data_4567 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4567 _Entry.Title ; 1H, 15N and 13C resonance assignments for the catalytic domain of the yeast E2, UBC1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-12-22 _Entry.Accession_date 1999-12-22 _Entry.Last_release_date 2000-04-03 _Entry.Original_release_date 2000-04-03 _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 Katherine Hamilton . S. . 4567 2 Michael Ellison . J. . 4567 3 Gary Shaw . S. . 4567 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4567 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 576 4567 '13C chemical shifts' 463 4567 '15N chemical shifts' 130 4567 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 . . 2000-04-03 1999-12-22 original author . 4567 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4567 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20285165 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Hamilton, K.S., Ellison, M.J., and Shaw, G.S., "Letter to the Editor: 1H, 15N and 13C Resonance Assignments for the Catalytic Domain of the Yeast E2, UBC1," J. Biomol. NMR 16, 351-352 (2000). ; _Citation.Title ; Letter to the Editor: 1H, 15N and 13C Resonance Assignments for the Catalytic Domain of the Yeast E2, UBC1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 16 _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 351 _Citation.Page_last 352 _Citation.Year 2000 _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 Katherine Hamilton . S. . 4567 1 2 Michael Ellison . J. . 4567 1 3 Gary Shaw . S. . 4567 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'yeast UBC1' 4567 1 'conjugating enzyme' 4567 1 'resonance assignments' 4567 1 'ubiquitin system' 4567 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_yUBC1 _Assembly.Sf_category assembly _Assembly.Sf_framecode yUBC1 _Assembly.Entry_ID 4567 _Assembly.ID 1 _Assembly.Name 'catalytic domain of yUBC1' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4567 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 yUBC1D450(K93R) 1 $yUBC1D450(K93R) . . . native . . . . . 4567 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'catalytic domain of yUBC1' system 4567 1 yUBC1 abbreviation 4567 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'conjugatin enzyme in ubiquitin system' 4567 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_yUBC1D450(K93R) _Entity.Sf_category entity _Entity.Sf_framecode yUBC1D450(K93R) _Entity.Entry_ID 4567 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'yeast UBC1 (catalytic 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 ; MSSRAKRIMKEIQAVKDDPA AHITLEFVSESDIHHLKGTF LGPPGTPYEGGKFVVDIEVP MEYPFKPPKMQFDTKVYHPN ISSVTGAICLDILRNAWSPV ITLKSALISLQALLQSPEPN DPQDAEVAQHYLRDRESFNK TAALWTRLYAS ; _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 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16821 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Yeast UBC1 enzyme lacking the C-terminal 'tail', with a mutation at position 93(K to R) and a 1 residue insertion at position 3(a Ser), due to cloning procedures. Will support thiol ester chain formation in invitro reaction with E1 and ubiquitin. ; _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 PDB 1FXT . "Structure Of A Conjugating Enzyme-Ubiquitin Thiolester Complex" . . . . . 98.68 149 99.33 100.00 3.06e-105 . . . . 4567 1 2 no PDB 1FZY . "Crystal Structure Of Saccharomyces Cerevisiae Ubiquitin Conjugating Enzyme 1" . . . . . 98.68 149 99.33 100.00 3.06e-105 . . . . 4567 1 3 no PDB 1TTE . "The Structure Of A Class Ii Ubiquitin-Conjugating Enzyme, Ubc1" . . . . . 99.34 215 100.00 100.00 2.93e-106 . . . . 4567 1 4 no DBJ GAA22407 . "K7_Ubc1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.68 215 99.33 100.00 3.90e-105 . . . . 4567 1 5 no EMBL CAA39812 . "UBC1 ubiquitin-conjugating enzyme [Saccharomyces cerevisiae]" . . . . . 98.68 215 99.33 100.00 3.90e-105 . . . . 4567 1 6 no EMBL CAA86682 . "Ubc1p [Saccharomyces cerevisiae]" . . . . . 98.68 215 99.33 100.00 3.90e-105 . . . . 4567 1 7 no EMBL CAY78679 . "Ubc1p [Saccharomyces cerevisiae EC1118]" . . . . . 98.68 215 99.33 100.00 3.90e-105 . . . . 4567 1 8 no GB AAS56001 . "YDR177W [Saccharomyces cerevisiae]" . . . . . 98.68 215 99.33 100.00 3.90e-105 . . . . 4567 1 9 no GB AHY75163 . "Ubc1p [Saccharomyces cerevisiae YJM993]" . . . . . 98.68 215 98.66 100.00 1.24e-104 . . . . 4567 1 10 no GB AJP37891 . "Ubc1p [Saccharomyces cerevisiae YJM1078]" . . . . . 98.68 215 98.66 99.33 3.54e-104 . . . . 4567 1 11 no GB AJU58013 . "Ubc1p [Saccharomyces cerevisiae YJM189]" . . . . . 98.68 215 99.33 100.00 3.90e-105 . . . . 4567 1 12 no GB AJU58708 . "Ubc1p [Saccharomyces cerevisiae YJM193]" . . . . . 98.68 215 99.33 100.00 3.90e-105 . . . . 4567 1 13 no REF NP_010462 . "E2 ubiquitin-conjugating protein UBC1 [Saccharomyces cerevisiae S288c]" . . . . . 98.68 215 99.33 100.00 3.90e-105 . . . . 4567 1 14 no SP P21734 . "RecName: Full=Ubiquitin-conjugating enzyme E2 1; AltName: Full=E2 ubiquitin-conjugating enzyme 1; AltName: Full=Ubiquitin carri" . . . . . 98.68 215 99.33 100.00 3.90e-105 . . . . 4567 1 15 no TPG DAA12019 . "TPA: E2 ubiquitin-conjugating protein UBC1 [Saccharomyces cerevisiae S288c]" . . . . . 98.68 215 99.33 100.00 3.90e-105 . . . . 4567 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'yeast UBC1 (catalytic domain)' common 4567 1 yUBC1D450(K93R) variant 4567 1 yUBC1D450(K93R) abbreviation 4567 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 . 4567 1 2 . SER . 4567 1 3 . SER . 4567 1 4 . ARG . 4567 1 5 . ALA . 4567 1 6 . LYS . 4567 1 7 . ARG . 4567 1 8 . ILE . 4567 1 9 . MET . 4567 1 10 . LYS . 4567 1 11 . GLU . 4567 1 12 . ILE . 4567 1 13 . GLN . 4567 1 14 . ALA . 4567 1 15 . VAL . 4567 1 16 . LYS . 4567 1 17 . ASP . 4567 1 18 . ASP . 4567 1 19 . PRO . 4567 1 20 . ALA . 4567 1 21 . ALA . 4567 1 22 . HIS . 4567 1 23 . ILE . 4567 1 24 . THR . 4567 1 25 . LEU . 4567 1 26 . GLU . 4567 1 27 . PHE . 4567 1 28 . VAL . 4567 1 29 . SER . 4567 1 30 . GLU . 4567 1 31 . SER . 4567 1 32 . ASP . 4567 1 33 . ILE . 4567 1 34 . HIS . 4567 1 35 . HIS . 4567 1 36 . LEU . 4567 1 37 . LYS . 4567 1 38 . GLY . 4567 1 39 . THR . 4567 1 40 . PHE . 4567 1 41 . LEU . 4567 1 42 . GLY . 4567 1 43 . PRO . 4567 1 44 . PRO . 4567 1 45 . GLY . 4567 1 46 . THR . 4567 1 47 . PRO . 4567 1 48 . TYR . 4567 1 49 . GLU . 4567 1 50 . GLY . 4567 1 51 . GLY . 4567 1 52 . LYS . 4567 1 53 . PHE . 4567 1 54 . VAL . 4567 1 55 . VAL . 4567 1 56 . ASP . 4567 1 57 . ILE . 4567 1 58 . GLU . 4567 1 59 . VAL . 4567 1 60 . PRO . 4567 1 61 . MET . 4567 1 62 . GLU . 4567 1 63 . TYR . 4567 1 64 . PRO . 4567 1 65 . PHE . 4567 1 66 . LYS . 4567 1 67 . PRO . 4567 1 68 . PRO . 4567 1 69 . LYS . 4567 1 70 . MET . 4567 1 71 . GLN . 4567 1 72 . PHE . 4567 1 73 . ASP . 4567 1 74 . THR . 4567 1 75 . LYS . 4567 1 76 . VAL . 4567 1 77 . TYR . 4567 1 78 . HIS . 4567 1 79 . PRO . 4567 1 80 . ASN . 4567 1 81 . ILE . 4567 1 82 . SER . 4567 1 83 . SER . 4567 1 84 . VAL . 4567 1 85 . THR . 4567 1 86 . GLY . 4567 1 87 . ALA . 4567 1 88 . ILE . 4567 1 89 . CYS . 4567 1 90 . LEU . 4567 1 91 . ASP . 4567 1 92 . ILE . 4567 1 93 . LEU . 4567 1 94 . ARG . 4567 1 95 . ASN . 4567 1 96 . ALA . 4567 1 97 . TRP . 4567 1 98 . SER . 4567 1 99 . PRO . 4567 1 100 . VAL . 4567 1 101 . ILE . 4567 1 102 . THR . 4567 1 103 . LEU . 4567 1 104 . LYS . 4567 1 105 . SER . 4567 1 106 . ALA . 4567 1 107 . LEU . 4567 1 108 . ILE . 4567 1 109 . SER . 4567 1 110 . LEU . 4567 1 111 . GLN . 4567 1 112 . ALA . 4567 1 113 . LEU . 4567 1 114 . LEU . 4567 1 115 . GLN . 4567 1 116 . SER . 4567 1 117 . PRO . 4567 1 118 . GLU . 4567 1 119 . PRO . 4567 1 120 . ASN . 4567 1 121 . ASP . 4567 1 122 . PRO . 4567 1 123 . GLN . 4567 1 124 . ASP . 4567 1 125 . ALA . 4567 1 126 . GLU . 4567 1 127 . VAL . 4567 1 128 . ALA . 4567 1 129 . GLN . 4567 1 130 . HIS . 4567 1 131 . TYR . 4567 1 132 . LEU . 4567 1 133 . ARG . 4567 1 134 . ASP . 4567 1 135 . ARG . 4567 1 136 . GLU . 4567 1 137 . SER . 4567 1 138 . PHE . 4567 1 139 . ASN . 4567 1 140 . LYS . 4567 1 141 . THR . 4567 1 142 . ALA . 4567 1 143 . ALA . 4567 1 144 . LEU . 4567 1 145 . TRP . 4567 1 146 . THR . 4567 1 147 . ARG . 4567 1 148 . LEU . 4567 1 149 . TYR . 4567 1 150 . ALA . 4567 1 151 . SER . 4567 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 4567 1 . SER 2 2 4567 1 . SER 3 3 4567 1 . ARG 4 4 4567 1 . ALA 5 5 4567 1 . LYS 6 6 4567 1 . ARG 7 7 4567 1 . ILE 8 8 4567 1 . MET 9 9 4567 1 . LYS 10 10 4567 1 . GLU 11 11 4567 1 . ILE 12 12 4567 1 . GLN 13 13 4567 1 . ALA 14 14 4567 1 . VAL 15 15 4567 1 . LYS 16 16 4567 1 . ASP 17 17 4567 1 . ASP 18 18 4567 1 . PRO 19 19 4567 1 . ALA 20 20 4567 1 . ALA 21 21 4567 1 . HIS 22 22 4567 1 . ILE 23 23 4567 1 . THR 24 24 4567 1 . LEU 25 25 4567 1 . GLU 26 26 4567 1 . PHE 27 27 4567 1 . VAL 28 28 4567 1 . SER 29 29 4567 1 . GLU 30 30 4567 1 . SER 31 31 4567 1 . ASP 32 32 4567 1 . ILE 33 33 4567 1 . HIS 34 34 4567 1 . HIS 35 35 4567 1 . LEU 36 36 4567 1 . LYS 37 37 4567 1 . GLY 38 38 4567 1 . THR 39 39 4567 1 . PHE 40 40 4567 1 . LEU 41 41 4567 1 . GLY 42 42 4567 1 . PRO 43 43 4567 1 . PRO 44 44 4567 1 . GLY 45 45 4567 1 . THR 46 46 4567 1 . PRO 47 47 4567 1 . TYR 48 48 4567 1 . GLU 49 49 4567 1 . GLY 50 50 4567 1 . GLY 51 51 4567 1 . LYS 52 52 4567 1 . PHE 53 53 4567 1 . VAL 54 54 4567 1 . VAL 55 55 4567 1 . ASP 56 56 4567 1 . ILE 57 57 4567 1 . GLU 58 58 4567 1 . VAL 59 59 4567 1 . PRO 60 60 4567 1 . MET 61 61 4567 1 . GLU 62 62 4567 1 . TYR 63 63 4567 1 . PRO 64 64 4567 1 . PHE 65 65 4567 1 . LYS 66 66 4567 1 . PRO 67 67 4567 1 . PRO 68 68 4567 1 . LYS 69 69 4567 1 . MET 70 70 4567 1 . GLN 71 71 4567 1 . PHE 72 72 4567 1 . ASP 73 73 4567 1 . THR 74 74 4567 1 . LYS 75 75 4567 1 . VAL 76 76 4567 1 . TYR 77 77 4567 1 . HIS 78 78 4567 1 . PRO 79 79 4567 1 . ASN 80 80 4567 1 . ILE 81 81 4567 1 . SER 82 82 4567 1 . SER 83 83 4567 1 . VAL 84 84 4567 1 . THR 85 85 4567 1 . GLY 86 86 4567 1 . ALA 87 87 4567 1 . ILE 88 88 4567 1 . CYS 89 89 4567 1 . LEU 90 90 4567 1 . ASP 91 91 4567 1 . ILE 92 92 4567 1 . LEU 93 93 4567 1 . ARG 94 94 4567 1 . ASN 95 95 4567 1 . ALA 96 96 4567 1 . TRP 97 97 4567 1 . SER 98 98 4567 1 . PRO 99 99 4567 1 . VAL 100 100 4567 1 . ILE 101 101 4567 1 . THR 102 102 4567 1 . LEU 103 103 4567 1 . LYS 104 104 4567 1 . SER 105 105 4567 1 . ALA 106 106 4567 1 . LEU 107 107 4567 1 . ILE 108 108 4567 1 . SER 109 109 4567 1 . LEU 110 110 4567 1 . GLN 111 111 4567 1 . ALA 112 112 4567 1 . LEU 113 113 4567 1 . LEU 114 114 4567 1 . GLN 115 115 4567 1 . SER 116 116 4567 1 . PRO 117 117 4567 1 . GLU 118 118 4567 1 . PRO 119 119 4567 1 . ASN 120 120 4567 1 . ASP 121 121 4567 1 . PRO 122 122 4567 1 . GLN 123 123 4567 1 . ASP 124 124 4567 1 . ALA 125 125 4567 1 . GLU 126 126 4567 1 . VAL 127 127 4567 1 . ALA 128 128 4567 1 . GLN 129 129 4567 1 . HIS 130 130 4567 1 . TYR 131 131 4567 1 . LEU 132 132 4567 1 . ARG 133 133 4567 1 . ASP 134 134 4567 1 . ARG 135 135 4567 1 . GLU 136 136 4567 1 . SER 137 137 4567 1 . PHE 138 138 4567 1 . ASN 139 139 4567 1 . LYS 140 140 4567 1 . THR 141 141 4567 1 . ALA 142 142 4567 1 . ALA 143 143 4567 1 . LEU 144 144 4567 1 . TRP 145 145 4567 1 . THR 146 146 4567 1 . ARG 147 147 4567 1 . LEU 148 148 4567 1 . TYR 149 149 4567 1 . ALA 150 150 4567 1 . SER 151 151 4567 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 4567 _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 $yUBC1D450(K93R) . 4932 . . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota . Saccharomyces cerevisiae . . . . . . . . . . . . . . . . ubc1 . . . . 