data_15545 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15545 _Entry.Title ; 1H 13C and 15N chemical shift for the human FLN29 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-05 _Entry.Accession_date 2007-11-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'N-terminal TRAF-like RING zinc finger domain of human FLN29' _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 Simon Sauve . . . 15545 2 Genevieve Gingras . . . 15545 3 Remy Aubin . . . 15545 4 Derek Hodgson . . . 15545 5 Yves Aubin . . . 15545 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Aubin Group, Centre for Biologics Research, Health Canada' . 15545 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15545 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 544 15545 '15N chemical shifts' 136 15545 '1H chemical shifts' 635 15545 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 3 . . 2009-08-13 2007-11-05 update BMRB 'added PubMed ID' 15545 2 . . 2008-06-05 2007-11-05 update BMRB 'complete entry citation' 15545 1 . . 2008-01-17 2007-11-05 original author 'original release' 15545 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15545 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636918 _Citation.Full_citation . _Citation.Title 'NMR assignment of the N-terminal TRAF-like RING zinc finger domain of human FLN29' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 33 _Citation.Page_last 36 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Simon Sauve . . . 15545 1 2 Genevieve Gingras . . . 15545 1 3 Remy Aubin . A. . 15545 1 4 Derek Hodgson . J. . 15545 1 5 Yves Aubin . . . 15545 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cancer 15545 1 FLN-29 15545 1 RING 15545 1 'TRAF domain' 15545 1 'zinc finger' 15545 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15545 _Assembly.ID 1 _Assembly.Name FLN29+4Zn _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'The assembly contains metal coordination bonds within the Zinc-finger motifs' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FLN29 1 $FLN29 A . yes native no no . . . 15545 1 2 'Zinc ion, 1' 2 $ZN A . no native no no . . . 15545 1 3 'Zinc ion, 2' 2 $ZN A . no native no no . . . 15545 1 4 'Zinc ion, 3' 2 $ZN A . no native no no . . . 15545 1 5 'Zinc ion, 4' 2 $ZN A . no native no no . . . 15545 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FLN29 _Entity.Sf_category entity _Entity.Sf_framecode FLN29 _Entity.Entry_ID 15545 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FLN29 _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 ; GMAEFLDDQETRLCDNCKKE IPVFNFTIHEIHCQRNIGMC PTCKEPFPKSDMETHMAAEH CQVTCKCNKKLEKRLLKKHE ETECPLRLAVCQHCDLELSI LKLKEHEDYCGARTELCGNC GRNVLVKDLKTHPEVCGREG E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The glycine residue in position 1 results from the TEV protease cleavage of the Histidine tag and is not part of the native N-terminal FLN29 sequence' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'This construct contains the first 140 residues in N-terminal of the full 582 residues protein.' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16218.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 DBJ BAA22541 . "Fln29 [Homo sapiens]" . . . . . 99.29 582 100.00 100.00 2.01e-94 . . . . 15545 1 2 no DBJ BAE00351 . "unnamed protein product [Macaca fascicularis]" . . . . . 99.29 582 99.29 99.29 1.59e-93 . . . . 15545 1 3 no DBJ BAF84020 . "unnamed protein product [Homo sapiens]" . . . . . 99.29 582 99.29 99.29 2.72e-93 . . . . 15545 1 4 no DBJ BAI46493 . "TRAF-type zinc finger domain containing 1 [synthetic construct]" . . . . . 99.29 582 100.00 100.00 2.01e-94 . . . . 15545 1 5 no GB AAH03553 . "TRAF-type zinc finger domain containing 1 [Homo sapiens]" . . . . . 99.29 582 100.00 100.00 2.01e-94 . . . . 15545 1 6 no GB ABM83456 . "TRAF-type zinc finger domain containing 1 [synthetic construct]" . . . . . 99.29 582 100.00 100.00 2.01e-94 . . . . 15545 1 7 no GB ABM86667 . "TRAF-type zinc finger domain containing 1 [synthetic construct]" . . . . . 99.29 582 100.00 100.00 2.01e-94 . . . . 15545 1 8 no GB AIC50745 . "TRAFD1, partial [synthetic construct]" . . . . . 99.29 582 100.00 100.00 2.01e-94 . . . . 15545 1 9 no GB EAW97995 . "TRAF-type zinc finger domain containing 1, isoform CRA_a [Homo sapiens]" . . . . . 99.29 582 100.00 100.00 2.01e-94 . . . . 15545 1 10 no REF NP_001137378 . "TRAF-type zinc finger domain-containing protein 1 [Homo sapiens]" . . . . . 99.29 582 100.00 100.00 2.01e-94 . . . . 15545 1 11 no REF NP_001253436 . "TRAF-type zinc finger domain-containing protein 1 [Macaca mulatta]" . . . . . 99.29 582 99.29 99.29 1.52e-93 . . . . 15545 1 12 no REF NP_001271978 . "TRAF-type zinc finger domain-containing protein 1 [Macaca fascicularis]" . . . . . 99.29 582 99.29 99.29 1.59e-93 . . . . 15545 1 13 no REF NP_006691 . "TRAF-type zinc finger domain-containing protein 1 [Homo sapiens]" . . . . . 99.29 582 100.00 100.00 2.01e-94 . . . . 15545 1 14 no REF XP_002753069 . "PREDICTED: TRAF-type zinc finger domain-containing protein 1 isoform X1 [Callithrix jacchus]" . . . . . 99.29 638 97.86 99.29 3.87e-92 . . . . 15545 1 15 no SP O14545 . "RecName: Full=TRAF-type zinc finger domain-containing protein 1; AltName: Full=Protein FLN29" . . . . . 99.29 582 100.00 100.00 2.01e-94 . . . . 15545 1 16 no SP Q4R970 . "RecName: Full=TRAF-type zinc finger domain-containing protein 1" . . . . . 99.29 582 99.29 99.29 1.59e-93 . . . . 15545 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'interferon inducible gene' 15545 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 . GLY . 15545 1 2 . MET . 15545 1 3 . ALA . 15545 1 4 . GLU . 15545 1 5 . PHE . 15545 1 6 . LEU . 15545 1 7 . ASP . 15545 1 8 . ASP . 15545 1 9 . GLN . 15545 1 10 . GLU . 15545 1 11 . THR . 15545 1 12 . ARG . 15545 1 13 . LEU . 15545 1 14 . CYS . 15545 1 15 . ASP . 15545 1 16 . ASN . 15545 1 17 . CYS . 15545 1 18 . LYS . 15545 1 19 . LYS . 15545 1 20 . GLU . 15545 1 21 . ILE . 15545 1 22 . PRO . 15545 1 23 . VAL . 15545 1 24 . PHE . 15545 1 25 . ASN . 15545 1 26 . PHE . 15545 1 27 . THR . 15545 1 28 . ILE . 15545 1 29 . HIS . 15545 1 30 . GLU . 15545 1 31 . ILE . 15545 1 32 . HIS . 15545 1 33 . CYS . 15545 1 34 . GLN . 15545 1 35 . ARG . 15545 1 36 . ASN . 15545 1 37 . ILE . 15545 1 38 . GLY . 15545 1 39 . MET . 15545 1 40 . CYS . 15545 1 41 . PRO . 15545 1 42 . THR . 15545 1 43 . CYS . 15545 1 44 . LYS . 15545 1 45 . GLU . 15545 1 46 . PRO . 15545 1 47 . PHE . 15545 1 48 . PRO . 15545 1 49 . LYS . 15545 1 50 . SER . 15545 1 51 . ASP . 15545 1 52 . MET . 15545 1 53 . GLU . 15545 1 54 . THR . 15545 1 55 . HIS . 15545 1 56 . MET . 15545 1 57 . ALA . 15545 1 58 . ALA . 15545 1 59 . GLU . 15545 1 60 . HIS . 15545 1 61 . CYS . 15545 1 62 . GLN . 15545 1 63 . VAL . 15545 1 64 . THR . 15545 1 65 . CYS . 15545 1 66 . LYS . 15545 1 67 . CYS . 15545 1 68 . ASN . 15545 1 69 . LYS . 15545 1 70 . LYS . 15545 1 71 . LEU . 15545 1 72 . GLU . 15545 1 73 . LYS . 15545 1 74 . ARG . 15545 1 75 . LEU . 15545 1 76 . LEU . 15545 1 77 . LYS . 15545 1 78 . LYS . 15545 1 79 . HIS . 15545 1 80 . GLU . 15545 1 81 . GLU . 15545 1 82 . THR . 15545 1 83 . GLU . 15545 1 84 . CYS . 15545 1 85 . PRO . 15545 1 86 . LEU . 15545 1 87 . ARG . 15545 1 88 . LEU . 15545 1 89 . ALA . 15545 1 90 . VAL . 15545 1 91 . CYS . 15545 1 92 . GLN . 15545 1 93 . HIS . 15545 1 94 . CYS . 15545 1 95 . ASP . 15545 1 96 . LEU . 15545 1 97 . GLU . 15545 1 98 . LEU . 15545 1 99 . SER . 15545 1 100 . ILE . 15545 1 101 . LEU . 15545 1 102 . LYS . 15545 1 103 . LEU . 15545 1 104 . LYS . 15545 1 105 . GLU . 15545 1 106 . HIS . 15545 1 107 . GLU . 15545 1 108 . ASP . 15545 1 109 . TYR . 15545 1 110 . CYS . 15545 1 111 . GLY . 15545 1 112 . ALA . 15545 1 113 . ARG . 15545 1 114 . THR . 15545 1 115 . GLU . 15545 1 116 . LEU . 15545 1 117 . CYS . 15545 1 118 . GLY . 15545 1 119 . ASN . 15545 1 120 . CYS . 15545 1 121 . GLY . 15545 1 122 . ARG . 15545 1 123 . ASN . 15545 1 124 . VAL . 15545 1 125 . LEU . 15545 1 126 . VAL . 15545 1 127 . LYS . 15545 1 128 . ASP . 15545 1 129 . LEU . 15545 1 130 . LYS . 15545 1 131 . THR . 15545 1 132 . HIS . 15545 1 133 . PRO . 15545 1 134 . GLU . 15545 1 135 . VAL . 15545 1 136 . CYS . 15545 1 137 . GLY . 15545 1 138 . ARG . 15545 1 139 . GLU . 15545 1 140 . GLY . 15545 1 141 . GLU . 15545 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15545 1 . MET 2 2 15545 1 . ALA 3 3 15545 1 . GLU 4 4 15545 1 . PHE 5 5 15545 1 . LEU 6 6 15545 1 . ASP 7 7 15545 1 . ASP 8 8 15545 1 . GLN 9 9 15545 1 . GLU 10 10 15545 1 . THR 11 11 15545 1 . ARG 12 12 15545 1 . LEU 13 13 15545 1 . CYS 14 14 15545 1 . ASP 15 15 15545 1 . ASN 16 16 15545 1 . CYS 17 17 15545 1 . LYS 18 18 15545 1 . LYS 19 19 15545 1 . GLU 20 20 15545 1 . ILE 21 21 15545 1 . PRO 22 22 15545 1 . VAL 23 23 15545 1 . PHE 24 24 15545 1 . ASN 25 25 15545 1 . PHE 26 26 15545 1 . THR 27 27 15545 1 . ILE 28 28 15545 1 . HIS 29 29 15545 1 . GLU 30 30 15545 1 . ILE 31 31 15545 1 . HIS 32 32 15545 1 . CYS 33 33 15545 1 . GLN 34 34 15545 1 . ARG 35 35 15545 1 . ASN 36 36 15545 1 . ILE 37 37 15545 1 . GLY 38 38 15545 1 . MET 39 39 15545 1 . CYS 40 40 15545 1 . PRO 41 41 15545 1 . THR 42 42 15545 1 . CYS 43 43 15545 1 . LYS 44 44 15545 1 . GLU 45 45 15545 1 . PRO 46 46 15545 1 . PHE 47 47 15545 1 . PRO 48 48 15545 1 . LYS 49 49 15545 1 . SER 50 50 15545 1 . ASP 51 51 15545 1 . MET 52 52 15545 1 . GLU 53 53 15545 1 . THR 54 54 15545 1 . HIS 55 55 15545 1 . MET 56 56 15545 1 . ALA 57 57 15545 1 . ALA 58 58 15545 1 . GLU 59 59 15545 1 . HIS 60 60 15545 1 . CYS 61 61 15545 1 . GLN 62 62 15545 1 . VAL 63 63 15545 1 . THR 64 64 15545 1 . CYS 65 65 15545 1 . LYS 66 66 15545 1 . CYS 67 67 15545 1 . ASN 68 68 15545 1 . LYS 69 69 15545 1 . LYS 70 70 15545 1 . LEU 71 71 15545 1 . GLU 72 72 15545 1 . LYS 73 73 15545 1 . ARG 74 74 15545 1 . LEU 75 75 15545 1 . LEU 76 76 15545 1 . LYS 77 77 15545 1 . LYS 78 78 15545 1 . HIS 79 79 15545 1 . GLU 80 80 15545 1 . GLU 81 81 15545 1 . THR 82 82 15545 1 . GLU 83 83 15545 1 . CYS 84 84 15545 1 . PRO 85 85 15545 1 . LEU 86 86 15545 1 . ARG 87 87 15545 1 . LEU 88 88 15545 1 . ALA 89 89 15545 1 . VAL 90 90 15545 1 . CYS 91 91 15545 1 . GLN 92 92 15545 1 . HIS 93 93 15545 1 . CYS 94 94 15545 1 . ASP 95 95 15545 1 . LEU 96 96 15545 1 . GLU 97 97 15545 1 . LEU 98 98 15545 1 . SER 99 99 15545 1 . ILE 100 100 15545 1 . LEU 101 101 15545 1 . LYS 102 102 15545 1 . LEU 103 103 15545 1 . LYS 104 104 15545 1 . GLU 105 105 15545 1 . HIS 106 106 15545 1 . GLU 107 107 15545 1 . ASP 108 108 15545 1 . TYR 109 109 15545 1 . CYS 110 110 15545 1 . GLY 111 111 15545 1 . ALA 112 112 15545 1 . ARG 113 113 15545 1 . THR 114 114 15545 1 . GLU 115 115 15545 1 . LEU 116 116 15545 1 . CYS 117 117 15545 1 . GLY 118 118 15545 1 . ASN 119 119 15545 1 . CYS 120 120 15545 1 . GLY 121 121 15545 1 . ARG 122 122 15545 1 . ASN 123 123 15545 1 . VAL 124 124 15545 1 . LEU 125 125 15545 1 . VAL 126 126 15545 1 . LYS 127 127 15545 1 . ASP 128 128 15545 1 . LEU 129 129 15545 1 . LYS 130 130 15545 1 . THR 131 131 15545 1 . HIS 132 132 15545 1 . PRO 133 133 15545 1 . GLU 134 134 15545 1 . VAL 135 135 15545 1 . CYS 136 136 15545 1 . GLY 137 137 15545 1 . ARG 138 138 15545 1 . GLU 139 139 15545 1 . GLY 140 140 15545 1 . GLU 141 141 15545 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15545 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 15545 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15545 _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 $FLN29 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'gene of unknown function located at hCh12q24.1' . . 15545 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 15545 _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 $FLN29 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pet15b10 . . . . . . 15545 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15545 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 15545 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15545 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15545 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15545 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'zinc(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15545 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15545 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15545 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 200 uM FLN29 20 mM NaPi 50 uM ZnCl2 1 mM DTT pH 7.4 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FLN29 '[U-99% 13C; U-99% 15N]' . . 1 $FLN29 . . 200 . . uM . . . . 15545 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15545 1 3 'zinc chloride' 'natural abundance' . . . . . . 50 . . uM . . . . 15545 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15545 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15545 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15545 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM FLN29 20 mM NaPi 50 uM ZnCl2 1 mM DTT pH 7.4 ; _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 FLN29 '[U-100% 13C; U-100% 15N]' . . 1 $FLN29 . . 400 . . uM . . . . 15545 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15545 2 3 'zinc chloride' 'natural abundance' . . . . . . 50 . . uM . . . . 