data_18904 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18904 _Entry.Title ; NMR solution structure of the two domain PPIase SlpA from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-17 _Entry.Accession_date 2012-12-17 _Entry.Last_release_date 2013-12-16 _Entry.Original_release_date 2013-12-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Kovermann . . . 18904 2 Ulrich Weininger . . . 18904 3 Jochen Balbach . . . 18904 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18904 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'FKBP fold' . 18904 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18904 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 466 18904 '15N chemical shifts' 151 18904 '1H chemical shifts' 1028 18904 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-12-16 2012-12-17 original author . 18904 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18904 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR solution structure of the two domain PPIase SlpA from Escherichia coli' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Michael Kovermann . . . 18904 1 2 Anne-Juliane Geitner . . . 18904 1 3 Ulrich Weininger . . . 18904 1 4 Franz-Xaver Schmid . . . 18904 1 5 Jochen Balbach . . . 18904 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18904 _Assembly.ID 1 _Assembly.Name 'two domain PPIase SlpA from Escherichia coli' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PPIase_SlpA 1 $PPIase_SlpA A . yes native no no . . . 18904 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PPIase_SlpA _Entity.Sf_category entity _Entity.Sf_framecode PPIase_SlpA _Entity.Entry_ID 18904 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PPIase_SlpA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSESVQSNSAVLVHFTLKLD DGTTAESTRNNGKPALFRLG DASLSEGLEQHLLGLKVGDK TTFSLEPDAAFGVPSPDLIQ YFSRREFMDAGEPEIGAIML FTAMDGSEMPGVIREINGDS ITVDFNHPLAGQTVHFDIEV LEIDPALE ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16022.982 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M2A . "Nmr Solution Structure Of The Two Domain Ppiase Slpa From Escherichia Coli" . . . . . 100.00 148 100.00 100.00 4.44e-101 . . . . 18904 1 2 no PDB 4DT4 . "Crystal Structure Of The Ppiase-Chaperone Slpa With The Chaperone Binding Site Occupied By The Linker Of The Purification Tag" . . . . . 100.00 169 100.00 100.00 8.91e-101 . . . . 18904 1 3 no DBJ BAB33454 . "putative FKBX-type 16KD peptidyl-prolyl cis-trans isomerase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 4 no DBJ BAB96597 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 5 no DBJ BAG75550 . "peptidyl-prolyl cis-trans isomerase [Escherichia coli SE11]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 6 no DBJ BAI23389 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 7 no DBJ BAI28909 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 8 no EMBL CAA38706 . "ORF 1 [Escherichia coli K-12]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 9 no EMBL CAP74597 . "FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase [Escherichia coli LF82]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 10 no EMBL CAQ30548 . "peptidylprolyl isomerase [Escherichia coli BL21(DE3)]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 11 no EMBL CAQ87608 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 12 no EMBL CAQ96919 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli IAI1]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 13 no GB AAC73139 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 14 no GB AAG54330 . "probable FKBX-type 16KD peptidyl-prolyl cis-trans isomerase (a rotamase) [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 15 no GB AAN41690 . "probable FKBX-type 16kD peptidyl-prolyl cis-trans isomerase (a rotamase) [Shigella flexneri 2a str. 301]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 16 no GB AAN41691 . "probable FKBX-type 16kD peptidyl-prolyl cis-trans isomerase (a rotamase) [Shigella flexneri 2a str. 301]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 17 no GB AAN78532 . "FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase [Escherichia coli CFT073]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 18 no REF NP_308058 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 19 no REF NP_414569 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 20 no REF NP_705983 . "FKBP-type peptidylprolyl isomerase [Shigella flexneri 2a str. 301]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 21 no REF NP_705984 . "FKBP-type peptidylprolyl isomerase [Shigella flexneri 2a str. 301]" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 22 no REF WP_000004647 . "MULTISPECIES: peptidyl-prolyl cis-trans isomerase [Escherichia]" . . . . . 100.00 149 99.32 100.00 6.51e-101 . . . . 18904 1 23 no SP P0AEM0 . "RecName: Full=FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Rotamase" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 24 no SP P0AEM1 . "RecName: Full=FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Rotamase" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 25 no SP P0AEM2 . "RecName: Full=FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Rotamase" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 26 no SP P0AEM3 . "RecName: Full=FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Rotamase" . . . . . 100.00 149 100.00 100.00 4.20e-101 . . . . 18904 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18904 1 2 . SER . 18904 1 3 . GLU . 18904 1 4 . SER . 18904 1 5 . VAL . 18904 1 6 . GLN . 18904 1 7 . SER . 18904 1 8 . ASN . 18904 1 9 . SER . 18904 1 10 . ALA . 18904 1 11 . VAL . 18904 1 12 . LEU . 18904 1 13 . VAL . 18904 1 14 . HIS . 18904 1 15 . PHE . 18904 1 16 . THR . 18904 1 17 . LEU . 18904 1 18 . LYS . 18904 1 19 . LEU . 18904 1 20 . ASP . 18904 1 21 . ASP . 18904 1 22 . GLY . 18904 1 23 . THR . 18904 1 24 . THR . 18904 1 25 . ALA . 18904 1 26 . GLU . 18904 1 27 . SER . 18904 1 28 . THR . 18904 1 29 . ARG . 18904 1 30 . ASN . 18904 1 31 . ASN . 18904 1 32 . GLY . 18904 1 33 . LYS . 18904 1 34 . PRO . 18904 1 35 . ALA . 18904 1 36 . LEU . 18904 1 37 . PHE . 18904 1 38 . ARG . 18904 1 39 . LEU . 18904 1 40 . GLY . 18904 1 41 . ASP . 18904 1 42 . ALA . 18904 1 43 . SER . 18904 1 44 . LEU . 18904 1 45 . SER . 18904 1 46 . GLU . 18904 1 47 . GLY . 18904 1 48 . LEU . 18904 1 49 . GLU . 18904 1 50 . GLN . 18904 1 51 . HIS . 18904 1 52 . LEU . 18904 1 53 . LEU . 18904 1 54 . GLY . 18904 1 55 . LEU . 18904 1 56 . LYS . 18904 1 57 . VAL . 18904 1 58 . GLY . 18904 1 59 . ASP . 18904 1 60 . LYS . 18904 1 61 . THR . 18904 1 62 . THR . 18904 1 63 . PHE . 18904 1 64 . SER . 18904 1 65 . LEU . 18904 1 66 . GLU . 18904 1 67 . PRO . 18904 1 68 . ASP . 18904 1 69 . ALA . 18904 1 70 . ALA . 18904 1 71 . PHE . 18904 1 72 . GLY . 18904 1 73 . VAL . 18904 1 74 . PRO . 18904 1 75 . SER . 18904 1 76 . PRO . 18904 1 77 . ASP . 18904 1 78 . LEU . 18904 1 79 . ILE . 18904 1 80 . GLN . 18904 1 81 . TYR . 18904 1 82 . PHE . 18904 1 83 . SER . 18904 1 84 . ARG . 18904 1 85 . ARG . 18904 1 86 . GLU . 18904 1 87 . PHE . 18904 1 88 . MET . 18904 1 89 . ASP . 18904 1 90 . ALA . 18904 1 91 . GLY . 18904 1 92 . GLU . 18904 1 93 . PRO . 18904 1 94 . GLU . 18904 1 95 . ILE . 18904 1 96 . GLY . 18904 1 97 . ALA . 18904 1 98 . ILE . 18904 1 99 . MET . 18904 1 100 . LEU . 18904 1 101 . PHE . 18904 1 102 . THR . 18904 1 103 . ALA . 18904 1 104 . MET . 18904 1 105 . ASP . 18904 1 106 . GLY . 18904 1 107 . SER . 18904 1 108 . GLU . 18904 1 109 . MET . 18904 1 110 . PRO . 18904 1 111 . GLY . 18904 1 112 . VAL . 18904 1 113 . ILE . 18904 1 114 . ARG . 18904 1 115 . GLU . 18904 1 116 . ILE . 18904 1 117 . ASN . 18904 1 118 . GLY . 18904 1 119 . ASP . 18904 1 120 . SER . 18904 1 121 . ILE . 18904 1 122 . THR . 18904 1 123 . VAL . 18904 1 124 . ASP . 18904 1 125 . PHE . 18904 1 126 . ASN . 18904 1 127 . HIS . 18904 1 128 . PRO . 18904 1 129 . LEU . 18904 1 130 . ALA . 18904 1 131 . GLY . 18904 1 132 . GLN . 18904 1 133 . THR . 18904 1 134 . VAL . 18904 1 135 . HIS . 18904 1 136 . PHE . 18904 1 137 . ASP . 18904 1 138 . ILE . 18904 1 139 . GLU . 18904 1 140 . VAL . 18904 1 141 . LEU . 18904 1 142 . GLU . 18904 1 143 . ILE . 18904 1 144 . ASP . 18904 1 145 . PRO . 18904 1 146 . ALA . 18904 1 147 . LEU . 18904 1 148 . GLU . 18904 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18904 1 . SER 2 2 18904 1 . GLU 3 3 18904 1 . SER 4 4 18904 1 . VAL 5 5 18904 1 . GLN 6 6 18904 1 . SER 7 7 18904 1 . ASN 8 8 18904 1 . SER 9 9 18904 1 . ALA 10 10 18904 1 . VAL 11 11 18904 1 . LEU 12 12 18904 1 . VAL 13 13 18904 1 . HIS 14 14 18904 1 . PHE 15 15 18904 1 . THR 16 16 18904 1 . LEU 17 17 18904 1 . LYS 18 18 18904 1 . LEU 19 19 18904 1 . ASP 20 20 18904 1 . ASP 21 21 18904 1 . GLY 22 22 18904 1 . THR 23 23 18904 1 . THR 24 24 18904 1 . ALA 25 25 18904 1 . GLU 26 26 18904 1 . SER 27 27 18904 1 . THR 28 28 18904 1 . ARG 29 29 18904 1 . ASN 30 30 18904 1 . ASN 31 31 18904 1 . GLY 32 32 18904 1 . LYS 33 33 18904 1 . PRO 34 34 18904 1 . ALA 35 35 18904 1 . LEU 36 36 18904 1 . PHE 37 37 18904 1 . ARG 38 38 18904 1 . LEU 39 39 18904 1 . GLY 40 40 18904 1 . ASP 41 41 18904 1 . ALA 42 42 18904 1 . SER 43 43 18904 1 . LEU 44 44 18904 1 . SER 45 45 18904 1 . GLU 46 46 18904 1 . GLY 47 47 18904 1 . LEU 48 48 18904 1 . GLU 49 49 18904 1 . GLN 50 50 18904 1 . HIS 51 51 18904 1 . LEU 52 52 18904 1 . LEU 53 53 18904 1 . GLY 54 54 18904 1 . LEU 55 55 18904 1 . LYS 56 56 18904 1 . VAL 57 57 18904 1 . GLY 58 58 18904 1 . ASP 59 59 18904 1 . LYS 60 60 18904 1 . THR 61 61 18904 1 . THR 62 62 18904 1 . PHE 63 63 18904 1 . SER 64 64 18904 1 . LEU 65 65 18904 1 . GLU 66 66 18904 1 . PRO 67 67 18904 1 . ASP 68 68 18904 1 . ALA 69 69 18904 1 . ALA 70 70 18904 1 . PHE 71 71 18904 1 . GLY 72 72 18904 1 . VAL 73 73 18904 1 . PRO 74 74 18904 1 . SER 75 75 18904 1 . PRO 76 76 18904 1 . ASP 77 77 18904 1 . LEU 78 78 18904 1 . ILE 79 79 18904 1 . GLN 80 80 18904 1 . TYR 81 81 18904 1 . PHE 82 82 18904 1 . SER 83 83 18904 1 . ARG 84 84 18904 1 . ARG 85 85 18904 1 . GLU 86 86 18904 1 . PHE 87 87 18904 1 . MET 88 88 18904 1 . ASP 89 89 18904 1 . ALA 90 90 18904 1 . GLY 91 91 18904 1 . GLU 92 92 18904 1 . PRO 93 93 18904 1 . GLU 94 94 18904 1 . ILE 95 95 18904 1 . GLY 96 96 18904 1 . ALA 97 97 18904 1 . ILE 98 98 18904 1 . MET 99 99 18904 1 . LEU 100 100 18904 1 . PHE 101 101 18904 1 . THR 102 102 18904 1 . ALA 103 103 18904 1 . MET 104 104 18904 1 . ASP 105 105 18904 1 . GLY 106 106 18904 1 . SER 107 107 18904 1 . GLU 108 108 18904 1 . MET 109 109 18904 1 . PRO 110 110 18904 1 . GLY 111 111 18904 1 . VAL 112 112 18904 1 . ILE 113 113 18904 1 . ARG 114 114 18904 1 . GLU 115 115 18904 1 . ILE 116 116 18904 1 . ASN 117 117 18904 1 . GLY 118 118 18904 1 . ASP 119 119 18904 1 . SER 120 120 18904 1 . ILE 121 121 18904 1 . THR 122 122 18904 1 . VAL 123 123 18904 1 . ASP 124 124 18904 1 . PHE 125 125 18904 1 . ASN 126 126 18904 1 . HIS 127 127 18904 1 . PRO 128 128 18904 1 . LEU 129 129 18904 1 . ALA 130 130 18904 1 . GLY 131 131 18904 1 . GLN 132 132 18904 1 . THR 133 133 18904 1 . VAL 134 134 18904 1 . HIS 135 135 18904 1 . PHE 136 136 18904 1 . ASP 137 137 18904 1 . ILE 138 138 18904 1 . GLU 139 139 18904 1 . VAL 140 140 18904 1 . LEU 141 141 18904 1 . GLU 142 142 18904 1 . ILE 143 143 18904 1 . ASP 144 144 18904 1 . PRO 145 145 18904 1 . ALA 146 146 18904 1 . LEU 147 147 18904 1 . GLU 148 148 18904 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18904 _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 $PPIase_SlpA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18904 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 18904 _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 $PPIase_SlpA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'not applicable' . . . . . . 