4567 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 4567 _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 $yUBC1D450(K93R) . 'recombinant technology' . E.coli . . . . BL21DE3pLysS . . . . . . . . . . . . plasmid . . pET3A . . . . . . 4567 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4567 _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 'yeast UBC1 (catalytic domain)' '[U-95% 13C; U-95% 15N]' . . 1 $yUBC1D450(K93R) . . 0.7 . . mM . . . . 4567 1 2 HEPES . . . . . . . 40 . . mM . . . . 4567 1 3 NaCl . . . . . . . 400 . . mM . . . . 4567 1 4 DTT . . . . . . . 1.0 . . mM . . . . 4567 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4567 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'yeast UBC1 (catalytic domain)' '[U-95% 15N]' . . 1 $yUBC1D450(K93R) . . . 0.8 0.9 mM . . . . 4567 2 2 HEPES . . . . . . . 40 . . mM . . . . 4567 2 3 NaCl . . . . . . . 400 . . mM . . . . 4567 2 4 DTT . . . . . . . 1.0 . . mM . . . . 4567 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions _Sample_condition_list.Entry_ID 4567 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.03 na 4567 1 temperature 298 0.1 K 4567 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4567 _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_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4567 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 4567 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4567 _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_1 Varian Unity . 500 . . . 4567 1 2 NMR_spectrometer_2 Varian Inova . 600 . . . 4567 1 3 NMR_spectrometer_3 Varian Inova . 800 . . . 4567 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 4567 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4567 1 2 '15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4567 1 3 '15N-edited TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4567 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4567 1 5 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4567 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4567 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4567 1 8 HCACOCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4567 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 4567 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-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 4567 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4567 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4567 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4567 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _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 4567 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4567 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _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 4567 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCACOCANH _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_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4567 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4567 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4567 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4567 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 4567 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 4567 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 SER C C 13 173.64 0.10 . 1 . . . . . . . . 4567 1 2 . 1 1 3 3 SER H H 1 8.43 0.02 . 1 . . . . . . . . 4567 1 3 . 1 1 3 3 SER HA H 1 4.64 0.03 . 1 . . . . . . . . 4567 1 4 . 1 1 3 3 SER C C 13 174.79 0.10 . 1 . . . . . . . . 4567 1 5 . 1 1 3 3 SER CA C 13 54.75 0.20 . 1 . . . . . . . . 4567 1 6 . 1 1 3 3 SER N N 15 119.41 0.20 . 1 . . . . . . . . 4567 1 7 . 1 1 4 4 ARG H H 1 9.75 0.02 . 1 . . . . . . . . 4567 1 8 . 1 1 4 4 ARG CA C 13 59.67 0.20 . 1 . . . . . . . . 4567 1 9 . 1 1 4 4 ARG CB C 13 30.37 0.20 . 1 . . . . . . . . 4567 1 10 . 1 1 4 4 ARG N N 15 124.97 0.20 . 1 . . . . . . . . 4567 1 11 . 1 1 5 5 ALA H H 1 8.18 0.02 . 1 . . . . . . . . 4567 1 12 . 1 1 5 5 ALA HA H 1 4.05 0.03 . 1 . . . . . . . . 4567 1 13 . 1 1 5 5 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 14 . 1 1 5 5 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 15 . 1 1 5 5 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 16 . 1 1 5 5 ALA C C 13 179.56 0.10 . 1 . . . . . . . . 4567 1 17 . 1 1 5 5 ALA CA C 13 55.63 0.20 . 1 . . . . . . . . 4567 1 18 . 1 1 5 5 ALA CB C 13 18.58 0.20 . 1 . . . . . . . . 4567 1 19 . 1 1 5 5 ALA N N 15 121.36 0.20 . 1 . . . . . . . . 4567 1 20 . 1 1 6 6 LYS H H 1 7.99 0.02 . 1 . . . . . . . . 4567 1 21 . 1 1 6 6 LYS HA H 1 4.05 0.03 . 1 . . . . . . . . 4567 1 22 . 1 1 6 6 LYS HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4567 1 23 . 1 1 6 6 LYS C C 13 179.39 0.10 . 1 . . . . . . . . 4567 1 24 . 1 1 6 6 LYS CA C 13 59.43 0.20 . 1 . . . . . . . . 4567 1 25 . 1 1 6 6 LYS CB C 13 32.28 0.20 . 1 . . . . . . . . 4567 1 26 . 1 1 6 6 LYS N N 15 117.09 0.20 . 1 . . . . . . . . 4567 1 27 . 1 1 7 7 ARG H H 1 7.97 0.02 . 1 . . . . . . . . 4567 1 28 . 1 1 7 7 ARG HA H 1 4.27 0.03 . 1 . . . . . . . . 4567 1 29 . 1 1 7 7 ARG C C 13 178.32 0.10 . 1 . . . . . . . . 4567 1 30 . 1 1 7 7 ARG CA C 13 58.80 0.20 . 1 . . . . . . . . 4567 1 31 . 1 1 7 7 ARG CB C 13 28.77 0.20 . 1 . . . . . . . . 4567 1 32 . 1 1 7 7 ARG N N 15 120.10 0.20 . 1 . . . . . . . . 4567 1 33 . 1 1 8 8 ILE H H 1 8.45 0.02 . 1 . . . . . . . . 4567 1 34 . 1 1 8 8 ILE HA H 1 3.73 0.03 . 1 . . . . . . . . 4567 1 35 . 1 1 8 8 ILE HB H 1 2.05 0.03 . 1 . . . . . . . . 4567 1 36 . 1 1 8 8 ILE HG21 H 1 1.10 0.03 . 1 . . . . . . . . 4567 1 37 . 1 1 8 8 ILE HG22 H 1 1.10 0.03 . 1 . . . . . . . . 4567 1 38 . 1 1 8 8 ILE HG23 H 1 1.10 0.03 . 1 . . . . . . . . 4567 1 39 . 1 1 8 8 ILE CA C 13 64.91 0.20 . 1 . . . . . . . . 4567 1 40 . 1 1 8 8 ILE CB C 13 37.27 0.20 . 1 . . . . . . . . 4567 1 41 . 1 1 8 8 ILE CG2 C 13 17.65 0.20 . 1 . . . . . . . . 4567 1 42 . 1 1 8 8 ILE N N 15 119.55 0.20 . 1 . . . . . . . . 4567 1 43 . 1 1 9 9 MET C C 13 179.83 0.10 . 1 . . . . . . . . 4567 1 44 . 1 1 10 10 LYS H H 1 8.00 0.02 . 1 . . . . . . . . 4567 1 45 . 1 1 10 10 LYS HA H 1 4.17 0.03 . 1 . . . . . . . . 4567 1 46 . 1 1 10 10 LYS C C 13 179.68 0.10 . 1 . . . . . . . . 4567 1 47 . 1 1 10 10 LYS CA C 13 59.53 0.20 . 1 . . . . . . . . 4567 1 48 . 1 1 10 10 LYS CB C 13 32.34 0.20 . 1 . . . . . . . . 4567 1 49 . 1 1 10 10 LYS N N 15 121.00 0.20 . 1 . . . . . . . . 4567 1 50 . 1 1 11 11 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 4567 1 51 . 1 1 11 11 GLU HA H 1 4.16 0.03 . 1 . . . . . . . . 4567 1 52 . 1 1 11 11 GLU HB3 H 1 1.77 0.03 . 2 . . . . . . . . 4567 1 53 . 1 1 11 11 GLU C C 13 179.58 0.10 . 1 . . . . . . . . 4567 1 54 . 1 1 11 11 GLU CA C 13 60.10 0.20 . 1 . . . . . . . . 4567 1 55 . 1 1 11 11 GLU CB C 13 29.55 0.20 . 1 . . . . . . . . 4567 1 56 . 1 1 11 11 GLU N N 15 121.47 0.20 . 1 . . . . . . . . 4567 1 57 . 1 1 12 12 ILE H H 1 8.23 0.02 . 1 . . . . . . . . 4567 1 58 . 1 1 12 12 ILE HA H 1 3.67 0.03 . 1 . . . . . . . . 4567 1 59 . 1 1 12 12 ILE HB H 1 2.00 0.03 . 1 . . . . . . . . 4567 1 60 . 1 1 12 12 ILE HD11 H 1 0.41 0.03 . 1 . . . . . . . . 4567 1 61 . 1 1 12 12 ILE HD12 H 1 0.41 0.03 . 1 . . . . . . . . 4567 1 62 . 1 1 12 12 ILE HD13 H 1 0.41 0.03 . 1 . . . . . . . . 4567 1 63 . 1 1 12 12 ILE HG21 H 1 0.91 0.03 . 1 . . . . . . . . 4567 1 64 . 1 1 12 12 ILE HG22 H 1 0.91 0.03 . 1 . . . . . . . . 4567 1 65 . 1 1 12 12 ILE HG23 H 1 0.91 0.03 . 1 . . . . . . . . 4567 1 66 . 1 1 12 12 ILE C C 13 178.89 0.10 . 1 . . . . . . . . 4567 1 67 . 1 1 12 12 ILE CA C 13 64.53 0.20 . 1 . . . . . . . . 4567 1 68 . 1 1 12 12 ILE CB C 13 37.72 0.20 . 1 . . . . . . . . 4567 1 69 . 1 1 12 12 ILE CD1 C 13 13.14 0.20 . 1 . . . . . . . . 4567 1 70 . 1 1 12 12 ILE CG2 C 13 17.20 0.20 . 1 . . . . . . . . 4567 1 71 . 1 1 12 12 ILE N N 15 119.10 0.20 . 1 . . . . . . . . 4567 1 72 . 1 1 13 13 GLN H H 1 8.03 0.02 . 1 . . . . . . . . 4567 1 73 . 1 1 13 13 GLN HA H 1 3.87 0.03 . 1 . . . . . . . . 4567 1 74 . 1 1 13 13 GLN HB2 H 1 2.27 0.03 . 2 . . . . . . . . 4567 1 75 . 1 1 13 13 GLN HB3 H 1 2.21 0.03 . 2 . . . . . . . . 4567 1 76 . 1 1 13 13 GLN HG2 H 1 2.48 0.03 . 2 . . . . . . . . 4567 1 77 . 1 1 13 13 GLN HG3 H 1 2.56 0.03 . 2 . . . . . . . . 4567 1 78 . 1 1 13 13 GLN HE21 H 1 6.91 0.03 . 2 . . . . . . . . 4567 1 79 . 1 1 13 13 GLN HE22 H 1 7.92 0.03 . 2 . . . . . . . . 4567 1 80 . 1 1 13 13 GLN C C 13 176.27 0.10 . 1 . . . . . . . . 4567 1 81 . 1 1 13 13 GLN CA C 13 58.67 0.20 . 1 . . . . . . . . 4567 1 82 . 1 1 13 13 GLN CB C 13 28.01 0.20 . 1 . . . . . . . . 4567 1 83 . 1 1 13 13 GLN CG C 13 33.38 0.20 . 1 . . . . . . . . 4567 1 84 . 1 1 13 13 GLN CD C 13 180.38 0.20 . 1 . . . . . . . . 4567 1 85 . 1 1 13 13 GLN N N 15 120.96 0.20 . 1 . . . . . . . . 4567 1 86 . 1 1 13 13 GLN NE2 N 15 114.84 0.20 . 1 . . . . . . . . 4567 1 87 . 1 1 14 14 ALA H H 1 8.07 0.02 . 1 . . . . . . . . 4567 1 88 . 1 1 14 14 ALA HA H 1 4.25 0.03 . 1 . . . . . . . . 4567 1 89 . 1 1 14 14 ALA HB1 H 1 1.60 0.03 . 1 . . . . . . . . 4567 1 90 . 1 1 14 14 ALA HB2 H 1 1.60 0.03 . 1 . . . . . . . . 4567 1 91 . 1 1 14 14 ALA HB3 H 1 1.60 0.03 . 1 . . . . . . . . 4567 1 92 . 1 1 14 14 ALA C C 13 181.14 0.10 . 1 . . . . . . . . 4567 1 93 . 1 1 14 14 ALA CA C 13 54.79 0.20 . 1 . . . . . . . . 4567 1 94 . 1 1 14 14 ALA CB C 13 18.54 0.20 . 1 . . . . . . . . 4567 1 95 . 1 1 14 14 ALA N N 15 119.65 0.20 . 1 . . . . . . . . 4567 1 96 . 1 1 15 15 VAL H H 1 7.45 0.02 . 1 . . . . . . . . 4567 1 97 . 1 1 15 15 VAL HA H 1 3.77 0.03 . 1 . . . . . . . . 4567 1 98 . 1 1 15 15 VAL HB H 1 2.35 0.03 . 2 . . . . . . . . 4567 1 99 . 1 1 15 15 VAL HG11 H 1 1.07 0.03 . 2 . . . . . . . . 4567 1 100 . 1 1 15 15 VAL HG12 H 1 1.07 0.03 . 2 . . . . . . . . 4567 1 101 . 1 1 15 15 VAL HG13 H 1 1.07 0.03 . 2 . . . . . . . . 4567 1 102 . 1 1 15 15 VAL HG21 H 1 0.92 0.03 . 2 . . . . . . . . 4567 1 103 . 1 1 15 15 VAL HG22 H 1 0.92 0.03 . 2 . . . . . . . . 4567 1 104 . 1 1 15 15 VAL HG23 H 1 0.92 0.03 . 2 . . . . . . . . 4567 1 105 . 1 1 15 15 VAL C C 13 178.35 0.10 . 1 . . . . . . . . 4567 1 106 . 1 1 15 15 VAL CA C 13 66.04 0.20 . 1 . . . . . . . . 4567 1 107 . 1 1 15 15 VAL CB C 13 31.35 0.20 . 1 . . . . . . . . 4567 1 108 . 1 1 15 15 VAL CG1 C 13 22.92 0.20 . 1 . . . . . . . . 4567 1 109 . 1 1 15 15 VAL CG2 C 13 22.48 0.20 . 1 . . . . . . . . 4567 1 110 . 1 1 15 15 VAL N N 15 116.43 0.20 . 1 . . . . . . . . 4567 1 111 . 1 1 16 16 LYS H H 1 7.80 0.02 . 1 . . . . . . . . 4567 1 112 . 1 1 16 16 LYS HA H 1 4.05 0.03 . 1 . . . . . . . . 4567 1 113 . 1 1 16 16 LYS HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4567 1 114 . 1 1 16 16 LYS C C 13 178.32 0.10 . 1 . . . . . . . . 4567 1 115 . 1 1 16 16 LYS CA C 13 58.91 0.20 . 1 . . . . . . . . 4567 1 116 . 1 1 16 16 LYS CB C 13 32.31 0.20 . 1 . . . . . . . . 4567 1 117 . 1 1 16 16 LYS N N 15 121.31 0.20 . 1 . . . . . . . . 4567 1 118 . 1 1 17 17 ASP H H 1 8.01 0.02 . 1 . . . . . . . . 4567 1 119 . 1 1 17 17 ASP HA H 1 4.62 0.03 . 1 . . . . . . . . 4567 1 120 . 1 1 17 17 ASP HB2 H 1 2.69 0.03 . 2 . . . . . . . . 4567 1 121 . 1 1 17 17 ASP HB3 H 1 2.86 0.03 . 2 . . . . . . . . 4567 1 122 . 1 1 17 17 ASP C C 13 174.98 0.10 . 1 . . . . . . . . 4567 1 123 . 1 1 17 17 ASP CA C 13 54.95 0.20 . 1 . . . . . . . . 4567 1 124 . 1 1 17 17 ASP CB C 13 40.96 0.20 . 1 . . . . . . . . 4567 1 125 . 1 1 17 17 ASP N N 15 116.14 0.20 . 1 . . . . . . . . 4567 1 126 . 1 1 18 18 ASP H H 1 7.26 0.02 . 1 . . . . . . . . 4567 1 127 . 1 1 18 18 ASP HA H 1 5.21 0.03 . 1 . . . . . . . . 4567 1 128 . 1 1 18 18 ASP HB2 H 1 2.93 0.03 . 2 . . . . . . . . 4567 1 129 . 1 1 18 18 ASP HB3 H 1 2.50 0.03 . 