . . . . . . 4205 1 1225 . 1 1 101 101 LEU HA H 1 3.24 0.03 . 1 . . . . . . . . 4205 1 1226 . 1 1 101 101 LEU HB2 H 1 0.86 0.03 . 1 . . . . . . . . 4205 1 1227 . 1 1 101 101 LEU HB3 H 1 1.26 0.03 . 1 . . . . . . . . 4205 1 1228 . 1 1 101 101 LEU HG H 1 1.20 0.03 . 1 . . . . . . . . 4205 1 1229 . 1 1 101 101 LEU HD11 H 1 0.10 0.03 . 1 . . . . . . . . 4205 1 1230 . 1 1 101 101 LEU HD12 H 1 0.10 0.03 . 1 . . . . . . . . 4205 1 1231 . 1 1 101 101 LEU HD13 H 1 0.10 0.03 . 1 . . . . . . . . 4205 1 1232 . 1 1 101 101 LEU HD21 H 1 -0.03 0.03 . 1 . . . . . . . . 4205 1 1233 . 1 1 101 101 LEU HD22 H 1 -0.03 0.03 . 1 . . . . . . . . 4205 1 1234 . 1 1 101 101 LEU HD23 H 1 -0.03 0.03 . 1 . . . . . . . . 4205 1 1235 . 1 1 101 101 LEU C C 13 179.80 0.50 . 1 . . . . . . . . 4205 1 1236 . 1 1 101 101 LEU CA C 13 57.62 0.50 . 1 . . . . . . . . 4205 1 1237 . 1 1 101 101 LEU CB C 13 40.84 0.50 . 1 . . . . . . . . 4205 1 1238 . 1 1 101 101 LEU CG C 13 26.24 0.50 . 1 . . . . . . . . 4205 1 1239 . 1 1 101 101 LEU CD1 C 13 23.54 0.50 . 1 . . . . . . . . 4205 1 1240 . 1 1 101 101 LEU CD2 C 13 23.54 0.50 . 1 . . . . . . . . 4205 1 1241 . 1 1 101 101 LEU N N 15 118.87 0.25 . 1 . . . . . . . . 4205 1 1242 . 1 1 102 102 GLU H H 1 7.94 0.03 . 1 . . . . . . . . 4205 1 1243 . 1 1 102 102 GLU HA H 1 3.46 0.03 . 1 . . . . . . . . 4205 1 1244 . 1 1 102 102 GLU HB2 H 1 1.73 0.03 . 1 . . . . . . . . 4205 1 1245 . 1 1 102 102 GLU HB3 H 1 1.73 0.03 . 1 . . . . . . . . 4205 1 1246 . 1 1 102 102 GLU HG2 H 1 1.74 0.03 . 2 . . . . . . . . 4205 1 1247 . 1 1 102 102 GLU HG3 H 1 1.44 0.03 . 2 . . . . . . . . 4205 1 1248 . 1 1 102 102 GLU C C 13 179.57 0.50 . 1 . . . . . . . . 4205 1 1249 . 1 1 102 102 GLU CA C 13 59.68 0.50 . 1 . . . . . . . . 4205 1 1250 . 1 1 102 102 GLU CB C 13 29.67 0.50 . 1 . . . . . . . . 4205 1 1251 . 1 1 102 102 GLU CG C 13 36.59 0.50 . 1 . . . . . . . . 4205 1 1252 . 1 1 102 102 GLU N N 15 118.72 0.25 . 1 . . . . . . . . 4205 1 1253 . 1 1 103 103 ILE H H 1 7.68 0.03 . 1 . . . . . . . . 4205 1 1254 . 1 1 103 103 ILE HA H 1 3.62 0.03 . 1 . . . . . . . . 4205 1 1255 . 1 1 103 103 ILE HB H 1 2.07 0.03 . 1 . . . . . . . . 4205 1 1256 . 1 1 103 103 ILE HG12 H 1 1.21 0.03 . 2 . . . . . . . . 4205 1 1257 . 1 1 103 103 ILE HG13 H 1 1.82 0.03 . 2 . . . . . . . . 4205 1 1258 . 1 1 103 103 ILE HG21 H 1 0.99 0.03 . 1 . . . . . . . . 4205 1 1259 . 1 1 103 103 ILE HG22 H 1 0.99 0.03 . 1 . . . . . . . . 4205 1 1260 . 1 1 103 103 ILE HG23 H 1 0.99 0.03 . 1 . . . . . . . . 4205 1 1261 . 1 1 103 103 ILE HD11 H 1 0.99 0.03 . 