18904 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18904 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 PPIase_SlpA '[U-99% 13C; U-99% 15N]' . . 1 $PPIase_SlpA . . 1 . . mM . . . . 18904 1 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 18904 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18904 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18904 1 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 18904 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18904 1 pH 7.5 . pH 18904 1 pressure 1 . atm 18904 1 temperature 298 . K 18904 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18904 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18904 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18904 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18904 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18904 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18904 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18904 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18904 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18904 3 'data analysis' 18904 3 'peak picking' 18904 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18904 _Software.ID 4 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18904 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18904 4 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 18904 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18904 _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 . 800 . . . 18904 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 18904 _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 . . . . . . . . . . . . . . . . 18904 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18904 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18904 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18904 1 5 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18904 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18904 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18904 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18904 1 9 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18904 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18904 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 18904 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18904 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 18904 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18904 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 18904 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.02 _Assigned_chem_shift_list.Chem_shift_15N_err 0.02 _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 7 '3D HNCA' . . . 18904 1 8 '3D HNCACB' . . . 18904 1 10 '3D HCCH-TOCSY' . . . 18904 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 7.7812 0.01 . . . . . A 2 SER H . 18904 1 2 . 1 1 2 2 SER HA H 1 4.367 0.01 . . . . . A 2 SER HA . 18904 1 3 . 1 1 2 2 SER HB2 H 1 3.906 0.01 . . . . . A 2 SER HB2 . 18904 1 4 . 1 1 2 2 SER HB3 H 1 3.789 0.01 . . . . . A 2 SER HB3 . 18904 1 5 . 1 1 2 2 SER CB C 13 63.355 0.01 . . . . . A 2 SER CB . 18904 1 6 . 1 1 3 3 GLU H H 1 8.005 0.01 . . . . . A 3 GLU H . 18904 1 7 . 1 1 3 3 GLU HA H 1 4.216 0.01 . . . . . A 3 GLU HA . 18904 1 8 . 1 1 3 3 GLU HB2 H 1 1.994 0.01 . . . . . A 3 GLU HB2 . 18904 1 9 . 1 1 3 3 GLU HB3 H 1 1.866 0.01 . . . . . A 3 GLU HB3 . 18904 1 10 . 1 1 3 3 GLU HG2 H 1 2.32 0.01 . . . . . A 3 GLU HG2 . 18904 1 11 . 1 1 3 3 GLU HG3 H 1 2.176 0.01 . . . . . A 3 GLU HG3 . 18904 1 12 . 1 1 3 3 GLU CA C 13 57.245 0.01 . . . . . A 3 GLU CA . 18904 1 13 . 1 1 3 3 GLU CB C 13 30.683 0.01 . . . . . A 3 GLU CB . 18904 1 14 . 1 1 4 4 SER H H 1 7.765 0.01 . . . . . A 4 SER H . 18904 1 15 . 1 1 4 4 SER HA H 1 4.971 0.01 . . . . . A 4 SER HA . 18904 1 16 . 1 1 4 4 SER HB2 H 1 3.426 0.01 . . . . . A 4 SER HB2 . 18904 1 17 . 1 1 4 4 SER HB3 H 1 3.326 0.01 . . . . . A 4 SER HB3 . 18904 1 18 . 1 1 4 4 SER CA C 13 56.265 0.01 . . . . . A 4 SER CA . 18904 1 19 . 1 1 4 4 SER CB C 13 66.752 0.01 . . . . . A 4 SER CB . 18904 1 20 . 1 1 4 4 SER N N 15 112.627 0.01 . . . . . A 4 SER N . 18904 1 21 . 1 1 5 5 VAL H H 1 8.967 0.01 . . . . . A 5 VAL H . 18904 1 22 . 1 1 5 5 VAL HA H 1 3.326 0.01 . . . . . A 5 VAL HA . 18904 1 23 . 1 1 5 5 VAL HB H 1 2.292 0.01 . . . . . A 5 VAL HB . 18904 1 24 . 1 1 5 5 VAL HG11 H 1 0.817 0.01 . . . . . A 5 VAL HG11 . 18904 1 25 . 1 1 5 5 VAL HG12 H 1 0.817 0.01 . . . . . A 5 VAL HG12 . 18904 1 26 . 1 1 5 5 VAL HG13 H 1 0.817 0.01 . . . . . A 5 VAL HG13 . 18904 1 27 . 1 1 5 5 VAL HG21 H 1 0.694 0.01 . . . . . A 5 VAL HG21 . 18904 1 28 . 1 1 5 5 VAL HG22 H 1 0.694 0.01 . . . . . A 5 VAL HG22 . 18904 1 29 . 1 1 5 5 VAL HG23 H 1 0.694 0.01 . . . . . A 5 VAL HG23 . 18904 1 30 . 1 1 5 5 VAL CA C 13 65.806 0.01 . . . . . A 5 VAL CA . 18904 1 31 . 1 1 5 5 VAL CB C 13 31.867 0.01 . . . . . A 5 VAL CB . 18904 1 32 . 1 1 5 5 VAL CG1 C 13 22.944 0.01 . . . . . A 5 VAL CG1 . 18904 1 33 . 1 1 5 5 VAL CG2 C 13 18.291 0.01 . . . . . A 5 VAL CG2 . 18904 1 34 . 1 1 5 5 VAL N N 15 122.697 0.01 . . . . . A 5 VAL N . 18904 1 35 . 1 1 6 6 GLN H H 1 9.138 0.01 . . . . . A 6 GLN H . 18904 1 36 . 1 1 6 6 GLN HA H 1 4.417 0.01 . . . . . A 6 GLN HA . 18904 1 37 . 1 1 6 6 GLN HB2 H 1 1.908 0.01 . . . . . A 6 GLN HB2 . 18904 1 38 . 1 1 6 6 GLN HB3 H 1 1.908 0.01 . . . . . A 6 GLN HB3 . 18904 1 39 . 1 1 6 6 GLN HG2 H 1 2.318 0.01 . . . . . A 6 GLN HG2 . 18904 1 40 . 1 1 6 6 GLN HG3 H 1 2.257 0.01 . . . . . A 6 GLN HG3 . 18904 1 41 . 1 1 6 6 GLN HE21 H 1 6.667 0.01 . . . . . A 6 GLN HE21 . 18904 1 42 . 1 1 6 6 GLN HE22 H 1 7.113 0.01 . . . . . A 6 GLN HE22 . 18904 1 43 . 1 1 6 6 GLN CA C 13 54.007 0.01 . . . . . A 6 GLN CA . 18904 1 44 . 1 1 6 6 GLN CB C 13 31.648 0.01 . . . . . A 6 GLN CB . 18904 1 45 . 1 1 6 6 GLN CG C 13 33.728 0.01 . . . . . A 6 GLN CG . 18904 1 46 . 1 1 6 6 GLN N N 15 130.084 0.01 . . . . . A 6 GLN N . 18904 1 47 . 1 1 6 6 GLN NE2 N 15 114.955 0.01 . . . . . A 6 GLN NE2 . 18904 1 48 . 1 1 7 7 SER H H 1 8.28 0.01 . . . . . A 7 SER H . 18904 1 49 . 1 1 7 7 SER HA H 1 3.698 0.01 . . . . . A 7 SER HA . 18904 1 50 . 1 1 7 7 SER HB2 H 1 3.79 0.01 . . . . . A 7 SER HB2 . 18904 1 51 . 1 1 7 7 SER HB3 H 1 3.694 0.01 . . . . . A 7 SER HB3 . 18904 1 52 . 1 1 7 7 SER CA C 13 61.654 0.01 . . . . . A 7 SER CA . 18904 1 53 . 1 1 7 7 SER CB C 13 63.402 0.01 . . . . . A 7 SER CB . 18904 1 54 . 1 1 7 7 SER N N 15 113.297 0.01 . . . . . A 7 SER N . 18904 1 55 . 1 1 8 8 ASN H H 1 7.45 0.01 . . . . . A 8 ASN H . 18904 1 56 . 1 1 8 8 ASN HA H 1 4.864 0.01 . . . . . A 8 ASN HA . 18904 1 57 . 1 1 8 8 ASN HB2 H 1 2.798 0.01 . . . . . A 8 ASN HB2 . 18904 1 58 . 1 1 8 8 ASN HB3 H 1 2.615 0.01 . . . . . A 8 ASN HB3 . 18904 1 59 . 1 1 8 8 ASN HD21 H 1 6.725 0.01 . . . . . A 8 ASN HD21 . 18904 1 60 . 1 1 8 8 ASN HD22 H 1 7.468 0.01 . . . . . A 8 ASN HD22 . 18904 1 61 . 1 1 8 8 ASN CA C 13 51.604 0.01 . . . . . A 8 ASN CA . 18904 1 62 . 1 1 8 8 ASN CB C 13 38.713 0.01 . . . . . A 8 ASN CB . 18904 1 63 . 1 1 8 8 ASN N N 15 116.264 0.01 . . . . . A 8 ASN N . 18904 1 64 . 1 1 8 8 ASN ND2 N 15 112.484 0.01 . . . . . A 8 ASN ND2 . 18904 1 65 . 1 1 9 9 SER H H 1 7.455 0.01 . . . . . A 9 SER H . 18904 1 66 . 1 1 9 9 SER HA H 1 4.53 0.01 . . . . . A 9 SER HA . 18904 1 67 . 1 1 9 9 SER HB2 H 1 3.81 0.01 . . . . . A 9 SER HB2 . 18904 1 68 . 1 1 9 9 SER HB3 H 1 3.585 0.01 . . . . . A 9 SER HB3 . 18904 1 69 . 1 1 9 9 SER CA C 13 61.144 0.01 . . . . . A 9 SER CA . 18904 1 70 . 1 1 9 9 SER CB C 13 64.13 0.01 . . . . . A 9 SER CB . 18904 1 71 . 1 1 9 9 SER N N 15 117.902 0.01 . . . . . A 9 SER N . 18904 1 72 . 1 1 10 10 ALA H H 1 8.308 0.01 . . . . . A 10 ALA H . 18904 1 73 . 1 1 10 10 ALA HA H 1 5.136 0.01 . . . . . A 10 ALA HA . 18904 1 74 . 1 1 10 10 ALA HB1 H 1 1.311 0.01 . . . . . A 10 ALA HB1 . 18904 1 75 . 1 1 10 10 ALA HB2 H 1 1.311 0.01 . . . . . A 10 ALA HB2 . 18904 1 76 . 1 1 10 10 ALA HB3 H 1 1.311 0.01 . . . . . A 10 ALA HB3 . 18904 1 77 . 1 1 10 10 ALA CA C 13 50.584 0.01 . . . . . A 10 ALA CA . 18904 1 78 . 1 1 10 10 ALA CB C 13 20.796 0.01 . . . . . A 10 ALA CB . 18904 1 79 . 1 1 10 10 ALA N N 15 124.222 0.01 . . . . . A 10 ALA N . 18904 1 80 . 1 1 11 11 VAL H H 1 9.468 0.01 . . . . . A 11 VAL H . 18904 1 81 . 1 1 11 11 VAL HA H 1 4.611 0.01 . . . . . A 11 VAL HA . 18904 1 82 . 1 1 11 11 VAL HB H 1 1.825 0.01 . . . . . A 11 VAL HB . 18904 1 83 . 1 1 11 11 VAL HG11 H 1 0.739 0.01 . . . . . A 11 VAL HG11 . 18904 1 84 . 1 1 11 11 VAL HG12 H 1 0.739 0.01 . . . . . A 11 VAL HG12 . 18904 1 85 . 1 1 11 11 VAL HG13 H 1 0.739 0.01 . . . . . A 11 VAL HG13 . 18904 1 86 . 1 1 11 11 VAL HG21 H 1 0.767 0.01 . . . . . A 11 VAL HG21 . 18904 1 87 . 1 1 11 11 VAL HG22 H 1 0.767 0.01 . . . . . A 11 VAL HG22 . 18904 1 88 . 1 1 11 11 VAL HG23 H 1 0.767 0.01 . . . . . A 11 VAL HG23 . 18904 1 89 . 1 1 11 11 VAL CA C 13 60.416 0.01 . . . . . A 11 VAL CA . 18904 1 90 . 1 1 11 11 VAL CB C 13 35.435 0.01 . . . . . A 11 VAL CB . 18904 1 91 . 1 1 11 11 VAL CG1 C 13 23.343 0.01 . . . . . A 11 VAL CG1 . 18904 1 92 . 1 1 11 11 VAL CG2 C 13 23.343 0.01 . . . . . A 11 VAL CG2 . 18904 1 93 . 1 1 11 11 VAL N N 15 122.584 0.01 . . . . . A 11 VAL N . 18904 1 94 . 1 1 12 12 LEU H H 1 8.869 0.01 . . . . . A 12 LEU H . 18904 1 95 . 1 1 12 12 LEU HA H 1 5.025 0.01 . . . . . A 12 LEU HA . 18904 1 96 . 1 1 12 12 LEU HB2 H 1 1.643 0.01 . . . . . A 12 LEU HB2 . 18904 1 97 . 1 1 12 12 LEU HB3 H 1 0.946 0.01 . . . . . A 12 LEU HB3 . 18904 1 98 . 1 1 12 12 LEU HG H 1 1.094 0.01 . . . . . A 12 LEU HG . 18904 1 99 . 1 1 12 12 LEU HD11 H 1 0.544 0.01 . . . . . A 12 LEU HD11 . 18904 1 100 . 1 1 12 12 LEU HD12 H 1 0.544 0.01 . . . . . A 12 LEU HD12 . 18904 1 101 . 1 1 12 12 LEU HD13 H 1 0.544 0.01 . . . . . A 12 LEU HD13 . 18904 1 102 . 1 1 12 12 LEU HD21 H 1 0.582 0.01 . . . . . A 12 LEU HD21 . 18904 1 103 . 1 1 12 12 LEU HD22 H 1 0.582 0.01 . . . . . A 12 LEU HD22 . 18904 1 104 . 1 1 12 12 LEU HD23 H 1 0.582 0.01 . . . . . A 12 LEU HD23 . 18904 1 105 . 1 1 12 12 LEU CA C 13 53.716 0.01 . . . . . A 12 LEU CA . 