2 . . . . . . . . 4567 1 130 . 1 1 18 18 ASP C C 13 175.15 0.10 . 1 . . . . . . . . 4567 1 131 . 1 1 18 18 ASP CA C 13 50.80 0.20 . 1 . . . . . . . . 4567 1 132 . 1 1 18 18 ASP CB C 13 41.21 0.20 . 1 . . . . . . . . 4567 1 133 . 1 1 18 18 ASP N N 15 118.37 0.20 . 1 . . . . . . . . 4567 1 134 . 1 1 19 19 PRO C C 13 178.44 0.10 . 1 . . . . . . . . 4567 1 135 . 1 1 19 19 PRO CA C 13 64.42 0.20 . 1 . . . . . . . . 4567 1 136 . 1 1 19 19 PRO CB C 13 31.69 0.20 . 1 . . . . . . . . 4567 1 137 . 1 1 20 20 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 4567 1 138 . 1 1 20 20 ALA HA H 1 4.07 0.03 . 1 . . . . . . . . 4567 1 139 . 1 1 20 20 ALA HB1 H 1 1.41 0.03 . 1 . . . . . . . . 4567 1 140 . 1 1 20 20 ALA HB2 H 1 1.41 0.03 . 1 . . . . . . . . 4567 1 141 . 1 1 20 20 ALA HB3 H 1 1.41 0.03 . 1 . . . . . . . . 4567 1 142 . 1 1 20 20 ALA C C 13 177.81 0.10 . 1 . . . . . . . . 4567 1 143 . 1 1 20 20 ALA CA C 13 53.44 0.20 . 1 . . . . . . . . 4567 1 144 . 1 1 20 20 ALA CB C 13 18.40 0.20 . 1 . . . . . . . . 4567 1 145 . 1 1 20 20 ALA N N 15 120.58 0.20 . 1 . . . . . . . . 4567 1 146 . 1 1 21 21 ALA H H 1 7.32 0.02 . 1 . . . . . . . . 4567 1 147 . 1 1 21 21 ALA HA H 1 4.21 0.03 . 1 . . . . . . . . 4567 1 148 . 1 1 21 21 ALA HB1 H 1 1.49 0.03 . 1 . . . . . . . . 4567 1 149 . 1 1 21 21 ALA HB2 H 1 1.49 0.03 . 1 . . . . . . . . 4567 1 150 . 1 1 21 21 ALA HB3 H 1 1.49 0.03 . 1 . . . . . . . . 4567 1 151 . 1 1 21 21 ALA C C 13 177.52 0.10 . 1 . . . . . . . . 4567 1 152 . 1 1 21 21 ALA CA C 13 52.96 0.20 . 1 . . . . . . . . 4567 1 153 . 1 1 21 21 ALA CB C 13 18.24 0.20 . 1 . . . . . . . . 4567 1 154 . 1 1 21 21 ALA N N 15 118.95 0.20 . 1 . . . . . . . . 4567 1 155 . 1 1 22 22 HIS HA H 1 4.28 0.03 . 1 . . . . . . . . 4567 1 156 . 1 1 22 22 HIS HB3 H 1 3.35 0.03 . 2 . . . . . . . . 4567 1 157 . 1 1 22 22 HIS C C 13 176.26 0.10 . 1 . . . . . . . . 4567 1 158 . 1 1 22 22 HIS CA C 13 57.19 0.20 . 1 . . . . . . . . 4567 1 159 . 1 1 22 22 HIS CB C 13 27.86 0.20 . 1 . . . . . . . . 4567 1 160 . 1 1 23 23 ILE H H 1 8.01 0.02 . 1 . . . . . . . . 4567 1 161 . 1 1 23 23 ILE HA H 1 5.15 0.03 . 1 . . . . . . . . 4567 1 162 . 1 1 23 23 ILE HB H 1 1.70 0.03 . 1 . . . . . . . . 4567 1 163 . 1 1 23 23 ILE HG13 H 1 1.26 0.03 . 2 . . . . . . . . 4567 1 164 . 1 1 23 23 ILE HD11 H 1 0.87 0.03 . 1 . . . . . . . . 4567 1 165 . 1 1 23 23 ILE HD12 H 1 0.87 0.03 . 1 . . . . . . . . 4567 1 166 . 1 1 23 23 ILE HD13 H 1 0.87 0.03 . 1 . . . . . . . . 4567 1 167 . 1 1 23 23 ILE HG21 H 1 0.98 0.03 . 1 . . . . . . . . 4567 1 168 . 1 1 23 23 ILE HG22 H 1 0.98 0.03 . 1 . . . . . . . . 4567 1 169 . 1 1 23 23 ILE HG23 H 1 0.98 0.03 . 1 . . . . . . . . 4567 1 170 . 1 1 23 23 ILE C C 13 175.98 0.10 . 1 . . . . . . . . 4567 1 171 . 1 1 23 23 ILE CA C 13 58.89 0.20 . 1 . . . . . . . . 4567 1 172 . 1 1 23 23 ILE CB C 13 40.79 0.20 . 1 . . . . . . . . 4567 1 173 . 1 1 23 23 ILE CG1 C 13 27.33 0.20 . 1 . . . . . . . . 4567 1 174 . 1 1 23 23 ILE CD1 C 13 13.71 0.20 . 1 . . . . . . . . 4567 1 175 . 1 1 23 23 ILE CG2 C 13 18.69 0.20 . 1 . . . . . . . . 4567 1 176 . 1 1 23 23 ILE N N 15 119.38 0.20 . 1 . . . . . . . . 4567 1 177 . 1 1 24 24 THR H H 1 8.34 0.02 . 1 . . . . . . . . 4567 1 178 . 1 1 24 24 THR HA H 1 4.73 0.03 . 1 . . . . . . . . 4567 1 179 . 1 1 24 24 THR HB H 1 4.21 0.03 . 1 . . . . . . . . 4567 1 180 . 1 1 24 24 THR HG21 H 1 1.07 0.03 . 1 . . . . . . . . 4567 1 181 . 1 1 24 24 THR HG22 H 1 1.07 0.03 . 1 . . . . . . . . 4567 1 182 . 1 1 24 24 THR HG23 H 1 1.07 0.03 . 1 . . . . . . . . 4567 1 183 . 1 1 24 24 THR C C 13 172.78 0.10 . 1 . . . . . . . . 4567 1 184 . 1 1 24 24 THR CA C 13 60.01 0.20 . 1 . . . . . . . . 4567 1 185 . 1 1 24 24 THR CB C 13 71.51 0.20 . 1 . . . . . . . . 4567 1 186 . 1 1 24 24 THR N N 15 115.68 0.20 . 1 . . . . . . . . 4567 1 187 . 1 1 25 25 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 4567 1 188 . 1 1 25 25 LEU HA H 1 5.06 0.03 . 1 . . . . . . . . 4567 1 189 . 1 1 25 25 LEU HB3 H 1 1.35 0.03 . 2 . . . . . . . . 4567 1 190 . 1 1 25 25 LEU HD11 H 1 0.73 0.03 . 1 . . . . . . . . 4567 1 191 . 1 1 25 25 LEU HD12 H 1 0.73 0.03 . 1 . . . . . . . . 4567 1 192 . 1 1 25 25 LEU HD13 H 1 0.73 0.03 . 1 . . . . . . . . 4567 1 193 . 1 1 25 25 LEU C C 13 174.10 0.10 . 1 . . . . . . . . 4567 1 194 . 1 1 25 25 LEU CA C 13 54.38 0.20 . 1 . . . . . . . . 4567 1 195 . 1 1 25 25 LEU CB C 13 46.52 0.20 . 1 . . . . . . . . 4567 1 196 . 1 1 25 25 LEU CD1 C 13 25.76 0.20 . 2 . . . . . . . . 4567 1 197 . 1 1 25 25 LEU N N 15 122.37 0.20 . 1 . . . . . . . . 4567 1 198 . 1 1 26 26 GLU H H 1 8.33 0.02 . 1 . . . . . . . . 4567 1 199 . 1 1 26 26 GLU HA H 1 4.61 0.03 . 1 . . . . . . . . 4567 1 200 . 1 1 26 26 GLU HB3 H 1 1.75 0.03 . 2 . . . . . . . . 4567 1 201 . 1 1 26 26 GLU C C 13 175.32 0.10 . 1 . . . . . . . . 4567 1 202 . 1 1 26 26 GLU CA C 13 53.87 0.20 . 1 . . . . . . . . 4567 1 203 . 1 1 26 26 GLU CB C 13 34.28 0.20 . 1 . . . . . . . . 4567 1 204 . 1 1 26 26 GLU N N 15 120.80 0.20 . 1 . . . . . . . . 4567 1 205 . 1 1 27 27 PHE H H 1 8.50 0.02 . 1 . . . . . . . . 4567 1 206 . 1 1 27 27 PHE HA H 1 4.39 0.03 . 1 . . . . . . . . 4567 1 207 . 1 1 27 27 PHE HB2 H 1 2.82 0.03 . 2 . . . . . . . . 4567 1 208 . 1 1 27 27 PHE HB3 H 1 2.75 0.03 . 2 . . . . . . . . 4567 1 209 . 1 1 27 27 PHE C C 13 177.05 0.10 . 1 . . . . . . . . 4567 1 210 . 1 1 27 27 PHE CA C 13 58.19 0.20 . 1 . . . . . . . . 4567 1 211 . 1 1 27 27 PHE CB C 13 39.26 0.20 . 1 . . . . . . . . 4567 1 212 . 1 1 27 27 PHE N N 15 120.36 0.20 . 1 . . . . . . . . 4567 1 213 . 1 1 28 28 VAL H H 1 8.15 0.02 . 1 . . . . . . . . 4567 1 214 . 1 1 28 28 VAL HA H 1 3.76 0.03 . 1 . . . . . . . . 4567 1 215 . 1 1 28 28 VAL HB H 1 1.73 0.03 . 1 . . . . . . . . 4567 1 216 . 1 1 28 28 VAL HG11 H 1 0.41 0.03 . 2 . . . . . . . . 4567 1 217 . 1 1 28 28 VAL HG12 H 1 0.41 0.03 . 2 . . . . . . . . 4567 1 218 . 1 1 28 28 VAL HG13 H 1 0.41 0.03 . 2 . . . . . . . . 4567 1 219 . 1 1 28 28 VAL HG21 H 1 0.81 0.03 . 2 . . . . . . . . 4567 1 220 . 1 1 28 28 VAL HG22 H 1 0.81 0.03 . 2 . . . . . . . . 4567 1 221 . 1 1 28 28 VAL HG23 H 1 0.81 0.03 . 2 . . . . . . . . 4567 1 222 . 1 1 28 28 VAL C C 13 176.21 0.10 . 1 . . . . . . . . 4567 1 223 . 1 1 28 28 VAL CA C 13 65.09 0.20 . 1 . . . . . . . . 4567 1 224 . 1 1 28 28 VAL CB C 13 31.63 0.20 . 1 . . . . . . . . 4567 1 225 . 1 1 28 28 VAL CG1 C 13 21.78 0.20 . 1 . . . . . . . . 4567 1 226 . 1 1 28 28 VAL CG2 C 13 20.99 0.20 . 1 . . . . . . . . 4567 1 227 . 1 1 28 28 VAL N N 15 123.05 0.20 . 1 . . . . . . . . 4567 1 228 . 1 1 29 29 SER H H 1 8.97 0.02 . 1 . . . . . . . . 4567 1 229 . 1 1 29 29 SER HA H 1 4.73 0.03 . 1 . . . . . . . . 4567 1 230 . 1 1 29 29 SER HB2 H 1 3.80 0.03 . 2 . . . . . . . . 4567 1 231 . 1 1 29 29 SER HB3 H 1 3.97 0.03 . 2 . . . . . . . . 4567 1 232 . 1 1 29 29 SER CA C 13 56.51 0.20 . 1 . . . . . . . . 4567 1 233 . 1 1 29 29 SER CB C 13 65.00 0.20 . 1 . . . . . . . . 4567 1 234 . 1 1 29 29 SER N N 15 114.43 0.20 . 1 . . . . . . . . 4567 1 235 . 1 1 30 30 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 4567 1 236 . 1 1 30 30 GLU HA H 1 4.41 0.03 . 1 . . . . . . . . 4567 1 237 . 1 1 30 30 GLU C C 13 176.21 0.10 . 1 . . . . . . . . 4567 1 238 . 1 1 30 30 GLU CA C 13 58.41 0.20 . 1 . . . . . . . . 4567 1 239 . 1 1 30 30 GLU CB C 13 29.51 0.20 . 1 . . . . . . . . 4567 1 240 . 1 1 30 30 GLU N N 15 116.66 0.20 . 1 . . . . . . . . 4567 1 241 . 1 1 31 31 SER H H 1 7.94 0.02 . 1 . . . . . . . . 4567 1 242 . 1 1 31 31 SER HA H 1 4.30 0.03 . 1 . . . . . . . . 4567 1 243 . 1 1 31 31 SER HB2 H 1 3.85 0.03 . 2 . . . . . . . . 4567 1 244 . 1 1 31 31 SER HB3 H 1 3.92 0.03 . 2 . . . . . . . . 4567 1 245 . 1 1 31 31 SER C C 13 173.56 0.10 . 1 . . . . . . . . 4567 1 246 . 1 1 31 31 SER CA C 13 58.83 0.20 . 1 . . . . . . . . 4567 1 247 . 1 1 31 31 SER CB C 13 63.52 0.20 . 1 . . . . . . . . 4567 1 248 . 1 1 31 31 SER N N 15 112.03 0.20 . 1 . . . . . . . . 4567 1 249 . 1 1 32 32 ASP H H 1 7.50 0.02 . 1 . . . . . . . . 4567 1 250 . 1 1 32 32 ASP HA H 1 4.98 0.03 . 1 . . . . . . . . 4567 1 251 . 1 1 32 32 ASP HB2 H 1 2.91 0.03 . 2 . . . . . . . . 4567 1 252 . 1 1 32 32 ASP HB3 H 1 2.59 0.03 . 2 . . . . . . . . 4567 1 253 . 1 1 32 32 ASP C C 13 175.90 0.10 . 1 . . . . . . . . 4567 1 254 . 1 1 32 32 ASP CA C 13 53.14 0.20 . 1 . . . . . . . . 4567 1 255 . 1 1 32 32 ASP CB C 13 42.39 0.20 . 1 . . . . . . . . 4567 1 256 . 1 1 32 32 ASP N N 15 121.51 0.20 . 1 . . . . . . . . 4567 1 257 . 1 1 33 33 ILE H H 1 8.02 0.02 . 1 . . . . . . . . 4567 1 258 . 1 1 33 33 ILE HA H 1 4.15 0.03 . 1 . . . . . . . . 4567 1 259 . 1 1 33 33 ILE HB H 1 1.98 0.03 . 1 . . . . . . . . 4567 1 260 . 1 1 33 33 ILE HG12 H 1 1.06 0.03 . 2 . . . . . . . . 4567 1 261 . 1 1 33 33 ILE HG13 H 1 1.12 0.03 . 2 . . . . . . . . 4567 1 262 . 1 1 33 33 ILE HD11 H 1 0.77 0.03 . 1 . . . . . . . . 4567 1 263 . 1 1 33 33 ILE HD12 H 1 0.77 0.03 . 1 . . . . . . . . 4567 1 264 . 1 1 33 33 ILE HD13 H 1 0.77 0.03 . 1 . . . . . . . . 4567 1 265 . 1 1 33 33 ILE HG21 H 1 0.57 0.03 . 1 . . . . . . . . 4567 1 266 . 1 1 33 33 ILE HG22 H 1 0.57 0.03 . 1 . . . . . . . . 4567 1 267 . 1 1 33 33 ILE HG23 H 1 0.57 0.03 . 1 . . . . . . . . 4567 1 268 . 1 1 33 33 ILE CA C 13 61.43 0.20 . 1 . . . . . . . . 4567 1 269 . 1 1 33 33 ILE CB C 13 38.34 0.20 . 1 . . . . . . . . 4567 1 270 . 1 1 33 33 ILE CG1 C 13 26.28 0.20 . 1 . . . . . . . . 4567 1 271 . 1 1 33 33 ILE CD1 C 13 14.63 0.20 . 1 . . . . . . . . 4567 1 272 . 1 1 33 33 ILE CG2 C 13 17.32 0.20 . 1 . . . . . . . . 4567 1 273 . 1 1 33 33 ILE N N 15 118.13 0.20 . 1 . . . . . . . . 4567 1 274 . 1 1 34 34 HIS H H 1 7.99 0.02 . 1 . . . . . . . . 4567 1 275 . 1 1 34 34 HIS HA H 1 4.49 0.03 . 1 . . . . . . . . 4567 1 276 . 1 1 34 34 HIS HB3 H 1 3.30 0.03 . 2 . . . . . . . . 4567 1 277 . 1 1 34 34 HIS CA C 13 56.60 0.20 . 1 . . . . . . . . 4567 1 278 . 1 1 34 34 HIS CB C 13 30.51 0.20 . 1 . . . . . . . . 4567 1 279 . 1 1 34 34 HIS N N 15 112.83 0.20 . 1 . . . . . . . . 4567 1 280 . 1 1 35 35 HIS H H 1 7.23 0.02 . 1 . . . . . . . . 4567 1 281 . 1 1 35 35 HIS HA H 1 5.72 0.03 . 1 . . . . . . . . 4567 1 282 . 1 1 35 35 HIS HB2 H 1 2.77 0.03 . 2 . . . . . . . . 4567 1 283 . 1 1 35 35 HIS HB3 H 1 3.30 0.03 . 2 . . . . . . . . 4567 1 284 . 1 1 35 35 HIS C C 13 173.93 0.10 . 1 . . . . . . . . 4567 1 285 . 1 1 35 35 HIS CA C 13 53.81 0.20 . 1 . . . . . . . . 4567 1 286 . 1 1 35 35 HIS CB C 13 30.80 0.20 . 1 . . . . . . . . 4567 1 287 . 1 1 35 35 HIS N N 15 118.61 0.20 . 1 . . . . . . . . 4567 1 288 . 1 1 36 36 LEU H H 1 9.70 0.02 . 1 . . . . . . . . 4567 1 289 . 1 1 36 36 LEU HA H 1 5.31 0.03 . 1 . . . . . . . . 4567 1 290 . 1 1 36 36 LEU HB3 H 1 1.22 0.03 . 2 . . . . . . . . 4567 1 291 . 1 1 36 36 LEU C C 13 174.85 0.10 . 1 . . . . . . . . 4567 1 292 . 1 1 36 36 LEU CA C 13 54.28 0.20 . 1 . . . . . . . . 4567 1 293 . 1 1 36 36 LEU CB C 13 46.77 0.20 . 1 . . . . . . . . 4567 1 294 . 1 1 36 36 LEU N N 15 128.26 0.20 . 1 . . . . . . . . 4567 1 295 . 1 1 37 37 LYS H H 1 8.63 0.02 . 1 . . . . . . . . 4567 1 296 . 1 1 37 37 LYS HA H 1 5.24 0.03 . 1 . . . . . . . . 4567 1 297 . 1 1 37 37 LYS HB3 H 1 1.61 0.03 . 2 . . . . . . . . 4567 1 298 . 1 1 37 37 LYS C C 13 177.37 0.10 . 1 . . . . . . . . 4567 1 299 . 1 1 37 37 LYS CA C 13 53.73 0.20 . 1 . . . . . . . . 4567 1 300 . 1 1 37 37 LYS CB C 13 34.92 0.20 . 1 . . . . . . . . 4567 1 301 . 1 1 37 37 LYS N N 15 115.69 0.20 . 1 . . . . . . . . 4567 1 302 . 1 1 38 38 GLY H H 1 9.65 0.02 . 1 . . . . . . . . 4567 1 303 . 1 1 38 38 GLY HA2 H 1 5.58 0.03 . 2 . . . . . . . . 4567 1 304 . 1 1 38 38 GLY HA3 H 1 3.28 0.03 . 2 . . . . . . . . 4567 1 305 . 1 1 38 38 GLY C C 13 171.73 0.10 . 