1 . . . . . . . . 4205 1 1262 . 1 1 103 103 ILE HD12 H 1 0.99 0.03 . 1 . . . . . . . . 4205 1 1263 . 1 1 103 103 ILE HD13 H 1 0.99 0.03 . 1 . . . . . . . . 4205 1 1264 . 1 1 103 103 ILE C C 13 179.26 0.50 . 1 . . . . . . . . 4205 1 1265 . 1 1 103 103 ILE CA C 13 64.81 0.50 . 1 . . . . . . . . 4205 1 1266 . 1 1 103 103 ILE CB C 13 38.29 0.50 . 1 . . . . . . . . 4205 1 1267 . 1 1 103 103 ILE CG1 C 13 29.68 0.50 . 1 . . . . . . . . 4205 1 1268 . 1 1 103 103 ILE CG2 C 13 17.42 0.50 . 1 . . . . . . . . 4205 1 1269 . 1 1 103 103 ILE CD1 C 13 14.52 0.50 . 1 . . . . . . . . 4205 1 1270 . 1 1 103 103 ILE N N 15 120.82 0.25 . 1 . . . . . . . . 4205 1 1271 . 1 1 104 104 LEU H H 1 8.37 0.03 . 1 . . . . . . . . 4205 1 1272 . 1 1 104 104 LEU HA H 1 3.92 0.03 . 1 . . . . . . . . 4205 1 1273 . 1 1 104 104 LEU HB2 H 1 0.99 0.03 . 1 . . . . . . . . 4205 1 1274 . 1 1 104 104 LEU HB3 H 1 1.41 0.03 . 1 . . . . . . . . 4205 1 1275 . 1 1 104 104 LEU HG H 1 1.31 0.03 . 1 . . . . . . . . 4205 1 1276 . 1 1 104 104 LEU HD11 H 1 -0.11 0.03 . 1 . . . . . . . . 4205 1 1277 . 1 1 104 104 LEU HD12 H 1 -0.11 0.03 . 1 . . . . . . . . 4205 1 1278 . 1 1 104 104 LEU HD13 H 1 -0.11 0.03 . 1 . . . . . . . . 4205 1 1279 . 1 1 104 104 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 1280 . 1 1 104 104 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 1281 . 1 1 104 104 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 4205 1 1282 . 1 1 104 104 LEU C C 13 178.83 0.50 . 1 . . . . . . . . 4205 1 1283 . 1 1 104 104 LEU CA C 13 57.06 0.50 . 1 . . . . . . . . 4205 1 1284 . 1 1 104 104 LEU CB C 13 42.30 0.50 . 1 . . . . . . . . 4205 1 1285 . 1 1 104 104 LEU CG C 13 26.21 0.50 . 1 . . . . . . . . 4205 1 1286 . 1 1 104 104 LEU CD1 C 13 25.21 0.50 . 1 . . . . . . . . 4205 1 1287 . 1 1 104 104 LEU CD2 C 13 22.71 0.50 . 1 . . . . . . . . 4205 1 1288 . 1 1 104 104 LEU N N 15 120.38 0.25 . 1 . . . . . . . . 4205 1 1289 . 1 1 105 105 GLN H H 1 7.33 0.03 . 1 . . . . . . . . 4205 1 1290 . 1 1 105 105 GLN HA H 1 3.91 0.03 . 1 . . . . . . . . 4205 1 1291 . 1 1 105 105 GLN HB2 H 1 1.77 0.03 . 1 . . . . . . . . 4205 1 1292 . 1 1 105 105 GLN HB3 H 1 1.77 0.03 . 1 . . . . . . . . 4205 1 1293 . 1 1 105 105 GLN HG2 H 1 2.15 0.03 . 1 . . . . . . . . 4205 1 1294 . 1 1 105 105 GLN HG3 H 1 2.15 0.03 . 1 . . . . . . . . 4205 1 1295 . 1 1 105 105 GLN HE21 H 1 6.68 0.03 . 1 . . . . . . . . 4205 1 1296 . 1 1 105 105 GLN HE22 H 1 6.01 0.03 . 1 . . . . . . . . 4205 1 1297 . 1 1 105 105 GLN C C 13 176.24 0.50 . 1 . . . . . . . . 