18904 1 106 . 1 1 12 12 LEU CB C 13 44.976 0.01 . . . . . A 12 LEU CB . 18904 1 107 . 1 1 12 12 LEU CG C 13 27.44 0.01 . . . . . A 12 LEU CG . 18904 1 108 . 1 1 12 12 LEU CD1 C 13 23.892 0.01 . . . . . A 12 LEU CD1 . 18904 1 109 . 1 1 12 12 LEU CD2 C 13 25.535 0.01 . . . . . A 12 LEU CD2 . 18904 1 110 . 1 1 12 12 LEU N N 15 131.368 0.01 . . . . . A 12 LEU N . 18904 1 111 . 1 1 13 13 VAL H H 1 9.226 0.01 . . . . . A 13 VAL H . 18904 1 112 . 1 1 13 13 VAL HA H 1 5.298 0.01 . . . . . A 13 VAL HA . 18904 1 113 . 1 1 13 13 VAL HB H 1 1.948 0.01 . . . . . A 13 VAL HB . 18904 1 114 . 1 1 13 13 VAL HG11 H 1 0.016 0.01 . . . . . A 13 VAL HG11 . 18904 1 115 . 1 1 13 13 VAL HG12 H 1 0.016 0.01 . . . . . A 13 VAL HG12 . 18904 1 116 . 1 1 13 13 VAL HG13 H 1 0.016 0.01 . . . . . A 13 VAL HG13 . 18904 1 117 . 1 1 13 13 VAL HG21 H 1 0.528 0.01 . . . . . A 13 VAL HG21 . 18904 1 118 . 1 1 13 13 VAL HG22 H 1 0.528 0.01 . . . . . A 13 VAL HG22 . 18904 1 119 . 1 1 13 13 VAL HG23 H 1 0.528 0.01 . . . . . A 13 VAL HG23 . 18904 1 120 . 1 1 13 13 VAL CA C 13 58.959 0.01 . . . . . A 13 VAL CA . 18904 1 121 . 1 1 13 13 VAL CB C 13 35.435 0.01 . . . . . A 13 VAL CB . 18904 1 122 . 1 1 13 13 VAL CG1 C 13 18.139 0.01 . . . . . A 13 VAL CG1 . 18904 1 123 . 1 1 13 13 VAL CG2 C 13 22.245 0.01 . . . . . A 13 VAL CG2 . 18904 1 124 . 1 1 13 13 VAL N N 15 119.755 0.01 . . . . . A 13 VAL N . 18904 1 125 . 1 1 14 14 HIS H H 1 8.199 0.01 . . . . . A 14 HIS H . 18904 1 126 . 1 1 14 14 HIS HA H 1 5.362 0.01 . . . . . A 14 HIS HA . 18904 1 127 . 1 1 14 14 HIS HB2 H 1 2.597 0.01 . . . . . A 14 HIS HB2 . 18904 1 128 . 1 1 14 14 HIS HB3 H 1 2.596 0.01 . . . . . A 14 HIS HB3 . 18904 1 129 . 1 1 14 14 HIS HD2 H 1 6.722 0.01 . . . . . A 14 HIS HD2 . 18904 1 130 . 1 1 14 14 HIS HE1 H 1 6.963 0.01 . . . . . A 14 HIS HE1 . 18904 1 131 . 1 1 14 14 HIS CA C 13 55.391 0.01 . . . . . A 14 HIS CA . 18904 1 132 . 1 1 14 14 HIS CB C 13 34.926 0.01 . . . . . A 14 HIS CB . 18904 1 133 . 1 1 14 14 HIS CE1 C 13 136.79 0.01 . . . . . A 14 HIS CE1 . 18904 1 134 . 1 1 14 14 HIS N N 15 118.135 0.01 . . . . . A 14 HIS N . 18904 1 135 . 1 1 15 15 PHE H H 1 9.421 0.01 . . . . . A 15 PHE H . 18904 1 136 . 1 1 15 15 PHE HA H 1 6.094 0.01 . . . . . A 15 PHE HA . 18904 1 137 . 1 1 15 15 PHE HB2 H 1 3.186 0.01 . . . . . A 15 PHE HB2 . 18904 1 138 . 1 1 15 15 PHE HB3 H 1 2.848 0.01 . . . . . A 15 PHE HB3 . 18904 1 139 . 1 1 15 15 PHE HD1 H 1 6.779 0.01 . . . . . A 15 PHE HD1 . 18904 1 140 . 1 1 15 15 PHE HD2 H 1 6.779 0.01 . . . . . A 15 PHE HD2 . 18904 1 141 . 1 1 15 15 PHE HE1 H 1 7.096 0.01 . . . . . A 15 PHE HE1 . 18904 1 142 . 1 1 15 15 PHE HE2 H 1 7.096 0.01 . . . . . A 15 PHE HE2 . 18904 1 143 . 1 1 15 15 PHE HZ H 1 7.337 0.01 . . . . . A 15 PHE HZ . 18904 1 144 . 1 1 15 15 PHE CA C 13 56.483 0.01 . . . . . A 15 PHE CA . 18904 1 145 . 1 1 15 15 PHE CB C 13 44.539 0.01 . . . . . A 15 PHE CB . 18904 1 146 . 1 1 15 15 PHE CD2 C 13 131.931 0.01 . . . . . A 15 PHE CD2 . 18904 1 147 . 1 1 15 15 PHE CE2 C 13 131.58 0.01 . . . . . A 15 PHE CE2 . 18904 1 148 . 1 1 15 15 PHE CZ C 13 130.403 0.01 . . . . . A 15 PHE CZ . 18904 1 149 . 1 1 15 15 PHE N N 15 118.759 0.01 . . . . . A 15 PHE N . 18904 1 150 . 1 1 16 16 THR H H 1 8.813 0.01 . . . . . A 16 THR H . 18904 1 151 . 1 1 16 16 THR HA H 1 4.699 0.01 . . . . . A 16 THR HA . 18904 1 152 . 1 1 16 16 THR HB H 1 3.972 0.01 . . . . . A 16 THR HB . 18904 1 153 . 1 1 16 16 THR HG21 H 1 1.163 0.01 . . . . . A 16 THR HG21 . 18904 1 154 . 1 1 16 16 THR HG22 H 1 1.163 0.01 . . . . . A 16 THR HG22 . 18904 1 155 . 1 1 16 16 THR HG23 H 1 1.163 0.01 . . . . . A 16 THR HG23 . 18904 1 156 . 1 1 16 16 THR CA C 13 62.383 0.01 . . . . . A 16 THR CA . 18904 1 157 . 1 1 16 16 THR CB C 13 72.215 0.01 . . . . . A 16 THR CB . 18904 1 158 . 1 1 16 16 THR CG2 C 13 22.94 0.01 . . . . . A 16 THR CG2 . 18904 1 159 . 1 1 16 16 THR N N 15 116.015 0.01 . . . . . A 16 THR N . 18904 1 160 . 1 1 17 17 LEU H H 1 8.98 0.01 . . . . . A 17 LEU H . 18904 1 161 . 1 1 17 17 LEU HA H 1 4.906 0.01 . . . . . A 17 LEU HA . 18904 1 162 . 1 1 17 17 LEU HB2 H 1 1.453 0.01 . . . . . A 17 LEU HB2 . 18904 1 163 . 1 1 17 17 LEU HB3 H 1 1.33 0.01 . . . . . A 17 LEU HB3 . 18904 1 164 . 1 1 17 17 LEU HG H 1 1.065 0.01 . . . . . A 17 LEU HG . 18904 1 165 . 1 1 17 17 LEU HD11 H 1 0.297 0.01 . . . . . A 17 LEU HD11 . 18904 1 166 . 1 1 17 17 LEU HD12 H 1 0.297 0.01 . . . . . A 17 LEU HD12 . 18904 1 167 . 1 1 17 17 LEU HD13 H 1 0.297 0.01 . . . . . A 17 LEU HD13 . 18904 1 168 . 1 1 17 17 LEU HD21 H 1 0.37 0.01 . . . . . A 17 LEU HD21 . 18904 1 169 . 1 1 17 17 LEU HD22 H 1 0.37 0.01 . . . . . A 17 LEU HD22 . 18904 1 170 . 1 1 17 17 LEU HD23 H 1 0.37 0.01 . . . . . A 17 LEU HD23 . 18904 1 171 . 1 1 17 17 LEU CA C 13 53.716 0.01 . . . . . A 17 LEU CA . 18904 1 172 . 1 1 17 17 LEU CB C 13 44.83 0.01 . . . . . A 17 LEU CB . 18904 1 173 . 1 1 17 17 LEU CG C 13 27.44 0.01 . . . . . A 17 LEU CG . 18904 1 174 . 1 1 17 17 LEU CD1 C 13 24.99 0.01 . . . . . A 17 LEU CD1 . 18904 1 175 . 1 1 17 17 LEU CD2 C 13 24.692 0.01 . . . . . A 17 LEU CD2 . 18904 1 176 . 1 1 17 17 LEU N N 15 128.802 0.01 . . . . . A 17 LEU N . 18904 1 177 . 1 1 18 18 LYS H H 1 9.268 0.01 . . . . . A 18 LYS H . 18904 1 178 . 1 1 18 18 LYS HA H 1 5.346 0.01 . . . . . A 18 LYS HA . 18904 1 179 . 1 1 18 18 LYS HB2 H 1 1.641 0.01 . . . . . A 18 LYS HB2 . 18904 1 180 . 1 1 18 18 LYS HB3 H 1 1.494 0.01 . . . . . A 18 LYS HB3 . 18904 1 181 . 1 1 18 18 LYS HG2 H 1 1.32 0.01 . . . . . A 18 LYS HG2 . 18904 1 182 . 1 1 18 18 LYS HG3 H 1 0.887 0.01 . . . . . A 18 LYS HG3 . 18904 1 183 . 1 1 18 18 LYS HD2 H 1 1.242 0.01 . . . . . A 18 LYS HD2 . 18904 1 184 . 1 1 18 18 LYS HD3 H 1 1.242 0.01 . . . . . A 18 LYS HD3 . 18904 1 185 . 1 1 18 18 LYS HE2 H 1 2.679 0.01 . . . . . A 18 LYS HE2 . 18904 1 186 . 1 1 18 18 LYS HE3 H 1 2.679 0.01 . . . . . A 18 LYS HE3 . 18904 1 187 . 1 1 18 18 LYS HZ1 H 1 7.869 0.01 . . . . . A 18 LYS HZ1 . 18904 1 188 . 1 1 18 18 LYS HZ2 H 1 7.869 0.01 . . . . . A 18 LYS HZ2 . 18904 1 189 . 1 1 18 18 LYS HZ3 H 1 7.869 0.01 . . . . . A 18 LYS HZ3 . 18904 1 190 . 1 1 18 18 LYS CA C 13 54.735 0.01 . . . . . A 18 LYS CA . 18904 1 191 . 1 1 18 18 LYS CB C 13 37.547 0.01 . . . . . A 18 LYS CB . 18904 1 192 . 1 1 18 18 LYS CE C 13 42.07 0.01 . . . . . A 18 LYS CE . 18904 1 193 . 1 1 18 18 LYS N N 15 126.083 0.01 . . . . . A 18 LYS N . 18904 1 194 . 1 1 19 19 LEU H H 1 8.089 0.01 . . . . . A 19 LEU H . 18904 1 195 . 1 1 19 19 LEU HA H 1 4.866 0.01 . . . . . A 19 LEU HA . 18904 1 196 . 1 1 19 19 LEU HB2 H 1 1.862 0.01 . . . . . A 19 LEU HB2 . 18904 1 197 . 1 1 19 19 LEU HB3 H 1 1.774 0.01 . . . . . A 19 LEU HB3 . 18904 1 198 . 1 1 19 19 LEU HG H 1 1.4 0.01 . . . . . A 19 LEU HG . 18904 1 199 . 1 1 19 19 LEU HD11 H 1 0.654 0.01 . . . . . A 19 LEU HD11 . 18904 1 200 . 1 1 19 19 LEU HD12 H 1 0.654 0.01 . . . . . A 19 LEU HD12 . 18904 1 201 . 1 1 19 19 LEU HD13 H 1 0.654 0.01 . . . . . A 19 LEU HD13 . 18904 1 202 . 1 1 19 19 LEU HD21 H 1 0.73 0.01 . . . . . A 19 LEU HD21 . 18904 1 203 . 1 1 19 19 LEU HD22 H 1 0.73 0.01 . . . . . A 19 LEU HD22 . 18904 1 204 . 1 1 19 19 LEU HD23 H 1 0.73 0.01 . . . . . A 19 LEU HD23 . 18904 1 205 . 1 1 19 19 LEU CA C 13 52.987 0.01 . . . . . A 19 LEU CA . 18904 1 206 . 1 1 19 19 LEU CB C 13 42.573 0.01 . . . . . A 19 LEU CB . 18904 1 207 . 1 1 19 19 LEU CG C 13 27.42 0.01 . . . . . A 19 LEU CG . 18904 1 208 . 1 1 19 19 LEU CD1 C 13 21.99 0.01 . . . . . A 19 LEU CD1 . 18904 1 209 . 1 1 19 19 LEU CD2 C 13 24.85 0.01 . . . . . A 19 LEU CD2 . 18904 1 210 . 1 1 19 19 LEU N N 15 118.525 0.01 . . . . . A 19 LEU N . 18904 1 211 . 1 1 20 20 ASP H H 1 9.989 0.01 . . . . . A 20 ASP H . 18904 1 212 . 1 1 20 20 ASP HA H 1 4.218 0.01 . . . . . A 20 ASP HA . 18904 1 213 . 1 1 20 20 ASP HB2 H 1 2.719 0.01 . . . . . A 20 ASP HB2 . 18904 1 214 . 1 1 20 20 ASP HB3 H 1 2.564 0.01 . . . . . A 20 ASP HB3 . 18904 1 215 . 1 1 20 20 ASP CA C 13 57.503 0.01 . . . . . A 20 ASP CA . 18904 1 216 . 1 1 20 20 ASP CB C 13 41.043 0.01 . . . . . A 20 ASP CB . 18904 1 217 . 1 1 20 20 ASP N N 15 123.989 0.01 . . . . . A 20 ASP N . 18904 1 218 . 1 1 21 21 ASP H H 1 7.616 0.01 . . . . . A 21 ASP H . 18904 1 219 . 1 1 21 21 ASP HA H 1 4.326 0.01 . . . . . A 21 ASP HA . 18904 1 220 . 1 1 21 21 ASP HB2 H 1 2.918 0.01 . . . . . A 21 ASP HB2 . 18904 1 221 . 1 1 21 21 ASP HB3 H 1 2.448 0.01 . . . . . A 21 ASP HB3 . 18904 1 222 . 1 1 21 21 ASP CA C 13 53.497 0.01 . . . . . A 21 ASP CA . 18904 1 223 . 1 1 21 21 ASP CB C 13 39.951 0.01 . . . . . A 21 ASP CB . 18904 1 224 . 1 1 21 21 ASP N N 15 116.02 0.01 . . . . . A 21 ASP N . 18904 1 225 . 1 1 22 22 GLY H H 1 8.025 0.01 . . . . . A 22 GLY H . 18904 1 226 . 1 1 22 22 GLY HA2 H 1 3.471 0.01 . . . . . A 22 GLY HA2 . 18904 1 227 . 1 1 22 22 GLY HA3 H 1 4.171 0.01 . . . . . A 22 GLY HA3 . 18904 1 228 . 1 1 22 22 GLY CA C 13 45.049 0.01 . . . . . A 22 GLY CA . 18904 1 229 . 1 1 22 22 GLY N N 15 108.639 0.01 . . . . . A 22 GLY N . 18904 1 230 . 1 1 23 23 THR H H 1 8.09 0.01 . . . . . A 23 THR H . 18904 1 231 . 1 1 23 23 THR HA H 1 3.883 0.01 . . . . . A 23 THR HA . 18904 1 232 . 1 1 23 23 THR HB H 1 3.896 0.01 . . . . . A 23 THR HB . 18904 1 233 . 1 1 23 23 THR HG21 H 1 0.957 0.01 . . . . . A 23 THR HG21 . 18904 1 234 . 1 1 23 23 THR HG22 H 1 0.957 0.01 . . . . . A 23 THR HG22 . 18904 1 235 . 1 1 23 23 THR HG23 H 1 0.957 0.01 . . . . . A 23 THR HG23 . 18904 1 236 . 1 1 23 23 THR CA C 13 63.621 0.01 . . . . . A 23 THR CA . 18904 1 237 . 1 1 23 23 THR CB C 13 70.175 0.01 . . . . . A 23 THR CB . 18904 1 238 . 1 1 23 23 THR CG2 C 13 21.295 0.01 . . . . . A 23 THR CG2 . 18904 1 239 . 1 1 23 23 THR N N 15 116.995 0.01 . . . . . A 23 THR N . 18904 1 240 . 1 1 24 24 THR H H 1 8.752 0.01 . . . . . A 24 THR H . 18904 1 241 . 1 1 24 24 THR HA H 1 4.268 0.01 . . . . . A 24 THR HA . 18904 1 242 . 1 1 24 24 THR HB H 1 3.938 0.01 . . . . . A 24 THR HB . 18904 1 243 . 1 1 24 24 THR HG21 H 1 0.92 0.01 . . . . . A 24 THR HG21 . 18904 1 244 . 1 1 24 24 THR HG22 H 1 0.92 0.01 . . . . . A 24 THR HG22 . 18904 1 245 . 1 1 24 24 THR HG23 H 1 0.92 0.01 . . . . . A 24 THR HG23 . 18904 1 246 . 1 1 24 24 THR CA C 13 63.475 0.01 . . . . . A 24 THR CA . 18904 1 247 . 1 1 24 24 THR CB C 13 69.01 0.01 . . . . . A 24 THR CB . 18904 1 248 . 1 1 24 24 THR CG2 C 13 22.25 0.01 . . . . . A 24 THR CG2 . 18904 1 249 . 1 1 24 24 THR N N 15 121.178 0.01 . . . . . A 24 THR N . 18904 1 250 . 1 1 25 25 ALA H H 1 8.965 0.01 . . . . . A 25 ALA H . 18904 1 251 . 1 1 25 25 ALA HA H 1 4.227 0.01 . . . . . A 25 ALA HA . 18904 1 252 . 1 1 25 25 ALA HB1 H 1 1.148 0.01 . . . . . A 25 ALA HB1 . 18904 1 253 . 1 1 25 25 ALA HB2 H 1 1.148 0.01 . . . . . A 25 ALA HB2 . 18904 1 254 . 1 1 25 25 ALA HB3 H 1 1.148 0.01 . . . . . A 25 ALA HB3 . 18904 1 255 . 1 1 25 25 ALA CA C 13 53.279 0.01 . . . . . A 25 ALA CA . 18904 1 256 . 1 1 25 25 ALA CB C 13 19.922 0.01 . . . . . A 25 ALA CB . 18904 1 257 . 1 1 25 25 ALA N N 15 133.477 0.01 . . . . . A 25 ALA N . 