15545 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15545 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15545 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15545 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Buffer 20 mM NaPi 50 uM ZnCl2 1 mM DTT pH 7.4 ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 15545 1 pH 7.4 . pH 15545 1 pressure 1 . atm 15545 1 temperature 308 . K 15545 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15545 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details 'NMR spectra processing and displaying software' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15545 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15545 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15545 _Software.ID 2 _Software.Name NMRView _Software.Version 7.0.16 _Software.Details 'Visualization and analysis of NMR Data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15545 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15545 2 'data analysis' 15545 2 'peak picking' 15545 2 stop_ save_ save_Smartnotebook _Software.Sf_category software _Software.Sf_framecode Smartnotebook _Software.Entry_ID 15545 _Software.ID 3 _Software.Name Smartnotebook _Software.Version 5.0.6 _Software.Details 'assisted protein sequential NMR assignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brian Sykes Laboratory' . . 15545 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15545 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15545 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Health Canada triple resonance cryoprobe ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15545 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details ; IRIC Montreal triple resonance cryoprobe ; _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15545 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details ; Health Canada triple resonance cryoprobe ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15545 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 ; Health Canada triple resonance cryoprobe ; . . 15545 1 2 spectrometer_2 Varian INOVA . 600 ; IRIC Montreal triple resonance cryoprobe ; . . 15545 1 3 spectrometer_3 Bruker 'Avance III' . 600 ; Health Canada triple resonance cryoprobe ; . . 15545 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 15545 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15545 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15545 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15545 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15545 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15545 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15545 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15545 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15545 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15545 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15545 1 11 '3D C(CO)NH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15545 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15545 1 13 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15545 1 14 '3D C(CO)NH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15545 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15545 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15545 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15545 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15545 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15545 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15545 1 2 '3D HNCACB' . . . 15545 1 3 '3D CBCA(CO)NH' . . . 15545 1 4 '3D HNCO' . . . 15545 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 MET C C 13 176.012 . . . . . . . 2 M C . 15545 1 2 . 1 1 2 2 MET CA C 13 55.843 . . . . . . . 2 M CA . 15545 1 3 . 1 1 2 2 MET CB C 13 33.329 . . . . . . . 2 M CB . 15545 1 4 . 1 1 2 2 MET CE C 13 15.600 . . . . . . . 2 M CE . 15545 1 5 . 1 1 2 2 MET CG C 13 32.063 . . . . . . . 2 M CG . 15545 1 6 . 1 1 3 3 ALA H H 1 8.484 . . . . . . . 3 A HN . 15545 1 7 . 1 1 3 3 ALA HA H 1 4.047 . . . . . . . 3 A HA . 15545 1 8 . 1 1 3 3 ALA HB1 H 1 1.493 . . . . . . . 3 A HB1 . 15545 1 9 . 1 1 3 3 ALA HB2 H 1 1.493 . . . . . . . 3 A HB1 . 15545 1 10 . 1 1 3 3 ALA HB3 H 1 1.493 . . . . . . . 3 A HB1 . 15545 1 11 . 1 1 3 3 ALA C C 13 177.381 . . . . . . . 3 A C . 15545 1 12 . 1 1 3 3 ALA CA C 13 52.887 . . . . . . . 3 A CA . 15545 1 13 . 1 1 3 3 ALA CB C 13 18.929 . . . . . . . 3 A CB . 15545 1 14 . 1 1 3 3 ALA N N 15 125.153 . . . . . . . 3 A N . 15545 1 15 . 1 1 4 4 GLU H H 1 8.348 . . . . . . . 4 E HN . 15545 1 16 . 1 1 4 4 GLU HA H 1 4.487 . . . . . . . 4 E HA . 15545 1 17 . 1 1 4 4 GLU C C 13 175.963 . . . . . . . 4 E C . 15545 1 18 . 1 1 4 4 GLU CA C 13 56.985 . . . . . . . 4 E CA . 15545 1 19 . 1 1 4 4 GLU CB C 13 30.639 . . . . . . . 4 E CB . 15545 1 20 . 1 1 4 4 GLU CG C 13 32.698 . . . . . . . 4 E CG . 15545 1 21 . 1 1 4 4 GLU N N 15 119.698 . . . . . . . 4 E N . 15545 1 22 . 1 1 5 5 PHE H H 1 8.151 . . . . . . . 5 F HN . 15545 1 23 . 1 1 5 5 PHE HA H 1 4.534 . . . . . . . 5 F HA . 15545 1 24 . 1 1 5 5 PHE HB2 H 1 3.117 . . . . . . . 5 F HB1 . 15545 1 25 . 1 1 5 5 PHE C C 13 175.306 . . . . . . . 5 F C . 15545 1 26 . 1 1 5 5 PHE CA C 13 57.571 . . . . . . . 5 F CA . 15545 1 27 . 1 1 5 5 PHE CB C 13 39.421 . . . . . . . 5 F CB . 15545 1 28 . 1 1 5 5 PHE N N 15 120.116 . . . . . . . 5 F N . 15545 1 29 . 1 1 6 6 LEU H H 1 8.192 . . . . . . . 6 L HN . 15545 1 30 . 1 1 6 6 LEU HA H 1 4.396 . . . . . . . 6 L HA . 15545 1 31 . 1 1 6 6 LEU HB2 H 1 1.633 . . . . . . . 6 L HB1 . 15545 1 32 . 1 1 6 6 LEU HD11 H 1 0.937 . . . . . . . 6 L HD11 . 15545 1 33 . 1 1 6 6 LEU HD12 H 1 0.937 . . . . . . . 6 L HD11 . 15545 1 34 . 1 1 6 6 LEU HD13 H 1 0.937 . . . . . . . 6 L HD11 . 15545 1 35 . 1 1 6 6 LEU HD21 H 1 0.887 . . . . . . . 6 L HD21 . 15545 1 36 . 1 1 6 6 LEU HD22 H 1 0.887 . . . . . . . 6 L HD21 . 15545 1 37 . 1 1 6 6 LEU HD23 H 1 0.887 . . . . . . . 6 L HD21 . 15545 1 38 . 1 1 6 6 LEU HG H 1 1.592 . . . . . . . 6 L HG . 15545 1 39 . 1 1 6 6 LEU C C 13 176.718 . . . . . . . 6 L C . 15545 1 40 . 1 1 6 6 LEU CA C 13 55.229 . . . . . . . 6 L CA . 15545 1 41 . 1 1 6 6 LEU CB C 13 42.934 . . . . . . . 6 L CB . 15545 1 42 . 1 1 6 6 LEU CD1 C 13 25.111 . . . . . . . 6 L CD1 . 15545 1 43 . 1 1 6 6 LEU CD2 C 13 23.816 . . . . . . . 6 L CD2 . 15545 1 44 . 1 1 6 6 LEU CG C 13 27.121 . . . . . . . 6 L CG . 15545 1 45 . 1 1 6 6 LEU N N 15 123.910 . . . . . . . 6 L N . 15545 1 46 . 1 1 7 7 ASP H H 1 8.233 . . . . . . . 7 D HN . 15545 1 47 . 1 1 7 7 ASP HA H 1 4.644 . . . . . . . 7 D HA . 15545 1 48 . 1 1 7 7 ASP HB2 H 1 2.822 . . . . . . . 7 D HB1 . 15545 1 49 . 1 1 7 7 ASP HB3 H 1 2.645 . . . . . . . 7 D HB2 . 15545 1 50 . 1 1 7 7 ASP C C 13 176.057 . . . . . . . 7 D C . 15545 1 51 . 1 1 7 7 ASP CA C 13 54.643 . . . . . . . 7 D CA . 15545 1 52 . 1 1 7 7 ASP CB C 13 41.178 . . . . . . . 7 D CB . 15545 1 53 . 1 1 7 7 ASP N N 15 121.238 . . . . . . . 7 D N . 15545 1 54 . 1 1 8 8 ASP H H 1 8.314 . . . . . . . 8 D HN . 15545 1 55 . 1 1 8 8 ASP HA H 1 4.636 . . . . . . . 8 D HA . 15545 1 56 . 1 1 8 8 ASP HB2 H 1 2.766 . . . . . . . 8 D HB1 . 15545 1 57 . 1 1 8 8 ASP C C 13 176.278 . . . . . . . 8 D C . 15545 1 58 . 1 1 8 8 ASP CA C 13 54.643 . . . . . . . 8 D CA . 15545 1 59 . 1 1 8 8 ASP CB C 13 41.178 . . . . . . . 8 D CB . 15545 1 60 . 1 1 8 8 ASP N N 15 120.673 . . . . . . . 8 D N . 15545 1 61 . 1 1 9 9 GLN H H 1 8.258 . . . . . . . 9 Q HN . 15545 1 62 . 1 1 9 9 GLN HA H 1 4.487 . . . . . . . 9 Q HA . 15545 1 63 . 1 1 9 9 GLN HB2 H 1 2.292 . . . . . . . 9 Q HB1 . 15545 1 64 . 1 1 9 9 GLN HB3 H 1 2.085 . . . . . . . 9 Q HB2 . 15545 1 65 . 1 1 9 9 GLN HE21 H 1 6.834 . . . . . . . 9 Q HE21 . 15545 1 66 . 1 1 9 9 GLN HE22 H 1 7.684 . . . . . . . 9 Q HE22 . 15545 1 67 . 1 1 9 9 GLN C C 13 175.933 . . . . . . . 9 Q C . 15545 1 68 . 1 1 9 9 GLN CA C 13 55.814 . . . . . . . 9 Q CA . 15545 1 69 . 1 1 9 9 GLN CB C 13 30.053 . . . . . . . 9 Q CB . 15545 1 70 . 1 1 9 9 GLN CG C 13 34.139 . . . . . . . 9 Q CG . 15545 1 71 . 1 1 9 9 GLN N N 15 119.070 . . . . . . . 9 Q N . 15545 1 72 . 1 1 9 9 GLN NE2 N 15 109.389 . . . . . . . 9 Q NE2 . 15545 1 73 . 1 1 10 10 GLU H H 1 8.395 . . . . . . . 10 E HN . 15545 1 74 . 1 1 10 10 GLU HA H 1 4.331 . . . . . . . 10 E HA . 15545 1 75 . 1 1 10 10 GLU HB2 H 1 2.122 . . . . . . . 10 E HB1 . 15545 1 76 . 1 1 10 10 GLU C C 13 176.888 . . . . . . . 10 E C . 15545 1 77 . 1 1 10 10 GLU CA C 13 56.985 . . . . . . . 10 E CA . 15545 1 78 . 1 1 10 10 GLU CB C 13 30.639 . . . . . . . 10 E CB . 15545 1 79 . 1 1 10 10 GLU CG C 13 36.495 . . . . . . . 10 E CG . 15545 1 80 . 1 1 10 10 GLU N N 15 122.328 . . . . . . . 10 E N . 15545 1 81 . 1 1 11 11 THR H H 1 8.370 . . . . . . . 11 T HN . 15545 1 82 . 1 1 11 11 THR HA H 1 5.113 . . . . . . . 11 T HA . 15545 1 83 . 1 1 11 11 THR HB H 1 3.869 . . . . . . . 11 T HB . 15545 1 84 . 1 1 11 11 THR HG21 H 1 0.988 . . . . . . . 11 T HG21 . 15545 1 85 . 1 1 11 11 THR HG22 H 1 0.988 . . . . . . . 11 T HG21 . 15545 1 86 . 1 1 11 11 THR HG23 H 1 0.988 . . . . . . . 11 T HG21 . 15545 1 87 . 1 1 11 11 THR C C 13 173.428 . . . . . . . 11 T C . 15545 1 88 . 1 1 11 11 THR CA C 13 59.913 . . . . . . . 11 T CA . 15545 1 89 . 1 1 11 11 THR CB C 13 72.208 . . . . . . . 11 T CB . 15545 1 90 . 1 1 11 11 THR CG2 C 13 21.193 . . . . . . . 11 T CG2 . 15545 1 91 . 1 1 11 11 THR N N 15 114.362 . . . . . . . 11 T N . 15545 1 92 . 1 1 12 12 ARG H H 1 9.095 . . . . . . . 12 R HN . 15545 1 93 . 1 1 12 12 ARG HA H 1 4.487 . . . . . . . 12 R HA . 15545 1 94 . 1 1 12 12 ARG HB2 H 1 1.994 . . . . . . . 12 R HB1 . 15545 1 95 . 1 1 12 12 ARG HB3 H 1 1.297 . . . . . . . 12 R HB2 . 15545 1 96 . 1 1 12 12 ARG HD2 H 1 3.223 . . . . . . . 12 R HD1 . 15545 1 97 . 1 1 12 12 ARG C C 13 174.142 . . . . . . . 12 R C . 15545 1 98 . 1 1 12 12 ARG CA C 13 54.643 . . . . . . . 12 R CA . 15545 1 99 . 1 1 12 12 ARG CB C 13 33.566 . . . . . . . 12 R CB . 15545 1 100 . 1 1 12 12 ARG CD C 13 43.059 . . . . . . . 12 R CD . 15545 1 101 . 1 1 12 12 ARG CG C 13 26.463 . . . . . . . 12 R CG . 15545 1 102 . 1 1 12 12 ARG N N 15 120.420 . . . . . . . 12 R N . 15545 1 103 . 1 1 13 13 LEU H H 1 8.367 . . . . . . . 13 L HN . 15545 1 104 . 1 1 13 13 LEU HA H 1 4.331 . . . . . . . 13 L HA . 15545 1 105 . 1 1 13 13 LEU HB2 H 1 1.636 . . . . . . . 13 L HB1 . 15545 1 106 . 1 1 13 13 LEU HB3 H 1 1.430 . . . . . . . 13 L HB2 . 15545 1 107 . 1 1 13 13 LEU HD11 H 1 0.819 . . . . . . . 13 L HD11 . 15545 1 108 . 1 1 13 13 LEU HD12 H 1 0.819 . . . . . . . 13 L HD11 . 15545 1 109 . 1 1 13 13 LEU HD13 H 1 0.819 . . . . . . . 13 L HD11 . 15545 1 110 . 1 1 13 13 LEU HD21 H 1 0.690 . . . . . . . 13 L HD21 . 15545 1 111 . 1 1 13 13 LEU HD22 H 1 0.690 . . . . . . . 13 L HD21 . 15545 1 112 . 1 1 13 13 LEU HD23 H 1 0.690 . . . . . . . 13 L HD21 . 15545 1 113 . 1 1 13 13 LEU HG H 1 1.264 . . . . . . . 13 L HG . 15545 1 114 . 1 1 13 13 LEU C C 13 176.583 . . . . . . . 13 L C . 15545 1 115 . 1 1 13 13 LEU CA C 13 54.643 . . . . . . . 13 L CA . 15545 1 116 . 1 1 13 13 LEU CB C 13 42.934 . . . . . . . 13 L CB . 15545 1 117 . 1 1 13 13 LEU CD1 C 13 25.748 . . . . . . . 13 L CD1 . 15545 1 118 . 1 1 13 13 LEU CD2 C 13 23.941 . . . . . . . 13 L CD2 . 15545 1 119 . 1 1 13 13 LEU CG C 13 26.947 . . . . . . . 13 L CG . 15545 1 120 . 1 1 13 13 LEU N N 15 126.384 . . . . . . . 13 L N . 15545 1 121 . 1 1 14 14 CYS H H 1 8.784 . . . . . . . 14 C HN . 15545 1 122 . 1 1 14 14 CYS HA H 1 4.800 . . . . . . . 14 C HA . 15545 1 123 . 1 1 14 14 CYS HB2 H 1 3.600 . . . . . . . 14 C HB1 . 15545 1 124 . 1 1 14 14 CYS HB3 H 1 2.853 . . . . . . . 14 C HB2 . 15545 1 125 . 1 1 14 14 CYS C C 13 176.976 . . . . . . . 14 C C . 15545 1 126 . 1 1 14 14 CYS CA C 13 58.742 . . . . . . . 14 C CA . 15545 1 127 . 1 1 14 14 CYS CB C 13 30.639 . . . . . . . 14 C CB . 15545 1 128 . 1 1 14 14 CYS N N 15 130.302 . . . . . . . 14 C N . 15545 1 129 . 1 1 15 15 ASP H H 1 9.205 . . . . . . . 15 D HN . 15545 1 130 . 1 1 15 15 ASP HA H 1 4.487 . . . . . . . 15 D HA . 15545 1 131 . 1 1 15 15 ASP HB2 H 1 2.791 . . . . . . . 15 D HB1 . 15545 1 132 . 1 1 15 15 ASP C C 13 175.912 . . . . . . . 15 D C . 15545 1 133 . 1 1 15 15 ASP CA C 13 56.985 . . . . . . . 15 D CA . 15545 1 134 . 1 1 15 15 ASP CB C 13 41.763 . . . . . . . 15 D CB . 15545 1 135 . 1 1 15 15 ASP N N 15 129.697 . . . . . . . 15 D N . 15545 1 136 . 1 1 16 16 ASN H H 1 9.177 . . . . . . . 16 N HN . 15545 1 137 . 1 1 16 16 ASN HA H 1 4.800 . . . . . . . 16 N HA . 15545 1 138 . 1 1 16 16 ASN HB2 H 1 3.299 . . . . . . . 16 N HB1 . 15545 1 139 . 1 1 16 16 ASN HB3 H 1 2.697 . . . . . . . 16 N HB2 . 15545 1 140 . 1 1 16 16 ASN C C 13 174.316 . . . . . . . 16 N C . 15545 1 141 . 1 1 16 16 ASN CA C 13 56.400 . . . . . . . 16 N CA . 15545 1 142 . 1 1 16 16 ASN CB C 13 40.007 . . . . . . . 16 N CB . 15545 1 143 . 1 1 16 16 ASN N N 15 120.481 . . . . . . . 16 N N . 15545 1 144 . 1 1 17 17 CYS H H 1 8.008 . . . . . . . 17 C HN . 15545 1 145 . 1 1 17 17 CYS HA H 1 4.800 . . . . . . . 17 C HA . 15545 1 146 . 1 1 17 17 CYS HB2 H 1 3.214 . . . . . . . 17 C HB1 . 15545 1 147 . 1 1 17 17 CYS HB3 H 1 2.706 . . . . . . . 17 C HB2 . 15545 1 148 . 1 1 17 17 CYS C C 13 175.264 . . . . . . . 17 C C . 15545 1 149 . 