1 . . . . . . . . 4567 1 306 . 1 1 38 38 GLY CA C 13 44.02 0.20 . 1 . . . . . . . . 4567 1 307 . 1 1 38 38 GLY N N 15 113.72 0.20 . 1 . . . . . . . . 4567 1 308 . 1 1 39 39 THR H H 1 8.70 0.02 . 1 . . . . . . . . 4567 1 309 . 1 1 39 39 THR HA H 1 5.93 0.03 . 1 . . . . . . . . 4567 1 310 . 1 1 39 39 THR HB H 1 3.94 0.03 . 1 . . . . . . . . 4567 1 311 . 1 1 39 39 THR HG21 H 1 1.07 0.03 . 1 . . . . . . . . 4567 1 312 . 1 1 39 39 THR HG22 H 1 1.07 0.03 . 1 . . . . . . . . 4567 1 313 . 1 1 39 39 THR HG23 H 1 1.07 0.03 . 1 . . . . . . . . 4567 1 314 . 1 1 39 39 THR C C 13 173.03 0.10 . 1 . . . . . . . . 4567 1 315 . 1 1 39 39 THR CA C 13 60.09 0.20 . 1 . . . . . . . . 4567 1 316 . 1 1 39 39 THR CB C 13 72.02 0.20 . 1 . . . . . . . . 4567 1 317 . 1 1 39 39 THR N N 15 114.75 0.20 . 1 . . . . . . . . 4567 1 318 . 1 1 40 40 PHE H H 1 8.40 0.02 . 1 . . . . . . . . 4567 1 319 . 1 1 40 40 PHE HA H 1 5.33 0.03 . 1 . . . . . . . . 4567 1 320 . 1 1 40 40 PHE HB2 H 1 3.05 0.03 . 2 . . . . . . . . 4567 1 321 . 1 1 40 40 PHE HB3 H 1 3.37 0.03 . 2 . . . . . . . . 4567 1 322 . 1 1 40 40 PHE C C 13 172.65 0.10 . 1 . . . . . . . . 4567 1 323 . 1 1 40 40 PHE CA C 13 55.66 0.20 . 1 . . . . . . . . 4567 1 324 . 1 1 40 40 PHE CB C 13 41.58 0.20 . 1 . . . . . . . . 4567 1 325 . 1 1 40 40 PHE N N 15 116.24 0.20 . 1 . . . . . . . . 4567 1 326 . 1 1 41 41 LEU H H 1 9.17 0.02 . 1 . . . . . . . . 4567 1 327 . 1 1 41 41 LEU HA H 1 5.49 0.03 . 1 . . . . . . . . 4567 1 328 . 1 1 41 41 LEU HB3 H 1 1.96 0.03 . 2 . . . . . . . . 4567 1 329 . 1 1 41 41 LEU HD11 H 1 0.87 0.03 . 2 . . . . . . . . 4567 1 330 . 1 1 41 41 LEU HD12 H 1 0.87 0.03 . 2 . . . . . . . . 4567 1 331 . 1 1 41 41 LEU HD13 H 1 0.87 0.03 . 2 . . . . . . . . 4567 1 332 . 1 1 41 41 LEU C C 13 179.22 0.10 . 1 . . . . . . . . 4567 1 333 . 1 1 41 41 LEU CA C 13 52.97 0.20 . 1 . . . . . . . . 4567 1 334 . 1 1 41 41 LEU CB C 13 42.44 0.20 . 1 . . . . . . . . 4567 1 335 . 1 1 41 41 LEU CD1 C 13 25.09 0.20 . 1 . . . . . . . . 4567 1 336 . 1 1 41 41 LEU N N 15 119.64 0.20 . 1 . . . . . . . . 4567 1 337 . 1 1 42 42 GLY H H 1 9.30 0.02 . 1 . . . . . . . . 4567 1 338 . 1 1 42 42 GLY CA C 13 44.33 0.20 . 1 . . . . . . . . 4567 1 339 . 1 1 42 42 GLY N N 15 108.26 0.20 . 1 . . . . . . . . 4567 1 340 . 1 1 44 44 PRO C C 13 177.57 0.10 . 1 . . . . . . . . 4567 1 341 . 1 1 44 44 PRO CA C 13 62.80 0.20 . 1 . . . . . . . . 4567 1 342 . 1 1 44 44 PRO CB C 13 32.16 0.20 . 1 . . . . . . . . 4567 1 343 . 1 1 45 45 GLY H H 1 9.36 0.02 . 1 . . . . . . . . 4567 1 344 . 1 1 45 45 GLY HA2 H 1 4.73 0.03 . 2 . . . . . . . . 4567 1 345 . 1 1 45 45 GLY HA3 H 1 4.18 0.03 . 2 . . . . . . . . 4567 1 346 . 1 1 45 45 GLY C C 13 173.97 0.10 . 1 . . . . . . . . 4567 1 347 . 1 1 45 45 GLY CA C 13 45.95 0.20 . 1 . . . . . . . . 4567 1 348 . 1 1 45 45 GLY N N 15 109.73 0.20 . 1 . . . . . . . . 4567 1 349 . 1 1 46 46 THR H H 1 7.36 0.02 . 1 . . . . . . . . 4567 1 350 . 1 1 46 46 THR HA H 1 5.16 0.03 . 1 . . . . . . . . 4567 1 351 . 1 1 46 46 THR HB H 1 3.11 0.03 . 1 . . . . . . . . 4567 1 352 . 1 1 46 46 THR HG21 H 1 1.38 0.03 . 1 . . . . . . . . 4567 1 353 . 1 1 46 46 THR HG22 H 1 1.38 0.03 . 1 . . . . . . . . 4567 1 354 . 1 1 46 46 THR HG23 H 1 1.38 0.03 . 1 . . . . . . . . 4567 1 355 . 1 1 46 46 THR C C 13 174.59 0.10 . 1 . . . . . . . . 4567 1 356 . 1 1 46 46 THR CA C 13 59.17 0.20 . 1 . . . . . . . . 4567 1 357 . 1 1 46 46 THR CB C 13 70.60 0.20 . 1 . . . . . . . . 4567 1 358 . 1 1 46 46 THR CG2 C 13 21.71 0.20 . 1 . . . . . . . . 4567 1 359 . 1 1 46 46 THR N N 15 107.90 0.20 . 1 . . . . . . . . 4567 1 360 . 1 1 47 47 PRO C C 13 175.11 0.10 . 1 . . . . . . . . 4567 1 361 . 1 1 47 47 PRO CA C 13 63.92 0.20 . 1 . . . . . . . . 4567 1 362 . 1 1 47 47 PRO CB C 13 32.64 0.20 . 1 . . . . . . . . 4567 1 363 . 1 1 48 48 TYR H H 1 7.20 0.02 . 1 . . . . . . . . 4567 1 364 . 1 1 48 48 TYR HA H 1 5.28 0.03 . 1 . . . . . . . . 4567 1 365 . 1 1 48 48 TYR HB2 H 1 2.40 0.03 . 2 . . . . . . . . 4567 1 366 . 1 1 48 48 TYR HB3 H 1 2.47 0.03 . 2 . . . . . . . . 4567 1 367 . 1 1 48 48 TYR C C 13 175.60 0.10 . 1 . . . . . . . . 4567 1 368 . 1 1 48 48 TYR CA C 13 56.15 0.20 . 1 . . . . . . . . 4567 1 369 . 1 1 48 48 TYR CB C 13 38.48 0.20 . 1 . . . . . . . . 4567 1 370 . 1 1 48 48 TYR N N 15 116.75 0.20 . 1 . . . . . . . . 4567 1 371 . 1 1 49 49 GLU H H 1 7.54 0.02 . 1 . . . . . . . . 4567 1 372 . 1 1 49 49 GLU HA H 1 3.67 0.03 . 1 . . . . . . . . 4567 1 373 . 1 1 49 49 GLU C C 13 177.01 0.10 . 1 . . . . . . . . 4567 1 374 . 1 1 49 49 GLU CA C 13 58.00 0.20 . 1 . . . . . . . . 4567 1 375 . 1 1 49 49 GLU CB C 13 30.02 0.20 . 1 . . . . . . . . 4567 1 376 . 1 1 49 49 GLU N N 15 122.78 0.20 . 1 . . . . . . . . 4567 1 377 . 1 1 50 50 GLY H H 1 9.36 0.02 . 1 . . . . . . . . 4567 1 378 . 1 1 50 50 GLY HA2 H 1 4.35 0.03 . 2 . . . . . . . . 4567 1 379 . 1 1 50 50 GLY HA3 H 1 3.72 0.03 . 2 . . . . . . . . 4567 1 380 . 1 1 50 50 GLY C C 13 174.77 0.10 . 1 . . . . . . . . 4567 1 381 . 1 1 50 50 GLY CA C 13 45.01 0.20 . 1 . . . . . . . . 4567 1 382 . 1 1 50 50 GLY N N 15 115.75 0.20 . 1 . . . . . . . . 4567 1 383 . 1 1 51 51 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 4567 1 384 . 1 1 51 51 GLY HA2 H 1 3.31 0.03 . 2 . . . . . . . . 4567 1 385 . 1 1 51 51 GLY HA3 H 1 4.21 0.03 . 2 . . . . . . . . 4567 1 386 . 1 1 51 51 GLY C C 13 171.71 0.10 . 1 . . . . . . . . 4567 1 387 . 1 1 51 51 GLY CA C 13 45.16 0.20 . 1 . . . . . . . . 4567 1 388 . 1 1 51 51 GLY N N 15 107.32 0.20 . 1 . . . . . . . . 4567 1 389 . 1 1 52 52 LYS H H 1 8.70 0.02 . 1 . . . . . . . . 4567 1 390 . 1 1 52 52 LYS HA H 1 4.62 0.03 . 1 . . . . . . . . 4567 1 391 . 1 1 52 52 LYS HB3 H 1 1.47 0.03 . 2 . . . . . . . . 4567 1 392 . 1 1 52 52 LYS C C 13 173.60 0.10 . 1 . . . . . . . . 4567 1 393 . 1 1 52 52 LYS CA C 13 55.51 0.20 . 1 . . . . . . . . 4567 1 394 . 1 1 52 52 LYS CB C 13 33.45 0.20 . 1 . . . . . . . . 4567 1 395 . 1 1 52 52 LYS N N 15 125.46 0.20 . 1 . . . . . . . . 4567 1 396 . 1 1 53 53 PHE H H 1 8.69 0.02 . 1 . . . . . . . . 4567 1 397 . 1 1 53 53 PHE HA H 1 4.42 0.03 . 1 . . . . . . . . 4567 1 398 . 1 1 53 53 PHE HB2 H 1 2.40 0.03 . 2 . . . . . . . . 4567 1 399 . 1 1 53 53 PHE HB3 H 1 2.35 0.03 . 2 . . . . . . . . 4567 1 400 . 1 1 53 53 PHE C C 13 173.54 0.10 . 1 . . . . . . . . 4567 1 401 . 1 1 53 53 PHE CA C 13 57.47 0.20 . 1 . . . . . . . . 4567 1 402 . 1 1 53 53 PHE CB C 13 41.16 0.20 . 1 . . . . . . . . 4567 1 403 . 1 1 53 53 PHE N N 15 125.06 0.20 . 1 . . . . . . . . 4567 1 404 . 1 1 54 54 VAL H H 1 8.86 0.02 . 1 . . . . . . . . 4567 1 405 . 1 1 54 54 VAL HA H 1 4.65 0.03 . 1 . . . . . . . . 4567 1 406 . 1 1 54 54 VAL HB H 1 1.97 0.03 . 1 . . . . . . . . 4567 1 407 . 1 1 54 54 VAL C C 13 175.58 0.10 . 1 . . . . . . . . 4567 1 408 . 1 1 54 54 VAL CA C 13 60.87 0.20 . 1 . . . . . . . . 4567 1 409 . 1 1 54 54 VAL N N 15 120.87 0.20 . 1 . . . . . . . . 4567 1 410 . 1 1 55 55 VAL H H 1 9.65 0.02 . 1 . . . . . . . . 4567 1 411 . 1 1 55 55 VAL HA H 1 4.20 0.03 . 1 . . . . . . . . 4567 1 412 . 1 1 55 55 VAL HB H 1 1.57 0.03 . 1 . . . . . . . . 4567 1 413 . 1 1 55 55 VAL HG11 H 1 0.43 0.03 . 2 . . . . . . . . 4567 1 414 . 1 1 55 55 VAL HG12 H 1 0.43 0.03 . 2 . . . . . . . . 4567 1 415 . 1 1 55 55 VAL HG13 H 1 0.43 0.03 . 2 . . . . . . . . 4567 1 416 . 1 1 55 55 VAL HG21 H 1 0.26 0.03 . 2 . . . . . . . . 4567 1 417 . 1 1 55 55 VAL HG22 H 1 0.26 0.03 . 2 . . . . . . . . 4567 1 418 . 1 1 55 55 VAL HG23 H 1 0.26 0.03 . 2 . . . . . . . . 4567 1 419 . 1 1 55 55 VAL C C 13 173.96 0.10 . 1 . . . . . . . . 4567 1 420 . 1 1 55 55 VAL CA C 13 60.64 0.20 . 1 . . . . . . . . 4567 1 421 . 1 1 55 55 VAL CB C 13 34.94 0.20 . 1 . . . . . . . . 4567 1 422 . 1 1 55 55 VAL CG1 C 13 21.12 0.20 . 1 . . . . . . . . 4567 1 423 . 1 1 55 55 VAL CG2 C 13 20.95 0.20 . 1 . . . . . . . . 4567 1 424 . 1 1 55 55 VAL N N 15 128.01 0.20 . 1 . . . . . . . . 4567 1 425 . 1 1 56 56 ASP H H 1 9.28 0.02 . 1 . . . . . . . . 4567 1 426 . 1 1 56 56 ASP HA H 1 4.80 0.03 . 1 . . . . . . . . 4567 1 427 . 1 1 56 56 ASP HB3 H 1 2.71 0.03 . 2 . . . . . . . . 4567 1 428 . 1 1 56 56 ASP C C 13 175.37 0.10 . 1 . . . . . . . . 4567 1 429 . 1 1 56 56 ASP CA C 13 55.44 0.20 . 1 . . . . . . . . 4567 1 430 . 1 1 56 56 ASP CB C 13 44.08 0.20 . 1 . . . . . . . . 4567 1 431 . 1 1 56 56 ASP N N 15 128.35 0.20 . 1 . . . . . . . . 4567 1 432 . 1 1 57 57 ILE H H 1 8.82 0.02 . 1 . . . . . . . . 4567 1 433 . 1 1 57 57 ILE HA H 1 4.93 0.03 . 1 . . . . . . . . 4567 1 434 . 1 1 57 57 ILE HB H 1 1.59 0.03 . 1 . . . . . . . . 4567 1 435 . 1 1 57 57 ILE HG21 H 1 0.62 0.03 . 1 . . . . . . . . 4567 1 436 . 1 1 57 57 ILE HG22 H 1 0.62 0.03 . 1 . . . . . . . . 4567 1 437 . 1 1 57 57 ILE HG23 H 1 0.62 0.03 . 1 . . . . . . . . 4567 1 438 . 1 1 57 57 ILE C C 13 174.29 0.10 . 1 . . . . . . . . 4567 1 439 . 1 1 57 57 ILE CA C 13 60.41 0.20 . 1 . . . . . . . . 4567 1 440 . 1 1 57 57 ILE CB C 13 41.09 0.20 . 1 . . . . . . . . 4567 1 441 . 1 1 57 57 ILE CG2 C 13 17.66 0.20 . 1 . . . . . . . . 4567 1 442 . 1 1 57 57 ILE N N 15 124.66 0.20 . 1 . . . . . . . . 4567 1 443 . 1 1 58 58 GLU H H 1 9.02 0.02 . 1 . . . . . . . . 4567 1 444 . 1 1 58 58 GLU HA H 1 5.22 0.03 . 1 . . . . . . . . 4567 1 445 . 1 1 58 58 GLU HB3 H 1 1.86 0.03 . 2 . . . . . . . . 4567 1 446 . 1 1 58 58 GLU HG2 H 1 2.05 0.03 . 2 . . . . . . . . 4567 1 447 . 1 1 58 58 GLU HG3 H 1 1.77 0.03 . 2 . . . . . . . . 4567 1 448 . 1 1 58 58 GLU C C 13 175.82 0.10 . 1 . . . . . . . . 4567 1 449 . 1 1 58 58 GLU CA C 13 54.32 0.20 . 1 . . . . . . . . 4567 1 450 . 1 1 58 58 GLU CB C 13 32.28 0.20 . 1 . . . . . . . . 4567 1 451 . 1 1 58 58 GLU CG C 13 36.35 0.20 . 1 . . . . . . . . 4567 1 452 . 1 1 58 58 GLU N N 15 128.21 0.20 . 1 . . . . . . . . 4567 1 453 . 1 1 59 59 VAL H H 1 9.24 0.02 . 1 . . . . . . . . 4567 1 454 . 1 1 59 59 VAL HA H 1 4.10 0.03 . 1 . . . . . . . . 4567 1 455 . 1 1 59 59 VAL HB H 1 1.97 0.03 . 1 . . . . . . . . 4567 1 456 . 1 1 59 59 VAL HG11 H 1 0.65 0.03 . 2 . . . . . . . . 4567 1 457 . 1 1 59 59 VAL HG12 H 1 0.65 0.03 . 2 . . . . . . . . 4567 1 458 . 1 1 59 59 VAL HG13 H 1 0.65 0.03 . 2 . . . . . . . . 4567 1 459 . 1 1 59 59 VAL HG21 H 1 0.48 0.03 . 2 . . . . . . . . 4567 1 460 . 1 1 59 59 VAL HG22 H 1 0.48 0.03 . 2 . . . . . . . . 4567 1 461 . 1 1 59 59 VAL HG23 H 1 0.48 0.03 . 2 . . . . . . . . 4567 1 462 . 1 1 59 59 VAL C C 13 173.93 0.10 . 1 . . . . . . . . 4567 1 463 . 1 1 59 59 VAL CA C 13 59.48 0.20 . 1 . . . . . . . . 4567 1 464 . 1 1 59 59 VAL CB C 13 32.49 0.20 . 1 . . . . . . . . 4567 1 465 . 1 1 59 59 VAL CG1 C 13 21.38 0.20 . 1 . . . . . . . . 4567 1 466 . 1 1 59 59 VAL CG2 C 13 21.74 0.20 . 1 . . . . . . . . 4567 1 467 . 1 1 59 59 VAL N N 15 127.40 0.20 . 1 . . . . . . . . 4567 1 468 . 1 1 61 61 MET HA H 1 4.15 0.03 . 1 . . . . . . . . 4567 1 469 . 1 1 61 61 MET HB2 H 1 2.70 0.03 . 2 . . . . . . . . 4567 1 470 . 1 1 61 61 MET HB3 H 1 2.59 0.03 . 2 . . . . . . . . 4567 1 471 . 1 1 61 61 MET HG3 H 1 2.11 0.03 . 1 . . . . . . . . 4567 1 472 . 1 1 61 61 MET C C 13 177.90 0.10 . 1 . . . . . . . . 4567 1 473 . 1 1 61 61 MET CA C 13 58.05 0.20 . 1 . . . . . . . . 4567 1 474 . 1 1 61 61 MET CB C 13 31.92 0.20 . 1 . . . . . . . . 4567 1 475 . 1 1 61 61 MET CG C 13 31.50 0.20 . 1 . . . . . . . . 4567 1 476 . 1 1 62 62 GLU H H 1 8.74 0.02 . 1 . . . . . . . . 4567 1 477 . 1 1 62 62 GLU HA H 1 4.41 0.03 . 1 . . . . . . . . 4567 1 478 . 1 1 62 62 GLU HB2 H 1 2.48 0.03 . 2 . . . . . . . . 4567 1 479 . 1 1 62 62 GLU HB3 H 1 2.31 0.03 . 2 . . . . . . . . 4567 1 480 . 1 1 62 62 GLU HG2 H 1 2.49 0.03 . 2 . . . . . . . . 4567 1 481 . 1 1 62 62 GLU HG3 H 1 2.27 0.03 . 2 . . . . . . . . 4567 1 482 . 