4205 1 1298 . 1 1 105 105 GLN CA C 13 57.34 0.50 . 1 . . . . . . . . 4205 1 1299 . 1 1 105 105 GLN CB C 13 31.47 0.50 . 1 . . . . . . . . 4205 1 1300 . 1 1 105 105 GLN CG C 13 36.21 0.50 . 1 . . . . . . . . 4205 1 1301 . 1 1 105 105 GLN CD C 13 179.28 0.50 . 1 . . . . . . . . 4205 1 1302 . 1 1 105 105 GLN N N 15 114.22 0.25 . 1 . . . . . . . . 4205 1 1303 . 1 1 105 105 GLN NE2 N 15 109.90 0.25 . 1 . . . . . . . . 4205 1 1304 . 1 1 106 106 LYS H H 1 7.41 0.03 . 1 . . . . . . . . 4205 1 1305 . 1 1 106 106 LYS HA H 1 4.19 0.03 . 1 . . . . . . . . 4205 1 1306 . 1 1 106 106 LYS HB2 H 1 1.83 0.03 . 1 . . . . . . . . 4205 1 1307 . 1 1 106 106 LYS HB3 H 1 1.83 0.03 . 1 . . . . . . . . 4205 1 1308 . 1 1 106 106 LYS HG2 H 1 1.42 0.03 . 2 . . . . . . . . 4205 1 1309 . 1 1 106 106 LYS HG3 H 1 1.51 0.03 . 2 . . . . . . . . 4205 1 1310 . 1 1 106 106 LYS HD2 H 1 1.62 0.03 . 1 . . . . . . . . 4205 1 1311 . 1 1 106 106 LYS HD3 H 1 1.62 0.03 . 1 . . . . . . . . 4205 1 1312 . 1 1 106 106 LYS HE2 H 1 2.94 0.03 . 1 . . . . . . . . 4205 1 1313 . 1 1 106 106 LYS HE3 H 1 2.94 0.03 . 1 . . . . . . . . 4205 1 1314 . 1 1 106 106 LYS C C 13 176.66 0.50 . 1 . . . . . . . . 4205 1 1315 . 1 1 106 106 LYS CA C 13 56.80 0.50 . 1 . . . . . . . . 4205 1 1316 . 1 1 106 106 LYS CB C 13 33.14 0.50 . 1 . . . . . . . . 4205 1 1317 . 1 1 106 106 LYS CG C 13 25.07 0.50 . 1 . . . . . . . . 4205 1 1318 . 1 1 106 106 LYS CD C 13 29.14 0.50 . 1 . . . . . . . . 4205 1 1319 . 1 1 106 106 LYS CE C 13 41.11 0.50 . 1 . . . . . . . . 4205 1 1320 . 1 1 106 106 LYS N N 15 119.45 0.25 . 1 . . . . . . . . 4205 1 1321 . 1 1 107 107 GLU H H 1 7.98 0.03 . 1 . . . . . . . . 4205 1 1322 . 1 1 107 107 GLU HA H 1 4.17 0.03 . 1 . . . . . . . . 4205 1 1323 . 1 1 107 107 GLU HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4205 1 1324 . 1 1 107 107 GLU HB3 H 1 1.97 0.03 . 1 . . . . . . . . 4205 1 1325 . 1 1 107 107 GLU HG2 H 1 2.22 0.03 . 2 . . . . . . . . 4205 1 1326 . 1 1 107 107 GLU HG3 H 1 2.30 0.03 . 2 . . . . . . . . 4205 1 1327 . 1 1 107 107 GLU C C 13 176.11 0.50 . 1 . . . . . . . . 4205 1 1328 . 1 1 107 107 GLU CA C 13 56.88 0.50 . 1 . . . . . . . . 4205 1 1329 . 1 1 107 107 GLU CB C 13 30.46 0.50 . 1 . . . . . . . . 4205 1 1330 . 1 1 107 107 GLU CG C 13 36.33 0.50 . 1 . . . . . . . . 4205 1 1331 . 1 1 107 107 GLU N N 15 121.44 0.25 . 1 . . . . . . . . 4205 1 1332 . 1 1 108 108 ASP H H 1 8.32 0.03 . 1 . . . . . . . . 4205 1 1333 . 1 1 108 108 ASP HA H 1 4.60 0.03 . 1 . . . . . . . . 4205 1 1334 . 1 1 108 108 ASP HB2 H 1 2.53 0.03 . 