1 1 17 17 CYS CA C 13 58.156 . . . . . . . 17 C CA . 15545 1 150 . 1 1 17 17 CYS CB C 13 31.810 . . . . . . . 17 C CB . 15545 1 151 . 1 1 17 17 CYS N N 15 113.884 . . . . . . . 17 C N . 15545 1 152 . 1 1 18 18 LYS H H 1 8.143 . . . . . . . 18 K HN . 15545 1 153 . 1 1 18 18 LYS HA H 1 4.019 . . . . . . . 18 K HA . 15545 1 154 . 1 1 18 18 LYS HB2 H 1 2.150 . . . . . . . 18 K HB1 . 15545 1 155 . 1 1 18 18 LYS HB3 H 1 2.103 . . . . . . . 18 K HB2 . 15545 1 156 . 1 1 18 18 LYS C C 13 175.131 . . . . . . . 18 K C . 15545 1 157 . 1 1 18 18 LYS CA C 13 56.985 . . . . . . . 18 K CA . 15545 1 158 . 1 1 18 18 LYS CB C 13 28.883 . . . . . . . 18 K CB . 15545 1 159 . 1 1 18 18 LYS CD C 13 28.803 . . . . . . . 18 K CD . 15545 1 160 . 1 1 18 18 LYS CE C 13 42.754 . . . . . . . 18 K CE . 15545 1 161 . 1 1 18 18 LYS CG C 13 25.185 . . . . . . . 18 K CG . 15545 1 162 . 1 1 18 18 LYS N N 15 116.996 . . . . . . . 18 K N . 15545 1 163 . 1 1 19 19 LYS H H 1 7.852 . . . . . . . 19 K HN . 15545 1 164 . 1 1 19 19 LYS HA H 1 4.644 . . . . . . . 19 K HA . 15545 1 165 . 1 1 19 19 LYS HB2 H 1 2.048 . . . . . . . 19 K HB1 . 15545 1 166 . 1 1 19 19 LYS HB3 H 1 1.759 . . . . . . . 19 K HB2 . 15545 1 167 . 1 1 19 19 LYS C C 13 175.761 . . . . . . . 19 K C . 15545 1 168 . 1 1 19 19 LYS CA C 13 54.643 . . . . . . . 19 K CA . 15545 1 169 . 1 1 19 19 LYS CB C 13 34.737 . . . . . . . 19 K CB . 15545 1 170 . 1 1 19 19 LYS CD C 13 28.706 . . . . . . . 19 K CD . 15545 1 171 . 1 1 19 19 LYS CE C 13 42.150 . . . . . . . 19 K CE . 15545 1 172 . 1 1 19 19 LYS CG C 13 25.019 . . . . . . . 19 K CG . 15545 1 173 . 1 1 19 19 LYS N N 15 118.020 . . . . . . . 19 K N . 15545 1 174 . 1 1 20 20 GLU H H 1 8.344 . . . . . . . 20 E HN . 15545 1 175 . 1 1 20 20 GLU HA H 1 4.331 . . . . . . . 20 E HA . 15545 1 176 . 1 1 20 20 GLU HB2 H 1 1.901 . . . . . . . 20 E HB1 . 15545 1 177 . 1 1 20 20 GLU HB3 H 1 1.768 . . . . . . . 20 E HB2 . 15545 1 178 . 1 1 20 20 GLU C C 13 175.603 . . . . . . . 20 E C . 15545 1 179 . 1 1 20 20 GLU CA C 13 56.400 . . . . . . . 20 E CA . 15545 1 180 . 1 1 20 20 GLU CB C 13 29.468 . . . . . . . 20 E CB . 15545 1 181 . 1 1 20 20 GLU CG C 13 36.056 . . . . . . . 20 E CG . 15545 1 182 . 1 1 20 20 GLU N N 15 120.050 . . . . . . . 20 E N . 15545 1 183 . 1 1 21 21 ILE H H 1 9.035 . . . . . . . 21 I HN . 15545 1 184 . 1 1 21 21 ILE HA H 1 4.644 . . . . . . . 21 I HA . 15545 1 185 . 1 1 21 21 ILE HB H 1 2.237 . . . . . . . 21 I HB . 15545 1 186 . 1 1 21 21 ILE HD11 H 1 0.304 . . . . . . . 21 I HD11 . 15545 1 187 . 1 1 21 21 ILE HD12 H 1 0.304 . . . . . . . 21 I HD12 . 15545 1 188 . 1 1 21 21 ILE HD13 H 1 0.304 . . . . . . . 21 I HD12 . 15545 1 189 . 1 1 21 21 ILE HG12 H 1 1.675 . . . . . . . 21 I HG11 . 15545 1 190 . 1 1 21 21 ILE HG13 H 1 0.314 . . . . . . . 21 I HG12 . 15545 1 191 . 1 1 21 21 ILE HG21 H 1 0.905 . . . . . . . 21 I HG21 . 15545 1 192 . 1 1 21 21 ILE HG22 H 1 0.905 . . . . . . . 21 I HG21 . 15545 1 193 . 1 1 21 21 ILE HG23 H 1 0.905 . . . . . . . 21 I HG21 . 15545 1 194 . 1 1 21 21 ILE CA C 13 55.230 . . . . . . . 21 I CA . 15545 1 195 . 1 1 21 21 ILE CB C 13 39.422 . . . . . . . 21 I CB . 15545 1 196 . 1 1 21 21 ILE CD1 C 13 9.017 . . . . . . . 21 I CD1 . 15545 1 197 . 1 1 21 21 ILE CG1 C 13 27.798 . . . . . . . 21 I CG1 . 15545 1 198 . 1 1 21 21 ILE CG2 C 13 16.037 . . . . . . . 21 I CG2 . 15545 1 199 . 1 1 21 21 ILE N N 15 128.299 . . . . . . . 21 I N . 15545 1 200 . 1 1 22 22 PRO HA H 1 4.483 . . . . . . . 22 P HA . 15545 1 201 . 1 1 22 22 PRO HB2 H 1 2.404 . . . . . . . 22 P HB1 . 15545 1 202 . 1 1 22 22 PRO HB3 H 1 1.717 . . . . . . . 22 P HB2 . 15545 1 203 . 1 1 22 22 PRO C C 13 178.483 . . . . . . . 22 P C . 15545 1 204 . 1 1 22 22 PRO CA C 13 63.426 . . . . . . . 22 P CA . 15545 1 205 . 1 1 22 22 PRO CB C 13 32.395 . . . . . . . 22 P CB . 15545 1 206 . 1 1 22 22 PRO CD C 13 51.295 . . . . . . . 22 P CD . 15545 1 207 . 1 1 22 22 PRO CG C 13 28.268 . . . . . . . 22 P CG . 15545 1 208 . 1 1 23 23 VAL H H 1 8.415 . . . . . . . 23 V HN . 15545 1 209 . 1 1 23 23 VAL HA H 1 4.071 . . . . . . . 23 V HA . 15545 1 210 . 1 1 23 23 VAL HB H 1 2.108 . . . . . . . 23 V HB . 15545 1 211 . 1 1 23 23 VAL HG11 H 1 0.888 . . . . . . . 23 V HG11 . 15545 1 212 . 1 1 23 23 VAL HG12 H 1 0.888 . . . . . . . 23 V HG11 . 15545 1 213 . 1 1 23 23 VAL HG13 H 1 0.888 . . . . . . . 23 V HG11 . 15545 1 214 . 1 1 23 23 VAL HG21 H 1 1.087 . . . . . . . 23 V HG21 . 15545 1 215 . 1 1 23 23 VAL HG22 H 1 1.087 . . . . . . . 23 V HG21 . 15545 1 216 . 1 1 23 23 VAL HG23 H 1 1.087 . . . . . . . 23 V HG21 . 15545 1 217 . 1 1 23 23 VAL C C 13 178.514 . . . . . . . 23 V C . 15545 1 218 . 1 1 23 23 VAL CA C 13 66.938 . . . . . . . 23 V CA . 15545 1 219 . 1 1 23 23 VAL CB C 13 31.810 . . . . . . . 23 V CB . 15545 1 220 . 1 1 23 23 VAL CG1 C 13 21.727 . . . . . . . 23 V CG1 . 15545 1 221 . 1 1 23 23 VAL CG2 C 13 20.318 . . . . . . . 23 V CG2 . 15545 1 222 . 1 1 23 23 VAL N N 15 122.810 . . . . . . . 23 V N . 15545 1 223 . 1 1 24 24 PHE H H 1 8.287 . . . . . . . 24 F HN . 15545 1 224 . 1 1 24 24 PHE HA H 1 4.644 . . . . . . . 24 F HA . 15545 1 225 . 1 1 24 24 PHE HB2 H 1 3.358 . . . . . . . 24 F HB1 . 15545 1 226 . 1 1 24 24 PHE HB3 H 1 3.146 . . . . . . . 24 F HB2 . 15545 1 227 . 1 1 24 24 PHE C C 13 176.051 . . . . . . . 24 F C . 15545 1 228 . 1 1 24 24 PHE CA C 13 59.327 . . . . . . . 24 F CA . 15545 1 229 . 1 1 24 24 PHE CB C 13 38.250 . . . . . . . 24 F CB . 15545 1 230 . 1 1 24 24 PHE N N 15 118.273 . . . . . . . 24 F N . 15545 1 231 . 1 1 25 25 ASN H H 1 7.750 . . . . . . . 25 N HN . 15545 1 232 . 1 1 25 25 ASN HA H 1 5.113 . . . . . . . 25 N HA . 15545 1 233 . 1 1 25 25 ASN HB2 H 1 2.918 . . . . . . . 25 N HB1 . 15545 1 234 . 1 1 25 25 ASN HB3 H 1 2.414 . . . . . . . 25 N HB2 . 15545 1 235 . 1 1 25 25 ASN HD21 H 1 6.906 . . . . . . . 25 N HD21 . 15545 1 236 . 1 1 25 25 ASN HD22 H 1 7.382 . . . . . . . 25 N HD22 . 15545 1 237 . 1 1 25 25 ASN C C 13 176.150 . . . . . . . 25 N C . 15545 1 238 . 1 1 25 25 ASN CA C 13 52.302 . . . . . . . 25 N CA . 15545 1 239 . 1 1 25 25 ASN CB C 13 40.007 . . . . . . . 25 N CB . 15545 1 240 . 1 1 25 25 ASN N N 15 117.810 . . . . . . . 25 N N . 15545 1 241 . 1 1 25 25 ASN ND2 N 15 109.923 . . . . . . . 25 N ND2 . 15545 1 242 . 1 1 26 26 PHE H H 1 7.890 . . . . . . . 26 F HN . 15545 1 243 . 1 1 26 26 PHE HA H 1 4.019 . . . . . . . 26 F HA . 15545 1 244 . 1 1 26 26 PHE HB2 H 1 3.259 . . . . . . . 26 F HB1 . 15545 1 245 . 1 1 26 26 PHE HB3 H 1 3.197 . . . . . . . 26 F HB2 . 15545 1 246 . 1 1 26 26 PHE C C 13 176.221 . . . . . . . 26 F C . 15545 1 247 . 1 1 26 26 PHE CA C 13 64.011 . . . . . . . 26 F CA . 15545 1 248 . 1 1 26 26 PHE CB C 13 40.007 . . . . . . . 26 F CB . 15545 1 249 . 1 1 26 26 PHE N N 15 122.746 . . . . . . . 26 F N . 15545 1 250 . 1 1 27 27 THR H H 1 8.618 . . . . . . . 27 T HN . 15545 1 251 . 1 1 27 27 THR HA H 1 4.165 . . . . . . . 27 T HA . 15545 1 252 . 1 1 27 27 THR HB H 1 4.266 . . . . . . . 27 T HB . 15545 1 253 . 1 1 27 27 THR HG21 H 1 1.397 . . . . . . . 27 T HG21 . 15545 1 254 . 1 1 27 27 THR HG22 H 1 1.397 . . . . . . . 27 T HG21 . 15545 1 255 . 1 1 27 27 THR HG23 H 1 1.397 . . . . . . . 27 T HG21 . 15545 1 256 . 1 1 27 27 THR C C 13 176.630 . . . . . . . 27 T C . 15545 1 257 . 1 1 27 27 THR CA C 13 66.353 . . . . . . . 27 T CA . 15545 1 258 . 1 1 27 27 THR CB C 13 68.695 . . . . . . . 27 T CB . 15545 1 259 . 1 1 27 27 THR CG2 C 13 22.298 . . . . . . . 27 T CG2 . 15545 1 260 . 1 1 27 27 THR N N 15 112.829 . . . . . . . 27 T N . 15545 1 261 . 1 1 28 28 ILE H H 1 7.483 . . . . . . . 28 I HN . 15545 1 262 . 1 1 28 28 ILE HA H 1 3.862 . . . . . . . 28 I HA . 15545 1 263 . 1 1 28 28 ILE HB H 1 1.921 . . . . . . . 28 I HB . 15545 1 264 . 1 1 28 28 ILE HD11 H 1 0.994 . . . . . . . 28 I HD11 . 15545 1 265 . 1 1 28 28 ILE HD12 H 1 0.994 . . . . . . . 28 I HD12 . 15545 1 266 . 1 1 28 28 ILE HD13 H 1 0.994 . . . . . . . 28 I HD12 . 15545 1 267 . 1 1 28 28 ILE HG12 H 1 1.587 . . . . . . . 28 I HG11 . 15545 1 268 . 1 1 28 28 ILE HG13 H 1 1.396 . . . . . . . 28 I HG12 . 15545 1 269 . 1 1 28 28 ILE HG21 H 1 0.938 . . . . . . . 28 I HG21 . 15545 1 270 . 1 1 28 28 ILE HG22 H 1 0.938 . . . . . . . 28 I HG22 . 15545 1 271 . 1 1 28 28 ILE HG23 H 1 0.938 . . . . . . . 28 I HG22 . 15545 1 272 . 1 1 28 28 ILE C C 13 178.155 . . . . . . . 28 I C . 15545 1 273 . 1 1 28 28 ILE CA C 13 63.426 . . . . . . . 28 I CA . 15545 1 274 . 1 1 28 28 ILE CB C 13 37.665 . . . . . . . 28 I CB . 15545 1 275 . 1 1 28 28 ILE CD1 C 13 12.973 . . . . . . . 28 I CD1 . 15545 1 276 . 1 1 28 28 ILE CG1 C 13 28.750 . . . . . . . 28 I CG1 . 15545 1 277 . 1 1 28 28 ILE CG2 C 13 17.734 . . . . . . . 28 I CG2 . 15545 1 278 . 1 1 28 28 ILE N N 15 120.022 . . . . . . . 28 I N . 15545 1 279 . 1 1 29 29 HIS H H 1 8.015 . . . . . . . 29 H HN . 15545 1 280 . 1 1 29 29 HIS HA H 1 4.126 . . . . . . . 29 H HA . 15545 1 281 . 1 1 29 29 HIS HB2 H 1 3.227 . . . . . . . 29 H HB1 . 15545 1 282 . 1 1 29 29 HIS C C 13 176.813 . . . . . . . 29 H C . 15545 1 283 . 1 1 29 29 HIS CA C 13 60.498 . . . . . . . 29 H CA . 15545 1 284 . 1 1 29 29 HIS CB C 13 28.297 . . . . . . . 29 H CB . 15545 1 285 . 1 1 29 29 HIS N N 15 119.643 . . . . . . . 29 H N . 15545 1 286 . 1 1 30 30 GLU H H 1 8.490 . . . . . . . 30 E HN . 15545 1 287 . 1 1 30 30 GLU HA H 1 3.672 . . . . . . . 30 E HA . 15545 1 288 . 1 1 30 30 GLU HB2 H 1 1.945 . . . . . . . 30 E HB1 . 15545 1 289 . 1 1 30 30 GLU HG2 H 1 2.275 . . . . . . . 30 E HG1 . 15545 1 290 . 1 1 30 30 GLU HG3 H 1 2.128 . . . . . . . 30 E HG2 . 15545 1 291 . 1 1 30 30 GLU C C 13 177.972 . . . . . . . 30 E C . 15545 1 292 . 1 1 30 30 GLU CA C 13 60.498 . . . . . . . 30 E CA . 15545 1 293 . 1 1 30 30 GLU CB C 13 30.053 . . . . . . . 30 E CB . 15545 1 294 . 1 1 30 30 GLU CG C 13 37.066 . . . . . . . 30 E CG . 15545 1 295 . 1 1 30 30 GLU N N 15 117.362 . . . . . . . 30 E N . 15545 1 296 . 1 1 31 31 ILE H H 1 7.300 . . . . . . . 31 I HN . 15545 1 297 . 1 1 31 31 ILE HA H 1 3.706 . . . . . . . 31 I HA . 15545 1 298 . 1 1 31 31 ILE HB H 1 1.839 . . . . . . . 31 I HB . 15545 1 299 . 1 1 31 31 ILE HD11 H 1 0.757 . . . . . . . 31 I HD11 . 15545 1 300 . 1 1 31 31 ILE HD12 H 1 0.757 . . . . . . . 31 I HD12 . 15545 1 301 . 1 1 31 31 ILE HD13 H 1 0.757 . . . . . . . 31 I HD12 . 15545 1 302 . 1 1 31 31 ILE HG12 H 1 1.472 . . . . . . . 31 I HG11 . 15545 1 303 . 1 1 31 31 ILE HG13 H 1 1.246 . . . . . . . 31 I HG12 . 15545 1 304 . 1 1 31 31 ILE HG21 H 1 0.842 . . . . . . . 31 I HG21 . 15545 1 305 . 1 1 31 31 ILE HG22 H 1 0.842 . . . . . . . 31 I HG21 . 15545 1 306 . 1 1 31 31 ILE HG23 H 1 0.842 . . . . . . . 31 I HG21 . 15545 1 307 . 1 1 31 31 ILE C C 13 178.067 . . . . . . . 31 I C . 15545 1 308 . 1 1 31 31 ILE CA C 13 64.011 . . . . . . . 31 I CA . 15545 1 309 . 1 1 31 31 ILE CB C 13 38.250 . . . . . . . 31 I CB . 15545 1 310 . 1 1 31 31 ILE CD1 C 13 13.383 . . . . . . . 31 I CD1 . 15545 1 311 . 1 1 31 31 ILE CG1 C 13 28.644 . . . . . . . 31 I CG1 . 15545 1 312 . 1 1 31 31 ILE CG2 C 13 16.715 . . . . . . . 31 I CG2 . 15545 1 313 . 1 1 31 31 ILE N N 15 117.000 . . . . . . . 31 I N . 15545 1 314 . 1 1 32 32 HIS H H 1 7.036 . . . . . . . 32 H HN . 15545 1 315 . 1 1 32 32 HIS HA H 1 4.331 . . . . . . . 32 H HA . 15545 1 316 . 1 1 32 32 HIS HB2 H 1 3.075 . . . . . . . 32 H HB1 . 15545 1 317 . 1 1 32 32 HIS C C 13 176.874 . . . . . . . 32 H C . 15545 1 318 . 1 1 32 32 HIS CA C 13 58.742 . . . . . . . 32 H CA . 15545 1 319 . 1 1 32 32 HIS CB C 13 31.224 . . . . . . . 32 H CB . 15545 1 320 . 1 1 32 32 HIS N N 15 117.915 . . . . . . . 32 H N . 15545 1 321 . 1 1 33 33 CYS H H 1 8.901 . . . . . . . 33 C HN . 15545 1 322 . 1 1 33 33 CYS HA H 1 3.761 . . . . . . . 33 C HA . 15545 1 323 . 1 1 33 33 CYS HB2 H 1 2.644 . . . . . . . 33 C HB1 . 15545 1 324 . 1 1 33 33 CYS HB3 H 1 1.954 . . . . . . . 33 C HB2 . 15545 1 325 . 1 1 33 33 CYS C C 13 177.698 . . . . . . . 33 C C . 15545 1 326 . 1 1 33 33 CYS CA C 13 63.426 . . . . . . . 33 C CA . 15545 1 327 . 1 1 33 33 CYS CB C 13 28.883 . . . . . . . 33 C CB . 15545 1 328 . 1 1 33 33 CYS N N 15 124.206 . . . . . . . 33 C N . 15545 1 329 . 1 1 34 34 GLN H H 1 8.037 . . . . . . . 34 Q HN . 15545 1 330 . 1 1 34 34 GLN HA H 1 4.019 . . . . . . . 34 Q HA . 15545 1 331 . 1 1 34 34 GLN HB2 H 1 2.144 . . . . . . . 34 Q HB1 . 15545 1 332 . 1 1 34 34 GLN HE21 H 1 6.843 . . . . . . . 34 Q HE21 . 15545 1 333 . 1 1 34 34 GLN HE22 H 1 7.557 . . . . . . . 34 Q HE22 . 15545 1 334 . 1 1 34 34 GLN CA C 13 58.156 . . . . . . . 34 Q CA . 15545 1 335 . 1 1 34 34 GLN CB C 13 28.297 . . . . . . . 34 Q CB . 15545 1 336 . 1 1 34 34 GLN CG C 13 34.299 . . . . . . . 34 Q CG . 15545 1 337 . 1 1 34 34 GLN N N 15 114.814 . . . . . . . 34 Q N . 15545 1 338 . 1 1 34 34 GLN NE2 N 15 111.348 . . . . . . . 34 Q NE2 . 15545 1 339 . 1 1 35 35 ARG H H 1 7.337 . . . . . . . 35 R HN . 15545 1 340 . 1 1 35 35 ARG HA H 1 4.331 . . . . . . . 35 R HA . 15545 1 341 . 1 1 35 35 ARG HB2 H 1 1.912 . . . . . . . 35 R HB1 . 15545 1 342 . 1 1 35 35 ARG C C 13 177.183 . . . . . . . 35 R C . 15545 1 343 . 1 1 35 35 ARG CA C 13 57.571 . . . . . . . 35 R CA . 15545 1 344 . 1 1 35 35 ARG CB C 13 30.639 . . . . . . . 35 R CB . 15545 1 345 . 1 1 35 35 ARG CD C 13 43.627 . . . . . . . 35 R CD . 15545 1 346 . 1 1 35 35 ARG CG C 13 27.571 . . . . . . . 