18904 1 258 . 1 1 26 26 GLU H H 1 7.437 0.01 . . . . . A 26 GLU H . 18904 1 259 . 1 1 26 26 GLU HA H 1 4.357 0.01 . . . . . A 26 GLU HA . 18904 1 260 . 1 1 26 26 GLU HB2 H 1 1.802 0.01 . . . . . A 26 GLU HB2 . 18904 1 261 . 1 1 26 26 GLU HB3 H 1 1.801 0.01 . . . . . A 26 GLU HB3 . 18904 1 262 . 1 1 26 26 GLU HG2 H 1 2.092 0.01 . . . . . A 26 GLU HG2 . 18904 1 263 . 1 1 26 26 GLU HG3 H 1 1.985 0.01 . . . . . A 26 GLU HG3 . 18904 1 264 . 1 1 26 26 GLU CA C 13 55.973 0.01 . . . . . A 26 GLU CA . 18904 1 265 . 1 1 26 26 GLU CB C 13 33.979 0.01 . . . . . A 26 GLU CB . 18904 1 266 . 1 1 26 26 GLU CG C 13 33.65 0.01 . . . . . A 26 GLU CG . 18904 1 267 . 1 1 26 26 GLU N N 15 115.239 0.01 . . . . . A 26 GLU N . 18904 1 268 . 1 1 27 27 SER H H 1 8.798 0.01 . . . . . A 27 SER H . 18904 1 269 . 1 1 27 27 SER HA H 1 4.954 0.01 . . . . . A 27 SER HA . 18904 1 270 . 1 1 27 27 SER HB2 H 1 3.802 0.01 . . . . . A 27 SER HB2 . 18904 1 271 . 1 1 27 27 SER HB3 H 1 3.425 0.01 . . . . . A 27 SER HB3 . 18904 1 272 . 1 1 27 27 SER CA C 13 56.192 0.01 . . . . . A 27 SER CA . 18904 1 273 . 1 1 27 27 SER CB C 13 64.349 0.01 . . . . . A 27 SER CB . 18904 1 274 . 1 1 27 27 SER N N 15 118.257 0.01 . . . . . A 27 SER N . 18904 1 275 . 1 1 28 28 THR H H 1 8.583 0.01 . . . . . A 28 THR H . 18904 1 276 . 1 1 28 28 THR HA H 1 4.122 0.01 . . . . . A 28 THR HA . 18904 1 277 . 1 1 28 28 THR HB H 1 4.653 0.01 . . . . . A 28 THR HB . 18904 1 278 . 1 1 28 28 THR HG21 H 1 0.775 0.01 . . . . . A 28 THR HG21 . 18904 1 279 . 1 1 28 28 THR HG22 H 1 0.775 0.01 . . . . . A 28 THR HG22 . 18904 1 280 . 1 1 28 28 THR HG23 H 1 0.775 0.01 . . . . . A 28 THR HG23 . 18904 1 281 . 1 1 28 28 THR CA C 13 64.932 0.01 . . . . . A 28 THR CA . 18904 1 282 . 1 1 28 28 THR CB C 13 66.461 0.01 . . . . . A 28 THR CB . 18904 1 283 . 1 1 28 28 THR CG2 C 13 19.794 0.01 . . . . . A 28 THR CG2 . 18904 1 284 . 1 1 28 28 THR N N 15 121.82 0.01 . . . . . A 28 THR N . 18904 1 285 . 1 1 29 29 ARG H H 1 7.847 0.01 . . . . . A 29 ARG H . 18904 1 286 . 1 1 29 29 ARG HA H 1 3.577 0.01 . . . . . A 29 ARG HA . 18904 1 287 . 1 1 29 29 ARG HB2 H 1 1.421 0.01 . . . . . A 29 ARG HB2 . 18904 1 288 . 1 1 29 29 ARG HB3 H 1 1.242 0.01 . . . . . A 29 ARG HB3 . 18904 1 289 . 1 1 29 29 ARG HG2 H 1 1.764 0.01 . . . . . A 29 ARG HG2 . 18904 1 290 . 1 1 29 29 ARG HG3 H 1 1.763 0.01 . . . . . A 29 ARG HG3 . 18904 1 291 . 1 1 29 29 ARG HD2 H 1 2.619 0.01 . . . . . A 29 ARG HD2 . 18904 1 292 . 1 1 29 29 ARG HD3 H 1 2.618 0.01 . . . . . A 29 ARG HD3 . 18904 1 293 . 1 1 29 29 ARG HE H 1 6.985 0.01 . . . . . A 29 ARG HE . 18904 1 294 . 1 1 29 29 ARG CA C 13 58.287 0.01 . . . . . A 29 ARG CA . 18904 1 295 . 1 1 29 29 ARG CB C 13 29.357 0.01 . . . . . A 29 ARG CB . 18904 1 296 . 1 1 29 29 ARG CD C 13 42.867 0.01 . . . . . A 29 ARG CD . 18904 1 297 . 1 1 29 29 ARG N N 15 120.35 0.01 . . . . . A 29 ARG N . 18904 1 298 . 1 1 29 29 ARG NE N 15 85.109 0.01 . . . . . A 29 ARG NE . 18904 1 299 . 1 1 30 30 ASN H H 1 7.428 0.01 . . . . . A 30 ASN H . 18904 1 300 . 1 1 30 30 ASN HA H 1 4.282 0.01 . . . . . A 30 ASN HA . 18904 1 301 . 1 1 30 30 ASN HB2 H 1 2.728 0.01 . . . . . A 30 ASN HB2 . 18904 1 302 . 1 1 30 30 ASN HB3 H 1 2.655 0.01 . . . . . A 30 ASN HB3 . 18904 1 303 . 1 1 30 30 ASN HD21 H 1 6.849 0.01 . . . . . A 30 ASN HD21 . 18904 1 304 . 1 1 30 30 ASN HD22 H 1 7.681 0.01 . . . . . A 30 ASN HD22 . 18904 1 305 . 1 1 30 30 ASN CA C 13 55.464 0.01 . . . . . A 30 ASN CA . 18904 1 306 . 1 1 30 30 ASN CB C 13 37.62 0.01 . . . . . A 30 ASN CB . 18904 1 307 . 1 1 30 30 ASN N N 15 118.348 0.01 . . . . . A 30 ASN N . 18904 1 308 . 1 1 30 30 ASN ND2 N 15 112.51 0.01 . . . . . A 30 ASN ND2 . 18904 1 309 . 1 1 31 31 ASN H H 1 7.813 0.01 . . . . . A 31 ASN H . 18904 1 310 . 1 1 31 31 ASN HA H 1 4.543 0.01 . . . . . A 31 ASN HA . 18904 1 311 . 1 1 31 31 ASN HB2 H 1 2.889 0.01 . . . . . A 31 ASN HB2 . 18904 1 312 . 1 1 31 31 ASN HB3 H 1 2.797 0.01 . . . . . A 31 ASN HB3 . 18904 1 313 . 1 1 31 31 ASN HD21 H 1 7.028 0.01 . . . . . A 31 ASN HD21 . 18904 1 314 . 1 1 31 31 ASN HD22 H 1 7.631 0.01 . . . . . A 31 ASN HD22 . 18904 1 315 . 1 1 31 31 ASN CA C 13 53.497 0.01 . . . . . A 31 ASN CA . 18904 1 316 . 1 1 31 31 ASN CB C 13 38.713 0.01 . . . . . A 31 ASN CB . 18904 1 317 . 1 1 31 31 ASN N N 15 116.255 0.01 . . . . . A 31 ASN N . 18904 1 318 . 1 1 31 31 ASN ND2 N 15 112.193 0.01 . . . . . A 31 ASN ND2 . 18904 1 319 . 1 1 32 32 GLY H H 1 7.593 0.01 . . . . . A 32 GLY H . 18904 1 320 . 1 1 32 32 GLY HA2 H 1 3.684 0.01 . . . . . A 32 GLY HA2 . 18904 1 321 . 1 1 32 32 GLY HA3 H 1 4.01 0.01 . . . . . A 32 GLY HA3 . 18904 1 322 . 1 1 32 32 GLY CA C 13 46.069 0.01 . . . . . A 32 GLY CA . 18904 1 323 . 1 1 32 32 GLY N N 15 107.719 0.01 . . . . . A 32 GLY N . 18904 1 324 . 1 1 33 33 LYS H H 1 7.563 0.01 . . . . . A 33 LYS H . 18904 1 325 . 1 1 33 33 LYS HA H 1 4.764 0.01 . . . . . A 33 LYS HA . 18904 1 326 . 1 1 33 33 LYS HB2 H 1 1.681 0.01 . . . . . A 33 LYS HB2 . 18904 1 327 . 1 1 33 33 LYS HB3 H 1 1.557 0.01 . . . . . A 33 LYS HB3 . 18904 1 328 . 1 1 33 33 LYS HG2 H 1 1.342 0.01 . . . . . A 33 LYS HG2 . 18904 1 329 . 1 1 33 33 LYS HG3 H 1 1.265 0.01 . . . . . A 33 LYS HG3 . 18904 1 330 . 1 1 33 33 LYS HD2 H 1 1.512 0.01 . . . . . A 33 LYS HD2 . 18904 1 331 . 1 1 33 33 LYS HD3 H 1 1.473 0.01 . . . . . A 33 LYS HD3 . 18904 1 332 . 1 1 33 33 LYS HE2 H 1 2.853 0.01 . . . . . A 33 LYS HE2 . 18904 1 333 . 1 1 33 33 LYS HE3 H 1 2.853 0.01 . . . . . A 33 LYS HE3 . 18904 1 334 . 1 1 33 33 LYS HZ1 H 1 6.957 0.01 . . . . . A 33 LYS HZ1 . 18904 1 335 . 1 1 33 33 LYS HZ2 H 1 6.957 0.01 . . . . . A 33 LYS HZ2 . 18904 1 336 . 1 1 33 33 LYS HZ3 H 1 6.957 0.01 . . . . . A 33 LYS HZ3 . 18904 1 337 . 1 1 33 33 LYS CA C 13 53.424 0.01 . . . . . A 33 LYS CA . 18904 1 338 . 1 1 33 33 LYS CB C 13 33.833 0.01 . . . . . A 33 LYS CB . 18904 1 339 . 1 1 33 33 LYS CG C 13 24.165 0.01 . . . . . A 33 LYS CG . 18904 1 340 . 1 1 33 33 LYS CE C 13 42.191 0.01 . . . . . A 33 LYS CE . 18904 1 341 . 1 1 33 33 LYS N N 15 120.459 0.01 . . . . . A 33 LYS N . 18904 1 342 . 1 1 34 34 PRO HA H 1 4.026 0.01 . . . . . A 34 PRO HA . 18904 1 343 . 1 1 34 34 PRO HB2 H 1 1.303 0.01 . . . . . A 34 PRO HB2 . 18904 1 344 . 1 1 34 34 PRO HB3 H 1 1.034 0.01 . . . . . A 34 PRO HB3 . 18904 1 345 . 1 1 34 34 PRO HG2 H 1 1.539 0.01 . . . . . A 34 PRO HG2 . 18904 1 346 . 1 1 34 34 PRO HG3 H 1 1.112 0.01 . . . . . A 34 PRO HG3 . 18904 1 347 . 1 1 34 34 PRO HD2 H 1 3.513 0.01 . . . . . A 34 PRO HD2 . 18904 1 348 . 1 1 34 34 PRO HD3 H 1 3.512 0.01 . . . . . A 34 PRO HD3 . 18904 1 349 . 1 1 34 34 PRO CA C 13 62.819 0.01 . . . . . A 34 PRO CA . 18904 1 350 . 1 1 34 34 PRO CB C 13 32.785 0.01 . . . . . A 34 PRO CB . 18904 1 351 . 1 1 34 34 PRO CD C 13 50.78 0.01 . . . . . A 34 PRO CD . 18904 1 352 . 1 1 35 35 ALA H H 1 8.488 0.01 . . . . . A 35 ALA H . 18904 1 353 . 1 1 35 35 ALA HA H 1 4.529 0.01 . . . . . A 35 ALA HA . 18904 1 354 . 1 1 35 35 ALA HB1 H 1 1.275 0.01 . . . . . A 35 ALA HB1 . 18904 1 355 . 1 1 35 35 ALA HB2 H 1 1.275 0.01 . . . . . A 35 ALA HB2 . 18904 1 356 . 1 1 35 35 ALA HB3 H 1 1.275 0.01 . . . . . A 35 ALA HB3 . 18904 1 357 . 1 1 35 35 ALA CA C 13 50.505 0.01 . . . . . A 35 ALA CA . 18904 1 358 . 1 1 35 35 ALA CB C 13 23.08 0.01 . . . . . A 35 ALA CB . 18904 1 359 . 1 1 35 35 ALA N N 15 123.167 0.01 . . . . . A 35 ALA N . 18904 1 360 . 1 1 36 36 LEU H H 1 8.344 0.01 . . . . . A 36 LEU H . 18904 1 361 . 1 1 36 36 LEU HA H 1 4.832 0.01 . . . . . A 36 LEU HA . 18904 1 362 . 1 1 36 36 LEU HB2 H 1 1.754 0.01 . . . . . A 36 LEU HB2 . 18904 1 363 . 1 1 36 36 LEU HB3 H 1 1.052 0.01 . . . . . A 36 LEU HB3 . 18904 1 364 . 1 1 36 36 LEU HG H 1 1.162 0.01 . . . . . A 36 LEU HG . 18904 1 365 . 1 1 36 36 LEU HD11 H 1 0.577 0.01 . . . . . A 36 LEU HD11 . 18904 1 366 . 1 1 36 36 LEU HD12 H 1 0.577 0.01 . . . . . A 36 LEU HD12 . 18904 1 367 . 1 1 36 36 LEU HD13 H 1 0.577 0.01 . . . . . A 36 LEU HD13 . 18904 1 368 . 1 1 36 36 LEU HD21 H 1 0.651 0.01 . . . . . A 36 LEU HD21 . 18904 1 369 . 1 1 36 36 LEU HD22 H 1 0.651 0.01 . . . . . A 36 LEU HD22 . 18904 1 370 . 1 1 36 36 LEU HD23 H 1 0.651 0.01 . . . . . A 36 LEU HD23 . 18904 1 371 . 1 1 36 36 LEU CA C 13 53.623 0.01 . . . . . A 36 LEU CA . 18904 1 372 . 1 1 36 36 LEU CB C 13 43.813 0.01 . . . . . A 36 LEU CB . 18904 1 373 . 1 1 36 36 LEU CG C 13 27.572 0.01 . . . . . A 36 LEU CG . 18904 1 374 . 1 1 36 36 LEU CD1 C 13 24.308 0.01 . . . . . A 36 LEU CD1 . 18904 1 375 . 1 1 36 36 LEU CD2 C 13 25.671 0.01 . . . . . A 36 LEU CD2 . 18904 1 376 . 1 1 36 36 LEU N N 15 122.708 0.01 . . . . . A 36 LEU N . 18904 1 377 . 1 1 37 37 PHE H H 1 9.365 0.01 . . . . . A 37 PHE H . 18904 1 378 . 1 1 37 37 PHE HA H 1 4.992 0.01 . . . . . A 37 PHE HA . 18904 1 379 . 1 1 37 37 PHE HB2 H 1 3.039 0.01 . . . . . A 37 PHE HB2 . 18904 1 380 . 1 1 37 37 PHE HB3 H 1 2.798 0.01 . . . . . A 37 PHE HB3 . 18904 1 381 . 1 1 37 37 PHE HD1 H 1 6.831 0.01 . . . . . A 37 PHE HD1 . 18904 1 382 . 1 1 37 37 PHE HD2 H 1 6.831 0.01 . . . . . A 37 PHE HD2 . 18904 1 383 . 1 1 37 37 PHE HE1 H 1 6.845 0.01 . . . . . A 37 PHE HE1 . 18904 1 384 . 1 1 37 37 PHE HE2 H 1 6.845 0.01 . . . . . A 37 PHE HE2 . 18904 1 385 . 1 1 37 37 PHE HZ H 1 6.085 0.01 . . . . . A 37 PHE HZ . 18904 1 386 . 1 1 37 37 PHE CA C 13 53.296 0.01 . . . . . A 37 PHE CA . 18904 1 387 . 1 1 37 37 PHE CB C 13 40.052 0.01 . . . . . A 37 PHE CB . 18904 1 388 . 1 1 37 37 PHE CD2 C 13 130.667 0.01 . . . . . A 37 PHE CD2 . 18904 1 389 . 1 1 37 37 PHE CE2 C 13 129.48 0.01 . . . . . A 37 PHE CE2 . 18904 1 390 . 1 1 37 37 PHE CZ C 13 128.43 0.01 . . . . . A 37 PHE CZ . 18904 1 391 . 1 1 37 37 PHE N N 15 129.97 0.01 . . . . . A 37 PHE N . 18904 1 392 . 1 1 38 38 ARG H H 1 9.127 0.01 . . . . . A 38 ARG H . 18904 1 393 . 1 1 38 38 ARG HA H 1 4.628 0.01 . . . . . A 38 ARG HA . 18904 1 394 . 1 1 38 38 ARG HB2 H 1 1.574 0.01 . . . . . A 38 ARG HB2 . 18904 1 395 . 1 1 38 38 ARG HB3 H 1 1.463 0.01 . . . . . A 38 ARG HB3 . 18904 1 396 . 1 1 38 38 ARG HG2 H 1 1.287 0.01 . . . . . A 38 ARG HG2 . 18904 1 397 . 1 1 38 38 ARG HG3 H 1 1.286 0.01 . . . . . A 38 ARG HG3 . 18904 1 398 . 1 1 38 38 ARG HD2 H 1 3.045 0.01 . . . . . A 38 ARG HD2 . 18904 1 399 . 1 1 38 38 ARG HD3 H 1 2.981 0.01 . . . . . A 38 ARG HD3 . 18904 1 400 . 1 1 38 38 ARG HE H 1 7.144 0.01 . . . . . A 38 ARG HE . 18904 1 401 . 1 1 38 38 ARG CA C 13 55.245 0.01 . . . . . A 38 ARG CA . 18904 1 402 . 1 1 38 38 ARG CB C 13 31.575 0.01 . . . . . A 38 ARG CB . 18904 1 403 . 1 1 38 38 ARG CG C 13 27.837 0.01 . . . . . A 38 ARG CG . 18904 1 404 . 1 1 38 38 ARG CD C 13 42.902 0.01 . . . . . A 38 ARG CD . 18904 1 405 . 1 1 38 38 ARG N N 15 125.125 0.01 . . . . . A 38 ARG N . 18904 1 406 . 1 1 38 38 ARG NE N 15 85.287 0.01 . . . . . A 38 ARG NE . 18904 1 407 . 1 1 39 39 LEU H H 1 8.226 0.01 . . . . . A 39 LEU H . 18904 1 408 . 1 1 39 39 LEU HA H 1 4.222 0.01 . . . . . A 39 LEU HA . 18904 1 409 . 1 1 39 39 LEU HB2 H 1 1.749 0.01 . . . . . A 39 LEU HB2 . 