1 1 62 62 GLU C C 13 176.51 0.10 . 1 . . . . . . . . 4567 1 483 . 1 1 62 62 GLU CA C 13 57.08 0.20 . 1 . . . . . . . . 4567 1 484 . 1 1 62 62 GLU CB C 13 29.38 0.20 . 1 . . . . . . . . 4567 1 485 . 1 1 62 62 GLU CG C 13 37.04 0.20 . 1 . . . . . . . . 4567 1 486 . 1 1 62 62 GLU N N 15 113.73 0.20 . 1 . . . . . . . . 4567 1 487 . 1 1 63 63 TYR H H 1 7.67 0.02 . 1 . . . . . . . . 4567 1 488 . 1 1 63 63 TYR HA H 1 4.54 0.03 . 1 . . . . . . . . 4567 1 489 . 1 1 63 63 TYR C C 13 174.59 0.10 . 1 . . . . . . . . 4567 1 490 . 1 1 63 63 TYR CA C 13 57.99 0.20 . 1 . . . . . . . . 4567 1 491 . 1 1 63 63 TYR CB C 13 41.02 0.20 . 1 . . . . . . . . 4567 1 492 . 1 1 63 63 TYR N N 15 123.10 0.20 . 1 . . . . . . . . 4567 1 493 . 1 1 64 64 PRO C C 13 174.50 0.10 . 1 . . . . . . . . 4567 1 494 . 1 1 64 64 PRO CA C 13 63.62 0.20 . 1 . . . . . . . . 4567 1 495 . 1 1 64 64 PRO CB C 13 33.24 0.20 . 1 . . . . . . . . 4567 1 496 . 1 1 65 65 PHE H H 1 9.07 0.02 . 1 . . . . . . . . 4567 1 497 . 1 1 65 65 PHE HA H 1 4.41 0.03 . 1 . . . . . . . . 4567 1 498 . 1 1 65 65 PHE HB2 H 1 3.43 0.03 . 2 . . . . . . . . 4567 1 499 . 1 1 65 65 PHE HB3 H 1 3.13 0.03 . 2 . . . . . . . . 4567 1 500 . 1 1 65 65 PHE C C 13 175.37 0.10 . 1 . . . . . . . . 4567 1 501 . 1 1 65 65 PHE CA C 13 60.24 0.20 . 1 . . . . . . . . 4567 1 502 . 1 1 65 65 PHE CB C 13 38.30 0.20 . 1 . . . . . . . . 4567 1 503 . 1 1 65 65 PHE N N 15 125.05 0.20 . 1 . . . . . . . . 4567 1 504 . 1 1 66 66 LYS H H 1 7.00 0.02 . 1 . . . . . . . . 4567 1 505 . 1 1 66 66 LYS HA H 1 4.46 0.03 . 1 . . . . . . . . 4567 1 506 . 1 1 66 66 LYS HB3 H 1 1.67 0.03 . 2 . . . . . . . . 4567 1 507 . 1 1 66 66 LYS HG3 H 1 1.48 0.03 . 2 . . . . . . . . 4567 1 508 . 1 1 66 66 LYS HD3 H 1 1.78 0.03 . 2 . . . . . . . . 4567 1 509 . 1 1 66 66 LYS HE3 H 1 3.02 0.03 . 2 . . . . . . . . 4567 1 510 . 1 1 66 66 LYS C C 13 171.44 0.10 . 1 . . . . . . . . 4567 1 511 . 1 1 66 66 LYS CA C 13 52.33 0.20 . 1 . . . . . . . . 4567 1 512 . 1 1 66 66 LYS CB C 13 35.49 0.20 . 1 . . . . . . . . 4567 1 513 . 1 1 66 66 LYS CG C 13 25.13 0.20 . 1 . . . . . . . . 4567 1 514 . 1 1 66 66 LYS CD C 13 28.91 0.20 . 1 . . . . . . . . 4567 1 515 . 1 1 66 66 LYS N N 15 118.69 0.20 . 1 . . . . . . . . 4567 1 516 . 1 1 68 68 PRO C C 13 176.28 0.10 . 1 . . . . . . . . 4567 1 517 . 1 1 69 69 LYS H H 1 8.82 0.02 . 1 . . . . . . . . 4567 1 518 . 1 1 69 69 LYS HA H 1 5.59 0.03 . 1 . . . . . . . . 4567 1 519 . 1 1 69 69 LYS HB3 H 1 2.22 0.03 . 2 . . . . . . . . 4567 1 520 . 1 1 69 69 LYS CA C 13 54.92 0.20 . 1 . . . . . . . . 4567 1 521 . 1 1 69 69 LYS CB C 13 36.50 0.20 . 1 . . . . . . . . 4567 1 522 . 1 1 69 69 LYS N N 15 124.78 0.20 . 1 . . . . . . . . 4567 1 523 . 1 1 70 70 MET C C 13 175.10 0.10 . 1 . . . . . . . . 4567 1 524 . 1 1 71 71 GLN H H 1 9.01 0.02 . 1 . . . . . . . . 4567 1 525 . 1 1 71 71 GLN HA H 1 4.97 0.03 . 1 . . . . . . . . 4567 1 526 . 1 1 71 71 GLN C C 13 173.44 0.10 . 1 . . . . . . . . 4567 1 527 . 1 1 71 71 GLN N N 15 120.58 0.20 . 1 . . . . . . . . 4567 1 528 . 1 1 72 72 PHE C C 13 176.88 0.10 . 1 . . . . . . . . 4567 1 529 . 1 1 72 72 PHE CA C 13 61.61 0.20 . 1 . . . . . . . . 4567 1 530 . 1 1 72 72 PHE CB C 13 38.25 0.20 . 1 . . . . . . . . 4567 1 531 . 1 1 73 73 ASP H H 1 9.27 0.02 . 1 . . . . . . . . 4567 1 532 . 1 1 73 73 ASP HA H 1 4.71 0.03 . 1 . . . . . . . . 4567 1 533 . 1 1 73 73 ASP HB2 H 1 2.60 0.03 . 2 . . . . . . . . 4567 1 534 . 1 1 73 73 ASP HB3 H 1 2.44 0.03 . 2 . . . . . . . . 4567 1 535 . 1 1 73 73 ASP C C 13 177.61 0.10 . 1 . . . . . . . . 4567 1 536 . 1 1 73 73 ASP CA C 13 55.38 0.20 . 1 . . . . . . . . 4567 1 537 . 1 1 73 73 ASP CB C 13 40.89 0.20 . 1 . . . . . . . . 4567 1 538 . 1 1 73 73 ASP N N 15 125.60 0.20 . 1 . . . . . . . . 4567 1 539 . 1 1 74 74 THR H H 1 7.48 0.02 . 1 . . . . . . . . 4567 1 540 . 1 1 74 74 THR HA H 1 4.21 0.03 . 1 . . . . . . . . 4567 1 541 . 1 1 74 74 THR HB H 1 3.98 0.03 . 1 . . . . . . . . 4567 1 542 . 1 1 74 74 THR HG21 H 1 1.55 0.03 . 1 . . . . . . . . 4567 1 543 . 1 1 74 74 THR HG22 H 1 1.55 0.03 . 1 . . . . . . . . 4567 1 544 . 1 1 74 74 THR HG23 H 1 1.55 0.03 . 1 . . . . . . . . 4567 1 545 . 1 1 74 74 THR C C 13 173.43 0.10 . 1 . . . . . . . . 4567 1 546 . 1 1 74 74 THR CA C 13 63.24 0.20 . 1 . . . . . . . . 4567 1 547 . 1 1 74 74 THR CB C 13 71.11 0.20 . 1 . . . . . . . . 4567 1 548 . 1 1 74 74 THR CG2 C 13 22.49 0.20 . 1 . . . . . . . . 4567 1 549 . 1 1 74 74 THR N N 15 117.56 0.20 . 1 . . . . . . . . 4567 1 550 . 1 1 75 75 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 4567 1 551 . 1 1 75 75 LYS HA H 1 4.31 0.03 . 1 . . . . . . . . 4567 1 552 . 1 1 75 75 LYS HB3 H 1 1.24 0.03 . 2 . . . . . . . . 4567 1 553 . 1 1 75 75 LYS HG3 H 1 0.95 0.03 . 2 . . . . . . . . 4567 1 554 . 1 1 75 75 LYS HD3 H 1 1.11 0.03 . 2 . . . . . . . . 4567 1 555 . 1 1 75 75 LYS C C 13 175.17 0.10 . 1 . . . . . . . . 4567 1 556 . 1 1 75 75 LYS CA C 13 57.02 0.20 . 1 . . . . . . . . 4567 1 557 . 1 1 75 75 LYS CB C 13 32.41 0.20 . 1 . . . . . . . . 4567 1 558 . 1 1 75 75 LYS CG C 13 20.64 0.20 . 1 . . . . . . . . 4567 1 559 . 1 1 75 75 LYS CD C 13 32.96 0.20 . 1 . . . . . . . . 4567 1 560 . 1 1 75 75 LYS N N 15 128.30 0.20 . 1 . . . . . . . . 4567 1 561 . 1 1 76 76 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 4567 1 562 . 1 1 76 76 VAL HA H 1 4.53 0.03 . 1 . . . . . . . . 4567 1 563 . 1 1 76 76 VAL HB H 1 1.59 0.03 . 1 . . . . . . . . 4567 1 564 . 1 1 76 76 VAL HG11 H 1 0.62 0.03 . 2 . . . . . . . . 4567 1 565 . 1 1 76 76 VAL HG12 H 1 0.62 0.03 . 2 . . . . . . . . 4567 1 566 . 1 1 76 76 VAL HG13 H 1 0.62 0.03 . 2 . . . . . . . . 4567 1 567 . 1 1 76 76 VAL HG21 H 1 0.51 0.03 . 2 . . . . . . . . 4567 1 568 . 1 1 76 76 VAL HG22 H 1 0.51 0.03 . 2 . . . . . . . . 4567 1 569 . 1 1 76 76 VAL HG23 H 1 0.51 0.03 . 2 . . . . . . . . 4567 1 570 . 1 1 76 76 VAL C C 13 172.42 0.10 . 1 . . . . . . . . 4567 1 571 . 1 1 76 76 VAL CA C 13 61.23 0.20 . 1 . . . . . . . . 4567 1 572 . 1 1 76 76 VAL CB C 13 35.34 0.20 . 1 . . . . . . . . 4567 1 573 . 1 1 76 76 VAL CG1 C 13 22.10 0.20 . 1 . . . . . . . . 4567 1 574 . 1 1 76 76 VAL CG2 C 13 22.00 0.20 . 1 . . . . . . . . 4567 1 575 . 1 1 76 76 VAL N N 15 124.08 0.20 . 1 . . . . . . . . 4567 1 576 . 1 1 77 77 TYR H H 1 8.70 0.02 . 1 . . . . . . . . 4567 1 577 . 1 1 77 77 TYR HA H 1 4.22 0.03 . 1 . . . . . . . . 4567 1 578 . 1 1 77 77 TYR HB2 H 1 2.70 0.03 . 2 . . . . . . . . 4567 1 579 . 1 1 77 77 TYR HB3 H 1 2.69 0.03 . 2 . . . . . . . . 4567 1 580 . 1 1 77 77 TYR CA C 13 57.59 0.20 . 1 . . . . . . . . 4567 1 581 . 1 1 77 77 TYR CB C 13 37.93 0.20 . 1 . . . . . . . . 4567 1 582 . 1 1 77 77 TYR N N 15 130.60 0.20 . 1 . . . . . . . . 4567 1 583 . 1 1 79 79 PRO C C 13 176.49 0.10 . 1 . . . . . . . . 4567 1 584 . 1 1 79 79 PRO CA C 13 65.30 0.20 . 1 . . . . . . . . 4567 1 585 . 1 1 79 79 PRO CB C 13 32.36 0.20 . 1 . . . . . . . . 4567 1 586 . 1 1 80 80 ASN H H 1 11.49 0.02 . 1 . . . . . . . . 4567 1 587 . 1 1 80 80 ASN HA H 1 4.69 0.03 . 1 . . . . . . . . 4567 1 588 . 1 1 80 80 ASN C C 13 171.44 0.10 . 1 . . . . . . . . 4567 1 589 . 1 1 80 80 ASN CA C 13 55.41 0.20 . 1 . . . . . . . . 4567 1 590 . 1 1 80 80 ASN CB C 13 41.15 0.20 . 1 . . . . . . . . 4567 1 591 . 1 1 80 80 ASN N N 15 117.72 0.20 . 1 . . . . . . . . 4567 1 592 . 1 1 81 81 ILE H H 1 7.65 0.02 . 1 . . . . . . . . 4567 1 593 . 1 1 81 81 ILE HA H 1 4.91 0.03 . 1 . . . . . . . . 4567 1 594 . 1 1 81 81 ILE C C 13 174.87 0.10 . 1 . . . . . . . . 4567 1 595 . 1 1 81 81 ILE CA C 13 59.29 0.20 . 1 . . . . . . . . 4567 1 596 . 1 1 81 81 ILE CB C 13 42.90 0.20 . 1 . . . . . . . . 4567 1 597 . 1 1 81 81 ILE N N 15 120.97 0.20 . 1 . . . . . . . . 4567 1 598 . 1 1 82 82 SER H H 1 9.09 0.02 . 1 . . . . . . . . 4567 1 599 . 1 1 82 82 SER HA H 1 4.68 0.03 . 1 . . . . . . . . 4567 1 600 . 1 1 82 82 SER CA C 13 58.32 0.20 . 1 . . . . . . . . 4567 1 601 . 1 1 82 82 SER CB C 13 63.15 0.20 . 1 . . . . . . . . 4567 1 602 . 1 1 82 82 SER N N 15 119.05 0.20 . 1 . . . . . . . . 4567 1 603 . 1 1 83 83 SER H H 1 9.98 0.02 . 1 . . . . . . . . 4567 1 604 . 1 1 83 83 SER HA H 1 4.51 0.03 . 1 . . . . . . . . 4567 1 605 . 1 1 83 83 SER HB2 H 1 4.16 0.03 . 2 . . . . . . . . 4567 1 606 . 1 1 83 83 SER HB3 H 1 4.06 0.03 . 2 . . . . . . . . 4567 1 607 . 1 1 83 83 SER C C 13 173.89 0.10 . 1 . . . . . . . . 4567 1 608 . 1 1 83 83 SER CA C 13 61.19 0.20 . 1 . . . . . . . . 4567 1 609 . 1 1 83 83 SER CB C 13 63.23 0.20 . 1 . . . . . . . . 4567 1 610 . 1 1 83 83 SER N N 15 128.97 0.20 . 1 . . . . . . . . 4567 1 611 . 1 1 84 84 VAL H H 1 8.12 0.02 . 1 . . . . . . . . 4567 1 612 . 1 1 84 84 VAL HA H 1 4.18 0.03 . 1 . . . . . . . . 4567 1 613 . 1 1 84 84 VAL HB H 1 2.03 0.03 . 1 . . . . . . . . 4567 1 614 . 1 1 84 84 VAL HG11 H 1 1.04 0.03 . 2 . . . . . . . . 4567 1 615 . 1 1 84 84 VAL HG12 H 1 1.04 0.03 . 2 . . . . . . . . 4567 1 616 . 1 1 84 84 VAL HG13 H 1 1.04 0.03 . 2 . . . . . . . . 4567 1 617 . 1 1 84 84 VAL HG21 H 1 1.10 0.03 . 2 . . . . . . . . 4567 1 618 . 1 1 84 84 VAL HG22 H 1 1.10 0.03 . 2 . . . . . . . . 4567 1 619 . 1 1 84 84 VAL HG23 H 1 1.10 0.03 . 2 . . . . . . . . 4567 1 620 . 1 1 84 84 VAL C C 13 177.92 0.10 . 1 . . . . . . . . 4567 1 621 . 1 1 84 84 VAL CA C 13 64.58 0.20 . 1 . . . . . . . . 4567 1 622 . 1 1 84 84 VAL CB C 13 33.76 0.20 . 1 . . . . . . . . 4567 1 623 . 1 1 84 84 VAL CG1 C 13 21.32 0.20 . 1 . . . . . . . . 4567 1 624 . 1 1 84 84 VAL CG2 C 13 21.72 0.20 . 1 . . . . . . . . 4567 1 625 . 1 1 84 84 VAL N N 15 121.11 0.20 . 1 . . . . . . . . 4567 1 626 . 1 1 85 85 THR H H 1 8.10 0.02 . 1 . . . . . . . . 4567 1 627 . 1 1 85 85 THR HA H 1 4.60 0.03 . 1 . . . . . . . . 4567 1 628 . 1 1 85 85 THR HG21 H 1 1.30 0.03 . 1 . . . . . . . . 4567 1 629 . 1 1 85 85 THR HG22 H 1 1.30 0.03 . 1 . . . . . . . . 4567 1 630 . 1 1 85 85 THR HG23 H 1 1.30 0.03 . 1 . . . . . . . . 4567 1 631 . 1 1 85 85 THR C C 13 176.47 0.10 . 1 . . . . . . . . 4567 1 632 . 1 1 85 85 THR CA C 13 61.72 0.20 . 1 . . . . . . . . 4567 1 633 . 1 1 85 85 THR CB C 13 71.25 0.20 . 1 . . . . . . . . 4567 1 634 . 1 1 85 85 THR CG2 C 13 21.12 0.20 . 1 . . . . . . . . 4567 1 635 . 1 1 85 85 THR N N 15 106.24 0.20 . 1 . . . . . . . . 4567 1 636 . 1 1 86 86 GLY H H 1 7.86 0.02 . 1 . . . . . . . . 4567 1 637 . 1 1 86 86 GLY HA2 H 1 3.90 0.03 . 2 . . . . . . . . 4567 1 638 . 1 1 86 86 GLY HA3 H 1 5.03 0.03 . 2 . . . . . . . . 4567 1 639 . 1 1 86 86 GLY C C 13 174.31 0.10 . 1 . . . . . . . . 4567 1 640 . 1 1 86 86 GLY CA C 13 46.41 0.20 . 1 . . . . . . . . 4567 1 641 . 1 1 86 86 GLY N N 15 109.44 0.20 . 1 . . . . . . . . 4567 1 642 . 1 1 87 87 ALA H H 1 7.87 0.02 . 1 . . . . . . . . 4567 1 643 . 1 1 87 87 ALA HA H 1 4.49 0.03 . 1 . . . . . . . . 4567 1 644 . 1 1 87 87 ALA HB1 H 1 1.41 0.03 . 1 . . . . . . . . 4567 1 645 . 1 1 87 87 ALA HB2 H 1 1.41 0.03 . 1 . . . . . . . . 4567 1 646 . 1 1 87 87 ALA HB3 H 1 1.41 0.03 . 1 . . . . . . . . 4567 1 647 . 1 1 87 87 ALA C C 13 176.27 0.10 . 1 . . . . . . . . 4567 1 648 . 1 1 87 87 ALA CA C 13 53.16 0.20 . 1 . . . . . . . . 4567 1 649 . 1 1 87 87 ALA CB C 13 19.44 0.20 . 1 . . . . . . . . 4567 1 650 . 1 1 87 87 ALA N N 15 122.18 0.20 . 1 . . . . . . . . 4567 1 651 . 1 1 88 88 ILE H H 1 8.76 0.02 . 1 . . . . . . . . 4567 1 652 . 1 1 88 88 ILE HA H 1 4.59 0.03 . 1 . . . . . . . . 4567 1 653 . 1 1 88 88 ILE HB H 1 1.56 0.03 . 1 . . . . . . . . 4567 1 654 . 1 1 88 88 ILE CA C 13 60.54 0.20 . 1 . . . . . . . . 4567 1 655 . 1 1 88 88 ILE CB C 13 42.72 0.20 . 1 . . . . . . . . 4567 1 656 . 1 1 88 88 ILE N N 15 118.84 0.20 . 1 . . . . . . . . 4567 1 657 . 1 1 89 89 CYS H H 1 8.86 0.02 . 1 . . . . . . . . 4567 1 658 . 1 1 89 89 CYS HA H 1 4.59 0.03 . 