35 R CG . 15545 1 347 . 1 1 35 35 ARG N N 15 115.888 . . . . . . . 35 R N . 15545 1 348 . 1 1 36 36 ASN H H 1 7.949 . . . . . . . 36 N HN . 15545 1 349 . 1 1 36 36 ASN HA H 1 4.175 . . . . . . . 36 N HA . 15545 1 350 . 1 1 36 36 ASN HB2 H 1 2.858 . . . . . . . 36 N HB1 . 15545 1 351 . 1 1 36 36 ASN HB3 H 1 2.733 . . . . . . . 36 N HB2 . 15545 1 352 . 1 1 36 36 ASN HD21 H 1 7.072 . . . . . . . 36 N HD21 . 15545 1 353 . 1 1 36 36 ASN HD22 H 1 7.496 . . . . . . . 36 N HD22 . 15545 1 354 . 1 1 36 36 ASN C C 13 175.183 . . . . . . . 36 N C . 15545 1 355 . 1 1 36 36 ASN CA C 13 54.643 . . . . . . . 36 N CA . 15545 1 356 . 1 1 36 36 ASN CB C 13 40.592 . . . . . . . 36 N CB . 15545 1 357 . 1 1 36 36 ASN N N 15 115.456 . . . . . . . 36 N N . 15545 1 358 . 1 1 36 36 ASN ND2 N 15 113.863 . . . . . . . 36 N ND2 . 15545 1 359 . 1 1 37 37 ILE H H 1 8.682 . . . . . . . 37 I HN . 15545 1 360 . 1 1 37 37 ILE HA H 1 4.487 . . . . . . . 37 I HA . 15545 1 361 . 1 1 37 37 ILE HB H 1 2.127 . . . . . . . 37 I HB . 15545 1 362 . 1 1 37 37 ILE HD11 H 1 0.772 . . . . . . . 37 I HD11 . 15545 1 363 . 1 1 37 37 ILE HD12 H 1 0.772 . . . . . . . 37 I HD11 . 15545 1 364 . 1 1 37 37 ILE HD13 H 1 0.772 . . . . . . . 37 I HD11 . 15545 1 365 . 1 1 37 37 ILE HG12 H 1 1.505 . . . . . . . 37 I HG11 . 15545 1 366 . 1 1 37 37 ILE HG13 H 1 1.287 . . . . . . . 37 I HG12 . 15545 1 367 . 1 1 37 37 ILE HG21 H 1 0.700 . . . . . . . 37 I HG21 . 15545 1 368 . 1 1 37 37 ILE HG22 H 1 0.700 . . . . . . . 37 I HG21 . 15545 1 369 . 1 1 37 37 ILE HG23 H 1 0.700 . . . . . . . 37 I HG21 . 15545 1 370 . 1 1 37 37 ILE C C 13 175.418 . . . . . . . 37 I C . 15545 1 371 . 1 1 37 37 ILE CA C 13 59.913 . . . . . . . 37 I CA . 15545 1 372 . 1 1 37 37 ILE CB C 13 38.112 . . . . . . . 37 I CB . 15545 1 373 . 1 1 37 37 ILE CD1 C 13 11.027 . . . . . . . 37 I CD1 . 15545 1 374 . 1 1 37 37 ILE CG1 C 13 27.776 . . . . . . . 37 I CG1 . 15545 1 375 . 1 1 37 37 ILE CG2 C 13 18.253 . . . . . . . 37 I CG2 . 15545 1 376 . 1 1 37 37 ILE N N 15 123.913 . . . . . . . 37 I N . 15545 1 377 . 1 1 38 38 GLY H H 1 8.886 . . . . . . . 38 G HN . 15545 1 378 . 1 1 38 38 GLY HA2 H 1 4.800 . . . . . . . 38 G HA1 . 15545 1 379 . 1 1 38 38 GLY HA3 H 1 3.676 . . . . . . . 38 G HA2 . 15545 1 380 . 1 1 38 38 GLY C C 13 171.138 . . . . . . . 38 G C . 15545 1 381 . 1 1 38 38 GLY CA C 13 43.519 . . . . . . . 38 G CA . 15545 1 382 . 1 1 38 38 GLY N N 15 114.157 . . . . . . . 38 G N . 15545 1 383 . 1 1 39 39 MET H H 1 8.380 . . . . . . . 39 M HN . 15545 1 384 . 1 1 39 39 MET HA H 1 4.800 . . . . . . . 39 M HA . 15545 1 385 . 1 1 39 39 MET HB2 H 1 2.291 . . . . . . . 39 M HB1 . 15545 1 386 . 1 1 39 39 MET C C 13 177.946 . . . . . . . 39 M C . 15545 1 387 . 1 1 39 39 MET CA C 13 58.156 . . . . . . . 39 M CA . 15545 1 388 . 1 1 39 39 MET CB C 13 31.810 . . . . . . . 39 M CB . 15545 1 389 . 1 1 39 39 MET CG C 13 32.135 . . . . . . . 39 M CG . 15545 1 390 . 1 1 39 39 MET N N 15 118.087 . . . . . . . 39 M N . 15545 1 391 . 1 1 40 40 CYS H H 1 8.895 . . . . . . . 40 C HN . 15545 1 392 . 1 1 40 40 CYS HA H 1 4.097 . . . . . . . 40 C HA . 15545 1 393 . 1 1 40 40 CYS CA C 13 60.499 . . . . . . . 40 C CA . 15545 1 394 . 1 1 40 40 CYS CB C 13 28.884 . . . . . . . 40 C CB . 15545 1 395 . 1 1 40 40 CYS N N 15 118.843 . . . . . . . 40 C N . 15545 1 396 . 1 1 41 41 PRO HA H 1 3.906 . . . . . . . 41 P HA . 15545 1 397 . 1 1 41 41 PRO HB2 H 1 2.694 . . . . . . . 41 P HB1 . 15545 1 398 . 1 1 41 41 PRO HG3 H 1 2.170 . . . . . . . 41 P HG2 . 15545 1 399 . 1 1 41 41 PRO CB C 13 31.602 . . . . . . . 41 P CB . 15545 1 400 . 1 1 42 42 THR HB H 1 4.115 . . . . . . . 42 T HB . 15545 1 401 . 1 1 42 42 THR CB C 13 68.655 . . . . . . . 42 T CB . 15545 1 402 . 1 1 43 43 CYS HA H 1 4.280 . . . . . . . 43 C HA . 15545 1 403 . 1 1 43 43 CYS HB2 H 1 3.092 . . . . . . . 43 C HB1 . 15545 1 404 . 1 1 43 43 CYS HB3 H 1 2.332 . . . . . . . 43 C HB2 . 15545 1 405 . 1 1 43 43 CYS C C 13 178.561 . . . . . . . 43 C C . 15545 1 406 . 1 1 43 43 CYS CA C 13 63.426 . . . . . . . 43 C CA . 15545 1 407 . 1 1 43 43 CYS CB C 13 30.053 . . . . . . . 43 C CB . 15545 1 408 . 1 1 44 44 LYS H H 1 8.349 . . . . . . . 44 K HN . 15545 1 409 . 1 1 44 44 LYS CA C 13 56.960 . . . . . . . 44 K CA . 15545 1 410 . 1 1 44 44 LYS CB C 13 30.077 . . . . . . . 44 K CB . 15545 1 411 . 1 1 44 44 LYS N N 15 129.675 . . . . . . . 44 K N . 15545 1 412 . 1 1 46 46 PRO HA H 1 5.220 . . . . . . . 46 P HA . 15545 1 413 . 1 1 46 46 PRO HB2 H 1 2.008 . . . . . . . 46 P HB1 . 15545 1 414 . 1 1 46 46 PRO HB3 H 1 1.642 . . . . . . . 46 P HB2 . 15545 1 415 . 1 1 46 46 PRO C C 13 176.881 . . . . . . . 46 P C . 15545 1 416 . 1 1 46 46 PRO CA C 13 61.669 . . . . . . . 46 P CA . 15545 1 417 . 1 1 46 46 PRO CB C 13 32.395 . . . . . . . 46 P CB . 15545 1 418 . 1 1 46 46 PRO CD C 13 50.706 . . . . . . . 46 P CD . 15545 1 419 . 1 1 46 46 PRO CG C 13 27.102 . . . . . . . 46 P CG . 15545 1 420 . 1 1 47 47 PHE H H 1 8.899 . . . . . . . 47 F HN . 15545 1 421 . 1 1 47 47 PHE HA H 1 4.800 . . . . . . . 47 F HA . 15545 1 422 . 1 1 47 47 PHE CA C 13 56.401 . . . . . . . 47 F CA . 15545 1 423 . 1 1 47 47 PHE CB C 13 42.349 . . . . . . . 47 F CB . 15545 1 424 . 1 1 47 47 PHE N N 15 119.664 . . . . . . . 47 F N . 15545 1 425 . 1 1 48 48 PRO HA H 1 4.825 . . . . . . . 48 P HA . 15545 1 426 . 1 1 48 48 PRO HB2 H 1 2.525 . . . . . . . 48 P HB1 . 15545 1 427 . 1 1 48 48 PRO HB3 H 1 1.981 . . . . . . . 48 P HB2 . 15545 1 428 . 1 1 48 48 PRO C C 13 179.001 . . . . . . . 48 P C . 15545 1 429 . 1 1 48 48 PRO CA C 13 62.840 . . . . . . . 48 P CA . 15545 1 430 . 1 1 48 48 PRO CB C 13 31.810 . . . . . . . 48 P CB . 15545 1 431 . 1 1 48 48 PRO CD C 13 50.561 . . . . . . . 48 P CD . 15545 1 432 . 1 1 48 48 PRO CG C 13 28.662 . . . . . . . 48 P CG . 15545 1 433 . 1 1 49 49 LYS H H 1 8.899 . . . . . . . 49 K HN . 15545 1 434 . 1 1 49 49 LYS CA C 13 60.886 . . . . . . . 49 K CA . 15545 1 435 . 1 1 49 49 LYS CB C 13 32.396 . . . . . . . 49 K CB . 15545 1 436 . 1 1 49 49 LYS N N 15 126.368 . . . . . . . 49 K N . 15545 1 437 . 1 1 50 50 SER HA H 1 4.346 . . . . . . . 50 S HA . 15545 1 438 . 1 1 50 50 SER HB2 H 1 4.115 . . . . . . . 50 S HB1 . 15545 1 439 . 1 1 50 50 SER HB3 H 1 3.957 . . . . . . . 50 S HB2 . 15545 1 440 . 1 1 50 50 SER C C 13 175.027 . . . . . . . 50 S C . 15545 1 441 . 1 1 50 50 SER CA C 13 60.498 . . . . . . . 50 S CA . 15545 1 442 . 1 1 50 50 SER CB C 13 62.840 . . . . . . . 50 S CB . 15545 1 443 . 1 1 51 51 ASP H H 1 7.916 . . . . . . . 51 D HN . 15545 1 444 . 1 1 51 51 ASP HA H 1 5.113 . . . . . . . 51 D HA . 15545 1 445 . 1 1 51 51 ASP HB2 H 1 3.161 . . . . . . . 51 D HB1 . 15545 1 446 . 1 1 51 51 ASP HB3 H 1 2.694 . . . . . . . 51 D HB2 . 15545 1 447 . 1 1 51 51 ASP C C 13 177.323 . . . . . . . 51 D C . 15545 1 448 . 1 1 51 51 ASP CA C 13 54.242 . . . . . . . 51 D CA . 15545 1 449 . 1 1 51 51 ASP CB C 13 42.356 . . . . . . . 51 D CB . 15545 1 450 . 1 1 51 51 ASP N N 15 120.866 . . . . . . . 51 D N . 15545 1 451 . 1 1 52 52 MET H H 1 7.600 . . . . . . . 52 M HN . 15545 1 452 . 1 1 52 52 MET HA H 1 4.086 . . . . . . . 52 M HA . 15545 1 453 . 1 1 52 52 MET HB2 H 1 1.941 . . . . . . . 52 M HB1 . 15545 1 454 . 1 1 52 52 MET HG2 H 1 2.555 . . . . . . . 52 M HG1 . 15545 1 455 . 1 1 52 52 MET C C 13 178.729 . . . . . . . 52 M C . 15545 1 456 . 1 1 52 52 MET CA C 13 59.913 . . . . . . . 52 M CA . 15545 1 457 . 1 1 52 52 MET CB C 13 31.224 . . . . . . . 52 M CB . 15545 1 458 . 1 1 52 52 MET CE C 13 24.876 . . . . . . . 52 M CE . 15545 1 459 . 1 1 52 52 MET CG C 13 31.557 . . . . . . . 52 M CG . 15545 1 460 . 1 1 52 52 MET N N 15 122.341 . . . . . . . 52 M N . 15545 1 461 . 1 1 53 53 GLU H H 1 8.381 . . . . . . . 53 E HN . 15545 1 462 . 1 1 53 53 GLU HA H 1 4.303 . . . . . . . 53 E HA . 15545 1 463 . 1 1 53 53 GLU HB2 H 1 2.150 . . . . . . . 53 E HB1 . 15545 1 464 . 1 1 53 53 GLU HG2 H 1 2.436 . . . . . . . 53 E HG1 . 15545 1 465 . 1 1 53 53 GLU HG3 H 1 2.360 . . . . . . . 53 E HG2 . 15545 1 466 . 1 1 53 53 GLU C C 13 179.826 . . . . . . . 53 E C . 15545 1 467 . 1 1 53 53 GLU CA C 13 60.498 . . . . . . . 53 E CA . 15545 1 468 . 1 1 53 53 GLU CB C 13 28.883 . . . . . . . 53 E CB . 15545 1 469 . 1 1 53 53 GLU CG C 13 36.806 . . . . . . . 53 E CG . 15545 1 470 . 1 1 53 53 GLU N N 15 118.803 . . . . . . . 53 E N . 15545 1 471 . 1 1 54 54 THR H H 1 8.110 . . . . . . . 54 T HN . 15545 1 472 . 1 1 54 54 THR HA H 1 4.020 . . . . . . . 54 T HA . 15545 1 473 . 1 1 54 54 THR HB H 1 4.196 . . . . . . . 54 T HB . 15545 1 474 . 1 1 54 54 THR HG21 H 1 1.366 . . . . . . . 54 T HG1 . 15545 1 475 . 1 1 54 54 THR HG22 H 1 1.366 . . . . . . . 54 T HG1 . 15545 1 476 . 1 1 54 54 THR HG23 H 1 1.366 . . . . . . . 54 T HG1 . 15545 1 477 . 1 1 54 54 THR C C 13 176.596 . . . . . . . 54 T C . 15545 1 478 . 1 1 54 54 THR CA C 13 65.768 . . . . . . . 54 T CA . 15545 1 479 . 1 1 54 54 THR CB C 13 68.109 . . . . . . . 54 T CB . 15545 1 480 . 1 1 54 54 THR CG2 C 13 22.301 . . . . . . . 54 T CG2 . 15545 1 481 . 1 1 54 54 THR N N 15 116.841 . . . . . . . 54 T N . 15545 1 482 . 1 1 55 55 HIS H H 1 8.192 . . . . . . . 55 H HN . 15545 1 483 . 1 1 55 55 HIS HA H 1 4.212 . . . . . . . 55 H HA . 15545 1 484 . 1 1 55 55 HIS HB2 H 1 3.415 . . . . . . . 55 H HB1 . 15545 1 485 . 1 1 55 55 HIS HB3 H 1 2.607 . . . . . . . 55 H HB2 . 15545 1 486 . 1 1 55 55 HIS C C 13 176.741 . . . . . . . 55 H C . 15545 1 487 . 1 1 55 55 HIS CA C 13 59.913 . . . . . . . 55 H CA . 15545 1 488 . 1 1 55 55 HIS CB C 13 27.126 . . . . . . . 55 H CB . 15545 1 489 . 1 1 55 55 HIS N N 15 121.890 . . . . . . . 55 H N . 15545 1 490 . 1 1 56 56 MET H H 1 8.570 . . . . . . . 56 M HN . 15545 1 491 . 1 1 56 56 MET HA H 1 3.873 . . . . . . . 56 M HA . 15545 1 492 . 1 1 56 56 MET HB2 H 1 2.263 . . . . . . . 56 M HB1 . 15545 1 493 . 1 1 56 56 MET C C 13 179.332 . . . . . . . 56 M C . 15545 1 494 . 1 1 56 56 MET CA C 13 59.141 . . . . . . . 56 M CA . 15545 1 495 . 1 1 56 56 MET CB C 13 31.672 . . . . . . . 56 M CB . 15545 1 496 . 1 1 56 56 MET CG C 13 32.277 . . . . . . . 56 M CG . 15545 1 497 . 1 1 56 56 MET N N 15 116.995 . . . . . . . 56 M N . 15545 1 498 . 1 1 57 57 ALA H H 1 7.862 . . . . . . . 57 A HN . 15545 1 499 . 1 1 57 57 ALA HA H 1 4.175 . . . . . . . 57 A HA . 15545 1 500 . 1 1 57 57 ALA HB1 H 1 1.518 . . . . . . . 57 A HB1 . 15545 1 501 . 1 1 57 57 ALA HB2 H 1 1.518 . . . . . . . 57 A HB1 . 15545 1 502 . 1 1 57 57 ALA HB3 H 1 1.518 . . . . . . . 57 A HB1 . 15545 1 503 . 1 1 57 57 ALA C C 13 178.460 . . . . . . . 57 A C . 15545 1 504 . 1 1 57 57 ALA CA C 13 54.643 . . . . . . . 57 A CA . 15545 1 505 . 1 1 57 57 ALA CB C 13 18.344 . . . . . . . 57 A CB . 15545 1 506 . 1 1 57 57 ALA N N 15 120.362 . . . . . . . 57 A N . 15545 1 507 . 1 1 58 58 ALA H H 1 7.910 . . . . . . . 58 A HN . 15545 1 508 . 1 1 58 58 ALA HA H 1 4.331 . . . . . . . 58 A HA . 15545 1 509 . 1 1 58 58 ALA HB1 H 1 1.489 . . . . . . . 58 A HB1 . 15545 1 510 . 1 1 58 58 ALA HB2 H 1 1.489 . . . . . . . 58 A HB1 . 15545 1 511 . 1 1 58 58 ALA HB3 H 1 1.489 . . . . . . . 58 A HB1 . 15545 1 512 . 1 1 58 58 ALA C C 13 179.503 . . . . . . . 58 A C . 15545 1 513 . 1 1 58 58 ALA CA C 13 54.058 . . . . . . . 58 A CA . 15545 1 514 . 1 1 58 58 ALA CB C 13 19.515 . . . . . . . 58 A CB . 15545 1 515 . 1 1 58 58 ALA N N 15 117.995 . . . . . . . 58 A N . 15545 1 516 . 1 1 59 59 GLU H H 1 7.843 . . . . . . . 59 E HN . 15545 1 517 . 1 1 59 59 GLU HA H 1 4.419 . . . . . . . 59 E HA . 15545 1 518 . 1 1 59 59 GLU HB2 H 1 1.419 . . . . . . . 59 E HB1 . 15545 1 519 . 1 1 59 59 GLU C C 13 177.526 . . . . . . . 59 E C . 15545 1 520 . 1 1 59 59 GLU CA C 13 56.367 . . . . . . . 59 E CA . 15545 1 521 . 1 1 59 59 GLU CB C 13 30.166 . . . . . . . 59 E CB . 15545 1 522 . 1 1 59 59 GLU CG C 13 36.048 . . . . . . . 59 E CG . 15545 1 523 . 1 1 59 59 GLU N N 15 111.276 . . . . . . . 59 E N . 15545 1 524 . 1 1 60 60 HIS H H 1 7.349 . . . . . . . 60 H HN . 15545 1 525 . 1 1 60 60 HIS HA H 1 5.366 . . . . . . . 60 H HA . 15545 1 526 . 1 1 60 60 HIS HB2 H 1 3.316 . . . . . . . 60 H HB1 . 15545 1 527 . 1 1 60 60 HIS C C 13 174.323 . . . . . . . 60 H C . 15545 1 528 . 1 1 60 60 HIS CA C 13 54.074 . . . . . . . 60 H CA . 15545 1 529 . 1 1 60 60 HIS CB C 13 28.995 . . . . . . . 60 H CB . 15545 1 530 . 1 1 60 60 HIS N N 15 113.720 . . . . . . . 60 H N . 15545 1 531 . 1 1 61 61 CYS H H 1 7.252 . . . . . . . 61 C HN . 15545 1 532 . 1 1 61 61 CYS HA H 1 4.556 . . . . . . . 61 C HA . 15545 1 533 . 1 1 61 61 CYS HB2 H 1 3.126 . . . . . . . 61 C HB1 . 15545 1 534 . 1 1 61 61 CYS C C 13 173.530 . . . . . . . 61 C C . 15545 1 535 . 1 1 61 61 CYS CA C 13 57.452 . . . . . . . 61 C CA . 15545 1 536 . 1 1 61 61 CYS CB C 13 28.273 . . . . . . . 61 C CB . 15545 1 537 . 1 1 61 61 CYS N N 15 117.473 . . . . . . . 61 C N . 15545 1 538 . 1 1 62 62 GLN H H 1 8.682 . . . . . . . 62 Q HN . 15545 1 539 . 1 1 62 62 GLN HA H 1 4.668 . . . . . . . 62 Q HA . 15545 1 540 . 1 1 62 62 GLN HB2 H 1 1.957 . . . . . . . 62 Q HB1 . 15545 1 541 . 1 1 62 62 GLN HE21 H 1 6.755 . . . . . . . 62 Q HE21 . 15545 1 542 . 1 1 62 62 GLN HE22 H 1 7.582 . . . . . . . 62 Q HE22 . 15545 1 543 . 1 1 62 62 GLN C C 13 175.916 . . . . . . . 62 Q C . 15545 1 544 . 1 1 62 62 GLN CA C 13 55.814 . . . . . . . 62 Q CA . 15545 1 545 . 1 1 62 62 GLN CB C 13 30.639 . . . . . . . 