18904 1 410 . 1 1 39 39 LEU HB3 H 1 1.493 0.01 . . . . . A 39 LEU HB3 . 18904 1 411 . 1 1 39 39 LEU HG H 1 1.378 0.01 . . . . . A 39 LEU HG . 18904 1 412 . 1 1 39 39 LEU HD11 H 1 0.351 0.01 . . . . . A 39 LEU HD11 . 18904 1 413 . 1 1 39 39 LEU HD12 H 1 0.351 0.01 . . . . . A 39 LEU HD12 . 18904 1 414 . 1 1 39 39 LEU HD13 H 1 0.351 0.01 . . . . . A 39 LEU HD13 . 18904 1 415 . 1 1 39 39 LEU HD21 H 1 0.64 0.01 . . . . . A 39 LEU HD21 . 18904 1 416 . 1 1 39 39 LEU HD22 H 1 0.64 0.01 . . . . . A 39 LEU HD22 . 18904 1 417 . 1 1 39 39 LEU HD23 H 1 0.64 0.01 . . . . . A 39 LEU HD23 . 18904 1 418 . 1 1 39 39 LEU CA C 13 57.576 0.01 . . . . . A 39 LEU CA . 18904 1 419 . 1 1 39 39 LEU CB C 13 41.99 0.01 . . . . . A 39 LEU CB . 18904 1 420 . 1 1 39 39 LEU CG C 13 19.501 0.01 . . . . . A 39 LEU CG . 18904 1 421 . 1 1 39 39 LEU CD1 C 13 26.41 0.01 . . . . . A 39 LEU CD1 . 18904 1 422 . 1 1 39 39 LEU CD2 C 13 23.07 0.01 . . . . . A 39 LEU CD2 . 18904 1 423 . 1 1 39 39 LEU N N 15 125.298 0.01 . . . . . A 39 LEU N . 18904 1 424 . 1 1 40 40 GLY H H 1 9.202 0.01 . . . . . A 40 GLY H . 18904 1 425 . 1 1 40 40 GLY HA2 H 1 3.816 0.01 . . . . . A 40 GLY HA2 . 18904 1 426 . 1 1 40 40 GLY HA3 H 1 4.123 0.01 . . . . . A 40 GLY HA3 . 18904 1 427 . 1 1 40 40 GLY CA C 13 46.651 0.01 . . . . . A 40 GLY CA . 18904 1 428 . 1 1 40 40 GLY N N 15 108.053 0.01 . . . . . A 40 GLY N . 18904 1 429 . 1 1 41 41 ASP H H 1 7.865 0.01 . . . . . A 41 ASP H . 18904 1 430 . 1 1 41 41 ASP HA H 1 4.648 0.01 . . . . . A 41 ASP HA . 18904 1 431 . 1 1 41 41 ASP HB2 H 1 2.803 0.01 . . . . . A 41 ASP HB2 . 18904 1 432 . 1 1 41 41 ASP HB3 H 1 2.154 0.01 . . . . . A 41 ASP HB3 . 18904 1 433 . 1 1 41 41 ASP CA C 13 52.623 0.01 . . . . . A 41 ASP CA . 18904 1 434 . 1 1 41 41 ASP CB C 13 41.116 0.01 . . . . . A 41 ASP CB . 18904 1 435 . 1 1 41 41 ASP N N 15 120.755 0.01 . . . . . A 41 ASP N . 18904 1 436 . 1 1 42 42 ALA H H 1 8.665 0.01 . . . . . A 42 ALA H . 18904 1 437 . 1 1 42 42 ALA HA H 1 3.937 0.01 . . . . . A 42 ALA HA . 18904 1 438 . 1 1 42 42 ALA HB1 H 1 1.347 0.01 . . . . . A 42 ALA HB1 . 18904 1 439 . 1 1 42 42 ALA HB2 H 1 1.347 0.01 . . . . . A 42 ALA HB2 . 18904 1 440 . 1 1 42 42 ALA HB3 H 1 1.347 0.01 . . . . . A 42 ALA HB3 . 18904 1 441 . 1 1 42 42 ALA CA C 13 53.716 0.01 . . . . . A 42 ALA CA . 18904 1 442 . 1 1 42 42 ALA CB C 13 16.936 0.01 . . . . . A 42 ALA CB . 18904 1 443 . 1 1 42 42 ALA N N 15 121.385 0.01 . . . . . A 42 ALA N . 18904 1 444 . 1 1 43 43 SER H H 1 8.579 0.01 . . . . . A 43 SER H . 18904 1 445 . 1 1 43 43 SER HA H 1 4.041 0.01 . . . . . A 43 SER HA . 18904 1 446 . 1 1 43 43 SER HB2 H 1 3.68 0.01 . . . . . A 43 SER HB2 . 18904 1 447 . 1 1 43 43 SER HB3 H 1 3.942 0.01 . . . . . A 43 SER HB3 . 18904 1 448 . 1 1 43 43 SER CA C 13 60.78 0.01 . . . . . A 43 SER CA . 18904 1 449 . 1 1 43 43 SER CB C 13 62.528 0.01 . . . . . A 43 SER CB . 18904 1 450 . 1 1 43 43 SER N N 15 117.944 0.01 . . . . . A 43 SER N . 18904 1 451 . 1 1 44 44 LEU H H 1 8.734 0.01 . . . . . A 44 LEU H . 18904 1 452 . 1 1 44 44 LEU HA H 1 4.408 0.01 . . . . . A 44 LEU HA . 18904 1 453 . 1 1 44 44 LEU HB2 H 1 1.745 0.01 . . . . . A 44 LEU HB2 . 18904 1 454 . 1 1 44 44 LEU HB3 H 1 1.015 0.01 . . . . . A 44 LEU HB3 . 18904 1 455 . 1 1 44 44 LEU HG H 1 1.011 0.01 . . . . . A 44 LEU HG . 18904 1 456 . 1 1 44 44 LEU HD11 H 1 0.13 0.01 . . . . . A 44 LEU HD11 . 18904 1 457 . 1 1 44 44 LEU HD12 H 1 0.13 0.01 . . . . . A 44 LEU HD12 . 18904 1 458 . 1 1 44 44 LEU HD13 H 1 0.13 0.01 . . . . . A 44 LEU HD13 . 18904 1 459 . 1 1 44 44 LEU HD21 H 1 0.351 0.01 . . . . . A 44 LEU HD21 . 18904 1 460 . 1 1 44 44 LEU HD22 H 1 0.351 0.01 . . . . . A 44 LEU HD22 . 18904 1 461 . 1 1 44 44 LEU HD23 H 1 0.351 0.01 . . . . . A 44 LEU HD23 . 18904 1 462 . 1 1 44 44 LEU CA C 13 52.56 0.01 . . . . . A 44 LEU CA . 18904 1 463 . 1 1 44 44 LEU CB C 13 44.16 0.01 . . . . . A 44 LEU CB . 18904 1 464 . 1 1 44 44 LEU CG C 13 27.902 0.01 . . . . . A 44 LEU CG . 18904 1 465 . 1 1 44 44 LEU CD1 C 13 21.846 0.01 . . . . . A 44 LEU CD1 . 18904 1 466 . 1 1 44 44 LEU CD2 C 13 26.412 0.01 . . . . . A 44 LEU CD2 . 18904 1 467 . 1 1 44 44 LEU N N 15 125.72 0.01 . . . . . A 44 LEU N . 18904 1 468 . 1 1 45 45 SER H H 1 7.875 0.01 . . . . . A 45 SER H . 18904 1 469 . 1 1 45 45 SER HA H 1 4.085 0.01 . . . . . A 45 SER HA . 18904 1 470 . 1 1 45 45 SER HB2 H 1 3.981 0.01 . . . . . A 45 SER HB2 . 18904 1 471 . 1 1 45 45 SER HB3 H 1 3.678 0.01 . . . . . A 45 SER HB3 . 18904 1 472 . 1 1 45 45 SER CA C 13 57.503 0.01 . . . . . A 45 SER CA . 18904 1 473 . 1 1 45 45 SER CB C 13 64.64 0.01 . . . . . A 45 SER CB . 18904 1 474 . 1 1 45 45 SER N N 15 116.732 0.01 . . . . . A 45 SER N . 18904 1 475 . 1 1 46 46 GLU H H 1 8.83 0.01 . . . . . A 46 GLU H . 18904 1 476 . 1 1 46 46 GLU HA H 1 3.812 0.01 . . . . . A 46 GLU HA . 18904 1 477 . 1 1 46 46 GLU HB2 H 1 1.905 0.01 . . . . . A 46 GLU HB2 . 18904 1 478 . 1 1 46 46 GLU HB3 H 1 1.831 0.01 . . . . . A 46 GLU HB3 . 18904 1 479 . 1 1 46 46 GLU HG2 H 1 2.184 0.01 . . . . . A 46 GLU HG2 . 18904 1 480 . 1 1 46 46 GLU HG3 H 1 2.062 0.01 . . . . . A 46 GLU HG3 . 18904 1 481 . 1 1 46 46 GLU CA C 13 59.833 0.01 . . . . . A 46 GLU CA . 18904 1 482 . 1 1 46 46 GLU CB C 13 29.746 0.01 . . . . . A 46 GLU CB . 18904 1 483 . 1 1 46 46 GLU CG C 13 36.56 0.01 . . . . . A 46 GLU CG . 18904 1 484 . 1 1 46 46 GLU N N 15 123.756 0.01 . . . . . A 46 GLU N . 18904 1 485 . 1 1 47 47 GLY H H 1 8.5 0.01 . . . . . A 47 GLY H . 18904 1 486 . 1 1 47 47 GLY HA2 H 1 3.526 0.01 . . . . . A 47 GLY HA2 . 18904 1 487 . 1 1 47 47 GLY HA3 H 1 3.675 0.01 . . . . . A 47 GLY HA3 . 18904 1 488 . 1 1 47 47 GLY CA C 13 46.942 0.01 . . . . . A 47 GLY CA . 18904 1 489 . 1 1 47 47 GLY N N 15 105.309 0.01 . . . . . A 47 GLY N . 18904 1 490 . 1 1 48 48 LEU H H 1 7.418 0.01 . . . . . A 48 LEU H . 18904 1 491 . 1 1 48 48 LEU HA H 1 3.708 0.01 . . . . . A 48 LEU HA . 18904 1 492 . 1 1 48 48 LEU HB2 H 1 1.51 0.01 . . . . . A 48 LEU HB2 . 18904 1 493 . 1 1 48 48 LEU HB3 H 1 1.078 0.01 . . . . . A 48 LEU HB3 . 18904 1 494 . 1 1 48 48 LEU HG H 1 1.02 0.01 . . . . . A 48 LEU HG . 18904 1 495 . 1 1 48 48 LEU HD11 H 1 0.316 0.01 . . . . . A 48 LEU HD11 . 18904 1 496 . 1 1 48 48 LEU HD12 H 1 0.316 0.01 . . . . . A 48 LEU HD12 . 18904 1 497 . 1 1 48 48 LEU HD13 H 1 0.316 0.01 . . . . . A 48 LEU HD13 . 18904 1 498 . 1 1 48 48 LEU HD21 H 1 0.585 0.01 . . . . . A 48 LEU HD21 . 18904 1 499 . 1 1 48 48 LEU HD22 H 1 0.585 0.01 . . . . . A 48 LEU HD22 . 18904 1 500 . 1 1 48 48 LEU HD23 H 1 0.585 0.01 . . . . . A 48 LEU HD23 . 18904 1 501 . 1 1 48 48 LEU CA C 13 58.741 0.01 . . . . . A 48 LEU CA . 18904 1 502 . 1 1 48 48 LEU CB C 13 41.626 0.01 . . . . . A 48 LEU CB . 18904 1 503 . 1 1 48 48 LEU CG C 13 27.945 0.01 . . . . . A 48 LEU CG . 18904 1 504 . 1 1 48 48 LEU CD1 C 13 24.234 0.01 . . . . . A 48 LEU CD1 . 18904 1 505 . 1 1 48 48 LEU CD2 C 13 26.505 0.01 . . . . . A 48 LEU CD2 . 18904 1 506 . 1 1 48 48 LEU N N 15 124.642 0.01 . . . . . A 48 LEU N . 18904 1 507 . 1 1 49 49 GLU H H 1 8.134 0.01 . . . . . A 49 GLU H . 18904 1 508 . 1 1 49 49 GLU HA H 1 3.286 0.01 . . . . . A 49 GLU HA . 18904 1 509 . 1 1 49 49 GLU HB2 H 1 1.995 0.01 . . . . . A 49 GLU HB2 . 18904 1 510 . 1 1 49 49 GLU HB3 H 1 1.779 0.01 . . . . . A 49 GLU HB3 . 18904 1 511 . 1 1 49 49 GLU HG2 H 1 2.551 0.01 . . . . . A 49 GLU HG2 . 18904 1 512 . 1 1 49 49 GLU HG3 H 1 2.5 0.01 . . . . . A 49 GLU HG3 . 18904 1 513 . 1 1 49 49 GLU CA C 13 62.018 0.01 . . . . . A 49 GLU CA . 18904 1 514 . 1 1 49 49 GLU CB C 13 29.609 0.01 . . . . . A 49 GLU CB . 18904 1 515 . 1 1 49 49 GLU CG C 13 38.13 0.01 . . . . . A 49 GLU CG . 18904 1 516 . 1 1 49 49 GLU N N 15 118.015 0.01 . . . . . A 49 GLU N . 18904 1 517 . 1 1 50 50 GLN H H 1 7.976 0.01 . . . . . A 50 GLN H . 18904 1 518 . 1 1 50 50 GLN HA H 1 3.596 0.01 . . . . . A 50 GLN HA . 18904 1 519 . 1 1 50 50 GLN HB2 H 1 1.825 0.01 . . . . . A 50 GLN HB2 . 18904 1 520 . 1 1 50 50 GLN HB3 H 1 1.695 0.01 . . . . . A 50 GLN HB3 . 18904 1 521 . 1 1 50 50 GLN HG2 H 1 2.149 0.01 . . . . . A 50 GLN HG2 . 18904 1 522 . 1 1 50 50 GLN HG3 H 1 2.148 0.01 . . . . . A 50 GLN HG3 . 18904 1 523 . 1 1 50 50 GLN HE21 H 1 6.563 0.01 . . . . . A 50 GLN HE21 . 18904 1 524 . 1 1 50 50 GLN HE22 H 1 7.289 0.01 . . . . . A 50 GLN HE22 . 18904 1 525 . 1 1 50 50 GLN CA C 13 58.523 0.01 . . . . . A 50 GLN CA . 18904 1 526 . 1 1 50 50 GLN CB C 13 28.444 0.01 . . . . . A 50 GLN CB . 18904 1 527 . 1 1 50 50 GLN CG C 13 33.8 0.01 . . . . . A 50 GLN CG . 18904 1 528 . 1 1 50 50 GLN N N 15 113.9 0.01 . . . . . A 50 GLN N . 18904 1 529 . 1 1 50 50 GLN NE2 N 15 112.952 0.01 . . . . . A 50 GLN NE2 . 18904 1 530 . 1 1 51 51 HIS H H 1 6.921 0.01 . . . . . A 51 HIS H . 18904 1 531 . 1 1 51 51 HIS HA H 1 3.869 0.01 . . . . . A 51 HIS HA . 18904 1 532 . 1 1 51 51 HIS HB2 H 1 2.141 0.01 . . . . . A 51 HIS HB2 . 18904 1 533 . 1 1 51 51 HIS HB3 H 1 1.828 0.01 . . . . . A 51 HIS HB3 . 18904 1 534 . 1 1 51 51 HIS HD2 H 1 6.72 0.01 . . . . . A 51 HIS HD2 . 18904 1 535 . 1 1 51 51 HIS HE1 H 1 7.962 0.01 . . . . . A 51 HIS HE1 . 18904 1 536 . 1 1 51 51 HIS CA C 13 58.377 0.01 . . . . . A 51 HIS CA . 18904 1 537 . 1 1 51 51 HIS CB C 13 29.39 0.01 . . . . . A 51 HIS CB . 18904 1 538 . 1 1 51 51 HIS CD2 C 13 117.765 0.01 . . . . . A 51 HIS CD2 . 18904 1 539 . 1 1 51 51 HIS CE1 C 13 136.801 0.01 . . . . . A 51 HIS CE1 . 18904 1 540 . 1 1 51 51 HIS N N 15 113.828 0.01 . . . . . A 51 HIS N . 18904 1 541 . 1 1 52 52 LEU H H 1 7.247 0.01 . . . . . A 52 LEU H . 18904 1 542 . 1 1 52 52 LEU HA H 1 4.23 0.01 . . . . . A 52 LEU HA . 18904 1 543 . 1 1 52 52 LEU HB2 H 1 1.69 0.01 . . . . . A 52 LEU HB2 . 18904 1 544 . 1 1 52 52 LEU HB3 H 1 1.17 0.01 . . . . . A 52 LEU HB3 . 18904 1 545 . 1 1 52 52 LEU HG H 1 1.437 0.01 . . . . . A 52 LEU HG . 18904 1 546 . 1 1 52 52 LEU HD11 H 1 0.459 0.01 . . . . . A 52 LEU HD11 . 18904 1 547 . 1 1 52 52 LEU HD12 H 1 0.459 0.01 . . . . . A 52 LEU HD12 . 18904 1 548 . 1 1 52 52 LEU HD13 H 1 0.459 0.01 . . . . . A 52 LEU HD13 . 18904 1 549 . 1 1 52 52 LEU HD21 H 1 0.6 0.01 . . . . . A 52 LEU HD21 . 18904 1 550 . 1 1 52 52 LEU HD22 H 1 0.6 0.01 . . . . . A 52 LEU HD22 . 18904 1 551 . 1 1 52 52 LEU HD23 H 1 0.6 0.01 . . . . . A 52 LEU HD23 . 18904 1 552 . 1 1 52 52 LEU CA C 13 55.172 0.01 . . . . . A 52 LEU CA . 18904 1 553 . 1 1 52 52 LEU CB C 13 44.029 0.01 . . . . . A 52 LEU CB . 18904 1 554 . 1 1 52 52 LEU CG C 13 26.36 0.01 . . . . . A 52 LEU CG . 18904 1 555 . 1 1 52 52 LEU CD1 C 13 23.66 0.01 . . . . . A 52 LEU CD1 . 18904 1 556 . 1 1 52 52 LEU CD2 C 13 27 0.01 . . . . . A 52 LEU CD2 . 18904 1 557 . 1 1 52 52 LEU N N 15 118.722 0.01 . . . . . A 52 LEU N . 18904 1 558 . 1 1 53 53 LEU H H 1 6.912 0.01 . . . . . A 53 LEU H . 18904 1 559 . 1 1 53 53 LEU HA H 1 3.336 0.01 . . . . . A 53 LEU HA . 18904 1 560 . 1 1 53 53 LEU HB2 H 1 1.331 0.01 . . . . . A 53 LEU HB2 . 18904 1 561 . 1 1 53 53 LEU HB3 H 1 1.184 0.01 . . . . . A 53 LEU HB3 . 18904 1 562 . 