1 . . . . . . . . 4567 1 659 . 1 1 89 89 CYS HB3 H 1 2.93 0.03 . 2 . . . . . . . . 4567 1 660 . 1 1 89 89 CYS CA C 13 57.60 0.20 . 1 . . . . . . . . 4567 1 661 . 1 1 89 89 CYS CB C 13 26.84 0.20 . 1 . . . . . . . . 4567 1 662 . 1 1 89 89 CYS N N 15 126.89 0.20 . 1 . . . . . . . . 4567 1 663 . 1 1 90 90 LEU H H 1 7.60 0.02 . 1 . . . . . . . . 4567 1 664 . 1 1 90 90 LEU HA H 1 4.67 0.03 . 1 . . . . . . . . 4567 1 665 . 1 1 90 90 LEU HB3 H 1 1.53 0.03 . 2 . . . . . . . . 4567 1 666 . 1 1 90 90 LEU CA C 13 54.42 0.20 . 1 . . . . . . . . 4567 1 667 . 1 1 90 90 LEU CB C 13 45.19 0.20 . 1 . . . . . . . . 4567 1 668 . 1 1 90 90 LEU N N 15 125.67 0.20 . 1 . . . . . . . . 4567 1 669 . 1 1 91 91 ASP CA C 13 58.51 0.20 . 1 . . . . . . . . 4567 1 670 . 1 1 91 91 ASP CB C 13 39.29 0.20 . 1 . . . . . . . . 4567 1 671 . 1 1 92 92 ILE H H 1 8.40 0.02 . 1 . . . . . . . . 4567 1 672 . 1 1 92 92 ILE HA H 1 3.79 0.03 . 1 . . . . . . . . 4567 1 673 . 1 1 92 92 ILE HB H 1 2.08 0.03 . 1 . . . . . . . . 4567 1 674 . 1 1 92 92 ILE HG21 H 1 0.99 0.03 . 1 . . . . . . . . 4567 1 675 . 1 1 92 92 ILE HG22 H 1 0.99 0.03 . 1 . . . . . . . . 4567 1 676 . 1 1 92 92 ILE HG23 H 1 0.99 0.03 . 1 . . . . . . . . 4567 1 677 . 1 1 92 92 ILE C C 13 173.65 0.10 . 1 . . . . . . . . 4567 1 678 . 1 1 92 92 ILE CA C 13 64.29 0.20 . 1 . . . . . . . . 4567 1 679 . 1 1 92 92 ILE CB C 13 38.74 0.20 . 1 . . . . . . . . 4567 1 680 . 1 1 92 92 ILE CG2 C 13 18.40 0.20 . 1 . . . . . . . . 4567 1 681 . 1 1 92 92 ILE N N 15 117.11 0.20 . 1 . . . . . . . . 4567 1 682 . 1 1 93 93 LEU H H 1 7.20 0.02 . 1 . . . . . . . . 4567 1 683 . 1 1 93 93 LEU HA H 1 4.63 0.03 . 1 . . . . . . . . 4567 1 684 . 1 1 93 93 LEU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4567 1 685 . 1 1 93 93 LEU C C 13 178.28 0.10 . 1 . . . . . . . . 4567 1 686 . 1 1 93 93 LEU CA C 13 54.10 0.20 . 1 . . . . . . . . 4567 1 687 . 1 1 93 93 LEU CB C 13 41.23 0.20 . 1 . . . . . . . . 4567 1 688 . 1 1 93 93 LEU N N 15 113.62 0.20 . 1 . . . . . . . . 4567 1 689 . 1 1 94 94 ARG H H 1 8.03 0.02 . 1 . . . . . . . . 4567 1 690 . 1 1 94 94 ARG HA H 1 4.56 0.03 . 1 . . . . . . . . 4567 1 691 . 1 1 94 94 ARG HB2 H 1 1.92 0.03 . 2 . . . . . . . . 4567 1 692 . 1 1 94 94 ARG HB3 H 1 2.00 0.03 . 2 . . . . . . . . 4567 1 693 . 1 1 94 94 ARG HD3 H 1 3.29 0.03 . 2 . . . . . . . . 4567 1 694 . 1 1 94 94 ARG C C 13 179.91 0.10 . 1 . . . . . . . . 4567 1 695 . 1 1 94 94 ARG CA C 13 56.23 0.20 . 1 . . . . . . . . 4567 1 696 . 1 1 94 94 ARG CB C 13 31.43 0.20 . 1 . . . . . . . . 4567 1 697 . 1 1 94 94 ARG CD C 13 43.67 0.20 . 1 . . . . . . . . 4567 1 698 . 1 1 94 94 ARG N N 15 121.36 0.20 . 1 . . . . . . . . 4567 1 699 . 1 1 95 95 ASN H H 1 8.46 0.02 . 1 . . . . . . . . 4567 1 700 . 1 1 95 95 ASN HA H 1 4.84 0.03 . 1 . . . . . . . . 4567 1 701 . 1 1 95 95 ASN HB2 H 1 2.93 0.03 . 2 . . . . . . . . 4567 1 702 . 1 1 95 95 ASN HB3 H 1 3.00 0.03 . 2 . . . . . . . . 4567 1 703 . 1 1 95 95 ASN C C 13 175.47 0.10 . 1 . . . . . . . . 4567 1 704 . 1 1 95 95 ASN CA C 13 54.83 0.20 . 1 . . . . . . . . 4567 1 705 . 1 1 95 95 ASN CB C 13 38.88 0.20 . 1 . . . . . . . . 4567 1 706 . 1 1 95 95 ASN N N 15 118.07 0.20 . 1 . . . . . . . . 4567 1 707 . 1 1 96 96 ALA H H 1 7.93 0.02 . 1 . . . . . . . . 4567 1 708 . 1 1 96 96 ALA HA H 1 4.71 0.03 . 1 . . . . . . . . 4567 1 709 . 1 1 96 96 ALA HB1 H 1 1.19 0.03 . 1 . . . . . . . . 4567 1 710 . 1 1 96 96 ALA HB2 H 1 1.19 0.03 . 1 . . . . . . . . 4567 1 711 . 1 1 96 96 ALA HB3 H 1 1.19 0.03 . 1 . . . . . . . . 4567 1 712 . 1 1 96 96 ALA C C 13 175.67 0.10 . 1 . . . . . . . . 4567 1 713 . 1 1 96 96 ALA CA C 13 51.06 0.20 . 1 . . . . . . . . 4567 1 714 . 1 1 96 96 ALA CB C 13 18.61 0.20 . 1 . . . . . . . . 4567 1 715 . 1 1 96 96 ALA N N 15 121.03 0.20 . 1 . . . . . . . . 4567 1 716 . 1 1 97 97 TRP H H 1 7.48 0.02 . 1 . . . . . . . . 4567 1 717 . 1 1 97 97 TRP HA H 1 4.36 0.03 . 1 . . . . . . . . 4567 1 718 . 1 1 97 97 TRP C C 13 176.03 0.10 . 1 . . . . . . . . 4567 1 719 . 1 1 97 97 TRP CA C 13 59.11 0.20 . 1 . . . . . . . . 4567 1 720 . 1 1 97 97 TRP CB C 13 30.12 0.20 . 1 . . . . . . . . 4567 1 721 . 1 1 97 97 TRP N N 15 120.92 0.20 . 1 . . . . . . . . 4567 1 722 . 1 1 98 98 SER H H 1 5.62 0.02 . 1 . . . . . . . . 4567 1 723 . 1 1 98 98 SER HA H 1 4.66 0.03 . 1 . . . . . . . . 4567 1 724 . 1 1 98 98 SER HB2 H 1 3.32 0.03 . 2 . . . . . . . . 4567 1 725 . 1 1 98 98 SER HB3 H 1 3.86 0.03 . 2 . . . . . . . . 4567 1 726 . 1 1 98 98 SER C C 13 171.44 0.10 . 1 . . . . . . . . 4567 1 727 . 1 1 98 98 SER CA C 13 54.31 0.20 . 1 . . . . . . . . 4567 1 728 . 1 1 98 98 SER CB C 13 64.42 0.20 . 1 . . . . . . . . 4567 1 729 . 1 1 98 98 SER N N 15 121.01 0.20 . 1 . . . . . . . . 4567 1 730 . 1 1 99 99 PRO C C 13 176.18 0.10 . 1 . . . . . . . . 4567 1 731 . 1 1 99 99 PRO CA C 13 63.97 0.20 . 1 . . . . . . . . 4567 1 732 . 1 1 99 99 PRO CB C 13 31.89 0.20 . 1 . . . . . . . . 4567 1 733 . 1 1 100 100 VAL H H 1 6.82 0.02 . 1 . . . . . . . . 4567 1 734 . 1 1 100 100 VAL HA H 1 3.94 0.03 . 1 . . . . . . . . 4567 1 735 . 1 1 100 100 VAL HB H 1 2.04 0.03 . 1 . . . . . . . . 4567 1 736 . 1 1 100 100 VAL HG11 H 1 0.74 0.03 . 2 . . . . . . . . 4567 1 737 . 1 1 100 100 VAL HG12 H 1 0.74 0.03 . 2 . . . . . . . . 4567 1 738 . 1 1 100 100 VAL HG13 H 1 0.74 0.03 . 2 . . . . . . . . 4567 1 739 . 1 1 100 100 VAL HG21 H 1 0.81 0.03 . 2 . . . . . . . . 4567 1 740 . 1 1 100 100 VAL HG22 H 1 0.81 0.03 . 2 . . . . . . . . 4567 1 741 . 1 1 100 100 VAL HG23 H 1 0.81 0.03 . 2 . . . . . . . . 4567 1 742 . 1 1 100 100 VAL C C 13 176.47 0.10 . 1 . . . . . . . . 4567 1 743 . 1 1 100 100 VAL CA C 13 62.17 0.20 . 1 . . . . . . . . 4567 1 744 . 1 1 100 100 VAL CB C 13 31.58 0.20 . 1 . . . . . . . . 4567 1 745 . 1 1 100 100 VAL CG1 C 13 19.58 0.20 . 1 . . . . . . . . 4567 1 746 . 1 1 100 100 VAL CG2 C 13 20.86 0.20 . 1 . . . . . . . . 4567 1 747 . 1 1 100 100 VAL N N 15 112.34 0.20 . 1 . . . . . . . . 4567 1 748 . 1 1 101 101 ILE H H 1 7.36 0.02 . 1 . . . . . . . . 4567 1 749 . 1 1 101 101 ILE HA H 1 3.53 0.03 . 1 . . . . . . . . 4567 1 750 . 1 1 101 101 ILE HB H 1 1.27 0.03 . 1 . . . . . . . . 4567 1 751 . 1 1 101 101 ILE HD11 H 1 0.83 0.03 . 1 . . . . . . . . 4567 1 752 . 1 1 101 101 ILE HD12 H 1 0.83 0.03 . 1 . . . . . . . . 4567 1 753 . 1 1 101 101 ILE HD13 H 1 0.83 0.03 . 1 . . . . . . . . 4567 1 754 . 1 1 101 101 ILE HG21 H 1 0.75 0.03 . 1 . . . . . . . . 4567 1 755 . 1 1 101 101 ILE HG22 H 1 0.75 0.03 . 1 . . . . . . . . 4567 1 756 . 1 1 101 101 ILE HG23 H 1 0.75 0.03 . 1 . . . . . . . . 4567 1 757 . 1 1 101 101 ILE C C 13 173.23 0.10 . 1 . . . . . . . . 4567 1 758 . 1 1 101 101 ILE CA C 13 62.20 0.20 . 1 . . . . . . . . 4567 1 759 . 1 1 101 101 ILE CB C 13 35.69 0.20 . 1 . . . . . . . . 4567 1 760 . 1 1 101 101 ILE CD1 C 13 18.03 0.20 . 1 . . . . . . . . 4567 1 761 . 1 1 101 101 ILE CG2 C 13 22.43 0.20 . 1 . . . . . . . . 4567 1 762 . 1 1 101 101 ILE N N 15 125.04 0.20 . 1 . . . . . . . . 4567 1 763 . 1 1 102 102 THR H H 1 6.81 0.02 . 1 . . . . . . . . 4567 1 764 . 1 1 102 102 THR HA H 1 4.90 0.03 . 1 . . . . . . . . 4567 1 765 . 1 1 102 102 THR HB H 1 3.46 0.03 . 1 . . . . . . . . 4567 1 766 . 1 1 102 102 THR HG21 H 1 1.21 0.03 . 1 . . . . . . . . 4567 1 767 . 1 1 102 102 THR HG22 H 1 1.21 0.03 . 1 . . . . . . . . 4567 1 768 . 1 1 102 102 THR HG23 H 1 1.21 0.03 . 1 . . . . . . . . 4567 1 769 . 1 1 102 102 THR CA C 13 58.70 0.20 . 1 . . . . . . . . 4567 1 770 . 1 1 102 102 THR CB C 13 72.07 0.20 . 1 . . . . . . . . 4567 1 771 . 1 1 102 102 THR CG2 C 13 21.74 0.20 . 1 . . . . . . . . 4567 1 772 . 1 1 102 102 THR N N 15 111.41 0.20 . 1 . . . . . . . . 4567 1 773 . 1 1 103 103 LEU H H 1 9.96 0.02 . 1 . . . . . . . . 4567 1 774 . 1 1 103 103 LEU C C 13 179.25 0.10 . 1 . . . . . . . . 4567 1 775 . 1 1 103 103 LEU CA C 13 58.76 0.20 . 1 . . . . . . . . 4567 1 776 . 1 1 103 103 LEU CB C 13 41.11 0.20 . 1 . . . . . . . . 4567 1 777 . 1 1 103 103 LEU N N 15 121.86 0.20 . 1 . . . . . . . . 4567 1 778 . 1 1 104 104 LYS H H 1 8.77 0.02 . 1 . . . . . . . . 4567 1 779 . 1 1 104 104 LYS C C 13 177.36 0.10 . 1 . . . . . . . . 4567 1 780 . 1 1 104 104 LYS CA C 13 60.54 0.20 . 1 . . . . . . . . 4567 1 781 . 1 1 104 104 LYS CB C 13 32.50 0.20 . 1 . . . . . . . . 4567 1 782 . 1 1 104 104 LYS N N 15 117.48 0.20 . 1 . . . . . . . . 4567 1 783 . 1 1 105 105 SER H H 1 7.90 0.02 . 1 . . . . . . . . 4567 1 784 . 1 1 105 105 SER HA H 1 4.11 0.03 . 1 . . . . . . . . 4567 1 785 . 1 1 105 105 SER HB2 H 1 4.05 0.03 . 2 . . . . . . . . 4567 1 786 . 1 1 105 105 SER HB3 H 1 4.00 0.03 . 2 . . . . . . . . 4567 1 787 . 1 1 105 105 SER C C 13 177.59 0.10 . 1 . . . . . . . . 4567 1 788 . 1 1 105 105 SER CA C 13 61.30 0.20 . 1 . . . . . . . . 4567 1 789 . 1 1 105 105 SER CB C 13 62.87 0.20 . 1 . . . . . . . . 4567 1 790 . 1 1 105 105 SER N N 15 113.56 0.20 . 1 . . . . . . . . 4567 1 791 . 1 1 106 106 ALA H H 1 8.81 0.02 . 1 . . . . . . . . 4567 1 792 . 1 1 106 106 ALA HA H 1 4.02 0.03 . 1 . . . . . . . . 4567 1 793 . 1 1 106 106 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 794 . 1 1 106 106 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 795 . 1 1 106 106 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 796 . 1 1 106 106 ALA C C 13 178.95 0.10 . 1 . . . . . . . . 4567 1 797 . 1 1 106 106 ALA CA C 13 55.50 0.20 . 1 . . . . . . . . 4567 1 798 . 1 1 106 106 ALA CB C 13 17.47 0.20 . 1 . . . . . . . . 4567 1 799 . 1 1 106 106 ALA N N 15 125.71 0.20 . 1 . . . . . . . . 4567 1 800 . 1 1 107 107 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 4567 1 801 . 1 1 107 107 LEU HA H 1 3.81 0.03 . 1 . . . . . . . . 4567 1 802 . 1 1 107 107 LEU C C 13 178.80 0.10 . 1 . . . . . . . . 4567 1 803 . 1 1 107 107 LEU CA C 13 58.44 0.20 . 1 . . . . . . . . 4567 1 804 . 1 1 107 107 LEU CB C 13 41.21 0.20 . 1 . . . . . . . . 4567 1 805 . 1 1 107 107 LEU N N 15 118.46 0.20 . 1 . . . . . . . . 4567 1 806 . 1 1 108 108 ILE H H 1 8.25 0.02 . 1 . . . . . . . . 4567 1 807 . 1 1 108 108 ILE HA H 1 3.60 0.03 . 1 . . . . . . . . 4567 1 808 . 1 1 108 108 ILE HB H 1 1.94 0.03 . 1 . . . . . . . . 4567 1 809 . 1 1 108 108 ILE HG13 H 1 0.79 0.03 . 2 . . . . . . . . 4567 1 810 . 1 1 108 108 ILE HD11 H 1 1.08 0.03 . 1 . . . . . . . . 4567 1 811 . 1 1 108 108 ILE HD12 H 1 1.08 0.03 . 1 . . . . . . . . 4567 1 812 . 1 1 108 108 ILE HD13 H 1 1.08 0.03 . 1 . . . . . . . . 4567 1 813 . 1 1 108 108 ILE HG21 H 1 0.93 0.03 . 1 . . . . . . . . 4567 1 814 . 1 1 108 108 ILE HG22 H 1 0.93 0.03 . 1 . . . . . . . . 4567 1 815 . 1 1 108 108 ILE HG23 H 1 0.93 0.03 . 1 . . . . . . . . 4567 1 816 . 1 1 108 108 ILE C C 13 179.41 0.10 . 1 . . . . . . . . 4567 1 817 . 1 1 108 108 ILE CA C 13 65.16 0.20 . 1 . . . . . . . . 4567 1 818 . 1 1 108 108 ILE CB C 13 37.23 0.20 . 1 . . . . . . . . 4567 1 819 . 1 1 108 108 ILE CG1 C 13 25.51 0.20 . 1 . . . . . . . . 4567 1 820 . 1 1 108 108 ILE CD1 C 13 16.74 0.20 . 1 . . . . . . . . 4567 1 821 . 1 1 108 108 ILE CG2 C 13 17.17 0.20 . 1 . . . . . . . . 4567 1 822 . 1 1 108 108 ILE N N 15 121.14 0.20 . 1 . . . . . . . . 4567 1 823 . 1 1 109 109 SER H H 1 8.36 0.02 . 1 . . . . . . . . 4567 1 824 . 1 1 109 109 SER HA H 1 4.23 0.03 . 1 . . . . . . . . 4567 1 825 . 1 1 109 109 SER C C 13 176.88 0.10 . 1 . . . . . . . . 4567 1 826 . 1 1 109 109 SER CA C 13 62.54 0.20 . 1 . . . . . . . . 4567 1 827 . 1 1 109 109 SER N N 15 118.68 0.20 . 1 . . . . . . . . 4567 1 828 . 1 1 110 110 LEU H H 1 7.83 0.02 . 1 . . . . . . . . 4567 1 829 . 1 1 110 110 LEU HA H 1 3.97 0.03 . 1 . . . . . . . . 4567 1 830 . 1 1 110 110 LEU HB3 H 1 1.74 0.03 . 2 . . . . . . . . 4567 1 831 . 1 1 110 110 LEU C C 13 177.61 0.10 . 