62 Q CB . 15545 1 546 . 1 1 62 62 GLN CG C 13 34.598 . . . . . . . 62 Q CG . 15545 1 547 . 1 1 62 62 GLN N N 15 122.899 . . . . . . . 62 Q N . 15545 1 548 . 1 1 62 62 GLN NE2 N 15 111.725 . . . . . . . 62 Q NE2 . 15545 1 549 . 1 1 63 63 VAL H H 1 9.270 . . . . . . . 63 V HN . 15545 1 550 . 1 1 63 63 VAL HA H 1 4.644 . . . . . . . 63 V HA . 15545 1 551 . 1 1 63 63 VAL HB H 1 2.207 . . . . . . . 63 V HB . 15545 1 552 . 1 1 63 63 VAL HG11 H 1 0.953 . . . . . . . 63 V HG11 . 15545 1 553 . 1 1 63 63 VAL HG12 H 1 0.953 . . . . . . . 63 V HG11 . 15545 1 554 . 1 1 63 63 VAL HG13 H 1 0.953 . . . . . . . 63 V HG11 . 15545 1 555 . 1 1 63 63 VAL HG21 H 1 0.865 . . . . . . . 63 V HG21 . 15545 1 556 . 1 1 63 63 VAL HG22 H 1 0.865 . . . . . . . 63 V HG21 . 15545 1 557 . 1 1 63 63 VAL HG23 H 1 0.865 . . . . . . . 63 V HG21 . 15545 1 558 . 1 1 63 63 VAL C C 13 173.696 . . . . . . . 63 V C . 15545 1 559 . 1 1 63 63 VAL CA C 13 59.327 . . . . . . . 63 V CA . 15545 1 560 . 1 1 63 63 VAL CB C 13 34.737 . . . . . . . 63 V CB . 15545 1 561 . 1 1 63 63 VAL CG1 C 13 22.161 . . . . . . . 63 V CG1 . 15545 1 562 . 1 1 63 63 VAL CG2 C 13 19.555 . . . . . . . 63 V CG2 . 15545 1 563 . 1 1 63 63 VAL N N 15 120.506 . . . . . . . 63 V N . 15545 1 564 . 1 1 64 64 THR H H 1 8.354 . . . . . . . 64 T HN . 15545 1 565 . 1 1 64 64 THR HA H 1 4.956 . . . . . . . 64 T HA . 15545 1 566 . 1 1 64 64 THR HB H 1 3.946 . . . . . . . 64 T HB . 15545 1 567 . 1 1 64 64 THR HG21 H 1 1.211 . . . . . . . 64 T HG21 . 15545 1 568 . 1 1 64 64 THR HG22 H 1 1.211 . . . . . . . 64 T HG21 . 15545 1 569 . 1 1 64 64 THR HG23 H 1 1.211 . . . . . . . 64 T HG21 . 15545 1 570 . 1 1 64 64 THR C C 13 174.838 . . . . . . . 64 T C . 15545 1 571 . 1 1 64 64 THR CA C 13 61.161 . . . . . . . 64 T CA . 15545 1 572 . 1 1 64 64 THR CB C 13 69.866 . . . . . . . 64 T CB . 15545 1 573 . 1 1 64 64 THR CG2 C 13 21.667 . . . . . . . 64 T CG2 . 15545 1 574 . 1 1 64 64 THR N N 15 117.051 . . . . . . . 64 T N . 15545 1 575 . 1 1 65 65 CYS H H 1 8.966 . . . . . . . 65 C HN . 15545 1 576 . 1 1 65 65 CYS HA H 1 4.214 . . . . . . . 65 C HA . 15545 1 577 . 1 1 65 65 CYS HB2 H 1 3.013 . . . . . . . 65 C HB1 . 15545 1 578 . 1 1 65 65 CYS HB3 H 1 2.759 . . . . . . . 65 C HB2 . 15545 1 579 . 1 1 65 65 CYS C C 13 176.336 . . . . . . . 65 C C . 15545 1 580 . 1 1 65 65 CYS CA C 13 59.327 . . . . . . . 65 C CA . 15545 1 581 . 1 1 65 65 CYS CB C 13 30.053 . . . . . . . 65 C CB . 15545 1 582 . 1 1 65 65 CYS N N 15 129.401 . . . . . . . 65 C N . 15545 1 583 . 1 1 66 66 LYS H H 1 8.599 . . . . . . . 66 K HN . 15545 1 584 . 1 1 66 66 LYS HA H 1 4.291 . . . . . . . 66 K HA . 15545 1 585 . 1 1 66 66 LYS HB2 H 1 1.959 . . . . . . . 66 K HB1 . 15545 1 586 . 1 1 66 66 LYS C C 13 177.105 . . . . . . . 66 K C . 15545 1 587 . 1 1 66 66 LYS CA C 13 59.327 . . . . . . . 66 K CA . 15545 1 588 . 1 1 66 66 LYS CB C 13 32.395 . . . . . . . 66 K CB . 15545 1 589 . 1 1 66 66 LYS CD C 13 29.309 . . . . . . . 66 K CD . 15545 1 590 . 1 1 66 66 LYS CE C 13 41.968 . . . . . . . 66 K CE . 15545 1 591 . 1 1 66 66 LYS CG C 13 25.261 . . . . . . . 66 K CG . 15545 1 592 . 1 1 66 66 LYS N N 15 132.682 . . . . . . . 66 K N . 15545 1 593 . 1 1 67 67 CYS H H 1 7.983 . . . . . . . 67 C HN . 15545 1 594 . 1 1 67 67 CYS HA H 1 4.644 . . . . . . . 67 C HA . 15545 1 595 . 1 1 67 67 CYS HB2 H 1 3.361 . . . . . . . 67 C HB1 . 15545 1 596 . 1 1 67 67 CYS HB3 H 1 3.139 . . . . . . . 67 C HB2 . 15545 1 597 . 1 1 67 67 CYS C C 13 175.383 . . . . . . . 67 C C . 15545 1 598 . 1 1 67 67 CYS CA C 13 59.327 . . . . . . . 67 C CA . 15545 1 599 . 1 1 67 67 CYS CB C 13 30.639 . . . . . . . 67 C CB . 15545 1 600 . 1 1 67 67 CYS N N 15 117.463 . . . . . . . 67 C N . 15545 1 601 . 1 1 68 68 ASN H H 1 8.258 . . . . . . . 68 N HN . 15545 1 602 . 1 1 68 68 ASN HA H 1 4.175 . . . . . . . 68 N HA . 15545 1 603 . 1 1 68 68 ASN HB2 H 1 3.309 . . . . . . . 68 N HB1 . 15545 1 604 . 1 1 68 68 ASN HB3 H 1 3.067 . . . . . . . 68 N HB2 . 15545 1 605 . 1 1 68 68 ASN C C 13 174.066 . . . . . . . 68 N C . 15545 1 606 . 1 1 68 68 ASN CA C 13 55.814 . . . . . . . 68 N CA . 15545 1 607 . 1 1 68 68 ASN CB C 13 37.079 . . . . . . . 68 N CB . 15545 1 608 . 1 1 68 68 ASN N N 15 115.388 . . . . . . . 68 N N . 15545 1 609 . 1 1 69 69 LYS H H 1 8.129 . . . . . . . 69 K HN . 15545 1 610 . 1 1 69 69 LYS HA H 1 4.175 . . . . . . . 69 K HA . 15545 1 611 . 1 1 69 69 LYS HB2 H 1 1.844 . . . . . . . 69 K HB1 . 15545 1 612 . 1 1 69 69 LYS C C 13 174.142 . . . . . . . 69 K C . 15545 1 613 . 1 1 69 69 LYS CA C 13 57.571 . . . . . . . 69 K CA . 15545 1 614 . 1 1 69 69 LYS CB C 13 34.128 . . . . . . . 69 K CB . 15545 1 615 . 1 1 69 69 LYS CD C 13 25.522 . . . . . . . 69 K CD . 15545 1 616 . 1 1 69 69 LYS CE C 13 42.193 . . . . . . . 69 K CE . 15545 1 617 . 1 1 69 69 LYS N N 15 123.746 . . . . . . . 69 K N . 15545 1 618 . 1 1 70 70 LYS H H 1 8.355 . . . . . . . 70 K HN . 15545 1 619 . 1 1 70 70 LYS HA H 1 5.210 . . . . . . . 70 K HA . 15545 1 620 . 1 1 70 70 LYS HB2 H 1 1.684 . . . . . . . 70 K HB1 . 15545 1 621 . 1 1 70 70 LYS HB3 H 1 1.629 . . . . . . . 70 K HB2 . 15545 1 622 . 1 1 70 70 LYS HD2 H 1 2.295 . . . . . . . 70 K HD1 . 15545 1 623 . 1 1 70 70 LYS HE2 H 1 2.964 . . . . . . . 70 K HE1 . 15545 1 624 . 1 1 70 70 LYS HG2 H 1 1.528 . . . . . . . 70 K HG1 . 15545 1 625 . 1 1 70 70 LYS C C 13 176.041 . . . . . . . 70 K C . 15545 1 626 . 1 1 70 70 LYS CA C 13 55.229 . . . . . . . 70 K CA . 15545 1 627 . 1 1 70 70 LYS CB C 13 33.566 . . . . . . . 70 K CB . 15545 1 628 . 1 1 70 70 LYS CD C 13 29.345 . . . . . . . 70 K CD . 15545 1 629 . 1 1 70 70 LYS CE C 13 42.120 . . . . . . . 70 K CE . 15545 1 630 . 1 1 70 70 LYS CG C 13 25.171 . . . . . . . 70 K CG . 15545 1 631 . 1 1 70 70 LYS N N 15 126.804 . . . . . . . 70 K N . 15545 1 632 . 1 1 71 71 LEU H H 1 9.001 . . . . . . . 71 L HN . 15545 1 633 . 1 1 71 71 LEU HA H 1 4.800 . . . . . . . 71 L HA . 15545 1 634 . 1 1 71 71 LEU HB2 H 1 1.751 . . . . . . . 71 L HB1 . 15545 1 635 . 1 1 71 71 LEU HB3 H 1 1.538 . . . . . . . 71 L HB2 . 15545 1 636 . 1 1 71 71 LEU HD11 H 1 0.619 . . . . . . . 71 L HD11 . 15545 1 637 . 1 1 71 71 LEU HD12 H 1 0.619 . . . . . . . 71 L HD11 . 15545 1 638 . 1 1 71 71 LEU HD13 H 1 0.619 . . . . . . . 71 L HD11 . 15545 1 639 . 1 1 71 71 LEU HD21 H 1 0.795 . . . . . . . 71 L HD21 . 15545 1 640 . 1 1 71 71 LEU HD22 H 1 0.795 . . . . . . . 71 L HD21 . 15545 1 641 . 1 1 71 71 LEU HD23 H 1 0.795 . . . . . . . 71 L HD21 . 15545 1 642 . 1 1 71 71 LEU HG H 1 1.273 . . . . . . . 71 L HG . 15545 1 643 . 1 1 71 71 LEU C C 13 175.193 . . . . . . . 71 L C . 15545 1 644 . 1 1 71 71 LEU CA C 13 54.058 . . . . . . . 71 L CA . 15545 1 645 . 1 1 71 71 LEU CB C 13 44.690 . . . . . . . 71 L CB . 15545 1 646 . 1 1 71 71 LEU CD1 C 13 25.473 . . . . . . . 71 L CD1 . 15545 1 647 . 1 1 71 71 LEU CG C 13 26.710 . . . . . . . 71 L CG . 15545 1 648 . 1 1 71 71 LEU N N 15 124.092 . . . . . . . 71 L N . 15545 1 649 . 1 1 72 72 GLU H H 1 8.209 . . . . . . . 72 E HN . 15545 1 650 . 1 1 72 72 GLU HA H 1 4.487 . . . . . . . 72 E HA . 15545 1 651 . 1 1 72 72 GLU HB2 H 1 2.374 . . . . . . . 72 E HB1 . 15545 1 652 . 1 1 72 72 GLU HB3 H 1 1.930 . . . . . . . 72 E HB2 . 15545 1 653 . 1 1 72 72 GLU C C 13 178.648 . . . . . . . 72 E C . 15545 1 654 . 1 1 72 72 GLU CA C 13 56.985 . . . . . . . 72 E CA . 15545 1 655 . 1 1 72 72 GLU CB C 13 31.224 . . . . . . . 72 E CB . 15545 1 656 . 1 1 72 72 GLU CG C 13 37.372 . . . . . . . 72 E CG . 15545 1 657 . 1 1 72 72 GLU N N 15 119.643 . . . . . . . 72 E N . 15545 1 658 . 1 1 73 73 LYS H H 1 8.800 . . . . . . . 73 K HN . 15545 1 659 . 1 1 73 73 LYS HA H 1 4.266 . . . . . . . 73 K HA . 15545 1 660 . 1 1 73 73 LYS HB2 H 1 1.943 . . . . . . . 73 K HB1 . 15545 1 661 . 1 1 73 73 LYS C C 13 180.533 . . . . . . . 73 K C . 15545 1 662 . 1 1 73 73 LYS CA C 13 58.919 . . . . . . . 73 K CA . 15545 1 663 . 1 1 73 73 LYS CB C 13 31.774 . . . . . . . 73 K CB . 15545 1 664 . 1 1 73 73 LYS CD C 13 29.216 . . . . . . . 73 K CD . 15545 1 665 . 1 1 73 73 LYS CE C 13 42.819 . . . . . . . 73 K CE . 15545 1 666 . 1 1 73 73 LYS CG C 13 25.037 . . . . . . . 73 K CG . 15545 1 667 . 1 1 73 73 LYS N N 15 124.799 . . . . . . . 73 K N . 15545 1 668 . 1 1 74 74 ARG H H 1 8.311 . . . . . . . 74 R HN . 15545 1 669 . 1 1 74 74 ARG HA H 1 4.613 . . . . . . . 74 R HA . 15545 1 670 . 1 1 74 74 ARG HB2 H 1 2.449 . . . . . . . 74 R HB1 . 15545 1 671 . 1 1 74 74 ARG HB3 H 1 2.283 . . . . . . . 74 R HB2 . 15545 1 672 . 1 1 74 74 ARG HG2 H 1 2.425 . . . . . . . 74 R HG1 . 15545 1 673 . 1 1 74 74 ARG HG3 H 1 2.234 . . . . . . . 74 R HG2 . 15545 1 674 . 1 1 74 74 ARG C C 13 179.161 . . . . . . . 74 R C . 15545 1 675 . 1 1 74 74 ARG CA C 13 61.084 . . . . . . . 74 R CA . 15545 1 676 . 1 1 74 74 ARG CB C 13 30.639 . . . . . . . 74 R CB . 15545 1 677 . 1 1 74 74 ARG CD C 13 38.574 . . . . . . . 74 R CD . 15545 1 678 . 1 1 74 74 ARG N N 15 121.048 . . . . . . . 74 R N . 15545 1 679 . 1 1 75 75 LEU H H 1 8.457 . . . . . . . 75 L HN . 15545 1 680 . 1 1 75 75 LEU HA H 1 4.361 . . . . . . . 75 L HA . 15545 1 681 . 1 1 75 75 LEU HB2 H 1 2.076 . . . . . . . 75 L HB1 . 15545 1 682 . 1 1 75 75 LEU HB3 H 1 1.452 . . . . . . . 75 L HB2 . 15545 1 683 . 1 1 75 75 LEU C C 13 177.566 . . . . . . . 75 L C . 15545 1 684 . 1 1 75 75 LEU CA C 13 59.327 . . . . . . . 75 L CA . 15545 1 685 . 1 1 75 75 LEU CB C 13 42.348 . . . . . . . 75 L CB . 15545 1 686 . 1 1 75 75 LEU CD1 C 13 23.620 . . . . . . . 75 L CD1 . 15545 1 687 . 1 1 75 75 LEU CG C 13 26.127 . . . . . . . 75 L CG . 15545 1 688 . 1 1 75 75 LEU N N 15 118.745 . . . . . . . 75 L N . 15545 1 689 . 1 1 76 76 LEU H H 1 8.674 . . . . . . . 76 L HN . 15545 1 690 . 1 1 76 76 LEU HA H 1 4.327 . . . . . . . 76 L HA . 15545 1 691 . 1 1 76 76 LEU HB2 H 1 1.913 . . . . . . . 76 L HB1 . 15545 1 692 . 1 1 76 76 LEU C C 13 177.636 . . . . . . . 76 L C . 15545 1 693 . 1 1 76 76 LEU CA C 13 54.618 . . . . . . . 76 L CA . 15545 1 694 . 1 1 76 76 LEU CB C 13 42.802 . . . . . . . 76 L CB . 15545 1 695 . 1 1 76 76 LEU CD1 C 13 25.676 . . . . . . . 76 L CD1 . 15545 1 696 . 1 1 76 76 LEU CD2 C 13 22.648 . . . . . . . 76 L CD2 . 15545 1 697 . 1 1 76 76 LEU CG C 13 27.595 . . . . . . . 76 L CG . 15545 1 698 . 1 1 76 76 LEU N N 15 120.113 . . . . . . . 76 L N . 15545 1 699 . 1 1 77 77 LYS H H 1 7.771 . . . . . . . 77 K HN . 15545 1 700 . 1 1 77 77 LYS CA C 13 59.328 . . . . . . . 77 K CA . 15545 1 701 . 1 1 77 77 LYS N N 15 122.760 . . . . . . . 77 K N . 15545 1 702 . 1 1 78 78 LYS HA H 1 3.852 . . . . . . . 78 K HA . 15545 1 703 . 1 1 78 78 LYS HB2 H 1 2.082 . . . . . . . 78 K HB1 . 15545 1 704 . 1 1 78 78 LYS C C 13 179.160 . . . . . . . 78 K C . 15545 1 705 . 1 1 78 78 LYS CA C 13 60.812 . . . . . . . 78 K CA . 15545 1 706 . 1 1 78 78 LYS CB C 13 32.921 . . . . . . . 78 K CB . 15545 1 707 . 1 1 78 78 LYS CD C 13 29.361 . . . . . . . 78 K CD . 15545 1 708 . 1 1 78 78 LYS CG C 13 25.014 . . . . . . . 78 K CG . 15545 1 709 . 1 1 79 79 HIS H H 1 8.484 . . . . . . . 79 H HN . 15545 1 710 . 1 1 79 79 HIS HA H 1 4.536 . . . . . . . 79 H HA . 15545 1 711 . 1 1 79 79 HIS HB2 H 1 3.826 . . . . . . . 79 H HB1 . 15545 1 712 . 1 1 79 79 HIS HB3 H 1 3.323 . . . . . . . 79 H HB2 . 15545 1 713 . 1 1 79 79 HIS C C 13 177.960 . . . . . . . 79 H C . 15545 1 714 . 1 1 79 79 HIS CA C 13 60.498 . . . . . . . 79 H CA . 15545 1 715 . 1 1 79 79 HIS CB C 13 28.297 . . . . . . . 79 H CB . 15545 1 716 . 1 1 79 79 HIS N N 15 114.625 . . . . . . . 79 H N . 15545 1 717 . 1 1 80 80 GLU H H 1 9.307 . . . . . . . 80 E HN . 15545 1 718 . 1 1 80 80 GLU HA H 1 3.714 . . . . . . . 80 E HA . 15545 1 719 . 1 1 80 80 GLU HB2 H 1 2.565 . . . . . . . 80 E HB1 . 15545 1 720 . 1 1 80 80 GLU HB3 H 1 2.091 . . . . . . . 80 E HB2 . 15545 1 721 . 1 1 80 80 GLU C C 13 177.698 . . . . . . . 80 E C . 15545 1 722 . 1 1 80 80 GLU CA C 13 60.498 . . . . . . . 80 E CA . 15545 1 723 . 1 1 80 80 GLU CB C 13 30.053 . . . . . . . 80 E CB . 15545 1 724 . 1 1 80 80 GLU CG C 13 38.182 . . . . . . . 80 E CG . 15545 1 725 . 1 1 80 80 GLU N N 15 121.744 . . . . . . . 80 E N . 15545 1 726 . 1 1 81 81 GLU H H 1 7.965 . . . . . . . 81 E HN . 15545 1 727 . 1 1 81 81 GLU HA H 1 4.331 . . . . . . . 81 E HA . 15545 1 728 . 1 1 81 81 GLU HB2 H 1 2.241 . . . . . . . 81 E HB1 . 15545 1 729 . 1 1 81 81 GLU C C 13 178.517 . . . . . . . 81 E C . 15545 1 730 . 1 1 81 81 GLU CA C 13 58.156 . . . . . . . 81 E CA . 15545 1 731 . 1 1 81 81 GLU CB C 13 31.224 . . . . . . . 81 E CB . 15545 1 732 . 1 1 81 81 GLU CG C 13 36.858 . . . . . . . 81 E CG . 15545 1 733 . 1 1 81 81 GLU N N 15 113.613 . . . . . . . 81 E N . 15545 1 734 . 1 1 82 82 THR H H 1 7.753 . . . . . . . 82 T HN . 15545 1 735 . 1 1 82 82 THR HA H 1 4.644 . . . . . . . 82 T HA . 15545 1 736 . 1 1 82 82 THR HB H 1 4.303 . . . . . . . 82 T HB . 15545 1 737 . 1 1 82 82 THR HG21 H 1 1.302 . . . . . . . 82 T HG21 . 15545 1 738 . 1 1 82 82 THR HG22 H 1 1.302 . . . . . . . 82 T HG21 . 15545 1 739 . 1 1 82 82 THR HG23 H 1 1.302 . . . . . . . 82 T HG21 . 15545 1 740 . 1 1 82 82 THR C C 13 174.851 . . . . . . . 82 T C . 15545 1 741 . 1 1 82 82 THR CA C 13 62.255 . . . . . . . 82 T CA . 15545 1 742 . 1 1 82 82 THR CB C 13 72.208 . . . . . . . 82 T CB . 15545 1 743 . 1 1 82 82 THR CG2 C 13 22.106 . . . . . . . 82 T CG2 . 15545 1 744 . 