1 1 53 53 LEU HG H 1 1.447 0.01 . . . . . A 53 LEU HG . 18904 1 563 . 1 1 53 53 LEU HD11 H 1 0.462 0.01 . . . . . A 53 LEU HD11 . 18904 1 564 . 1 1 53 53 LEU HD12 H 1 0.462 0.01 . . . . . A 53 LEU HD12 . 18904 1 565 . 1 1 53 53 LEU HD13 H 1 0.462 0.01 . . . . . A 53 LEU HD13 . 18904 1 566 . 1 1 53 53 LEU HD21 H 1 0.626 0.01 . . . . . A 53 LEU HD21 . 18904 1 567 . 1 1 53 53 LEU HD22 H 1 0.626 0.01 . . . . . A 53 LEU HD22 . 18904 1 568 . 1 1 53 53 LEU HD23 H 1 0.626 0.01 . . . . . A 53 LEU HD23 . 18904 1 569 . 1 1 53 53 LEU CA C 13 56.775 0.01 . . . . . A 53 LEU CA . 18904 1 570 . 1 1 53 53 LEU CB C 13 42.209 0.01 . . . . . A 53 LEU CB . 18904 1 571 . 1 1 53 53 LEU CG C 13 26.357 0.01 . . . . . A 53 LEU CG . 18904 1 572 . 1 1 53 53 LEU CD1 C 13 23.615 0.01 . . . . . A 53 LEU CD1 . 18904 1 573 . 1 1 53 53 LEU CD2 C 13 25.246 0.01 . . . . . A 53 LEU CD2 . 18904 1 574 . 1 1 53 53 LEU N N 15 118.011 0.01 . . . . . A 53 LEU N . 18904 1 575 . 1 1 54 54 GLY H H 1 8.874 0.01 . . . . . A 54 GLY H . 18904 1 576 . 1 1 54 54 GLY HA2 H 1 3.44 0.01 . . . . . A 54 GLY HA2 . 18904 1 577 . 1 1 54 54 GLY HA3 H 1 4.105 0.01 . . . . . A 54 GLY HA3 . 18904 1 578 . 1 1 54 54 GLY CA C 13 45.267 0.01 . . . . . A 54 GLY CA . 18904 1 579 . 1 1 54 54 GLY N N 15 110.875 0.01 . . . . . A 54 GLY N . 18904 1 580 . 1 1 55 55 LEU H H 1 7.441 0.01 . . . . . A 55 LEU H . 18904 1 581 . 1 1 55 55 LEU HA H 1 4.26 0.01 . . . . . A 55 LEU HA . 18904 1 582 . 1 1 55 55 LEU HB2 H 1 1.646 0.01 . . . . . A 55 LEU HB2 . 18904 1 583 . 1 1 55 55 LEU HB3 H 1 1.479 0.01 . . . . . A 55 LEU HB3 . 18904 1 584 . 1 1 55 55 LEU HG H 1 1.178 0.01 . . . . . A 55 LEU HG . 18904 1 585 . 1 1 55 55 LEU HD11 H 1 0.684 0.01 . . . . . A 55 LEU HD11 . 18904 1 586 . 1 1 55 55 LEU HD12 H 1 0.684 0.01 . . . . . A 55 LEU HD12 . 18904 1 587 . 1 1 55 55 LEU HD13 H 1 0.684 0.01 . . . . . A 55 LEU HD13 . 18904 1 588 . 1 1 55 55 LEU HD21 H 1 0.761 0.01 . . . . . A 55 LEU HD21 . 18904 1 589 . 1 1 55 55 LEU HD22 H 1 0.761 0.01 . . . . . A 55 LEU HD22 . 18904 1 590 . 1 1 55 55 LEU HD23 H 1 0.761 0.01 . . . . . A 55 LEU HD23 . 18904 1 591 . 1 1 55 55 LEU CA C 13 55.755 0.01 . . . . . A 55 LEU CA . 18904 1 592 . 1 1 55 55 LEU CB C 13 42.791 0.01 . . . . . A 55 LEU CB . 18904 1 593 . 1 1 55 55 LEU CG C 13 22.95 0.01 . . . . . A 55 LEU CG . 18904 1 594 . 1 1 55 55 LEU CD1 C 13 22.03 0.01 . . . . . A 55 LEU CD1 . 18904 1 595 . 1 1 55 55 LEU CD2 C 13 22.32 0.01 . . . . . A 55 LEU CD2 . 18904 1 596 . 1 1 55 55 LEU N N 15 120.722 0.01 . . . . . A 55 LEU N . 18904 1 597 . 1 1 56 56 LYS H H 1 8.969 0.01 . . . . . A 56 LYS H . 18904 1 598 . 1 1 56 56 LYS HA H 1 4.615 0.01 . . . . . A 56 LYS HA . 18904 1 599 . 1 1 56 56 LYS HB2 H 1 1.717 0.01 . . . . . A 56 LYS HB2 . 18904 1 600 . 1 1 56 56 LYS HB3 H 1 1.519 0.01 . . . . . A 56 LYS HB3 . 18904 1 601 . 1 1 56 56 LYS HG2 H 1 1.384 0.01 . . . . . A 56 LYS HG2 . 18904 1 602 . 1 1 56 56 LYS HG3 H 1 1.286 0.01 . . . . . A 56 LYS HG3 . 18904 1 603 . 1 1 56 56 LYS HD2 H 1 1.552 0.01 . . . . . A 56 LYS HD2 . 18904 1 604 . 1 1 56 56 LYS HD3 H 1 1.551 0.01 . . . . . A 56 LYS HD3 . 18904 1 605 . 1 1 56 56 LYS HE2 H 1 2.882 0.01 . . . . . A 56 LYS HE2 . 18904 1 606 . 1 1 56 56 LYS HE3 H 1 2.882 0.01 . . . . . A 56 LYS HE3 . 18904 1 607 . 1 1 56 56 LYS HZ1 H 1 6.741 0.01 . . . . . A 56 LYS HZ1 . 18904 1 608 . 1 1 56 56 LYS HZ2 H 1 6.741 0.01 . . . . . A 56 LYS HZ2 . 18904 1 609 . 1 1 56 56 LYS HZ3 H 1 6.741 0.01 . . . . . A 56 LYS HZ3 . 18904 1 610 . 1 1 56 56 LYS CA C 13 54.371 0.01 . . . . . A 56 LYS CA . 18904 1 611 . 1 1 56 56 LYS CB C 13 35.362 0.01 . . . . . A 56 LYS CB . 18904 1 612 . 1 1 56 56 LYS CG C 13 24.715 0.01 . . . . . A 56 LYS CG . 18904 1 613 . 1 1 56 56 LYS CE C 13 41.805 0.01 . . . . . A 56 LYS CE . 18904 1 614 . 1 1 56 56 LYS N N 15 119.325 0.01 . . . . . A 56 LYS N . 18904 1 615 . 1 1 57 57 VAL H H 1 8.337 0.01 . . . . . A 57 VAL H . 18904 1 616 . 1 1 57 57 VAL HA H 1 3.059 0.01 . . . . . A 57 VAL HA . 18904 1 617 . 1 1 57 57 VAL HB H 1 1.763 0.01 . . . . . A 57 VAL HB . 18904 1 618 . 1 1 57 57 VAL HG11 H 1 0.78 0.01 . . . . . A 57 VAL HG11 . 18904 1 619 . 1 1 57 57 VAL HG12 H 1 0.78 0.01 . . . . . A 57 VAL HG12 . 18904 1 620 . 1 1 57 57 VAL HG13 H 1 0.78 0.01 . . . . . A 57 VAL HG13 . 18904 1 621 . 1 1 57 57 VAL HG21 H 1 0.847 0.01 . . . . . A 57 VAL HG21 . 18904 1 622 . 1 1 57 57 VAL HG22 H 1 0.847 0.01 . . . . . A 57 VAL HG22 . 18904 1 623 . 1 1 57 57 VAL HG23 H 1 0.847 0.01 . . . . . A 57 VAL HG23 . 18904 1 624 . 1 1 57 57 VAL CA C 13 66.607 0.01 . . . . . A 57 VAL CA . 18904 1 625 . 1 1 57 57 VAL CB C 13 31.284 0.01 . . . . . A 57 VAL CB . 18904 1 626 . 1 1 57 57 VAL CG1 C 13 21.328 0.01 . . . . . A 57 VAL CG1 . 18904 1 627 . 1 1 57 57 VAL CG2 C 13 23.386 0.01 . . . . . A 57 VAL CG2 . 18904 1 628 . 1 1 57 57 VAL N N 15 119.835 0.01 . . . . . A 57 VAL N . 18904 1 629 . 1 1 58 58 GLY H H 1 8.513 0.01 . . . . . A 58 GLY H . 18904 1 630 . 1 1 58 58 GLY HA2 H 1 3.814 0.01 . . . . . A 58 GLY HA2 . 18904 1 631 . 1 1 58 58 GLY HA3 H 1 4.321 0.01 . . . . . A 58 GLY HA3 . 18904 1 632 . 1 1 58 58 GLY CA C 13 44.83 0.01 . . . . . A 58 GLY CA . 18904 1 633 . 1 1 58 58 GLY N N 15 117.426 0.01 . . . . . A 58 GLY N . 18904 1 634 . 1 1 59 59 ASP H H 1 8.171 0.01 . . . . . A 59 ASP H . 18904 1 635 . 1 1 59 59 ASP HA H 1 4.539 0.01 . . . . . A 59 ASP HA . 18904 1 636 . 1 1 59 59 ASP HB2 H 1 3.005 0.01 . . . . . A 59 ASP HB2 . 18904 1 637 . 1 1 59 59 ASP HB3 H 1 2.482 0.01 . . . . . A 59 ASP HB3 . 18904 1 638 . 1 1 59 59 ASP CA C 13 55.755 0.01 . . . . . A 59 ASP CA . 18904 1 639 . 1 1 59 59 ASP CB C 13 42.209 0.01 . . . . . A 59 ASP CB . 18904 1 640 . 1 1 59 59 ASP N N 15 122.373 0.01 . . . . . A 59 ASP N . 18904 1 641 . 1 1 60 60 LYS H H 1 8.094 0.01 . . . . . A 60 LYS H . 18904 1 642 . 1 1 60 60 LYS HA H 1 5.479 0.01 . . . . . A 60 LYS HA . 18904 1 643 . 1 1 60 60 LYS HB2 H 1 1.809 0.01 . . . . . A 60 LYS HB2 . 18904 1 644 . 1 1 60 60 LYS HB3 H 1 1.552 0.01 . . . . . A 60 LYS HB3 . 18904 1 645 . 1 1 60 60 LYS HG2 H 1 1.417 0.01 . . . . . A 60 LYS HG2 . 18904 1 646 . 1 1 60 60 LYS HG3 H 1 1.163 0.01 . . . . . A 60 LYS HG3 . 18904 1 647 . 1 1 60 60 LYS HD2 H 1 1.542 0.01 . . . . . A 60 LYS HD2 . 18904 1 648 . 1 1 60 60 LYS HD3 H 1 1.541 0.01 . . . . . A 60 LYS HD3 . 18904 1 649 . 1 1 60 60 LYS HE2 H 1 2.771 0.01 . . . . . A 60 LYS HE2 . 18904 1 650 . 1 1 60 60 LYS HE3 H 1 2.771 0.01 . . . . . A 60 LYS HE3 . 18904 1 651 . 1 1 60 60 LYS CA C 13 54.444 0.01 . . . . . A 60 LYS CA . 18904 1 652 . 1 1 60 60 LYS CB C 13 35.872 0.01 . . . . . A 60 LYS CB . 18904 1 653 . 1 1 60 60 LYS CG C 13 25.396 0.01 . . . . . A 60 LYS CG . 18904 1 654 . 1 1 60 60 LYS CD C 13 29.844 0.01 . . . . . A 60 LYS CD . 18904 1 655 . 1 1 60 60 LYS CE C 13 42.069 0.01 . . . . . A 60 LYS CE . 18904 1 656 . 1 1 60 60 LYS N N 15 118.821 0.01 . . . . . A 60 LYS N . 18904 1 657 . 1 1 61 61 THR H H 1 8.841 0.01 . . . . . A 61 THR H . 18904 1 658 . 1 1 61 61 THR HA H 1 4.862 0.01 . . . . . A 61 THR HA . 18904 1 659 . 1 1 61 61 THR HB H 1 4.021 0.01 . . . . . A 61 THR HB . 18904 1 660 . 1 1 61 61 THR HG21 H 1 1.148 0.01 . . . . . A 61 THR HG21 . 18904 1 661 . 1 1 61 61 THR HG22 H 1 1.148 0.01 . . . . . A 61 THR HG22 . 18904 1 662 . 1 1 61 61 THR HG23 H 1 1.148 0.01 . . . . . A 61 THR HG23 . 18904 1 663 . 1 1 61 61 THR CA C 13 59.979 0.01 . . . . . A 61 THR CA . 18904 1 664 . 1 1 61 61 THR CB C 13 69.666 0.01 . . . . . A 61 THR CB . 18904 1 665 . 1 1 61 61 THR CG2 C 13 20.609 0.01 . . . . . A 61 THR CG2 . 18904 1 666 . 1 1 61 61 THR N N 15 117.298 0.01 . . . . . A 61 THR N . 18904 1 667 . 1 1 62 62 THR H H 1 7.84 0.01 . . . . . A 62 THR H . 18904 1 668 . 1 1 62 62 THR HA H 1 5.475 0.01 . . . . . A 62 THR HA . 18904 1 669 . 1 1 62 62 THR HB H 1 3.994 0.01 . . . . . A 62 THR HB . 18904 1 670 . 1 1 62 62 THR HG21 H 1 1.131 0.01 . . . . . A 62 THR HG21 . 18904 1 671 . 1 1 62 62 THR HG22 H 1 1.131 0.01 . . . . . A 62 THR HG22 . 18904 1 672 . 1 1 62 62 THR HG23 H 1 1.131 0.01 . . . . . A 62 THR HG23 . 18904 1 673 . 1 1 62 62 THR CA C 13 59.906 0.01 . . . . . A 62 THR CA . 18904 1 674 . 1 1 62 62 THR CB C 13 71.905 0.01 . . . . . A 62 THR CB . 18904 1 675 . 1 1 62 62 THR CG2 C 13 21.52 0.01 . . . . . A 62 THR CG2 . 18904 1 676 . 1 1 62 62 THR N N 15 120.775 0.01 . . . . . A 62 THR N . 18904 1 677 . 1 1 63 63 PHE H H 1 8.031 0.01 . . . . . A 63 PHE H . 18904 1 678 . 1 1 63 63 PHE HA H 1 4.808 0.01 . . . . . A 63 PHE HA . 18904 1 679 . 1 1 63 63 PHE HB2 H 1 3.178 0.01 . . . . . A 63 PHE HB2 . 18904 1 680 . 1 1 63 63 PHE HB3 H 1 2.515 0.01 . . . . . A 63 PHE HB3 . 18904 1 681 . 1 1 63 63 PHE HD1 H 1 6.435 0.01 . . . . . A 63 PHE HD1 . 18904 1 682 . 1 1 63 63 PHE HD2 H 1 6.435 0.01 . . . . . A 63 PHE HD2 . 18904 1 683 . 1 1 63 63 PHE HE1 H 1 6.411 0.01 . . . . . A 63 PHE HE1 . 18904 1 684 . 1 1 63 63 PHE HE2 H 1 6.411 0.01 . . . . . A 63 PHE HE2 . 18904 1 685 . 1 1 63 63 PHE HZ H 1 6.255 0.01 . . . . . A 63 PHE HZ . 18904 1 686 . 1 1 63 63 PHE CA C 13 56.775 0.01 . . . . . A 63 PHE CA . 18904 1 687 . 1 1 63 63 PHE CB C 13 39.514 0.01 . . . . . A 63 PHE CB . 18904 1 688 . 1 1 63 63 PHE CD2 C 13 132.272 0.01 . . . . . A 63 PHE CD2 . 18904 1 689 . 1 1 63 63 PHE CE2 C 13 129.651 0.01 . . . . . A 63 PHE CE2 . 18904 1 690 . 1 1 63 63 PHE CZ C 13 128.35 0.01 . . . . . A 63 PHE CZ . 18904 1 691 . 1 1 63 63 PHE N N 15 119.424 0.01 . . . . . A 63 PHE N . 18904 1 692 . 1 1 64 64 SER H H 1 8.694 0.01 . . . . . A 64 SER H . 18904 1 693 . 1 1 64 64 SER HA H 1 5.402 0.01 . . . . . A 64 SER HA . 18904 1 694 . 1 1 64 64 SER HB2 H 1 3.423 0.01 . . . . . A 64 SER HB2 . 18904 1 695 . 1 1 64 64 SER HB3 H 1 3.293 0.01 . . . . . A 64 SER HB3 . 18904 1 696 . 1 1 64 64 SER CA C 13 56.92 0.01 . . . . . A 64 SER CA . 18904 1 697 . 1 1 64 64 SER CB C 13 65.223 0.01 . . . . . A 64 SER CB . 18904 1 698 . 1 1 64 64 SER N N 15 116.163 0.01 . . . . . A 64 SER N . 18904 1 699 . 1 1 65 65 LEU H H 1 8.756 0.01 . . . . . A 65 LEU H . 18904 1 700 . 1 1 65 65 LEU HA H 1 4.724 0.01 . . . . . A 65 LEU HA . 18904 1 701 . 1 1 65 65 LEU HB2 H 1 1.519 0.01 . . . . . A 65 LEU HB2 . 18904 1 702 . 1 1 65 65 LEU HB3 H 1 1.267 0.01 . . . . . A 65 LEU HB3 . 18904 1 703 . 1 1 65 65 LEU HG H 1 1.109 0.01 . . . . . A 65 LEU HG . 18904 1 704 . 1 1 65 65 LEU HD11 H 1 0.578 0.01 . . . . . A 65 LEU HD11 . 18904 1 705 . 1 1 65 65 LEU HD12 H 1 0.578 0.01 . . . . . A 65 LEU HD12 . 18904 1 706 . 1 1 65 65 LEU HD13 H 1 0.578 0.01 . . . . . A 65 LEU HD13 . 18904 1 707 . 1 1 65 65 LEU HD21 H 1 0.717 0.01 . . . . . A 65 LEU HD21 . 18904 1 708 . 1 1 65 65 LEU HD22 H 1 0.717 0.01 . . . . . A 65 LEU HD22 . 18904 1 709 . 1 1 65 65 LEU HD23 H 1 0.717 0.01 . . . . . A 65 LEU HD23 . 18904 1 710 . 1 1 65 65 LEU CA C 13 63.352 0.01 . . . . . A 65 LEU CA . 18904 1 711 . 1 1 65 65 LEU CB C 13 46.287 0.01 . . . . . A 65 LEU CB . 18904 1 712 . 1 1 65 65 LEU CG C 13 19.005 0.01 . . . . . A 65 LEU CG . 18904 1 713 . 1 1 65 65 LEU CD1 C 13 26.45 0.01 . . . . . A 65 LEU CD1 . 