1 . . . . . . . . 4567 1 832 . 1 1 110 110 LEU CA C 13 57.37 0.20 . 1 . . . . . . . . 4567 1 833 . 1 1 110 110 LEU CB C 13 41.39 0.20 . 1 . . . . . . . . 4567 1 834 . 1 1 110 110 LEU N N 15 124.60 0.20 . 1 . . . . . . . . 4567 1 835 . 1 1 111 111 GLN H H 1 7.42 0.02 . 1 . . . . . . . . 4567 1 836 . 1 1 111 111 GLN HA H 1 3.37 0.03 . 1 . . . . . . . . 4567 1 837 . 1 1 111 111 GLN HG2 H 1 2.23 0.03 . 2 . . . . . . . . 4567 1 838 . 1 1 111 111 GLN HG3 H 1 2.08 0.03 . 2 . . . . . . . . 4567 1 839 . 1 1 111 111 GLN C C 13 177.85 0.10 . 1 . . . . . . . . 4567 1 840 . 1 1 111 111 GLN CA C 13 59.64 0.20 . 1 . . . . . . . . 4567 1 841 . 1 1 111 111 GLN CB C 13 29.41 0.20 . 1 . . . . . . . . 4567 1 842 . 1 1 111 111 GLN CG C 13 34.47 0.20 . 1 . . . . . . . . 4567 1 843 . 1 1 111 111 GLN N N 15 120.65 0.20 . 1 . . . . . . . . 4567 1 844 . 1 1 112 112 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 4567 1 845 . 1 1 112 112 ALA HA H 1 4.18 0.03 . 1 . . . . . . . . 4567 1 846 . 1 1 112 112 ALA HB1 H 1 1.51 0.03 . 1 . . . . . . . . 4567 1 847 . 1 1 112 112 ALA HB2 H 1 1.51 0.03 . 1 . . . . . . . . 4567 1 848 . 1 1 112 112 ALA HB3 H 1 1.51 0.03 . 1 . . . . . . . . 4567 1 849 . 1 1 112 112 ALA C C 13 180.17 0.10 . 1 . . . . . . . . 4567 1 850 . 1 1 112 112 ALA CA C 13 54.47 0.20 . 1 . . . . . . . . 4567 1 851 . 1 1 112 112 ALA CB C 13 17.66 0.20 . 1 . . . . . . . . 4567 1 852 . 1 1 112 112 ALA N N 15 120.58 0.20 . 1 . . . . . . . . 4567 1 853 . 1 1 113 113 LEU H H 1 7.77 0.02 . 1 . . . . . . . . 4567 1 854 . 1 1 113 113 LEU HA H 1 4.11 0.03 . 1 . . . . . . . . 4567 1 855 . 1 1 113 113 LEU C C 13 180.09 0.10 . 1 . . . . . . . . 4567 1 856 . 1 1 113 113 LEU CA C 13 56.65 0.20 . 1 . . . . . . . . 4567 1 857 . 1 1 113 113 LEU CB C 13 42.23 0.20 . 1 . . . . . . . . 4567 1 858 . 1 1 113 113 LEU N N 15 122.34 0.20 . 1 . . . . . . . . 4567 1 859 . 1 1 114 114 LEU H H 1 7.53 0.02 . 1 . . . . . . . . 4567 1 860 . 1 1 114 114 LEU HA H 1 3.63 0.03 . 1 . . . . . . . . 4567 1 861 . 1 1 114 114 LEU HB3 H 1 1.82 0.03 . 2 . . . . . . . . 4567 1 862 . 1 1 114 114 LEU C C 13 177.12 0.10 . 1 . . . . . . . . 4567 1 863 . 1 1 114 114 LEU CA C 13 58.30 0.20 . 1 . . . . . . . . 4567 1 864 . 1 1 114 114 LEU CB C 13 39.60 0.20 . 1 . . . . . . . . 4567 1 865 . 1 1 114 114 LEU N N 15 118.47 0.20 . 1 . . . . . . . . 4567 1 866 . 1 1 115 115 GLN H H 1 7.24 0.02 . 1 . . . . . . . . 4567 1 867 . 1 1 115 115 GLN HA H 1 4.26 0.03 . 1 . . . . . . . . 4567 1 868 . 1 1 115 115 GLN HB3 H 1 2.38 0.03 . 2 . . . . . . . . 4567 1 869 . 1 1 115 115 GLN HG3 H 1 2.46 0.03 . 2 . . . . . . . . 4567 1 870 . 1 1 115 115 GLN C C 13 175.80 0.10 . 1 . . . . . . . . 4567 1 871 . 1 1 115 115 GLN CA C 13 57.82 0.20 . 1 . . . . . . . . 4567 1 872 . 1 1 115 115 GLN CB C 13 29.79 0.20 . 1 . . . . . . . . 4567 1 873 . 1 1 115 115 GLN CG C 13 34.40 0.20 . 1 . . . . . . . . 4567 1 874 . 1 1 115 115 GLN N N 15 114.90 0.20 . 1 . . . . . . . . 4567 1 875 . 1 1 116 116 SER H H 1 7.94 0.02 . 1 . . . . . . . . 4567 1 876 . 1 1 116 116 SER HA H 1 4.93 0.03 . 1 . . . . . . . . 4567 1 877 . 1 1 116 116 SER HB2 H 1 3.93 0.03 . 2 . . . . . . . . 4567 1 878 . 1 1 116 116 SER HB3 H 1 3.69 0.03 . 2 . . . . . . . . 4567 1 879 . 1 1 116 116 SER CA C 13 54.52 0.20 . 1 . . . . . . . . 4567 1 880 . 1 1 116 116 SER CB C 13 63.28 0.20 . 1 . . . . . . . . 4567 1 881 . 1 1 116 116 SER N N 15 114.45 0.20 . 1 . . . . . . . . 4567 1 882 . 1 1 117 117 PRO C C 13 174.99 0.10 . 1 . . . . . . . . 4567 1 883 . 1 1 117 117 PRO CA C 13 61.21 0.20 . 1 . . . . . . . . 4567 1 884 . 1 1 117 117 PRO CB C 13 31.90 0.20 . 1 . . . . . . . . 4567 1 885 . 1 1 118 118 GLU H H 1 8.50 0.02 . 1 . . . . . . . . 4567 1 886 . 1 1 118 118 GLU HA H 1 4.49 0.03 . 1 . . . . . . . . 4567 1 887 . 1 1 118 118 GLU HB3 H 1 1.80 0.03 . 2 . . . . . . . . 4567 1 888 . 1 1 118 118 GLU C C 13 176.27 0.10 . 1 . . . . . . . . 4567 1 889 . 1 1 118 118 GLU CA C 13 54.99 0.20 . 1 . . . . . . . . 4567 1 890 . 1 1 118 118 GLU CB C 13 32.54 0.20 . 1 . . . . . . . . 4567 1 891 . 1 1 118 118 GLU N N 15 121.16 0.20 . 1 . . . . . . . . 4567 1 892 . 1 1 119 119 PRO C C 13 175.04 0.10 . 1 . . . . . . . . 4567 1 893 . 1 1 119 119 PRO CA C 13 64.35 0.20 . 1 . . . . . . . . 4567 1 894 . 1 1 119 119 PRO CB C 13 32.10 0.20 . 1 . . . . . . . . 4567 1 895 . 1 1 120 120 ASN H H 1 8.74 0.02 . 1 . . . . . . . . 4567 1 896 . 1 1 120 120 ASN HA H 1 4.61 0.03 . 1 . . . . . . . . 4567 1 897 . 1 1 120 120 ASN HB2 H 1 2.83 0.03 . 2 . . . . . . . . 4567 1 898 . 1 1 120 120 ASN HB3 H 1 2.75 0.03 . 2 . . . . . . . . 4567 1 899 . 1 1 120 120 ASN C C 13 174.60 0.10 . 1 . . . . . . . . 4567 1 900 . 1 1 120 120 ASN CA C 13 53.95 0.20 . 1 . . . . . . . . 4567 1 901 . 1 1 120 120 ASN CB C 13 38.05 0.20 . 1 . . . . . . . . 4567 1 902 . 1 1 120 120 ASN N N 15 115.92 0.20 . 1 . . . . . . . . 4567 1 903 . 1 1 121 121 ASP H H 1 7.20 0.02 . 1 . . . . . . . . 4567 1 904 . 1 1 121 121 ASP HA H 1 4.98 0.03 . 1 . . . . . . . . 4567 1 905 . 1 1 121 121 ASP HB2 H 1 2.23 0.03 . 2 . . . . . . . . 4567 1 906 . 1 1 121 121 ASP HB3 H 1 2.71 0.03 . 2 . . . . . . . . 4567 1 907 . 1 1 121 121 ASP C C 13 171.75 0.10 . 1 . . . . . . . . 4567 1 908 . 1 1 121 121 ASP CA C 13 51.54 0.20 . 1 . . . . . . . . 4567 1 909 . 1 1 121 121 ASP CB C 13 41.10 0.20 . 1 . . . . . . . . 4567 1 910 . 1 1 121 121 ASP N N 15 119.02 0.20 . 1 . . . . . . . . 4567 1 911 . 1 1 123 123 GLN HE21 H 1 6.86 0.03 . 2 . . . . . . . . 4567 1 912 . 1 1 123 123 GLN HE22 H 1 7.54 0.03 . 2 . . . . . . . . 4567 1 913 . 1 1 123 123 GLN CA C 13 55.79 0.20 . 1 . . . . . . . . 4567 1 914 . 1 1 123 123 GLN CB C 13 29.63 0.20 . 1 . . . . . . . . 4567 1 915 . 1 1 123 123 GLN CG C 13 34.00 0.20 . 1 . . . . . . . . 4567 1 916 . 1 1 123 123 GLN CD C 13 179.80 0.10 . 1 . . . . . . . . 4567 1 917 . 1 1 123 123 GLN NE2 N 15 111.28 0.20 . 1 . . . . . . . . 4567 1 918 . 1 1 124 124 ASP H H 1 7.37 0.02 . 1 . . . . . . . . 4567 1 919 . 1 1 124 124 ASP HA H 1 4.89 0.03 . 1 . . . . . . . . 4567 1 920 . 1 1 124 124 ASP HB2 H 1 2.60 0.03 . 2 . . . . . . . . 4567 1 921 . 1 1 124 124 ASP HB3 H 1 2.99 0.03 . 2 . . . . . . . . 4567 1 922 . 1 1 124 124 ASP C C 13 175.84 0.10 . 1 . . . . . . . . 4567 1 923 . 1 1 124 124 ASP CA C 13 53.00 0.20 . 1 . . . . . . . . 4567 1 924 . 1 1 124 124 ASP CB C 13 42.77 0.20 . 1 . . . . . . . . 4567 1 925 . 1 1 124 124 ASP N N 15 118.44 0.20 . 1 . . . . . . . . 4567 1 926 . 1 1 125 125 ALA HA H 1 3.93 0.03 . 1 . . . . . . . . 4567 1 927 . 1 1 125 125 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 928 . 1 1 125 125 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 929 . 1 1 125 125 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 930 . 1 1 125 125 ALA C C 13 175.81 0.10 . 1 . . . . . . . . 4567 1 931 . 1 1 125 125 ALA CA C 13 55.60 0.20 . 1 . . . . . . . . 4567 1 932 . 1 1 125 125 ALA CB C 13 18.44 0.20 . 1 . . . . . . . . 4567 1 933 . 1 1 126 126 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 4567 1 934 . 1 1 126 126 GLU HA H 1 4.12 0.03 . 1 . . . . . . . . 4567 1 935 . 1 1 126 126 GLU HB3 H 1 2.22 0.03 . 2 . . . . . . . . 4567 1 936 . 1 1 126 126 GLU C C 13 179.77 0.10 . 1 . . . . . . . . 4567 1 937 . 1 1 126 126 GLU CA C 13 59.70 0.20 . 1 . . . . . . . . 4567 1 938 . 1 1 126 126 GLU CB C 13 29.23 0.20 . 1 . . . . . . . . 4567 1 939 . 1 1 126 126 GLU N N 15 118.00 0.20 . 1 . . . . . . . . 4567 1 940 . 1 1 127 127 VAL H H 1 7.84 0.02 . 1 . . . . . . . . 4567 1 941 . 1 1 127 127 VAL HA H 1 3.68 0.03 . 1 . . . . . . . . 4567 1 942 . 1 1 127 127 VAL HB H 1 1.83 0.03 . 1 . . . . . . . . 4567 1 943 . 1 1 127 127 VAL HG11 H 1 0.28 0.03 . 2 . . . . . . . . 4567 1 944 . 1 1 127 127 VAL HG12 H 1 0.28 0.03 . 2 . . . . . . . . 4567 1 945 . 1 1 127 127 VAL HG13 H 1 0.28 0.03 . 2 . . . . . . . . 4567 1 946 . 1 1 127 127 VAL HG21 H 1 0.73 0.03 . 2 . . . . . . . . 4567 1 947 . 1 1 127 127 VAL HG22 H 1 0.73 0.03 . 2 . . . . . . . . 4567 1 948 . 1 1 127 127 VAL HG23 H 1 0.73 0.03 . 2 . . . . . . . . 4567 1 949 . 1 1 127 127 VAL C C 13 177.27 0.10 . 1 . . . . . . . . 4567 1 950 . 1 1 127 127 VAL CA C 13 66.35 0.20 . 1 . . . . . . . . 4567 1 951 . 1 1 127 127 VAL CB C 13 31.95 0.20 . 1 . . . . . . . . 4567 1 952 . 1 1 127 127 VAL CG1 C 13 21.38 0.20 . 1 . . . . . . . . 4567 1 953 . 1 1 127 127 VAL CG2 C 13 21.89 0.20 . 1 . . . . . . . . 4567 1 954 . 1 1 127 127 VAL N N 15 122.75 0.20 . 1 . . . . . . . . 4567 1 955 . 1 1 128 128 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 4567 1 956 . 1 1 128 128 ALA HA H 1 3.73 0.03 . 1 . . . . . . . . 4567 1 957 . 1 1 128 128 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 958 . 1 1 128 128 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 959 . 1 1 128 128 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 4567 1 960 . 1 1 128 128 ALA C C 13 178.40 0.10 . 1 . . . . . . . . 4567 1 961 . 1 1 128 128 ALA CA C 13 55.63 0.20 . 1 . . . . . . . . 4567 1 962 . 1 1 128 128 ALA CB C 13 18.58 0.20 . 1 . . . . . . . . 4567 1 963 . 1 1 128 128 ALA N N 15 121.36 0.20 . 1 . . . . . . . . 4567 1 964 . 1 1 129 129 GLN H H 1 8.14 0.02 . 1 . . . . . . . . 4567 1 965 . 1 1 129 129 GLN HA H 1 4.04 0.03 . 1 . . . . . . . . 4567 1 966 . 1 1 129 129 GLN HB2 H 1 2.25 0.03 . 2 . . . . . . . . 4567 1 967 . 1 1 129 129 GLN HB3 H 1 2.22 0.03 . 2 . . . . . . . . 4567 1 968 . 1 1 129 129 GLN HE21 H 1 6.89 0.02 . 2 . . . . . . . . 4567 1 969 . 1 1 129 129 GLN HE22 H 1 7.50 0.02 . 2 . . . . . . . . 4567 1 970 . 1 1 129 129 GLN C C 13 178.17 0.10 . 1 . . . . . . . . 4567 1 971 . 1 1 129 129 GLN CA C 13 58.85 0.20 . 1 . . . . . . . . 4567 1 972 . 1 1 129 129 GLN CB C 13 28.46 0.20 . 1 . . . . . . . . 4567 1 973 . 1 1 129 129 GLN CD C 13 180.26 0.20 . 1 . . . . . . . . 4567 1 974 . 1 1 129 129 GLN N N 15 115.31 0.20 . 1 . . . . . . . . 4567 1 975 . 1 1 129 129 GLN NE2 N 15 111.87 0.20 . 1 . . . . . . . . 4567 1 976 . 1 1 130 130 HIS H H 1 7.89 0.02 . 1 . . . . . . . . 4567 1 977 . 1 1 130 130 HIS HA H 1 4.52 0.03 . 1 . . . . . . . . 4567 1 978 . 1 1 130 130 HIS C C 13 176.17 0.10 . 1 . . . . . . . . 4567 1 979 . 1 1 130 130 HIS CA C 13 57.88 0.20 . 1 . . . . . . . . 4567 1 980 . 1 1 130 130 HIS CB C 13 32.24 0.20 . 1 . . . . . . . . 4567 1 981 . 1 1 130 130 HIS N N 15 121.82 0.20 . 1 . . . . . . . . 4567 1 982 . 1 1 131 131 TYR H H 1 8.19 0.02 . 1 . . . . . . . . 4567 1 983 . 1 1 131 131 TYR HA H 1 4.38 0.03 . 1 . . . . . . . . 4567 1 984 . 1 1 131 131 TYR HB3 H 1 2.99 0.03 . 2 . . . . . . . . 4567 1 985 . 1 1 131 131 TYR C C 13 176.55 0.10 . 1 . . . . . . . . 4567 1 986 . 1 1 131 131 TYR CA C 13 61.79 0.20 . 1 . . . . . . . . 4567 1 987 . 1 1 131 131 TYR CB C 13 38.59 0.20 . 1 . . . . . . . . 4567 1 988 . 1 1 131 131 TYR N N 15 117.21 0.20 . 1 . . . . . . . . 4567 1 989 . 1 1 132 132 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 4567 1 990 . 1 1 132 132 LEU HA H 1 3.96 0.03 . 1 . . . . . . . . 4567 1 991 . 1 1 132 132 LEU HB2 H 1 1.87 0.03 . 2 . . . . . . . . 4567 1 992 . 1 1 132 132 LEU HB3 H 1 1.83 0.03 . 2 . . . . . . . . 4567 1 993 . 1 1 132 132 LEU HG H 1 1.58 0.03 . 1 . . . . . . . . 4567 1 994 . 1 1 132 132 LEU HD11 H 1 0.80 0.03 . 2 . . . . . . . . 4567 1 995 . 1 1 132 132 LEU HD12 H 1 0.80 0.03 . 2 . . . . . . . . 4567 1 996 . 1 1 132 132 LEU HD13 H 1 0.80 0.03 . 2 . . . . . . . . 4567 1 997 . 1 1 132 132 LEU C C 13 179.02 0.10 . 1 . . . . . . . . 4567 1 998 . 1 1 132 132 LEU CA C 13 56.51 0.20 . 1 . . . . . . . . 4567 1 999 . 1 1 132 132 LEU CB C 13 43.15 0.20 . 1 . . . . . . . . 4567 1 1000 . 1 1 132 132 LEU CG C 13 27.72 0.20 . 1 . . . . . . . . 4567 1 1001 . 1 1 132 132 LEU CD1 C 13 25.08 0.20 . 