1 1 82 82 THR N N 15 130.619 . . . . . . . 82 T N . 15545 1 745 . 1 1 83 83 GLU H H 1 7.971 . . . . . . . 83 E HN . 15545 1 746 . 1 1 83 83 GLU HA H 1 4.644 . . . . . . . 83 E HA . 15545 1 747 . 1 1 83 83 GLU HB2 H 1 2.063 . . . . . . . 83 E HB1 . 15545 1 748 . 1 1 83 83 GLU C C 13 175.186 . . . . . . . 83 E C . 15545 1 749 . 1 1 83 83 GLU CA C 13 56.400 . . . . . . . 83 E CA . 15545 1 750 . 1 1 83 83 GLU CB C 13 33.566 . . . . . . . 83 E CB . 15545 1 751 . 1 1 83 83 GLU CG C 13 36.275 . . . . . . . 83 E CG . 15545 1 752 . 1 1 83 83 GLU N N 15 119.472 . . . . . . . 83 E N . 15545 1 753 . 1 1 84 84 CYS H H 1 7.506 . . . . . . . 84 C HN . 15545 1 754 . 1 1 84 84 CYS HA H 1 3.989 . . . . . . . 84 C HA . 15545 1 755 . 1 1 84 84 CYS CA C 13 59.328 . . . . . . . 84 C CA . 15545 1 756 . 1 1 84 84 CYS CB C 13 29.469 . . . . . . . 84 C CB . 15545 1 757 . 1 1 84 84 CYS N N 15 124.279 . . . . . . . 84 C N . 15545 1 758 . 1 1 85 85 PRO HA H 1 4.518 . . . . . . . 85 P HA . 15545 1 759 . 1 1 85 85 PRO HB2 H 1 2.419 . . . . . . . 85 P HB1 . 15545 1 760 . 1 1 85 85 PRO HB3 H 1 2.099 . . . . . . . 85 P HB2 . 15545 1 761 . 1 1 85 85 PRO HG2 H 1 2.156 . . . . . . . 85 P HG1 . 15545 1 762 . 1 1 85 85 PRO C C 13 176.244 . . . . . . . 85 P C . 15545 1 763 . 1 1 85 85 PRO CA C 13 64.597 . . . . . . . 85 P CA . 15545 1 764 . 1 1 85 85 PRO CB C 13 32.395 . . . . . . . 85 P CB . 15545 1 765 . 1 1 85 85 PRO CG C 13 27.613 . . . . . . . 85 P CG . 15545 1 766 . 1 1 86 86 LEU H H 1 8.216 . . . . . . . 86 L HN . 15545 1 767 . 1 1 86 86 LEU HA H 1 4.487 . . . . . . . 86 L HA . 15545 1 768 . 1 1 86 86 LEU HB2 H 1 1.852 . . . . . . . 86 L HB1 . 15545 1 769 . 1 1 86 86 LEU C C 13 177.340 . . . . . . . 86 L C . 15545 1 770 . 1 1 86 86 LEU CA C 13 54.643 . . . . . . . 86 L CA . 15545 1 771 . 1 1 86 86 LEU CB C 13 41.178 . . . . . . . 86 L CB . 15545 1 772 . 1 1 86 86 LEU CD1 C 13 22.334 . . . . . . . 86 L CD1 . 15545 1 773 . 1 1 86 86 LEU CG C 13 25.798 . . . . . . . 86 L CG . 15545 1 774 . 1 1 86 86 LEU N N 15 118.446 . . . . . . . 86 L N . 15545 1 775 . 1 1 87 87 ARG H H 1 7.426 . . . . . . . 87 R HN . 15545 1 776 . 1 1 87 87 ARG HA H 1 4.331 . . . . . . . 87 R HA . 15545 1 777 . 1 1 87 87 ARG HB2 H 1 2.085 . . . . . . . 87 R HB1 . 15545 1 778 . 1 1 87 87 ARG HB3 H 1 1.848 . . . . . . . 87 R HB2 . 15545 1 779 . 1 1 87 87 ARG C C 13 174.454 . . . . . . . 87 R C . 15545 1 780 . 1 1 87 87 ARG CA C 13 56.096 . . . . . . . 87 R CA . 15545 1 781 . 1 1 87 87 ARG CB C 13 30.639 . . . . . . . 87 R CB . 15545 1 782 . 1 1 87 87 ARG CD C 13 43.493 . . . . . . . 87 R CD . 15545 1 783 . 1 1 87 87 ARG CG C 13 27.193 . . . . . . . 87 R CG . 15545 1 784 . 1 1 87 87 ARG N N 15 119.943 . . . . . . . 87 R N . 15545 1 785 . 1 1 88 88 LEU H H 1 8.223 . . . . . . . 88 L HN . 15545 1 786 . 1 1 88 88 LEU HA H 1 4.800 . . . . . . . 88 L HA . 15545 1 787 . 1 1 88 88 LEU HB2 H 1 1.762 . . . . . . . 88 L HB1 . 15545 1 788 . 1 1 88 88 LEU HB3 H 1 1.311 . . . . . . . 88 L HB2 . 15545 1 789 . 1 1 88 88 LEU HD11 H 1 0.578 . . . . . . . 88 L HD11 . 15545 1 790 . 1 1 88 88 LEU HD12 H 1 0.578 . . . . . . . 88 L HD11 . 15545 1 791 . 1 1 88 88 LEU HD13 H 1 0.578 . . . . . . . 88 L HD11 . 15545 1 792 . 1 1 88 88 LEU HG H 1 1.449 . . . . . . . 88 L HG . 15545 1 793 . 1 1 88 88 LEU C C 13 176.275 . . . . . . . 88 L C . 15545 1 794 . 1 1 88 88 LEU CA C 13 54.058 . . . . . . . 88 L CA . 15545 1 795 . 1 1 88 88 LEU CB C 13 44.105 . . . . . . . 88 L CB . 15545 1 796 . 1 1 88 88 LEU CD1 C 13 25.464 . . . . . . . 88 L CD1 . 15545 1 797 . 1 1 88 88 LEU CD2 C 13 22.878 . . . . . . . 88 L CD2 . 15545 1 798 . 1 1 88 88 LEU N N 15 122.122 . . . . . . . 88 L N . 15545 1 799 . 1 1 89 89 ALA H H 1 9.181 . . . . . . . 89 A HN . 15545 1 800 . 1 1 89 89 ALA HA H 1 4.644 . . . . . . . 89 A HA . 15545 1 801 . 1 1 89 89 ALA HB1 H 1 1.223 . . . . . . . 89 A HB1 . 15545 1 802 . 1 1 89 89 ALA HB2 H 1 1.223 . . . . . . . 89 A HB2 . 15545 1 803 . 1 1 89 89 ALA HB3 H 1 1.223 . . . . . . . 89 A HB2 . 15545 1 804 . 1 1 89 89 ALA C C 13 174.421 . . . . . . . 89 A C . 15545 1 805 . 1 1 89 89 ALA CA C 13 50.545 . . . . . . . 89 A CA . 15545 1 806 . 1 1 89 89 ALA CB C 13 23.613 . . . . . . . 89 A CB . 15545 1 807 . 1 1 89 89 ALA N N 15 125.117 . . . . . . . 89 A N . 15545 1 808 . 1 1 90 90 VAL H H 1 7.948 . . . . . . . 90 V HN . 15545 1 809 . 1 1 90 90 VAL HA H 1 4.857 . . . . . . . 90 V HA . 15545 1 810 . 1 1 90 90 VAL HB H 1 1.768 . . . . . . . 90 V HB . 15545 1 811 . 1 1 90 90 VAL HG11 H 1 0.855 . . . . . . . 90 V HG11 . 15545 1 812 . 1 1 90 90 VAL HG12 H 1 0.855 . . . . . . . 90 V HG11 . 15545 1 813 . 1 1 90 90 VAL HG13 H 1 0.855 . . . . . . . 90 V HG11 . 15545 1 814 . 1 1 90 90 VAL HG21 H 1 0.808 . . . . . . . 90 V HG21 . 15545 1 815 . 1 1 90 90 VAL HG22 H 1 0.808 . . . . . . . 90 V HG21 . 15545 1 816 . 1 1 90 90 VAL HG23 H 1 0.808 . . . . . . . 90 V HG21 . 15545 1 817 . 1 1 90 90 VAL C C 13 175.941 . . . . . . . 90 V C . 15545 1 818 . 1 1 90 90 VAL CA C 13 59.913 . . . . . . . 90 V CA . 15545 1 819 . 1 1 90 90 VAL CB C 13 34.152 . . . . . . . 90 V CB . 15545 1 820 . 1 1 90 90 VAL CG1 C 13 21.291 . . . . . . . 90 V CG1 . 15545 1 821 . 1 1 90 90 VAL CG2 C 13 24.164 . . . . . . . 90 V CG2 . 15545 1 822 . 1 1 90 90 VAL N N 15 116.635 . . . . . . . 90 V N . 15545 1 823 . 1 1 91 91 CYS H H 1 8.828 . . . . . . . 91 C HN . 15545 1 824 . 1 1 91 91 CYS HA H 1 4.588 . . . . . . . 91 C HA . 15545 1 825 . 1 1 91 91 CYS HB2 H 1 3.307 . . . . . . . 91 C HB1 . 15545 1 826 . 1 1 91 91 CYS HB3 H 1 2.744 . . . . . . . 91 C HB2 . 15545 1 827 . 1 1 91 91 CYS C C 13 177.818 . . . . . . . 91 C C . 15545 1 828 . 1 1 91 91 CYS CA C 13 59.913 . . . . . . . 91 C CA . 15545 1 829 . 1 1 91 91 CYS CB C 13 31.224 . . . . . . . 91 C CB . 15545 1 830 . 1 1 91 91 CYS N N 15 128.993 . . . . . . . 91 C N . 15545 1 831 . 1 1 92 92 GLN H H 1 9.369 . . . . . . . 92 Q HN . 15545 1 832 . 1 1 92 92 GLN HA H 1 4.214 . . . . . . . 92 Q HA . 15545 1 833 . 1 1 92 92 GLN HB2 H 1 1.993 . . . . . . . 92 Q HB1 . 15545 1 834 . 1 1 92 92 GLN HE21 H 1 6.845 . . . . . . . 92 Q HE21 . 15545 1 835 . 1 1 92 92 GLN HE22 H 1 7.713 . . . . . . . 92 Q HE22 . 15545 1 836 . 1 1 92 92 GLN C C 13 175.239 . . . . . . . 92 Q C . 15545 1 837 . 1 1 92 92 GLN CA C 13 57.571 . . . . . . . 92 Q CA . 15545 1 838 . 1 1 92 92 GLN CB C 13 29.468 . . . . . . . 92 Q CB . 15545 1 839 . 1 1 92 92 GLN CG C 13 32.627 . . . . . . . 92 Q CG . 15545 1 840 . 1 1 92 92 GLN N N 15 129.240 . . . . . . . 92 Q N . 15545 1 841 . 1 1 92 92 GLN NE2 N 15 113.035 . . . . . . . 92 Q NE2 . 15545 1 842 . 1 1 93 93 HIS H H 1 9.819 . . . . . . . 93 H HN . 15545 1 843 . 1 1 93 93 HIS HA H 1 4.956 . . . . . . . 93 H HA . 15545 1 844 . 1 1 93 93 HIS HB2 H 1 3.777 . . . . . . . 93 H HB1 . 15545 1 845 . 1 1 93 93 HIS HB3 H 1 2.859 . . . . . . . 93 H HB2 . 15545 1 846 . 1 1 93 93 HIS C C 13 177.025 . . . . . . . 93 H C . 15545 1 847 . 1 1 93 93 HIS CA C 13 56.985 . . . . . . . 93 H CA . 15545 1 848 . 1 1 93 93 HIS CB C 13 32.395 . . . . . . . 93 H CB . 15545 1 849 . 1 1 93 93 HIS N N 15 123.295 . . . . . . . 93 H N . 15545 1 850 . 1 1 94 94 CYS H H 1 8.584 . . . . . . . 94 C HN . 15545 1 851 . 1 1 94 94 CYS HA H 1 5.113 . . . . . . . 94 C HA . 15545 1 852 . 1 1 94 94 CYS HB2 H 1 3.374 . . . . . . . 94 C HB1 . 15545 1 853 . 1 1 94 94 CYS HB3 H 1 2.437 . . . . . . . 94 C HB2 . 15545 1 854 . 1 1 94 94 CYS C C 13 175.560 . . . . . . . 94 C C . 15545 1 855 . 1 1 94 94 CYS CA C 13 58.742 . . . . . . . 94 C CA . 15545 1 856 . 1 1 94 94 CYS CB C 13 32.981 . . . . . . . 94 C CB . 15545 1 857 . 1 1 94 94 CYS N N 15 118.617 . . . . . . . 94 C N . 15545 1 858 . 1 1 95 95 ASP H H 1 7.895 . . . . . . . 95 D HN . 15545 1 859 . 1 1 95 95 ASP HA H 1 4.487 . . . . . . . 95 D HA . 15545 1 860 . 1 1 95 95 ASP HB2 H 1 2.992 . . . . . . . 95 D HB1 . 15545 1 861 . 1 1 95 95 ASP C C 13 174.578 . . . . . . . 95 D C . 15545 1 862 . 1 1 95 95 ASP CA C 13 56.985 . . . . . . . 95 D CA . 15545 1 863 . 1 1 95 95 ASP CB C 13 40.592 . . . . . . . 95 D CB . 15545 1 864 . 1 1 95 95 ASP N N 15 118.631 . . . . . . . 95 D N . 15545 1 865 . 1 1 96 96 LEU H H 1 8.444 . . . . . . . 96 L HN . 15545 1 866 . 1 1 96 96 LEU HA H 1 4.175 . . . . . . . 96 L HA . 15545 1 867 . 1 1 96 96 LEU HB2 H 1 1.811 . . . . . . . 96 L HB1 . 15545 1 868 . 1 1 96 96 LEU HB3 H 1 1.289 . . . . . . . 96 L HB2 . 15545 1 869 . 1 1 96 96 LEU C C 13 175.311 . . . . . . . 96 L C . 15545 1 870 . 1 1 96 96 LEU CA C 13 56.400 . . . . . . . 96 L CA . 15545 1 871 . 1 1 96 96 LEU CB C 13 44.690 . . . . . . . 96 L CB . 15545 1 872 . 1 1 96 96 LEU CD1 C 13 25.752 . . . . . . . 96 L CD1 . 15545 1 873 . 1 1 96 96 LEU CD2 C 13 23.682 . . . . . . . 96 L CD2 . 15545 1 874 . 1 1 96 96 LEU N N 15 124.117 . . . . . . . 96 L N . 15545 1 875 . 1 1 97 97 GLU H H 1 8.125 . . . . . . . 97 E HN . 15545 1 876 . 1 1 97 97 GLU HA H 1 5.054 . . . . . . . 97 E HA . 15545 1 877 . 1 1 97 97 GLU HB2 H 1 1.994 . . . . . . . 97 E HB1 . 15545 1 878 . 1 1 97 97 GLU HB3 H 1 1.912 . . . . . . . 97 E HB2 . 15545 1 879 . 1 1 97 97 GLU HG2 H 1 2.199 . . . . . . . 97 E HG1 . 15545 1 880 . 1 1 97 97 GLU C C 13 175.888 . . . . . . . 97 E C . 15545 1 881 . 1 1 97 97 GLU CA C 13 55.229 . . . . . . . 97 E CA . 15545 1 882 . 1 1 97 97 GLU CB C 13 31.224 . . . . . . . 97 E CB . 15545 1 883 . 1 1 97 97 GLU CG C 13 37.949 . . . . . . . 97 E CG . 15545 1 884 . 1 1 97 97 GLU N N 15 124.401 . . . . . . . 97 E N . 15545 1 885 . 1 1 98 98 LEU H H 1 9.089 . . . . . . . 98 L HN . 15545 1 886 . 1 1 98 98 LEU HA H 1 4.644 . . . . . . . 98 L HA . 15545 1 887 . 1 1 98 98 LEU HB2 H 1 1.542 . . . . . . . 98 L HB1 . 15545 1 888 . 1 1 98 98 LEU HD21 H 1 0.620 . . . . . . . 98 L HD21 . 15545 1 889 . 1 1 98 98 LEU HD22 H 1 0.620 . . . . . . . 98 L HD21 . 15545 1 890 . 1 1 98 98 LEU HD23 H 1 0.620 . . . . . . . 98 L HD21 . 15545 1 891 . 1 1 98 98 LEU HG H 1 1.507 . . . . . . . 98 L HG . 15545 1 892 . 1 1 98 98 LEU C C 13 174.884 . . . . . . . 98 L C . 15545 1 893 . 1 1 98 98 LEU CA C 13 54.058 . . . . . . . 98 L CA . 15545 1 894 . 1 1 98 98 LEU CB C 13 45.861 . . . . . . . 98 L CB . 15545 1 895 . 1 1 98 98 LEU CD1 C 13 24.935 . . . . . . . 98 L CD1 . 15545 1 896 . 1 1 98 98 LEU CD2 C 13 24.762 . . . . . . . 98 L CD2 . 15545 1 897 . 1 1 98 98 LEU CG C 13 26.923 . . . . . . . 98 L CG . 15545 1 898 . 1 1 98 98 LEU N N 15 126.571 . . . . . . . 98 L N . 15545 1 899 . 1 1 99 99 SER H H 1 8.238 . . . . . . . 99 S HN . 15545 1 900 . 1 1 99 99 SER HA H 1 4.487 . . . . . . . 99 S HA . 15545 1 901 . 1 1 99 99 SER HB2 H 1 4.185 . . . . . . . 99 S HB1 . 15545 1 902 . 1 1 99 99 SER HB3 H 1 3.792 . . . . . . . 99 S HB2 . 15545 1 903 . 1 1 99 99 SER C C 13 177.226 . . . . . . . 99 S C . 15545 1 904 . 1 1 99 99 SER CA C 13 58.156 . . . . . . . 99 S CA . 15545 1 905 . 1 1 99 99 SER CB C 13 64.011 . . . . . . . 99 S CB . 15545 1 906 . 1 1 99 99 SER N N 15 113.381 . . . . . . . 99 S N . 15545 1 907 . 1 1 100 100 ILE H H 1 8.712 . . . . . . . 100 I HN . 15545 1 908 . 1 1 100 100 ILE HA H 1 3.847 . . . . . . . 100 I HA . 15545 1 909 . 1 1 100 100 ILE HB H 1 1.916 . . . . . . . 100 I HB . 15545 1 910 . 1 1 100 100 ILE HD11 H 1 0.986 . . . . . . . 100 I HD11 . 15545 1 911 . 1 1 100 100 ILE HD12 H 1 0.986 . . . . . . . 100 I HD11 . 15545 1 912 . 1 1 100 100 ILE HD13 H 1 0.986 . . . . . . . 100 I HD11 . 15545 1 913 . 1 1 100 100 ILE HG12 H 1 1.480 . . . . . . . 100 I HG11 . 15545 1 914 . 1 1 100 100 ILE HG13 H 1 1.313 . . . . . . . 100 I HG12 . 15545 1 915 . 1 1 100 100 ILE HG21 H 1 0.975 . . . . . . . 100 I HG21 . 15545 1 916 . 1 1 100 100 ILE HG22 H 1 0.975 . . . . . . . 100 I HG21 . 15545 1 917 . 1 1 100 100 ILE HG23 H 1 0.975 . . . . . . . 100 I HG21 . 15545 1 918 . 1 1 100 100 ILE C C 13 177.040 . . . . . . . 100 I C . 15545 1 919 . 1 1 100 100 ILE CA C 13 64.011 . . . . . . . 100 I CA . 15545 1 920 . 1 1 100 100 ILE CB C 13 38.250 . . . . . . . 100 I CB . 15545 1 921 . 1 1 100 100 ILE CD1 C 13 13.974 . . . . . . . 100 I CD1 . 15545 1 922 . 1 1 100 100 ILE CG1 C 13 28.848 . . . . . . . 100 I CG1 . 15545 1 923 . 1 1 100 100 ILE CG2 C 13 17.965 . . . . . . . 100 I CG2 . 15545 1 924 . 1 1 100 100 ILE N N 15 125.328 . . . . . . . 100 I N . 15545 1 925 . 1 1 101 101 LEU H H 1 7.901 . . . . . . . 101 L HN . 15545 1 926 . 1 1 101 101 LEU HA H 1 4.331 . . . . . . . 101 L HA . 15545 1 927 . 1 1 101 101 LEU HB2 H 1 1.759 . . . . . . . 101 L HB1 . 15545 1 928 . 1 1 101 101 LEU HD11 H 1 0.505 . . . . . . . 101 L HD11 . 15545 1 929 . 1 1 101 101 LEU HD12 H 1 0.505 . . . . . . . 101 L HD11 . 15545 1 930 . 1 1 101 101 LEU HD13 H 1 0.505 . . . . . . . 101 L HD11 . 15545 1 931 . 1 1 101 101 LEU HD21 H 1 0.508 . . . . . . . 101 L HD21 . 15545 1 932 . 1 1 101 101 LEU HD22 H 1 0.508 . . . . . . . 101 L HD21 . 15545 1 933 . 1 1 101 101 LEU HD23 H 1 0.508 . . . . . . . 101 L HD21 . 15545 1 934 . 1 1 101 101 LEU HG H 1 1.413 . . . . . . . 101 L HG . 15545 1 935 . 1 1 101 101 LEU C C 13 178.419 . . . . . . . 101 L C . 15545 1 936 . 1 1 101 101 LEU CA C 13 56.985 . . . . . . . 101 L CA . 15545 1 937 . 1 1 101 101 LEU CB C 13 41.763 . . . . . . . 101 L CB . 15545 1 938 . 1 1 101 101 LEU CD1 C 13 25.230 . . . . . . . 101 L CD1 . 15545 1 939 . 1 1 101 101 LEU CD2 C 13 23.370 . . . . . . . 101 L CD2 . 15545 1 940 . 1 1 101 101 LEU CG C 13 27.273 . . . . . . . 