2 . . . . . . . . 4205 1 1335 . 1 1 108 108 ASP HB3 H 1 2.67 0.03 . 2 . . . . . . . . 4205 1 1336 . 1 1 108 108 ASP C C 13 175.72 0.50 . 1 . . . . . . . . 4205 1 1337 . 1 1 108 108 ASP CA C 13 54.20 0.50 . 1 . . . . . . . . 4205 1 1338 . 1 1 108 108 ASP CB C 13 41.25 0.50 . 1 . . . . . . . . 4205 1 1339 . 1 1 108 108 ASP N N 15 121.67 0.25 . 1 . . . . . . . . 4205 1 1340 . 1 1 109 109 VAL H H 1 7.96 0.03 . 1 . . . . . . . . 4205 1 1341 . 1 1 109 109 VAL HA H 1 4.07 0.03 . 1 . . . . . . . . 4205 1 1342 . 1 1 109 109 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 4205 1 1343 . 1 1 109 109 VAL HG11 H 1 0.90 0.03 . 1 . . . . . . . . 4205 1 1344 . 1 1 109 109 VAL HG12 H 1 0.90 0.03 . 1 . . . . . . . . 4205 1 1345 . 1 1 109 109 VAL HG13 H 1 0.90 0.03 . 1 . . . . . . . . 4205 1 1346 . 1 1 109 109 VAL HG21 H 1 0.90 0.03 . 1 . . . . . . . . 4205 1 1347 . 1 1 109 109 VAL HG22 H 1 0.90 0.03 . 1 . . . . . . . . 4205 1 1348 . 1 1 109 109 VAL HG23 H 1 0.90 0.03 . 1 . . . . . . . . 4205 1 1349 . 1 1 109 109 VAL C C 13 175.17 0.50 . 1 . . . . . . . . 4205 1 1350 . 1 1 109 109 VAL CA C 13 62.30 0.50 . 1 . . . . . . . . 4205 1 1351 . 1 1 109 109 VAL CB C 13 32.56 0.50 . 1 . . . . . . . . 4205 1 1352 . 1 1 109 109 VAL CG1 C 13 21.32 0.50 . 1 . . . . . . . . 4205 1 1353 . 1 1 109 109 VAL CG2 C 13 20.58 0.50 . 1 . . . . . . . . 4205 1 1354 . 1 1 109 109 VAL N N 15 120.68 0.25 . 1 . . . . . . . . 4205 1 1355 . 1 1 110 110 LYS H H 1 7.90 0.03 . 1 . . . . . . . . 4205 1 1356 . 1 1 110 110 LYS HA H 1 4.15 0.03 . 1 . . . . . . . . 4205 1 1357 . 1 1 110 110 LYS HB2 H 1 1.70 0.03 . 2 . . . . . . . . 4205 1 1358 . 1 1 110 110 LYS HB3 H 1 1.80 0.03 . 2 . . . . . . . . 4205 1 1359 . 1 1 110 110 LYS HG2 H 1 1.37 0.03 . 1 . . . . . . . . 4205 1 1360 . 1 1 110 110 LYS HG3 H 1 1.37 0.03 . 1 . . . . . . . . 4205 1 1361 . 1 1 110 110 LYS HD2 H 1 1.64 0.03 . 1 . . . . . . . . 4205 1 1362 . 1 1 110 110 LYS HD3 H 1 1.64 0.03 . 1 . . . . . . . . 4205 1 1363 . 1 1 110 110 LYS HE2 H 1 2.98 0.03 . 1 . . . . . . . . 4205 1 1364 . 1 1 110 110 LYS HE3 H 1 2.98 0.03 . 1 . . . . . . . . 4205 1 1365 . 1 1 110 110 LYS CA C 13 57.47 0.50 . 1 . . . . . . . . 4205 1 1366 . 1 1 110 110 LYS CB C 13 33.76 0.50 . 1 . . . . . . . . 4205 1 1367 . 1 1 110 110 LYS CG C 13 24.90 0.50 . 1 . . . . . . . . 4205 1 1368 . 1 1 110 110 LYS CD C 13 29.09 0.50 . 1 . . . . . . . . 4205 1 1369 . 1 1 110 110 LYS CE C 13 42.29 0.50 . 1 . . . . . . . . 4205 1 1370 . 1 1 110 110 LYS N N 15 130.48 0.25 . 1 . . . . . . . . 4205 1 stop_ save_