1 . . . . . . . . 4567 1 1002 . 1 1 132 132 LEU N N 15 115.20 0.20 . 1 . . . . . . . . 4567 1 1003 . 1 1 133 133 ARG H H 1 8.44 0.02 . 1 . . . . . . . . 4567 1 1004 . 1 1 133 133 ARG HA H 1 4.20 0.03 . 1 . . . . . . . . 4567 1 1005 . 1 1 133 133 ARG HB2 H 1 1.97 0.03 . 2 . . . . . . . . 4567 1 1006 . 1 1 133 133 ARG HB3 H 1 2.04 0.03 . 2 . . . . . . . . 4567 1 1007 . 1 1 133 133 ARG HG3 H 1 1.78 0.03 . 2 . . . . . . . . 4567 1 1008 . 1 1 133 133 ARG HD2 H 1 3.29 0.03 . 2 . . . . . . . . 4567 1 1009 . 1 1 133 133 ARG HD3 H 1 3.26 0.03 . 2 . . . . . . . . 4567 1 1010 . 1 1 133 133 ARG C C 13 177.27 0.10 . 1 . . . . . . . . 4567 1 1011 . 1 1 133 133 ARG CA C 13 58.20 0.20 . 1 . . . . . . . . 4567 1 1012 . 1 1 133 133 ARG CB C 13 31.07 0.20 . 1 . . . . . . . . 4567 1 1013 . 1 1 133 133 ARG CG C 13 27.60 0.20 . 1 . . . . . . . . 4567 1 1014 . 1 1 133 133 ARG CD C 13 42.96 0.20 . 1 . . . . . . . . 4567 1 1015 . 1 1 133 133 ARG N N 15 119.60 0.20 . 1 . . . . . . . . 4567 1 1016 . 1 1 134 134 ASP H H 1 8.10 0.02 . 1 . . . . . . . . 4567 1 1017 . 1 1 134 134 ASP HA H 1 4.71 0.03 . 1 . . . . . . . . 4567 1 1018 . 1 1 134 134 ASP HB2 H 1 2.67 0.03 . 2 . . . . . . . . 4567 1 1019 . 1 1 134 134 ASP HB3 H 1 2.98 0.03 . 2 . . . . . . . . 4567 1 1020 . 1 1 134 134 ASP C C 13 174.02 0.10 . 1 . . . . . . . . 4567 1 1021 . 1 1 134 134 ASP CA C 13 53.23 0.20 . 1 . . . . . . . . 4567 1 1022 . 1 1 134 134 ASP CB C 13 41.06 0.20 . 1 . . . . . . . . 4567 1 1023 . 1 1 134 134 ASP N N 15 117.90 0.20 . 1 . . . . . . . . 4567 1 1024 . 1 1 135 135 ARG H H 1 8.73 0.02 . 1 . . . . . . . . 4567 1 1025 . 1 1 135 135 ARG HA H 1 3.74 0.03 . 1 . . . . . . . . 4567 1 1026 . 1 1 135 135 ARG HB3 H 1 1.76 0.03 . 2 . . . . . . . . 4567 1 1027 . 1 1 135 135 ARG HG3 H 1 1.20 0.03 . 2 . . . . . . . . 4567 1 1028 . 1 1 135 135 ARG HD3 H 1 2.64 0.03 . 2 . . . . . . . . 4567 1 1029 . 1 1 135 135 ARG C C 13 177.89 0.10 . 1 . . . . . . . . 4567 1 1030 . 1 1 135 135 ARG CA C 13 57.75 0.20 . 1 . . . . . . . . 4567 1 1031 . 1 1 135 135 ARG CB C 13 29.03 0.20 . 1 . . . . . . . . 4567 1 1032 . 1 1 135 135 ARG CG C 13 26.60 0.20 . 1 . . . . . . . . 4567 1 1033 . 1 1 135 135 ARG N N 15 127.34 0.20 . 1 . . . . . . . . 4567 1 1034 . 1 1 136 136 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 4567 1 1035 . 1 1 136 136 GLU HA H 1 4.14 0.03 . 1 . . . . . . . . 4567 1 1036 . 1 1 136 136 GLU HB3 H 1 2.10 0.03 . 2 . . . . . . . . 4567 1 1037 . 1 1 136 136 GLU HG2 H 1 2.32 0.03 . 2 . . . . . . . . 4567 1 1038 . 1 1 136 136 GLU HG3 H 1 2.38 0.03 . 2 . . . . . . . . 4567 1 1039 . 1 1 136 136 GLU C C 13 179.34 0.10 . 1 . . . . . . . . 4567 1 1040 . 1 1 136 136 GLU CA C 13 59.39 0.20 . 1 . . . . . . . . 4567 1 1041 . 1 1 136 136 GLU CB C 13 29.15 0.20 . 1 . . . . . . . . 4567 1 1042 . 1 1 136 136 GLU CG C 13 36.66 0.20 . 1 . . . . . . . . 4567 1 1043 . 1 1 136 136 GLU N N 15 117.06 0.20 . 1 . . . . . . . . 4567 1 1044 . 1 1 137 137 SER H H 1 7.72 0.02 . 1 . . . . . . . . 4567 1 1045 . 1 1 137 137 SER HA H 1 4.29 0.03 . 1 . . . . . . . . 4567 1 1046 . 1 1 137 137 SER HB2 H 1 4.12 0.03 . 2 . . . . . . . . 4567 1 1047 . 1 1 137 137 SER HB3 H 1 4.09 0.03 . 2 . . . . . . . . 4567 1 1048 . 1 1 137 137 SER C C 13 178.32 0.10 . 1 . . . . . . . . 4567 1 1049 . 1 1 137 137 SER CA C 13 60.12 0.20 . 1 . . . . . . . . 4567 1 1050 . 1 1 137 137 SER CB C 13 62.21 0.20 . 1 . . . . . . . . 4567 1 1051 . 1 1 137 137 SER N N 15 114.94 0.20 . 1 . . . . . . . . 4567 1 1052 . 1 1 138 138 PHE H H 1 8.70 0.02 . 1 . . . . . . . . 4567 1 1053 . 1 1 138 138 PHE C C 13 176.05 0.10 . 1 . . . . . . . . 4567 1 1054 . 1 1 138 138 PHE CA C 13 62.79 0.20 . 1 . . . . . . . . 4567 1 1055 . 1 1 138 138 PHE CB C 13 38.30 0.20 . 1 . . . . . . . . 4567 1 1056 . 1 1 138 138 PHE N N 15 125.37 0.20 . 1 . . . . . . . . 4567 1 1057 . 1 1 139 139 ASN H H 1 8.97 0.02 . 1 . . . . . . . . 4567 1 1058 . 1 1 139 139 ASN HA H 1 4.16 0.03 . 1 . . . . . . . . 4567 1 1059 . 1 1 139 139 ASN HB3 H 1 3.16 0.03 . 2 . . . . . . . . 4567 1 1060 . 1 1 139 139 ASN C C 13 178.19 0.10 . 1 . . . . . . . . 4567 1 1061 . 1 1 139 139 ASN CA C 13 55.57 0.20 . 1 . . . . . . . . 4567 1 1062 . 1 1 139 139 ASN CB C 13 37.30 0.20 . 1 . . . . . . . . 4567 1 1063 . 1 1 139 139 ASN N N 15 120.52 0.20 . 1 . . . . . . . . 4567 1 1064 . 1 1 140 140 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 4567 1 1065 . 1 1 140 140 LYS HA H 1 4.06 0.03 . 1 . . . . . . . . 4567 1 1066 . 1 1 140 140 LYS HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4567 1 1067 . 1 1 140 140 LYS HG3 H 1 1.53 0.03 . 2 . . . . . . . . 4567 1 1068 . 1 1 140 140 LYS HD3 H 1 1.70 0.03 . 2 . . . . . . . . 4567 1 1069 . 1 1 140 140 LYS HE3 H 1 3.03 0.03 . 2 . . . . . . . . 4567 1 1070 . 1 1 140 140 LYS C C 13 179.89 0.10 . 1 . . . . . . . . 4567 1 1071 . 1 1 140 140 LYS CA C 13 59.62 0.20 . 1 . . . . . . . . 4567 1 1072 . 1 1 140 140 LYS CB C 13 32.44 0.20 . 1 . . . . . . . . 4567 1 1073 . 1 1 140 140 LYS CG C 13 25.47 0.20 . 1 . . . . . . . . 4567 1 1074 . 1 1 140 140 LYS CD C 13 29.32 0.20 . 1 . . . . . . . . 4567 1 1075 . 1 1 140 140 LYS CE C 13 42.13 0.20 . 1 . . . . . . . . 4567 1 1076 . 1 1 140 140 LYS N N 15 120.55 0.20 . 1 . . . . . . . . 4567 1 1077 . 1 1 141 141 THR H H 1 7.82 0.02 . 1 . . . . . . . . 4567 1 1078 . 1 1 141 141 THR HA H 1 3.77 0.03 . 1 . . . . . . . . 4567 1 1079 . 1 1 141 141 THR HB H 1 3.49 0.03 . 1 . . . . . . . . 4567 1 1080 . 1 1 141 141 THR HG21 H 1 -0.04 0.03 . 1 . . . . . . . . 4567 1 1081 . 1 1 141 141 THR HG22 H 1 -0.04 0.03 . 1 . . . . . . . . 4567 1 1082 . 1 1 141 141 THR HG23 H 1 -0.04 0.03 . 1 . . . . . . . . 4567 1 1083 . 1 1 141 141 THR C C 13 174.76 0.10 . 1 . . . . . . . . 4567 1 1084 . 1 1 141 141 THR CA C 13 67.32 0.20 . 1 . . . . . . . . 4567 1 1085 . 1 1 141 141 THR CB C 13 68.70 0.20 . 1 . . . . . . . . 4567 1 1086 . 1 1 141 141 THR CG2 C 13 19.87 0.20 . 1 . . . . . . . . 4567 1 1087 . 1 1 141 141 THR N N 15 119.45 0.20 . 1 . . . . . . . . 4567 1 1088 . 1 1 142 142 ALA H H 1 8.73 0.02 . 1 . . . . . . . . 4567 1 1089 . 1 1 142 142 ALA HA H 1 3.94 0.03 . 1 . . . . . . . . 4567 1 1090 . 1 1 142 142 ALA HB1 H 1 1.05 0.03 . 1 . . . . . . . . 4567 1 1091 . 1 1 142 142 ALA HB2 H 1 1.05 0.03 . 1 . . . . . . . . 4567 1 1092 . 1 1 142 142 ALA HB3 H 1 1.05 0.03 . 1 . . . . . . . . 4567 1 1093 . 1 1 142 142 ALA C C 13 180.83 0.10 . 1 . . . . . . . . 4567 1 1094 . 1 1 142 142 ALA CA C 13 55.58 0.20 . 1 . . . . . . . . 4567 1 1095 . 1 1 142 142 ALA CB C 13 17.45 0.20 . 1 . . . . . . . . 4567 1 1096 . 1 1 142 142 ALA N N 15 124.03 0.20 . 1 . . . . . . . . 4567 1 1097 . 1 1 143 143 ALA H H 1 8.39 0.02 . 1 . . . . . . . . 4567 1 1098 . 1 1 143 143 ALA HA H 1 4.59 0.03 . 1 . . . . . . . . 4567 1 1099 . 1 1 143 143 ALA HB1 H 1 1.53 0.03 . 1 . . . . . . . . 4567 1 1100 . 1 1 143 143 ALA HB2 H 1 1.53 0.03 . 1 . . . . . . . . 4567 1 1101 . 1 1 143 143 ALA HB3 H 1 1.53 0.03 . 1 . . . . . . . . 4567 1 1102 . 1 1 143 143 ALA C C 13 180.10 0.10 . 1 . . . . . . . . 4567 1 1103 . 1 1 143 143 ALA CA C 13 54.94 0.20 . 1 . . . . . . . . 4567 1 1104 . 1 1 143 143 ALA CB C 13 17.89 0.20 . 1 . . . . . . . . 4567 1 1105 . 1 1 143 143 ALA N N 15 122.34 0.20 . 1 . . . . . . . . 4567 1 1106 . 1 1 144 144 LEU H H 1 7.89 0.02 . 1 . . . . . . . . 4567 1 1107 . 1 1 144 144 LEU HA H 1 4.22 0.03 . 1 . . . . . . . . 4567 1 1108 . 1 1 144 144 LEU C C 13 178.88 0.10 . 1 . . . . . . . . 4567 1 1109 . 1 1 144 144 LEU CA C 13 58.43 0.20 . 1 . . . . . . . . 4567 1 1110 . 1 1 144 144 LEU CB C 13 41.19 0.20 . 1 . . . . . . . . 4567 1 1111 . 1 1 144 144 LEU N N 15 123.18 0.20 . 1 . . . . . . . . 4567 1 1112 . 1 1 145 145 TRP H H 1 9.19 0.02 . 1 . . . . . . . . 4567 1 1113 . 1 1 145 145 TRP HA H 1 4.31 0.03 . 1 . . . . . . . . 4567 1 1114 . 1 1 145 145 TRP C C 13 180.82 0.10 . 1 . . . . . . . . 4567 1 1115 . 1 1 145 145 TRP CA C 13 61.46 0.20 . 1 . . . . . . . . 4567 1 1116 . 1 1 145 145 TRP CB C 13 28.41 0.20 . 1 . . . . . . . . 4567 1 1117 . 1 1 145 145 TRP N N 15 119.18 0.20 . 1 . . . . . . . . 4567 1 1118 . 1 1 146 146 THR H H 1 8.51 0.02 . 1 . . . . . . . . 4567 1 1119 . 1 1 146 146 THR HA H 1 4.16 0.03 . 1 . . . . . . . . 4567 1 1120 . 1 1 146 146 THR HG21 H 1 1.20 0.03 . 1 . . . . . . . . 4567 1 1121 . 1 1 146 146 THR HG22 H 1 1.20 0.03 . 1 . . . . . . . . 4567 1 1122 . 1 1 146 146 THR HG23 H 1 1.20 0.03 . 1 . . . . . . . . 4567 1 1123 . 1 1 146 146 THR C C 13 176.44 0.10 . 1 . . . . . . . . 4567 1 1124 . 1 1 146 146 THR CA C 13 68.06 0.20 . 1 . . . . . . . . 4567 1 1125 . 1 1 146 146 THR CG2 C 13 22.11 0.20 . 1 . . . . . . . . 4567 1 1126 . 1 1 146 146 THR N N 15 123.27 0.20 . 1 . . . . . . . . 4567 1 1127 . 1 1 147 147 ARG H H 1 7.91 0.02 . 1 . . . . . . . . 4567 1 1128 . 1 1 147 147 ARG HA H 1 3.99 0.03 . 1 . . . . . . . . 4567 1 1129 . 1 1 147 147 ARG HB3 H 1 1.92 0.03 . 2 . . . . . . . . 4567 1 1130 . 1 1 147 147 ARG C C 13 178.70 0.10 . 1 . . . . . . . . 4567 1 1131 . 1 1 147 147 ARG CA C 13 59.14 0.20 . 1 . . . . . . . . 4567 1 1132 . 1 1 147 147 ARG CB C 13 30.11 0.20 . 1 . . . . . . . . 4567 1 1133 . 1 1 147 147 ARG N N 15 122.61 0.20 . 1 . . . . . . . . 4567 1 1134 . 1 1 148 148 LEU H H 1 8.56 0.02 . 1 . . . . . . . . 4567 1 1135 . 1 1 148 148 LEU HA H 1 3.82 0.03 . 1 . . . . . . . . 4567 1 1136 . 1 1 148 148 LEU HD11 H 1 0.73 0.03 . 2 . . . . . . . . 4567 1 1137 . 1 1 148 148 LEU HD12 H 1 0.73 0.03 . 2 . . . . . . . . 4567 1 1138 . 1 1 148 148 LEU HD13 H 1 0.73 0.03 . 2 . . . . . . . . 4567 1 1139 . 1 1 148 148 LEU HD21 H 1 0.27 0.03 . 2 . . . . . . . . 4567 1 1140 . 1 1 148 148 LEU HD22 H 1 0.27 0.03 . 2 . . . . . . . . 4567 1 1141 . 1 1 148 148 LEU HD23 H 1 0.27 0.03 . 2 . . . . . . . . 4567 1 1142 . 1 1 148 148 LEU C C 13 180.00 0.10 . 1 . . . . . . . . 4567 1 1143 . 1 1 148 148 LEU CA C 13 57.02 0.20 . 1 . . . . . . . . 4567 1 1144 . 1 1 148 148 LEU CB C 13 41.87 0.20 . 1 . . . . . . . . 4567 1 1145 . 1 1 148 148 LEU N N 15 116.77 0.20 . 1 . . . . . . . . 4567 1 1146 . 1 1 149 149 TYR H H 1 8.12 0.02 . 1 . . . . . . . . 4567 1 1147 . 1 1 149 149 TYR HA H 1 5.06 0.03 . 1 . . . . . . . . 4567 1 1148 . 1 1 149 149 TYR HB3 H 1 3.63 0.03 . 2 . . . . . . . . 4567 1 1149 . 1 1 149 149 TYR C C 13 176.20 0.10 . 1 . . . . . . . . 4567 1 1150 . 1 1 149 149 TYR CA C 13 57.30 0.20 . 1 . . . . . . . . 4567 1 1151 . 1 1 149 149 TYR CB C 13 39.99 0.20 . 1 . . . . . . . . 4567 1 1152 . 1 1 149 149 TYR N N 15 113.40 0.20 . 1 . . . . . . . . 4567 1 1153 . 1 1 150 150 ALA H H 1 7.85 0.02 . 1 . . . . . . . . 4567 1 1154 . 1 1 150 150 ALA HA H 1 4.87 0.03 . 1 . . . . . . . . 4567 1 1155 . 1 1 150 150 ALA HB1 H 1 1.07 0.03 . 1 . . . . . . . . 4567 1 1156 . 1 1 150 150 ALA HB2 H 1 1.07 0.03 . 1 . . . . . . . . 4567 1 1157 . 1 1 150 150 ALA HB3 H 1 1.07 0.03 . 1 . . . . . . . . 4567 1 1158 . 1 1 150 150 ALA C C 13 176.24 0.10 . 1 . . . . . . . . 4567 1 1159 . 1 1 150 150 ALA CA C 13 50.87 0.20 . 1 . . . . . . . . 4567 1 1160 . 1 1 150 150 ALA CB C 13 20.31 0.20 . 1 . . . . . . . . 4567 1 1161 . 1 1 150 150 ALA N N 15 124.27 0.20 . 1 . . . . . . . . 4567 1 1162 . 1 1 151 151 SER H H 1 7.48 0.02 . 1 . . . . . . . . 4567 1 1163 . 1 1 151 151 SER HA H 1 4.47 0.03 . 1 . . . . . . . . 4567 1 1164 . 1 1 151 151 SER HB2 H 1 3.91 0.03 . 1 . . . . . . . . 4567 1 1165 . 1 1 151 151 SER HB3 H 1 3.91 0.03 . 1 . . . . . . . . 4567 1 1166 . 1 1 151 151 SER C C 13 178.93 0.10 . 1 . . . . . . . . 4567 1 1167 . 1 1 151 151 SER CA C 13 59.63 0.20 . 1 . . . . . . . . 4567 1 1168 . 1 1 151 151 SER CB C 13 65.03 0.20 . 1 . . . . . . . . 4567 1 1169 . 1 1 151 151 SER N N 15 119.61 0.20 . 1 . . . . . . . . 4567 1 stop_ save_