18904 1 714 . 1 1 65 65 LEU CD2 C 13 23.475 0.01 . . . . . A 65 LEU CD2 . 18904 1 715 . 1 1 65 65 LEU N N 15 121.877 0.01 . . . . . A 65 LEU N . 18904 1 716 . 1 1 66 66 GLU H H 1 8.392 0.01 . . . . . A 66 GLU H . 18904 1 717 . 1 1 66 66 GLU HA H 1 4.416 0.01 . . . . . A 66 GLU HA . 18904 1 718 . 1 1 66 66 GLU HB2 H 1 2.13 0.01 . . . . . A 66 GLU HB2 . 18904 1 719 . 1 1 66 66 GLU HB3 H 1 1.789 0.01 . . . . . A 66 GLU HB3 . 18904 1 720 . 1 1 66 66 GLU HG2 H 1 2.292 0.01 . . . . . A 66 GLU HG2 . 18904 1 721 . 1 1 66 66 GLU HG3 H 1 2.219 0.01 . . . . . A 66 GLU HG3 . 18904 1 722 . 1 1 66 66 GLU CA C 13 55.027 0.01 . . . . . A 66 GLU CA . 18904 1 723 . 1 1 66 66 GLU CB C 13 28.225 0.01 . . . . . A 66 GLU CB . 18904 1 724 . 1 1 66 66 GLU CG C 13 36.288 0.01 . . . . . A 66 GLU CG . 18904 1 725 . 1 1 66 66 GLU N N 15 121.187 0.01 . . . . . A 66 GLU N . 18904 1 726 . 1 1 67 67 PRO HA H 1 4.183 0.01 . . . . . A 67 PRO HA . 18904 1 727 . 1 1 67 67 PRO HB2 H 1 1.905 0.01 . . . . . A 67 PRO HB2 . 18904 1 728 . 1 1 67 67 PRO HB3 H 1 1.66 0.01 . . . . . A 67 PRO HB3 . 18904 1 729 . 1 1 67 67 PRO HG2 H 1 1.498 0.01 . . . . . A 67 PRO HG2 . 18904 1 730 . 1 1 67 67 PRO HG3 H 1 1.497 0.01 . . . . . A 67 PRO HG3 . 18904 1 731 . 1 1 67 67 PRO HD2 H 1 3.622 0.01 . . . . . A 67 PRO HD2 . 18904 1 732 . 1 1 67 67 PRO HD3 H 1 3.567 0.01 . . . . . A 67 PRO HD3 . 18904 1 733 . 1 1 67 67 PRO CA C 13 66.388 0.01 . . . . . A 67 PRO CA . 18904 1 734 . 1 1 67 67 PRO CB C 13 32.012 0.01 . . . . . A 67 PRO CB . 18904 1 735 . 1 1 67 67 PRO CG C 13 27.26 0.01 . . . . . A 67 PRO CG . 18904 1 736 . 1 1 67 67 PRO CD C 13 49.719 0.01 . . . . . A 67 PRO CD . 18904 1 737 . 1 1 68 68 ASP H H 1 8.416 0.01 . . . . . A 68 ASP H . 18904 1 738 . 1 1 68 68 ASP HA H 1 4.067 0.01 . . . . . A 68 ASP HA . 18904 1 739 . 1 1 68 68 ASP HB2 H 1 2.468 0.01 . . . . . A 68 ASP HB2 . 18904 1 740 . 1 1 68 68 ASP HB3 H 1 2.442 0.01 . . . . . A 68 ASP HB3 . 18904 1 741 . 1 1 68 68 ASP CA C 13 56.702 0.01 . . . . . A 68 ASP CA . 18904 1 742 . 1 1 68 68 ASP CB C 13 40.242 0.01 . . . . . A 68 ASP CB . 18904 1 743 . 1 1 68 68 ASP N N 15 114.053 0.01 . . . . . A 68 ASP N . 18904 1 744 . 1 1 69 69 ALA H H 1 7.498 0.01 . . . . . A 69 ALA H . 18904 1 745 . 1 1 69 69 ALA HA H 1 4.408 0.01 . . . . . A 69 ALA HA . 18904 1 746 . 1 1 69 69 ALA HB1 H 1 1.329 0.01 . . . . . A 69 ALA HB1 . 18904 1 747 . 1 1 69 69 ALA HB2 H 1 1.329 0.01 . . . . . A 69 ALA HB2 . 18904 1 748 . 1 1 69 69 ALA HB3 H 1 1.329 0.01 . . . . . A 69 ALA HB3 . 18904 1 749 . 1 1 69 69 ALA CA C 13 51.531 0.01 . . . . . A 69 ALA CA . 18904 1 750 . 1 1 69 69 ALA CB C 13 21.161 0.01 . . . . . A 69 ALA CB . 18904 1 751 . 1 1 69 69 ALA N N 15 121.272 0.01 . . . . . A 69 ALA N . 18904 1 752 . 1 1 70 70 ALA H H 1 7.485 0.01 . . . . . A 70 ALA H . 18904 1 753 . 1 1 70 70 ALA HA H 1 4.08 0.01 . . . . . A 70 ALA HA . 18904 1 754 . 1 1 70 70 ALA HB1 H 1 1.104 0.01 . . . . . A 70 ALA HB1 . 18904 1 755 . 1 1 70 70 ALA HB2 H 1 1.104 0.01 . . . . . A 70 ALA HB2 . 18904 1 756 . 1 1 70 70 ALA HB3 H 1 1.104 0.01 . . . . . A 70 ALA HB3 . 18904 1 757 . 1 1 70 70 ALA CA C 13 51.458 0.01 . . . . . A 70 ALA CA . 18904 1 758 . 1 1 70 70 ALA CB C 13 18.83 0.01 . . . . . A 70 ALA CB . 18904 1 759 . 1 1 70 70 ALA N N 15 125.277 0.01 . . . . . A 70 ALA N . 18904 1 760 . 1 1 71 71 PHE H H 1 8.306 0.01 . . . . . A 71 PHE H . 18904 1 761 . 1 1 71 71 PHE HA H 1 4.19 0.01 . . . . . A 71 PHE HA . 18904 1 762 . 1 1 71 71 PHE HB2 H 1 2.565 0.01 . . . . . A 71 PHE HB2 . 18904 1 763 . 1 1 71 71 PHE HB3 H 1 1.983 0.01 . . . . . A 71 PHE HB3 . 18904 1 764 . 1 1 71 71 PHE HD1 H 1 6.731 0.01 . . . . . A 71 PHE HD1 . 18904 1 765 . 1 1 71 71 PHE HD2 H 1 6.731 0.01 . . . . . A 71 PHE HD2 . 18904 1 766 . 1 1 71 71 PHE HE1 H 1 6.955 0.01 . . . . . A 71 PHE HE1 . 18904 1 767 . 1 1 71 71 PHE HE2 H 1 6.955 0.01 . . . . . A 71 PHE HE2 . 18904 1 768 . 1 1 71 71 PHE HZ H 1 6.8 0.01 . . . . . A 71 PHE HZ . 18904 1 769 . 1 1 71 71 PHE CA C 13 58.814 0.01 . . . . . A 71 PHE CA . 18904 1 770 . 1 1 71 71 PHE CB C 13 38.057 0.01 . . . . . A 71 PHE CB . 18904 1 771 . 1 1 71 71 PHE CD1 C 13 131.886 0.01 . . . . . A 71 PHE CD1 . 18904 1 772 . 1 1 71 71 PHE CE1 C 13 130.582 0.01 . . . . . A 71 PHE CE1 . 18904 1 773 . 1 1 71 71 PHE N N 15 119.747 0.01 . . . . . A 71 PHE N . 18904 1 774 . 1 1 72 72 GLY H H 1 8.185 0.01 . . . . . A 72 GLY H . 18904 1 775 . 1 1 72 72 GLY HA2 H 1 3.567 0.01 . . . . . A 72 GLY HA2 . 18904 1 776 . 1 1 72 72 GLY HA3 H 1 4.189 0.01 . . . . . A 72 GLY HA3 . 18904 1 777 . 1 1 72 72 GLY CA C 13 44.539 0.01 . . . . . A 72 GLY CA . 18904 1 778 . 1 1 72 72 GLY N N 15 109.338 0.01 . . . . . A 72 GLY N . 18904 1 779 . 1 1 73 73 VAL H H 1 8.24 0.01 . . . . . A 73 VAL H . 18904 1 780 . 1 1 73 73 VAL HA H 1 4.237 0.01 . . . . . A 73 VAL HA . 18904 1 781 . 1 1 73 73 VAL HB H 1 2.008 0.01 . . . . . A 73 VAL HB . 18904 1 782 . 1 1 73 73 VAL HG11 H 1 0.778 0.01 . . . . . A 73 VAL HG11 . 18904 1 783 . 1 1 73 73 VAL HG12 H 1 0.778 0.01 . . . . . A 73 VAL HG12 . 18904 1 784 . 1 1 73 73 VAL HG13 H 1 0.778 0.01 . . . . . A 73 VAL HG13 . 18904 1 785 . 1 1 73 73 VAL HG21 H 1 0.868 0.01 . . . . . A 73 VAL HG21 . 18904 1 786 . 1 1 73 73 VAL HG22 H 1 0.868 0.01 . . . . . A 73 VAL HG22 . 18904 1 787 . 1 1 73 73 VAL HG23 H 1 0.868 0.01 . . . . . A 73 VAL HG23 . 18904 1 788 . 1 1 73 73 VAL CA C 13 59.761 0.01 . . . . . A 73 VAL CA . 18904 1 789 . 1 1 73 73 VAL CB C 13 32.376 0.01 . . . . . A 73 VAL CB . 18904 1 790 . 1 1 73 73 VAL CG1 C 13 20.005 0.01 . . . . . A 73 VAL CG1 . 18904 1 791 . 1 1 73 73 VAL CG2 C 13 21.4 0.01 . . . . . A 73 VAL CG2 . 18904 1 792 . 1 1 73 73 VAL N N 15 117.266 0.01 . . . . . A 73 VAL N . 18904 1 793 . 1 1 74 74 PRO HA H 1 3.979 0.01 . . . . . A 74 PRO HA . 18904 1 794 . 1 1 74 74 PRO HB2 H 1 2.034 0.01 . . . . . A 74 PRO HB2 . 18904 1 795 . 1 1 74 74 PRO HB3 H 1 1.647 0.01 . . . . . A 74 PRO HB3 . 18904 1 796 . 1 1 74 74 PRO HG2 H 1 1.871 0.01 . . . . . A 74 PRO HG2 . 18904 1 797 . 1 1 74 74 PRO HG3 H 1 1.735 0.01 . . . . . A 74 PRO HG3 . 18904 1 798 . 1 1 74 74 PRO HD2 H 1 3.617 0.01 . . . . . A 74 PRO HD2 . 18904 1 799 . 1 1 74 74 PRO HD3 H 1 3.3 0.01 . . . . . A 74 PRO HD3 . 18904 1 800 . 1 1 74 74 PRO CA C 13 63.256 0.01 . . . . . A 74 PRO CA . 18904 1 801 . 1 1 74 74 PRO CB C 13 31.867 0.01 . . . . . A 74 PRO CB . 18904 1 802 . 1 1 74 74 PRO CG C 13 26.613 0.01 . . . . . A 74 PRO CG . 18904 1 803 . 1 1 74 74 PRO CD C 13 50.85 0.01 . . . . . A 74 PRO CD . 18904 1 804 . 1 1 75 75 SER H H 1 9.282 0.01 . . . . . A 75 SER H . 18904 1 805 . 1 1 75 75 SER HA H 1 5.083 0.01 . . . . . A 75 SER HA . 18904 1 806 . 1 1 75 75 SER HB2 H 1 3.91 0.01 . . . . . A 75 SER HB2 . 18904 1 807 . 1 1 75 75 SER HB3 H 1 3.683 0.01 . . . . . A 75 SER HB3 . 18904 1 808 . 1 1 75 75 SER CA C 13 53.716 0.01 . . . . . A 75 SER CA . 18904 1 809 . 1 1 75 75 SER CB C 13 65.369 0.01 . . . . . A 75 SER CB . 18904 1 810 . 1 1 75 75 SER N N 15 117.459 0.01 . . . . . A 75 SER N . 18904 1 811 . 1 1 76 76 PRO HA H 1 4.266 0.01 . . . . . A 76 PRO HA . 18904 1 812 . 1 1 76 76 PRO HB2 H 1 2.249 0.01 . . . . . A 76 PRO HB2 . 18904 1 813 . 1 1 76 76 PRO HB3 H 1 1.943 0.01 . . . . . A 76 PRO HB3 . 18904 1 814 . 1 1 76 76 PRO HG2 H 1 1.633 0.01 . . . . . A 76 PRO HG2 . 18904 1 815 . 1 1 76 76 PRO HG3 H 1 1.633 0.01 . . . . . A 76 PRO HG3 . 18904 1 816 . 1 1 76 76 PRO HD2 H 1 3.926 0.01 . . . . . A 76 PRO HD2 . 18904 1 817 . 1 1 76 76 PRO HD3 H 1 3.793 0.01 . . . . . A 76 PRO HD3 . 18904 1 818 . 1 1 76 76 PRO CA C 13 64.422 0.01 . . . . . A 76 PRO CA . 18904 1 819 . 1 1 76 76 PRO CB C 13 32.085 0.01 . . . . . A 76 PRO CB . 18904 1 820 . 1 1 76 76 PRO CG C 13 33.063 0.01 . . . . . A 76 PRO CG . 18904 1 821 . 1 1 76 76 PRO CD C 13 51.787 0.01 . . . . . A 76 PRO CD . 18904 1 822 . 1 1 77 77 ASP H H 1 7.778 0.01 . . . . . A 77 ASP H . 18904 1 823 . 1 1 77 77 ASP HA H 1 4.421 0.01 . . . . . A 77 ASP HA . 18904 1 824 . 1 1 77 77 ASP HB2 H 1 2.62 0.01 . . . . . A 77 ASP HB2 . 18904 1 825 . 1 1 77 77 ASP HB3 H 1 2.342 0.01 . . . . . A 77 ASP HB3 . 18904 1 826 . 1 1 77 77 ASP CA C 13 55.682 0.01 . . . . . A 77 ASP CA . 18904 1 827 . 1 1 77 77 ASP CB C 13 40.242 0.01 . . . . . A 77 ASP CB . 18904 1 828 . 1 1 77 77 ASP N N 15 116.66 0.01 . . . . . A 77 ASP N . 18904 1 829 . 1 1 78 78 LEU H H 1 7.194 0.01 . . . . . A 78 LEU H . 18904 1 830 . 1 1 78 78 LEU HA H 1 4.415 0.01 . . . . . A 78 LEU HA . 18904 1 831 . 1 1 78 78 LEU HB2 H 1 1.66 0.01 . . . . . A 78 LEU HB2 . 18904 1 832 . 1 1 78 78 LEU HB3 H 1 1.621 0.01 . . . . . A 78 LEU HB3 . 18904 1 833 . 1 1 78 78 LEU HG H 1 1.426 0.01 . . . . . A 78 LEU HG . 18904 1 834 . 1 1 78 78 LEU HD11 H 1 0.65 0.01 . . . . . A 78 LEU HD11 . 18904 1 835 . 1 1 78 78 LEU HD12 H 1 0.65 0.01 . . . . . A 78 LEU HD12 . 18904 1 836 . 1 1 78 78 LEU HD13 H 1 0.65 0.01 . . . . . A 78 LEU HD13 . 18904 1 837 . 1 1 78 78 LEU HD21 H 1 0.799 0.01 . . . . . A 78 LEU HD21 . 18904 1 838 . 1 1 78 78 LEU HD22 H 1 0.799 0.01 . . . . . A 78 LEU HD22 . 18904 1 839 . 1 1 78 78 LEU HD23 H 1 0.799 0.01 . . . . . A 78 LEU HD23 . 18904 1 840 . 1 1 78 78 LEU CA C 13 54.444 0.01 . . . . . A 78 LEU CA . 18904 1 841 . 1 1 78 78 LEU CB C 13 42.063 0.01 . . . . . A 78 LEU CB . 18904 1 842 . 1 1 78 78 LEU CG C 13 27 0.01 . . . . . A 78 LEU CG . 18904 1 843 . 1 1 78 78 LEU CD1 C 13 22.667 0.01 . . . . . A 78 LEU CD1 . 18904 1 844 . 1 1 78 78 LEU CD2 C 13 25.63 0.01 . . . . . A 78 LEU CD2 . 18904 1 845 . 1 1 78 78 LEU N N 15 118.72 0.01 . . . . . A 78 LEU N . 18904 1 846 . 1 1 79 79 ILE H H 1 7.077 0.01 . . . . . A 79 ILE H . 18904 1 847 . 1 1 79 79 ILE HA H 1 4.646 0.01 . . . . . A 79 ILE HA . 18904 1 848 . 1 1 79 79 ILE HB H 1 1.752 0.01 . . . . . A 79 ILE HB . 18904 1 849 . 1 1 79 79 ILE HG12 H 1 1.285 0.01 . . . . . A 79 ILE HG12 . 18904 1 850 . 1 1 79 79 ILE HG13 H 1 0.832 0.01 . . . . . A 79 ILE HG13 . 18904 1 851 . 1 1 79 79 ILE HG21 H 1 0.38 0.01 . . . . . A 79 ILE HG21 . 18904 1 852 . 1 1 79 79 ILE HG22 H 1 0.38 0.01 . . . . . A 79 ILE HG22 . 18904 1 853 . 1 1 79 79 ILE HG23 H 1 0.38 0.01 . . . . . A 79 ILE HG23 . 18904 1 854 . 1 1 79 79 ILE HD11 H 1 0.616 0.01 . . . . . A 79 ILE HD11 . 18904 1 855 . 1 1 79 79 ILE HD12 H 1 0.616 0.01 . . . . . A 79 ILE HD12 . 18904 1 856 . 1 1 79 79 ILE HD13 H 1 0.616 0.01 . . . . . A 79 ILE HD13 . 18904 1 857 . 1 1 79 79 ILE CA C 13 61.144 0.01 . . . . . A 79 ILE CA . 18904 1 858 . 1 1 79 79 ILE CB C 13 37.183 0.01 . . . . . A 79 ILE CB . 18904 1 859 . 1 1 79 79 ILE CG1 C 13 27.856 0.01 . . . . . A 79 ILE CG1 . 18904 1 860 . 1 1 79 79 ILE CG2 C 13 17.76 0.01 . . . . . A 79 ILE CG2 . 18904 1 861 . 1 1 79 79 ILE CD1 C 13 12.684 0.01 . . . . . A 79 ILE CD1 . 18904 1 862 . 1 1 79 79 ILE N N 15 122.393 0.01 . . . . . A 79 ILE N . 18904 1 863 . 1 1 80 80 GLN H H 1 8.838 0.01 . . . . . A 80 GLN H . 18904 1 864 . 1 1 80 80 GLN HA H 1 4.302 0.01 . . . . . A 80 GLN HA . 18904 1 865 . 1 1 80 80 GLN HB2 H 1 1.766 0.01 . . . . . A 80 GLN HB2 . 