101 L CG . 15545 1 941 . 1 1 101 101 LEU N N 15 119.895 . . . . . . . 101 L N . 15545 1 942 . 1 1 102 102 LYS H H 1 7.688 . . . . . . . 102 K HN . 15545 1 943 . 1 1 102 102 LYS HA H 1 4.644 . . . . . . . 102 K HA . 15545 1 944 . 1 1 102 102 LYS HB2 H 1 2.221 . . . . . . . 102 K HB1 . 15545 1 945 . 1 1 102 102 LYS HB3 H 1 1.856 . . . . . . . 102 K HB2 . 15545 1 946 . 1 1 102 102 LYS C C 13 177.265 . . . . . . . 102 K C . 15545 1 947 . 1 1 102 102 LYS CA C 13 55.229 . . . . . . . 102 K CA . 15545 1 948 . 1 1 102 102 LYS CB C 13 33.566 . . . . . . . 102 K CB . 15545 1 949 . 1 1 102 102 LYS CD C 13 28.634 . . . . . . . 102 K CD . 15545 1 950 . 1 1 102 102 LYS CE C 13 42.540 . . . . . . . 102 K CE . 15545 1 951 . 1 1 102 102 LYS CG C 13 25.050 . . . . . . . 102 K CG . 15545 1 952 . 1 1 102 102 LYS N N 15 116.516 . . . . . . . 102 K N . 15545 1 953 . 1 1 103 103 LEU H H 1 7.591 . . . . . . . 103 L HN . 15545 1 954 . 1 1 103 103 LEU HA H 1 4.275 . . . . . . . 103 L HA . 15545 1 955 . 1 1 103 103 LEU HB2 H 1 1.981 . . . . . . . 103 L HB1 . 15545 1 956 . 1 1 103 103 LEU HB3 H 1 1.531 . . . . . . . 103 L HB2 . 15545 1 957 . 1 1 103 103 LEU C C 13 177.496 . . . . . . . 103 L C . 15545 1 958 . 1 1 103 103 LEU CA C 13 59.327 . . . . . . . 103 L CA . 15545 1 959 . 1 1 103 103 LEU CB C 13 42.934 . . . . . . . 103 L CB . 15545 1 960 . 1 1 103 103 LEU CD1 C 13 23.369 . . . . . . . 103 L CD1 . 15545 1 961 . 1 1 103 103 LEU CG C 13 25.894 . . . . . . . 103 L CG . 15545 1 962 . 1 1 103 103 LEU N N 15 122.027 . . . . . . . 103 L N . 15545 1 963 . 1 1 104 104 LYS H H 1 8.596 . . . . . . . 104 K HN . 15545 1 964 . 1 1 104 104 LYS HA H 1 4.175 . . . . . . . 104 K HA . 15545 1 965 . 1 1 104 104 LYS HB2 H 1 1.968 . . . . . . . 104 K HB1 . 15545 1 966 . 1 1 104 104 LYS C C 13 178.402 . . . . . . . 104 K C . 15545 1 967 . 1 1 104 104 LYS CA C 13 59.913 . . . . . . . 104 K CA . 15545 1 968 . 1 1 104 104 LYS CB C 13 31.810 . . . . . . . 104 K CB . 15545 1 969 . 1 1 104 104 LYS CD C 13 28.758 . . . . . . . 104 K CD . 15545 1 970 . 1 1 104 104 LYS CE C 13 42.629 . . . . . . . 104 K CE . 15545 1 971 . 1 1 104 104 LYS CG C 13 24.969 . . . . . . . 104 K CG . 15545 1 972 . 1 1 104 104 LYS N N 15 119.624 . . . . . . . 104 K N . 15545 1 973 . 1 1 105 105 GLU H H 1 8.321 . . . . . . . 105 E HN . 15545 1 974 . 1 1 105 105 GLU HA H 1 4.175 . . . . . . . 105 E HA . 15545 1 975 . 1 1 105 105 GLU HB2 H 1 2.155 . . . . . . . 105 E HB1 . 15545 1 976 . 1 1 105 105 GLU C C 13 179.161 . . . . . . . 105 E C . 15545 1 977 . 1 1 105 105 GLU CA C 13 59.327 . . . . . . . 105 E CA . 15545 1 978 . 1 1 105 105 GLU CB C 13 30.053 . . . . . . . 105 E CB . 15545 1 979 . 1 1 105 105 GLU CG C 13 36.848 . . . . . . . 105 E CG . 15545 1 980 . 1 1 105 105 GLU N N 15 118.079 . . . . . . . 105 E N . 15545 1 981 . 1 1 106 106 HIS H H 1 7.969 . . . . . . . 106 H HN . 15545 1 982 . 1 1 106 106 HIS HA H 1 4.348 . . . . . . . 106 H HA . 15545 1 983 . 1 1 106 106 HIS HB2 H 1 3.541 . . . . . . . 106 H HB1 . 15545 1 984 . 1 1 106 106 HIS HB3 H 1 3.299 . . . . . . . 106 H HB2 . 15545 1 985 . 1 1 106 106 HIS C C 13 177.304 . . . . . . . 106 H C . 15545 1 986 . 1 1 106 106 HIS CA C 13 60.498 . . . . . . . 106 H CA . 15545 1 987 . 1 1 106 106 HIS CB C 13 28.883 . . . . . . . 106 H CB . 15545 1 988 . 1 1 106 106 HIS N N 15 116.868 . . . . . . . 106 H N . 15545 1 989 . 1 1 107 107 GLU H H 1 9.552 . . . . . . . 107 E HN . 15545 1 990 . 1 1 107 107 GLU HA H 1 4.105 . . . . . . . 107 E HA . 15545 1 991 . 1 1 107 107 GLU HB2 H 1 2.130 . . . . . . . 107 E HB1 . 15545 1 992 . 1 1 107 107 GLU C C 13 175.951 . . . . . . . 107 E C . 15545 1 993 . 1 1 107 107 GLU CA C 13 56.934 . . . . . . . 107 E CA . 15545 1 994 . 1 1 107 107 GLU CB C 13 30.436 . . . . . . . 107 E CB . 15545 1 995 . 1 1 107 107 GLU N N 15 120.173 . . . . . . . 107 E N . 15545 1 996 . 1 1 108 108 ASP H H 1 8.147 . . . . . . . 108 D HN . 15545 1 997 . 1 1 108 108 ASP HA H 1 4.644 . . . . . . . 108 D HA . 15545 1 998 . 1 1 108 108 ASP HB2 H 1 3.146 . . . . . . . 108 D HB1 . 15545 1 999 . 1 1 108 108 ASP HB3 H 1 2.555 . . . . . . . 108 D HB2 . 15545 1 1000 . 1 1 108 108 ASP C C 13 178.360 . . . . . . . 108 D C . 15545 1 1001 . 1 1 108 108 ASP CA C 13 57.571 . . . . . . . 108 D CA . 15545 1 1002 . 1 1 108 108 ASP CB C 13 40.592 . . . . . . . 108 D CB . 15545 1 1003 . 1 1 108 108 ASP N N 15 120.729 . . . . . . . 108 D N . 15545 1 1004 . 1 1 109 109 TYR H H 1 7.066 . . . . . . . 109 Y HN . 15545 1 1005 . 1 1 109 109 TYR HA H 1 4.487 . . . . . . . 109 Y HA . 15545 1 1006 . 1 1 109 109 TYR HB2 H 1 3.141 . . . . . . . 109 Y HB1 . 15545 1 1007 . 1 1 109 109 TYR C C 13 176.765 . . . . . . . 109 Y C . 15545 1 1008 . 1 1 109 109 TYR CA C 13 59.327 . . . . . . . 109 Y CA . 15545 1 1009 . 1 1 109 109 TYR CB C 13 38.836 . . . . . . . 109 Y CB . 15545 1 1010 . 1 1 109 109 TYR N N 15 118.292 . . . . . . . 109 Y N . 15545 1 1011 . 1 1 110 110 CYS H H 1 8.866 . . . . . . . 110 C HN . 15545 1 1012 . 1 1 110 110 CYS C C 13 176.931 . . . . . . . 110 C C . 15545 1 1013 . 1 1 110 110 CYS CA C 13 56.979 . . . . . . . 110 C CA . 15545 1 1014 . 1 1 110 110 CYS CB C 13 30.708 . . . . . . . 110 C CB . 15545 1 1015 . 1 1 110 110 CYS N N 15 125.181 . . . . . . . 110 C N . 15545 1 1016 . 1 1 111 111 GLY H H 1 8.504 . . . . . . . 111 G HN . 15545 1 1017 . 1 1 111 111 GLY HA2 H 1 3.194 . . . . . . . 111 G HA1 . 15545 1 1018 . 1 1 111 111 GLY C C 13 172.951 . . . . . . . 111 G C . 15545 1 1019 . 1 1 111 111 GLY CA C 13 45.276 . . . . . . . 111 G CA . 15545 1 1020 . 1 1 111 111 GLY N N 15 110.585 . . . . . . . 111 G N . 15545 1 1021 . 1 1 112 112 ALA H H 1 7.104 . . . . . . . 112 A HN . 15545 1 1022 . 1 1 112 112 ALA HA H 1 4.487 . . . . . . . 112 A HA . 15545 1 1023 . 1 1 112 112 ALA HB1 H 1 1.212 . . . . . . . 112 A HB1 . 15545 1 1024 . 1 1 112 112 ALA HB2 H 1 1.212 . . . . . . . 112 A HB2 . 15545 1 1025 . 1 1 112 112 ALA HB3 H 1 1.212 . . . . . . . 112 A HB2 . 15545 1 1026 . 1 1 112 112 ALA C C 13 177.488 . . . . . . . 112 A C . 15545 1 1027 . 1 1 112 112 ALA CA C 13 51.131 . . . . . . . 112 A CA . 15545 1 1028 . 1 1 112 112 ALA CB C 13 18.929 . . . . . . . 112 A CB . 15545 1 1029 . 1 1 112 112 ALA N N 15 119.971 . . . . . . . 112 A N . 15545 1 1030 . 1 1 113 113 ARG H H 1 6.835 . . . . . . . 113 R HN . 15545 1 1031 . 1 1 113 113 ARG HA H 1 4.175 . . . . . . . 113 R HA . 15545 1 1032 . 1 1 113 113 ARG HB2 H 1 1.871 . . . . . . . 113 R HB1 . 15545 1 1033 . 1 1 113 113 ARG HB3 H 1 1.777 . . . . . . . 113 R HB2 . 15545 1 1034 . 1 1 113 113 ARG C C 13 175.351 . . . . . . . 113 R C . 15545 1 1035 . 1 1 113 113 ARG CA C 13 56.985 . . . . . . . 113 R CA . 15545 1 1036 . 1 1 113 113 ARG CB C 13 31.224 . . . . . . . 113 R CB . 15545 1 1037 . 1 1 113 113 ARG CD C 13 43.810 . . . . . . . 113 R CD . 15545 1 1038 . 1 1 113 113 ARG CG C 13 27.361 . . . . . . . 113 R CG . 15545 1 1039 . 1 1 113 113 ARG N N 15 119.062 . . . . . . . 113 R N . 15545 1 1040 . 1 1 114 114 THR H H 1 8.128 . . . . . . . 114 T HN . 15545 1 1041 . 1 1 114 114 THR HA H 1 5.113 . . . . . . . 114 T HA . 15545 1 1042 . 1 1 114 114 THR HB H 1 3.804 . . . . . . . 114 T HB . 15545 1 1043 . 1 1 114 114 THR HG21 H 1 1.040 . . . . . . . 114 T HG21 . 15545 1 1044 . 1 1 114 114 THR HG22 H 1 1.040 . . . . . . . 114 T HG21 . 15545 1 1045 . 1 1 114 114 THR HG23 H 1 1.040 . . . . . . . 114 T HG21 . 15545 1 1046 . 1 1 114 114 THR C C 13 174.326 . . . . . . . 114 T C . 15545 1 1047 . 1 1 114 114 THR CA C 13 59.913 . . . . . . . 114 T CA . 15545 1 1048 . 1 1 114 114 THR CB C 13 72.208 . . . . . . . 114 T CB . 15545 1 1049 . 1 1 114 114 THR CG2 C 13 21.701 . . . . . . . 114 T CG2 . 15545 1 1050 . 1 1 114 114 THR N N 15 110.814 . . . . . . . 114 T N . 15545 1 1051 . 1 1 115 115 GLU H H 1 8.959 . . . . . . . 115 E HN . 15545 1 1052 . 1 1 115 115 GLU HA H 1 4.487 . . . . . . . 115 E HA . 15545 1 1053 . 1 1 115 115 GLU HB2 H 1 1.967 . . . . . . . 115 E HB1 . 15545 1 1054 . 1 1 115 115 GLU HB3 H 1 1.701 . . . . . . . 115 E HB2 . 15545 1 1055 . 1 1 115 115 GLU C C 13 174.851 . . . . . . . 115 E C . 15545 1 1056 . 1 1 115 115 GLU CA C 13 55.740 . . . . . . . 115 E CA . 15545 1 1057 . 1 1 115 115 GLU CB C 13 33.566 . . . . . . . 115 E CB . 15545 1 1058 . 1 1 115 115 GLU CG C 13 36.104 . . . . . . . 115 E CG . 15545 1 1059 . 1 1 115 115 GLU N N 15 121.857 . . . . . . . 115 E N . 15545 1 1060 . 1 1 116 116 LEU H H 1 8.484 . . . . . . . 116 L HN . 15545 1 1061 . 1 1 116 116 LEU HA H 1 4.487 . . . . . . . 116 L HA . 15545 1 1062 . 1 1 116 116 LEU HB2 H 1 1.629 . . . . . . . 116 L HB1 . 15545 1 1063 . 1 1 116 116 LEU HB3 H 1 1.430 . . . . . . . 116 L HB2 . 15545 1 1064 . 1 1 116 116 LEU HD11 H 1 0.817 . . . . . . . 116 L HD11 . 15545 1 1065 . 1 1 116 116 LEU HD12 H 1 0.817 . . . . . . . 116 L HD11 . 15545 1 1066 . 1 1 116 116 LEU HD13 H 1 0.817 . . . . . . . 116 L HD11 . 15545 1 1067 . 1 1 116 116 LEU HD21 H 1 0.689 . . . . . . . 116 L HD21 . 15545 1 1068 . 1 1 116 116 LEU HD22 H 1 0.689 . . . . . . . 116 L HD21 . 15545 1 1069 . 1 1 116 116 LEU HD23 H 1 0.689 . . . . . . . 116 L HD21 . 15545 1 1070 . 1 1 116 116 LEU HG H 1 1.253 . . . . . . . 116 L HG . 15545 1 1071 . 1 1 116 116 LEU C C 13 176.866 . . . . . . . 116 L C . 15545 1 1072 . 1 1 116 116 LEU CA C 13 54.643 . . . . . . . 116 L CA . 15545 1 1073 . 1 1 116 116 LEU CB C 13 42.934 . . . . . . . 116 L CB . 15545 1 1074 . 1 1 116 116 LEU CD1 C 13 25.493 . . . . . . . 116 L CD1 . 15545 1 1075 . 1 1 116 116 LEU CD2 C 13 23.801 . . . . . . . 116 L CD2 . 15545 1 1076 . 1 1 116 116 LEU CG C 13 27.165 . . . . . . . 116 L CG . 15545 1 1077 . 1 1 116 116 LEU N N 15 125.268 . . . . . . . 116 L N . 15545 1 1078 . 1 1 117 117 CYS H H 1 8.839 . . . . . . . 117 C HN . 15545 1 1079 . 1 1 117 117 CYS HA H 1 4.487 . . . . . . . 117 C HA . 15545 1 1080 . 1 1 117 117 CYS HB2 H 1 3.405 . . . . . . . 117 C HB1 . 15545 1 1081 . 1 1 117 117 CYS HB3 H 1 2.565 . . . . . . . 117 C HB2 . 15545 1 1082 . 1 1 117 117 CYS C C 13 177.624 . . . . . . . 117 C C . 15545 1 1083 . 1 1 117 117 CYS CA C 13 59.327 . . . . . . . 117 C CA . 15545 1 1084 . 1 1 117 117 CYS CB C 13 30.053 . . . . . . . 117 C CB . 15545 1 1085 . 1 1 117 117 CYS N N 15 130.210 . . . . . . . 117 C N . 15545 1 1086 . 1 1 118 118 GLY H H 1 9.223 . . . . . . . 118 G HN . 15545 1 1087 . 1 1 118 118 GLY HA2 H 1 3.998 . . . . . . . 118 G HA1 . 15545 1 1088 . 1 1 118 118 GLY HA3 H 1 4.019 . . . . . . . 118 G HA2 . 15545 1 1089 . 1 1 118 118 GLY C C 13 174.189 . . . . . . . 118 G C . 15545 1 1090 . 1 1 118 118 GLY CA C 13 46.447 . . . . . . . 118 G CA . 15545 1 1091 . 1 1 118 118 GLY N N 15 118.825 . . . . . . . 118 G N . 15545 1 1092 . 1 1 119 119 ASN H H 1 9.151 . . . . . . . 119 N HN . 15545 1 1093 . 1 1 119 119 ASN HA H 1 4.956 . . . . . . . 119 N HA . 15545 1 1094 . 1 1 119 119 ASN HB2 H 1 2.828 . . . . . . . 119 N HB1 . 15545 1 1095 . 1 1 119 119 ASN HB3 H 1 2.702 . . . . . . . 119 N HB2 . 15545 1 1096 . 1 1 119 119 ASN HD21 H 1 7.108 . . . . . . . 119 N HD21 . 15545 1 1097 . 1 1 119 119 ASN HD22 H 1 7.738 . . . . . . . 119 N HD22 . 15545 1 1098 . 1 1 119 119 ASN C C 13 175.767 . . . . . . . 119 N C . 15545 1 1099 . 1 1 119 119 ASN CA C 13 55.229 . . . . . . . 119 N CA . 15545 1 1100 . 1 1 119 119 ASN CB C 13 40.007 . . . . . . . 119 N CB . 15545 1 1101 . 1 1 119 119 ASN N N 15 120.696 . . . . . . . 119 N N . 15545 1 1102 . 1 1 119 119 ASN ND2 N 15 114.830 . . . . . . . 119 N ND2 . 15545 1 1103 . 1 1 120 120 CYS H H 1 8.040 . . . . . . . 120 C HN . 15545 1 1104 . 1 1 120 120 CYS HA H 1 5.113 . . . . . . . 120 C HA . 15545 1 1105 . 1 1 120 120 CYS HB2 H 1 3.316 . . . . . . . 120 C HB1 . 15545 1 1106 . 1 1 120 120 CYS C C 13 176.836 . . . . . . . 120 C C . 15545 1 1107 . 1 1 120 120 CYS CA C 13 58.156 . . . . . . . 120 C CA . 15545 1 1108 . 1 1 120 120 CYS CB C 13 32.395 . . . . . . . 120 C CB . 15545 1 1109 . 1 1 120 120 CYS N N 15 116.438 . . . . . . . 120 C N . 15545 1 1110 . 1 1 121 121 GLY H H 1 8.164 . . . . . . . 121 G HN . 15545 1 1111 . 1 1 121 121 GLY HA2 H 1 4.019 . . . . . . . 121 G HA1 . 15545 1 1112 . 1 1 121 121 GLY HA3 H 1 3.910 . . . . . . . 121 G HA2 . 15545 1 1113 . 1 1 121 121 GLY C C 13 173.604 . . . . . . . 121 G C . 15545 1 1114 . 1 1 121 121 GLY CA C 13 46.447 . . . . . . . 121 G CA . 15545 1 1115 . 1 1 121 121 GLY N N 15 112.822 . . . . . . . 121 G N . 15545 1 1116 . 1 1 122 122 ARG H H 1 8.152 . . . . . . . 122 R HN . 15545 1 1117 . 1 1 122 122 ARG HA H 1 4.487 . . . . . . . 122 R HA . 15545 1 1118 . 1 1 122 122 ARG HB2 H 1 1.918 . . . . . . . 122 R HB1 . 15545 1 1119 . 1 1 122 122 ARG C C 13 175.260 . . . . . . . 122 R C . 15545 1 1120 . 1 1 122 122 ARG CA C 13 55.229 . . . . . . . 122 R CA . 15545 1 1121 . 1 1 122 122 ARG CB C 13 31.810 . . . . . . . 122 R CB . 15545 1 1122 . 1 1 122 122 ARG CD C 13 43.625 . . . . . . . 122 R CD . 15545 1 1123 . 1 1 122 122 ARG CG C 13 28.230 . . . . . . . 122 R CG . 15545 1 1124 . 1 1 122 122 ARG N N 15 119.505 . . . . . . . 122 R N . 15545 1 1125 . 1 1 123 123 ASN H H 1 8.565 . . . . . . . 123 N HN . 15545 1 1126 . 1 1 123 123 ASN HA H 1 4.956 . . . . . . . 123 N HA . 15545 1 1127 . 1 1 123 123 ASN HB2 H 1 2.969 . . . . . . . 123 N HB1 . 15545 1 1128 . 1 1 123 123 ASN HB3 H 1 2.718 . . . . . . . 123 N HB2 . 15545 1 1129 . 1 1 123 123 ASN HD21 H 1 6.803 . . . . . . . 123 N HD21 . 15545 1 1130 . 1 1 123 123 ASN HD22 H 1 7.472 . . . . . . . 123 N HD22 . 15545 1 1131 . 1 1 123 123 ASN C C 13 174.650 . . . . . . . 123 N C . 15545 1 1132 . 1 1 123 123 ASN CA C 13 53.473 . . . . . . . 123 N CA . 15545 1 1133 . 1 1 123 123 ASN CB C 13 38.836 . . . . . . . 123 N CB . 15545 1 1134 . 1 1 123 123 ASN N N 15 119.370 . . . . . . . 123 N N . 15545 1 1135 . 1 1 123 123 ASN ND2 N 15 112.206 . . . . . . . 123 N ND2 . 15545 1 1136 . 1 1 124 124 VAL H H 1 8.983 . . . . . . . 124 V HN . 15545 1 1137 . 1 1 124 124 VAL HA H 1 4.019 . . . . . . . 124 V HA . 15545 1 1138 . 1 1 124 124 VAL HB H 1 1.696 . . . . . . . 124 V HB . 15545 1 1139 . 1 1 124 124 VAL HG11 H 1 0.784 . . . . . . . 124 V HG11 . 15545 1 1140 . 1 1 124 124 VAL HG12 H 1 0.784 . . . . . . . 124 V HG11 . 15545 1 1141 . 1 1 124 124 VAL HG13 H 1 0.784 . . . . . . . 124 V HG11 . 15545 1 1142 . 1 1 124 124 VAL HG21 H 1 0.169 . . . . . . . 124 V HG21 . 15545 1 1143 . 1 1 124 124 VAL HG22 H 1 0.169 . . . . . . . 124 V HG21 . 15545 1 1144 . 1 1 124 124 VAL HG23 H 1 0.169 . . . . . . . 124 V HG21 . 15545 1 1145 . 1 1 124 124 VAL C C 13 175.352 . . . . . . . 124 V C . 15545 1 1146 . 1 1 124 124 VAL CA C 13 61.084 . . . . . . . 124 V CA . 15545 1 1147 . 1 1 124 124 VAL CB C 13 34.152 . . . . . . . 124 V CB . 15545 1 1148 . 1 1 124 124 VAL CG1 C 13 21.103 . . . . . . . 124 V CG1 . 15545 1 1149 . 1 1 124 124 VAL CG2 C 13 20.155 . . . . . . . 124 V CG2 . 15545 1 1150 . 1 1 124 124 VAL N N 15 127.180 . . . . . . . 124 V N . 15545 1 1151 . 1 1 125 125 LEU H H 1 8.761 . . . . . . . 125 L HN . 15545 1 1152 . 1 1 125 125 LEU HA H 1 4.644 . . . . . . . 125 L HA . 15545 1 1153 . 1 1 125 125 LEU HB2 H 1 2.232 . . . . . . . 125 L HB1 . 15545 1 1154 . 1 1 125 125 LEU HD11 H 1 0.864 . . . . . . . 125 L HD11 . 15545 1 1155 . 1 1 125 125 LEU HD12 H 1 0.864 . . . . . . . 125 L HD11 . 15545 1 1156 . 1 1 125 125 LEU HD13 H 1 0.864 . . . . . . . 125 L HD11 . 15545 1 1157 . 1 1 125 125 LEU HD21 H 1 0.144 . . . . . . . 125 L HD21 . 15545 1 1158 . 1 1 125 125 LEU HD22 H 1 0.144 . . . . . . . 125 L HD21 . 15545 1 1159 . 1 1 125 125 LEU HD23 H 1 0.144 . . . . . . . 125 L HD21 . 15545 1 1160 . 1 1 125 125 LEU C C 13 179.550 . . . . . . . 125 L C . 15545 1 1161 . 1 1 125 125 LEU CA C 13 55.229 . . . . . . . 125 L CA . 15545 1 1162 . 1 1 125 125 LEU CB C 13 41.763 . . . . . . . 125 L CB . 15545 1 1163 . 1 1 125 125 LEU CD1 C 13 25.972 . . . . . . . 125 L CD1 . 15545 1 1164 . 1 1 125 125 LEU CD2 C 13 24.248 . . . . . . . 125 L CD2 . 15545 1 1165 . 1 1 125 125 LEU CG C 13 27.758 . . . . . . . 125 L CG . 15545 1 1166 . 1 1 125 125 LEU N N 15 126.809 . . . . . . . 125 L N . 15545 1 1167 . 1 1 126 126 VAL H H 1 8.812 . . . . . . . 126 V HN . 15545 1 1168 . 1 1 126 126 VAL HA H 1 3.550 . . . . . . . 126 V HA . 15545 1 1169 . 1 1 126 126 VAL HB H 1 1.897 . . . . . . . 126 V HB . 15545 1 1170 . 1 1 126 126 VAL HG11 H 1 0.885 . . . . . . . 126 V HG11 . 15545 1 1171 . 1 1 126 126 VAL HG12 H 1 0.885 . . . . . . . 126 V HG11 . 15545 1 1172 . 1 1 126 126 VAL HG13 H 1 0.885 . . . . . . . 126 V HG11 . 15545 1 1173 . 1 1 126 126 VAL HG21 H 1 0.881 . . . . . . . 126 V HG21 . 15545 1 1174 . 1 1 126 126 VAL HG22 H 1 0.881 . . . . . . . 126 V HG21 . 15545 1 1175 . 1 1 126 126 VAL HG23 H 1 0.881 . . . . . . . 126 V HG21 . 15545 1 1176 . 1 1 126 126 VAL C C 13 179.634 . . . . . . . 126 V C . 15545 1 1177 . 1 1 126 126 VAL CA C 13 66.353 . . . . . . . 126 V CA . 15545 1 1178 . 1 1 126 126 VAL CB C 13 31.224 . . . . . . . 126 V CB . 15545 1 1179 . 1 1 126 126 VAL CG1 C 13 24.015 . . . . . . . 126 V CG1 . 15545 1 1180 . 1 1 126 126 VAL CG2 C 13 21.746 . . . . . . . 126 V CG2 . 15545 1 1181 . 1 1 126 126 VAL N N 15 124.706 . . . . . . . 126 V N . 15545 1 1182 . 1 1 127 127 LYS H H 1 8.732 . . . . . . . 127 K HN . 15545 1 1183 . 1 1 127 127 LYS HA H 1 4.331 . . . . . . . 127 K HA . 15545 1 1184 . 1 1 127 127 LYS HB2 H 1 2.010 . . . . . . . 127 K HB1 . 15545 1 1185 . 1 1 127 127 LYS HB3 H 1 1.586 . . . . . . . 127 K HB2 . 15545 1 1186 . 1 1 127 127 LYS HD2 H 1 1.665 . . . . . . . 127 K HD1 . 15545 1 1187 . 1 1 127 127 LYS HD3 H 1 1.627 . . . . . . . 127 K HD2 . 15545 1 1188 . 1 1 127 127 LYS HE2 H 1 2.989 . . . . . . . 127 K HE2 . 15545 1 1189 . 1 1 127 127 LYS C C 13 176.321 . . . . . . . 127 K C . 15545 1 1190 . 1 1 127 127 LYS CA C 13 58.156 . . . . . . . 127 K CA . 15545 1 1191 . 1 1 127 127 LYS CB C 13 31.224 . . . . . . . 127 K CB . 15545 1 1192 . 1 1 127 127 LYS CD C 13 29.430 . . . . . . . 127 K CD . 15545 1 1193 . 1 1 127 127 LYS CE C 13 42.103 . . . . . . . 127 K CE . 15545 1 1194 . 1 1 127 127 LYS CG C 13 23.292 . . . . . . . 127 K CG . 15545 1 1195 . 1 1 127 127 LYS N N 15 116.866 . . . . . . . 127 K N . 15545 1 1196 . 1 1 128 128 ASP H H 1 8.058 . . . . . . . 128 D HN . 15545 1 1197 . 1 1 128 128 ASP HA H 1 5.113 . . . . . . . 128 D HA . 15545 1 1198 . 1 1 128 128 ASP HB2 H 1 3.085 . . . . . . . 128 D HB1 . 15545 1 1199 . 1 1 128 128 ASP HB3 H 1 2.740 . . . . . . . 128 D HB2 . 15545 1 1200 . 1 1 128 128 ASP C C 13 177.285 . . . . . . . 128 D C . 15545 1 1201 . 1 1 128 128 ASP CA C 13 54.643 . . . . . . . 128 D CA . 15545 1 1202 . 1 1 128 128 ASP CB C 13 42.348 . . . . . . . 128 D CB . 15545 1 1203 . 1 1 128 128 ASP N N 15 120.296 . . . . . . . 128 D N . 15545 1 1204 . 1 1 129 129 LEU H H 1 7.759 . . . . . . . 129 L HN . 15545 1 1205 . 1 1 129 129 LEU HA H 1 4.019 . . . . . . . 129 L HA . 15545 1 1206 . 1 1 129 129 LEU HB2 H 1 1.950 . . . . . . . 129 L HB1 . 15545 1 1207 . 1 1 129 129 LEU HB3 H 1 1.676 . . . . . . . 129 L HB2 . 15545 1 1208 . 1 1 129 129 LEU C C 13 179.733 . . . . . . . 129 L C . 15545 1 1209 . 1 1 129 129 LEU CA C 13 59.327 . . . . . . . 129 L CA . 15545 1 1210 . 1 1 129 129 LEU CB C 13 42.348 . . . . . . . 129 L CB . 15545 1 1211 . 1 1 129 129 LEU CD1 C 13 25.738 . . . . . . . 129 L CD1 . 15545 1 1212 . 1 1 129 129 LEU CD2 C 13 23.397 . . . . . . . 129 L CD2 . 15545 1 1213 . 1 1 129 129 LEU CG C 13 28.350 . . . . . . . 129 L CG . 15545 1 1214 . 1 1 129 129 LEU N N 15 122.240 . . . . . . . 129 L N . 15545 1 1215 . 1 1 130 130 LYS H H 1 8.528 . . . . . . . 130 K HN . 15545 1 1216 . 1 1 130 130 LYS HA H 1 4.331 . . . . . . . 130 K HA . 15545 1 1217 . 1 1 130 130 LYS HB2 H 1 2.057 . . . . . . . 130 K HB1 . 15545 1 1218 . 1 1 130 130 LYS HB3 H 1 1.873 . . . . . . . 130 K HB2 . 15545 1 1219 . 1 1 130 130 LYS C C 13 178.376 . . . . . . . 130 K C . 15545 1 1220 . 1 1 130 130 LYS CA C 13 59.327 . . . . . . . 130 K CA . 15545 1 1221 . 1 1 130 130 LYS CB C 13 32.395 . . . . . . . 130 K CB . 15545 1 1222 . 1 1 130 130 LYS CD C 13 29.282 . . . . . . . 130 K CD . 15545 1 1223 . 1 1 130 130 LYS CE C 13 42.428 . . . . . . . 130 K CE . 15545 1 1224 . 1 1 130 130 LYS CG C 13 25.644 . . . . . . . 130 K CG . 15545 1 1225 . 1 1 130 130 LYS N N 15 116.000 . . . . . . . 130 K N . 15545 1 1226 . 1 1 131 131 THR H H 1 7.509 . . . . . . . 131 T HN . 15545 1 1227 . 1 1 131 131 THR HA H 1 4.527 . . . . . . . 131 T HA . 15545 1 1228 . 1 1 131 131 THR HB H 1 4.584 . . . . . . . 131 T HB . 15545 1 1229 . 1 1 131 131 THR CG2 C 13 22.304 . . . . . . . 131 T CG2 . 15545 1 1230 . 1 1 131 131 THR HG21 H 1 1.292 . . . . . . . 131 T HG21 . 15545 1 1231 . 1 1 131 131 THR HG22 H 1 1.292 . . . . . . . 131 T HG21 . 15545 1 1232 . 1 1 131 131 THR HG23 H 1 1.292 . . . . . . . 131 T HG21 . 15545 1 1233 . 1 1 131 131 THR C C 13 175.470 . . . . . . . 131 T C . 15545 1 1234 . 1 1 131 131 THR CA C 13 61.669 . . . . . . . 131 T CA . 15545 1 1235 . 1 1 131 131 THR CB C 13 69.295 . . . . . . . 131 T CB . 15545 1 1236 . 1 1 131 131 THR N N 15 106.7 . . . . . . . 131 T N . 15545 1 1237 . 1 1 132 132 HIS H H 1 8.134 . . . . . . . 132 H HN . 15545 1 1238 . 1 1 132 132 HIS HA H 1 4.487 . . . . . . . 132 H HA . 15545 1 1239 . 1 1 132 132 HIS CA C 13 60.499 . . . . . . . 132 H CA . 15545 1 1240 . 1 1 132 132 HIS CB C 13 27.127 . . . . . . . 132 H CB . 15545 1 1241 . 1 1 132 132 HIS N N 15 123.133 . . . . . . . 132 H N . 15545 1 1242 . 1 1 133 133 PRO HA H 1 4.235 . . . . . . . 133 P HA . 15545 1 1243 . 1 1 133 133 PRO HB2 H 1 2.465 . . . . . . . 133 P HB1 . 15545 1 1244 . 1 1 133 133 PRO HB3 H 1 1.857 . . . . . . . 133 P HB2 . 15545 1 1245 . 1 1 133 133 PRO HG2 H 1 1.894 . . . . . . . 133 P HG2 . 15545 1 1246 . 1 1 133 133 PRO C C 13 177.545 . . . . . . . 133 P C . 15545 1 1247 . 1 1 133 133 PRO CA C 13 66.353 . . . . . . . 133 P CA . 15545 1 1248 . 1 1 133 133 PRO CB C 13 31.224 . . . . . . . 133 P CB . 15545 1 1249 . 1 1 133 133 PRO CD C 13 51.196 . . . . . . . 133 P CD . 15545 1 1250 . 1 1 133 133 PRO CG C 13 28.818 . . . . . . . 133 P CG . 15545 1 1251 . 1 1 134 134 GLU H H 1 7.756 . . . . . . . 134 E HN . 15545 1 1252 . 1 1 134 134 GLU HA H 1 4.175 . . . . . . . 134 E HA . 15545 1 1253 . 1 1 134 134 GLU HB2 H 1 2.201 . . . . . . . 134 E HB1 . 15545 1 1254 . 1 1 134 134 GLU C C 13 177.650 . . . . . . . 134 E C . 15545 1 1255 . 1 1 134 134 GLU CA C 13 58.742 . . . . . . . 134 E CA . 15545 1 1256 . 1 1 134 134 GLU CB C 13 30.053 . . . . . . . 134 E CB . 15545 1 1257 . 1 1 134 134 GLU CG C 13 36.501 . . . . . . . 134 E CG . 15545 1 1258 . 1 1 134 134 GLU N N 15 113.400 . . . . . . . 134 E N . 15545 1 1259 . 1 1 135 135 VAL H H 1 7.541 . . . . . . . 135 V HN . 15545 1 1260 . 1 1 135 135 VAL HA H 1 4.487 . . . . . . . 135 V HA . 15545 1 1261 . 1 1 135 135 VAL HB H 1 2.369 . . . . . . . 135 V HB . 15545 1 1262 . 1 1 135 135 VAL HG11 H 1 0.905 . . . . . . . 135 V HG11 . 15545 1 1263 . 1 1 135 135 VAL HG12 H 1 0.905 . . . . . . . 135 V HG11 . 15545 1 1264 . 1 1 135 135 VAL HG13 H 1 0.905 . . . . . . . 135 V HG11 . 15545 1 1265 . 1 1 135 135 VAL HG21 H 1 0.896 . . . . . . . 135 V HG21 . 15545 1 1266 . 1 1 135 135 VAL HG22 H 1 0.896 . . . . . . . 135 V HG21 . 15545 1 1267 . 1 1 135 135 VAL HG23 H 1 0.896 . . . . . . . 135 V HG21 . 15545 1 1268 . 1 1 135 135 VAL C C 13 175.051 . . . . . . . 135 V C . 15545 1 1269 . 1 1 135 135 VAL CA C 13 60.498 . . . . . . . 135 V CA . 15545 1 1270 . 1 1 135 135 VAL CB C 13 32.981 . . . . . . . 135 V CB . 15545 1 1271 . 1 1 135 135 VAL CG1 C 13 21.577 . . . . . . . 135 V CG1 . 15545 1 1272 . 1 1 135 135 VAL CG2 C 13 19.081 . . . . . . . 135 V CG2 . 15545 1 1273 . 1 1 135 135 VAL N N 15 109.183 . . . . . . . 135 V N . 15545 1 1274 . 1 1 136 136 CYS H H 1 7.229 . . . . . . . 136 C HN . 15545 1 1275 . 1 1 136 136 CYS HA H 1 3.627 . . . . . . . 136 C HA . 15545 1 1276 . 1 1 136 136 CYS HB2 H 1 2.575 . . . . . . . 136 C HB1 . 15545 1 1277 . 1 1 136 136 CYS HB3 H 1 2.172 . . . . . . . 136 C HB2 . 15545 1 1278 . 1 1 136 136 CYS C C 13 176.688 . . . . . . . 136 C C . 15545 1 1279 . 1 1 136 136 CYS CA C 13 61.669 . . . . . . . 136 C CA . 15545 1 1280 . 1 1 136 136 CYS CB C 13 28.883 . . . . . . . 136 C CB . 15545 1 1281 . 1 1 136 136 CYS N N 15 126.188 . . . . . . . 136 C N . 15545 1 1282 . 1 1 137 137 GLY H H 1 8.952 . . . . . . . 137 G HN . 15545 1 1283 . 1 1 137 137 GLY HA2 H 1 4.331 . . . . . . . 137 G HA1 . 15545 1 1284 . 1 1 137 137 GLY HA3 H 1 3.862 . . . . . . . 137 G HA2 . 15545 1 1285 . 1 1 137 137 GLY C C 13 174.765 . . . . . . . 137 G C . 15545 1 1286 . 1 1 137 137 GLY CA C 13 45.861 . . . . . . . 137 G CA . 15545 1 1287 . 1 1 137 137 GLY N N 15 117.049 . . . . . . . 137 G N . 15545 1 1288 . 1 1 138 138 ARG H H 1 8.189 . . . . . . . 138 R HN . 15545 1 1289 . 1 1 138 138 ARG HA H 1 4.487 . . . . . . . 138 R HA . 15545 1 1290 . 1 1 138 138 ARG HB2 H 1 1.994 . . . . . . . 138 R HB1 . 15545 1 1291 . 1 1 138 138 ARG HB3 H 1 1.769 . . . . . . . 138 R HB2 . 15545 1 1292 . 1 1 138 138 ARG C C 13 176.368 . . . . . . . 138 R C . 15545 1 1293 . 1 1 138 138 ARG CA C 13 55.814 . . . . . . . 138 R CA . 15545 1 1294 . 1 1 138 138 ARG CB C 13 30.639 . . . . . . . 138 R CB . 15545 1 1295 . 1 1 138 138 ARG CD C 13 43.644 . . . . . . . 138 R CD . 15545 1 1296 . 1 1 138 138 ARG CG C 13 27.156 . . . . . . . 138 R CG . 15545 1 1297 . 1 1 138 138 ARG N N 15 120.457 . . . . . . . 138 R N . 15545 1 1298 . 1 1 139 139 GLU H H 1 8.544 . . . . . . . 139 E HN . 15545 1 1299 . 1 1 139 139 GLU HA H 1 4.487 . . . . . . . 139 E HA . 15545 1 1300 . 1 1 139 139 GLU HB2 H 1 2.088 . . . . . . . 139 E HB1 . 15545 1 1301 . 1 1 139 139 GLU C C 13 176.931 . . . . . . . 139 E C . 15545 1 1302 . 1 1 139 139 GLU CA C 13 56.985 . . . . . . . 139 E CA . 15545 1 1303 . 1 1 139 139 GLU CB C 13 30.639 . . . . . . . 139 E CB . 15545 1 1304 . 1 1 139 139 GLU CG C 13 36.862 . . . . . . . 139 E CG . 15545 1 1305 . 1 1 139 139 GLU N N 15 121.891 . . . . . . . 139 E N . 15545 1 1306 . 1 1 140 140 GLY H H 1 8.504 . . . . . . . 140 G HN . 15545 1 1307 . 1 1 140 140 GLY HA2 H 1 4.019 . . . . . . . 140 G HA1 . 15545 1 1308 . 1 1 140 140 GLY C C 13 173.208 . . . . . . . 140 G C . 15545 1 1309 . 1 1 140 140 GLY CA C 13 45.276 . . . . . . . 140 G CA . 15545 1 1310 . 1 1 140 140 GLY N N 15 110.585 . . . . . . . 140 G N . 15545 1 1311 . 1 1 141 141 GLU H H 1 7.956 . . . . . . . 141 E HN . 15545 1 1312 . 1 1 141 141 GLU HA H 1 4.175 . . . . . . . 141 E HA . 15545 1 1313 . 1 1 141 141 GLU CA C 13 58.157 . . . . . . . 141 E CA . 15545 1 1314 . 1 1 141 141 GLU CB C 13 31.225 . . . . . . . 141 E CB . 15545 1 1315 . 1 1 141 141 GLU N N 15 125.711 . . . . . . . 141 E N . 15545 1 stop_ save_