18904 1 866 . 1 1 80 80 GLN HB3 H 1 1.507 0.01 . . . . . A 80 GLN HB3 . 18904 1 867 . 1 1 80 80 GLN HG2 H 1 2.129 0.01 . . . . . A 80 GLN HG2 . 18904 1 868 . 1 1 80 80 GLN HG3 H 1 2.043 0.01 . . . . . A 80 GLN HG3 . 18904 1 869 . 1 1 80 80 GLN HE21 H 1 6.633 0.01 . . . . . A 80 GLN HE21 . 18904 1 870 . 1 1 80 80 GLN HE22 H 1 7.061 0.01 . . . . . A 80 GLN HE22 . 18904 1 871 . 1 1 80 80 GLN CA C 13 53.716 0.01 . . . . . A 80 GLN CA . 18904 1 872 . 1 1 80 80 GLN CB C 13 33.979 0.01 . . . . . A 80 GLN CB . 18904 1 873 . 1 1 80 80 GLN N N 15 126.448 0.01 . . . . . A 80 GLN N . 18904 1 874 . 1 1 80 80 GLN NE2 N 15 110.075 0.01 . . . . . A 80 GLN NE2 . 18904 1 875 . 1 1 81 81 TYR H H 1 7.951 0.01 . . . . . A 81 TYR H . 18904 1 876 . 1 1 81 81 TYR HA H 1 5.226 0.01 . . . . . A 81 TYR HA . 18904 1 877 . 1 1 81 81 TYR HB2 H 1 2.703 0.01 . . . . . A 81 TYR HB2 . 18904 1 878 . 1 1 81 81 TYR HB3 H 1 2.514 0.01 . . . . . A 81 TYR HB3 . 18904 1 879 . 1 1 81 81 TYR HD1 H 1 6.892 0.01 . . . . . A 81 TYR HD1 . 18904 1 880 . 1 1 81 81 TYR HD2 H 1 6.892 0.01 . . . . . A 81 TYR HD2 . 18904 1 881 . 1 1 81 81 TYR HE1 H 1 6.619 0.01 . . . . . A 81 TYR HE1 . 18904 1 882 . 1 1 81 81 TYR HE2 H 1 6.619 0.01 . . . . . A 81 TYR HE2 . 18904 1 883 . 1 1 81 81 TYR CA C 13 56.629 0.01 . . . . . A 81 TYR CA . 18904 1 884 . 1 1 81 81 TYR CB C 13 39.878 0.01 . . . . . A 81 TYR CB . 18904 1 885 . 1 1 81 81 TYR CD1 C 13 133.313 0.01 . . . . . A 81 TYR CD1 . 18904 1 886 . 1 1 81 81 TYR CE1 C 13 118.218 0.01 . . . . . A 81 TYR CE1 . 18904 1 887 . 1 1 81 81 TYR N N 15 119.494 0.01 . . . . . A 81 TYR N . 18904 1 888 . 1 1 82 82 PHE H H 1 9.161 0.01 . . . . . A 82 PHE H . 18904 1 889 . 1 1 82 82 PHE HA H 1 4.774 0.01 . . . . . A 82 PHE HA . 18904 1 890 . 1 1 82 82 PHE HB2 H 1 3.181 0.01 . . . . . A 82 PHE HB2 . 18904 1 891 . 1 1 82 82 PHE HB3 H 1 2.519 0.01 . . . . . A 82 PHE HB3 . 18904 1 892 . 1 1 82 82 PHE HD1 H 1 6.99 0.01 . . . . . A 82 PHE HD1 . 18904 1 893 . 1 1 82 82 PHE HD2 H 1 6.99 0.01 . . . . . A 82 PHE HD2 . 18904 1 894 . 1 1 82 82 PHE HE1 H 1 7.049 0.01 . . . . . A 82 PHE HE1 . 18904 1 895 . 1 1 82 82 PHE HE2 H 1 7.049 0.01 . . . . . A 82 PHE HE2 . 18904 1 896 . 1 1 82 82 PHE HZ H 1 6.96 0.01 . . . . . A 82 PHE HZ . 18904 1 897 . 1 1 82 82 PHE CA C 13 56.483 0.01 . . . . . A 82 PHE CA . 18904 1 898 . 1 1 82 82 PHE CB C 13 43.738 0.01 . . . . . A 82 PHE CB . 18904 1 899 . 1 1 82 82 PHE CD2 C 13 131.65 0.01 . . . . . A 82 PHE CD2 . 18904 1 900 . 1 1 82 82 PHE CE2 C 13 131.217 0.01 . . . . . A 82 PHE CE2 . 18904 1 901 . 1 1 82 82 PHE CZ C 13 129.452 0.01 . . . . . A 82 PHE CZ . 18904 1 902 . 1 1 82 82 PHE N N 15 122.579 0.01 . . . . . A 82 PHE N . 18904 1 903 . 1 1 83 83 SER H H 1 9.009 0.01 . . . . . A 83 SER H . 18904 1 904 . 1 1 83 83 SER HA H 1 5.034 0.01 . . . . . A 83 SER HA . 18904 1 905 . 1 1 83 83 SER HB2 H 1 4.022 0.01 . . . . . A 83 SER HB2 . 18904 1 906 . 1 1 83 83 SER HB3 H 1 3.815 0.01 . . . . . A 83 SER HB3 . 18904 1 907 . 1 1 83 83 SER CA C 13 57.357 0.01 . . . . . A 83 SER CA . 18904 1 908 . 1 1 83 83 SER CB C 13 64.495 0.01 . . . . . A 83 SER CB . 18904 1 909 . 1 1 83 83 SER N N 15 117.269 0.01 . . . . . A 83 SER N . 18904 1 910 . 1 1 84 84 ARG H H 1 8.819 0.01 . . . . . A 84 ARG H . 18904 1 911 . 1 1 84 84 ARG HA H 1 4.603 0.01 . . . . . A 84 ARG HA . 18904 1 912 . 1 1 84 84 ARG HB2 H 1 1.848 0.01 . . . . . A 84 ARG HB2 . 18904 1 913 . 1 1 84 84 ARG HB3 H 1 1.674 0.01 . . . . . A 84 ARG HB3 . 18904 1 914 . 1 1 84 84 ARG HG2 H 1 1.507 0.01 . . . . . A 84 ARG HG2 . 18904 1 915 . 1 1 84 84 ARG HG3 H 1 1.506 0.01 . . . . . A 84 ARG HG3 . 18904 1 916 . 1 1 84 84 ARG HD2 H 1 2.634 0.01 . . . . . A 84 ARG HD2 . 18904 1 917 . 1 1 84 84 ARG HD3 H 1 2.529 0.01 . . . . . A 84 ARG HD3 . 18904 1 918 . 1 1 84 84 ARG HE H 1 7.415 0.01 . . . . . A 84 ARG HE . 18904 1 919 . 1 1 84 84 ARG CA C 13 59.761 0.01 . . . . . A 84 ARG CA . 18904 1 920 . 1 1 84 84 ARG CB C 13 30.41 0.01 . . . . . A 84 ARG CB . 18904 1 921 . 1 1 84 84 ARG CG C 13 28.015 0.01 . . . . . A 84 ARG CG . 18904 1 922 . 1 1 84 84 ARG CD C 13 42.492 0.01 . . . . . A 84 ARG CD . 18904 1 923 . 1 1 84 84 ARG N N 15 127.375 0.01 . . . . . A 84 ARG N . 18904 1 924 . 1 1 84 84 ARG NE N 15 84.114 0.01 . . . . . A 84 ARG NE . 18904 1 925 . 1 1 85 85 ARG H H 1 8.539 0.01 . . . . . A 85 ARG H . 18904 1 926 . 1 1 85 85 ARG HA H 1 4.039 0.01 . . . . . A 85 ARG HA . 18904 1 927 . 1 1 85 85 ARG HB2 H 1 1.765 0.01 . . . . . A 85 ARG HB2 . 18904 1 928 . 1 1 85 85 ARG HB3 H 1 1.764 0.01 . . . . . A 85 ARG HB3 . 18904 1 929 . 1 1 85 85 ARG HG2 H 1 1.568 0.01 . . . . . A 85 ARG HG2 . 18904 1 930 . 1 1 85 85 ARG HG3 H 1 1.567 0.01 . . . . . A 85 ARG HG3 . 18904 1 931 . 1 1 85 85 ARG HD2 H 1 3.089 0.01 . . . . . A 85 ARG HD2 . 18904 1 932 . 1 1 85 85 ARG HD3 H 1 3.088 0.01 . . . . . A 85 ARG HD3 . 18904 1 933 . 1 1 85 85 ARG HE H 1 7.195 0.01 . . . . . A 85 ARG HE . 18904 1 934 . 1 1 85 85 ARG CA C 13 58.523 0.01 . . . . . A 85 ARG CA . 18904 1 935 . 1 1 85 85 ARG CB C 13 29.973 0.01 . . . . . A 85 ARG CB . 18904 1 936 . 1 1 85 85 ARG CG C 13 27.23 0.01 . . . . . A 85 ARG CG . 18904 1 937 . 1 1 85 85 ARG CD C 13 43.45 0.01 . . . . . A 85 ARG CD . 18904 1 938 . 1 1 85 85 ARG N N 15 118.944 0.01 . . . . . A 85 ARG N . 18904 1 939 . 1 1 85 85 ARG NE N 15 84.82 0.01 . . . . . A 85 ARG NE . 18904 1 940 . 1 1 86 86 GLU H H 1 7.732 0.01 . . . . . A 86 GLU H . 18904 1 941 . 1 1 86 86 GLU HA H 1 4.091 0.01 . . . . . A 86 GLU HA . 18904 1 942 . 1 1 86 86 GLU HB2 H 1 1.988 0.01 . . . . . A 86 GLU HB2 . 18904 1 943 . 1 1 86 86 GLU HB3 H 1 1.987 0.01 . . . . . A 86 GLU HB3 . 18904 1 944 . 1 1 86 86 GLU HG2 H 1 2.16 0.01 . . . . . A 86 GLU HG2 . 18904 1 945 . 1 1 86 86 GLU HG3 H 1 2.159 0.01 . . . . . A 86 GLU HG3 . 18904 1 946 . 1 1 86 86 GLU CA C 13 57.576 0.01 . . . . . A 86 GLU CA . 18904 1 947 . 1 1 86 86 GLU CB C 13 29.9 0.01 . . . . . A 86 GLU CB . 18904 1 948 . 1 1 86 86 GLU CG C 13 37.302 0.01 . . . . . A 86 GLU CG . 18904 1 949 . 1 1 86 86 GLU N N 15 117.835 0.01 . . . . . A 86 GLU N . 18904 1 950 . 1 1 87 87 PHE H H 1 7.644 0.01 . . . . . A 87 PHE H . 18904 1 951 . 1 1 87 87 PHE HA H 1 4.456 0.01 . . . . . A 87 PHE HA . 18904 1 952 . 1 1 87 87 PHE HB2 H 1 3.209 0.01 . . . . . A 87 PHE HB2 . 18904 1 953 . 1 1 87 87 PHE HB3 H 1 2.828 0.01 . . . . . A 87 PHE HB3 . 18904 1 954 . 1 1 87 87 PHE HD1 H 1 7.17 0.01 . . . . . A 87 PHE HD1 . 18904 1 955 . 1 1 87 87 PHE HD2 H 1 7.17 0.01 . . . . . A 87 PHE HD2 . 18904 1 956 . 1 1 87 87 PHE HE1 H 1 7.054 0.01 . . . . . A 87 PHE HE1 . 18904 1 957 . 1 1 87 87 PHE HE2 H 1 7.054 0.01 . . . . . A 87 PHE HE2 . 18904 1 958 . 1 1 87 87 PHE HZ H 1 6.862 0.01 . . . . . A 87 PHE HZ . 18904 1 959 . 1 1 87 87 PHE CA C 13 58.013 0.01 . . . . . A 87 PHE CA . 18904 1 960 . 1 1 87 87 PHE CB C 13 39.587 0.01 . . . . . A 87 PHE CB . 18904 1 961 . 1 1 87 87 PHE CD2 C 13 132.088 0.01 . . . . . A 87 PHE CD2 . 18904 1 962 . 1 1 87 87 PHE CE2 C 13 131.765 0.01 . . . . . A 87 PHE CE2 . 18904 1 963 . 1 1 87 87 PHE CZ C 13 129.077 0.01 . . . . . A 87 PHE CZ . 18904 1 964 . 1 1 87 87 PHE N N 15 118.936 0.01 . . . . . A 87 PHE N . 18904 1 965 . 1 1 88 88 MET H H 1 7.849 0.01 . . . . . A 88 MET H . 18904 1 966 . 1 1 88 88 MET HA H 1 4.241 0.01 . . . . . A 88 MET HA . 18904 1 967 . 1 1 88 88 MET HB2 H 1 1.959 0.01 . . . . . A 88 MET HB2 . 18904 1 968 . 1 1 88 88 MET HB3 H 1 1.877 0.01 . . . . . A 88 MET HB3 . 18904 1 969 . 1 1 88 88 MET HG2 H 1 2.465 0.01 . . . . . A 88 MET HG2 . 18904 1 970 . 1 1 88 88 MET HG3 H 1 2.412 0.01 . . . . . A 88 MET HG3 . 18904 1 971 . 1 1 88 88 MET HE1 H 1 1.93 0.01 . . . . . A 88 MET HE1 . 18904 1 972 . 1 1 88 88 MET HE2 H 1 1.93 0.01 . . . . . A 88 MET HE2 . 18904 1 973 . 1 1 88 88 MET HE3 H 1 1.93 0.01 . . . . . A 88 MET HE3 . 18904 1 974 . 1 1 88 88 MET CA C 13 56.993 0.01 . . . . . A 88 MET CA . 18904 1 975 . 1 1 88 88 MET CB C 13 32.595 0.01 . . . . . A 88 MET CB . 18904 1 976 . 1 1 88 88 MET CG C 13 32.087 0.01 . . . . . A 88 MET CG . 18904 1 977 . 1 1 88 88 MET CE C 13 17.1 0.01 . . . . . A 88 MET CE . 18904 1 978 . 1 1 88 88 MET N N 15 120.753 0.01 . . . . . A 88 MET N . 18904 1 979 . 1 1 89 89 ASP H H 1 8.11 0.01 . . . . . A 89 ASP H . 18904 1 980 . 1 1 89 89 ASP HA H 1 4.395 0.01 . . . . . A 89 ASP HA . 18904 1 981 . 1 1 89 89 ASP HB2 H 1 2.564 0.01 . . . . . A 89 ASP HB2 . 18904 1 982 . 1 1 89 89 ASP HB3 H 1 2.421 0.01 . . . . . A 89 ASP HB3 . 18904 1 983 . 1 1 89 89 ASP CA C 13 55.391 0.01 . . . . . A 89 ASP CA . 18904 1 984 . 1 1 89 89 ASP CB C 13 41.116 0.01 . . . . . A 89 ASP CB . 18904 1 985 . 1 1 89 89 ASP N N 15 120.234 0.01 . . . . . A 89 ASP N . 18904 1 986 . 1 1 90 90 ALA H H 1 7.867 0.01 . . . . . A 90 ALA H . 18904 1 987 . 1 1 90 90 ALA HA H 1 4.231 0.01 . . . . . A 90 ALA HA . 18904 1 988 . 1 1 90 90 ALA HB1 H 1 1.232 0.01 . . . . . A 90 ALA HB1 . 18904 1 989 . 1 1 90 90 ALA HB2 H 1 1.232 0.01 . . . . . A 90 ALA HB2 . 18904 1 990 . 1 1 90 90 ALA HB3 H 1 1.232 0.01 . . . . . A 90 ALA HB3 . 18904 1 991 . 1 1 90 90 ALA CA C 13 52.528 0.01 . . . . . A 90 ALA CA . 18904 1 992 . 1 1 90 90 ALA CB C 13 19.777 0.01 . . . . . A 90 ALA CB . 18904 1 993 . 1 1 90 90 ALA N N 15 122.71 0.01 . . . . . A 90 ALA N . 18904 1 994 . 1 1 91 91 GLY H H 1 7.865 0.01 . . . . . A 91 GLY H . 18904 1 995 . 1 1 91 91 GLY HA2 H 1 3.72 0.01 . . . . . A 91 GLY HA2 . 18904 1 996 . 1 1 91 91 GLY HA3 H 1 3.908 0.01 . . . . . A 91 GLY HA3 . 18904 1 997 . 1 1 91 91 GLY CA C 13 44.539 0.01 . . . . . A 91 GLY CA . 18904 1 998 . 1 1 91 91 GLY N N 15 107.832 0.01 . . . . . A 91 GLY N . 18904 1 999 . 1 1 92 92 GLU H H 1 8.188 0.01 . . . . . A 92 GLU H . 18904 1 1000 . 1 1 92 92 GLU HA H 1 4.275 0.01 . . . . . A 92 GLU HA . 18904 1 1001 . 1 1 92 92 GLU HB2 H 1 1.786 0.01 . . . . . A 92 GLU HB2 . 18904 1 1002 . 1 1 92 92 GLU HB3 H 1 1.683 0.01 . . . . . A 92 GLU HB3 . 18904 1 1003 . 1 1 92 92 GLU HG2 H 1 2.097 0.01 . . . . . A 92 GLU HG2 . 18904 1 1004 . 1 1 92 92 GLU HG3 H 1 2.096 0.01 . . . . . A 92 GLU HG3 . 18904 1 1005 . 1 1 92 92 GLU CA C 13 54.226 0.01 . . . . . A 92 GLU CA . 18904 1 1006 . 1 1 92 92 GLU CB C 13 30.119 0.01 . . . . . A 92 GLU CB . 18904 1 1007 . 1 1 92 92 GLU CG C 13 35.811 0.01 . . . . . A 92 GLU CG . 18904 1 1008 . 1 1 92 92 GLU N N 15 121.294 0.01 . . . . . A 92 GLU N . 18904 1 1009 . 1 1 93 93 PRO HA H 1 4.136 0.01 . . . . . A 93 PRO HA . 18904 1 1010 . 1 1 93 93 PRO HB2 H 1 1.486 0.01 . . . . . A 93 PRO HB2 . 18904 1 1011 . 1 1 93 93 PRO HB3 H 1 1.483 0.01 . . . . . A 93 PRO HB3 . 18904 1 1012 . 1 1 93 93 PRO HG2 H 1 1.367 0.01 . . . . . A 93 PRO HG2 . 18904 1 1013 . 1 1 93 93 PRO HG3 H 1 1.66 0.01 . . . . . A 93 PRO HG3 . 18904 1 1014 . 1 1 93 93 PRO HD2 H 1 3.503 0.01 . . . . . A 93 PRO HD2 . 18904 1 1015 . 1 1 93 93 PRO HD3 H 1 3.429 0.01 . . . . . A 93 PRO HD3 . 18904 1 1016 . 1 1 93 93 PRO CA C 13 62.747 0.01 . . . . . A 93 PRO CA . 18904 1 1017 . 1 1 93 93 PRO CB C 13 32.012 0.01 . . . . . A 93 PRO CB . 18904 1 1018 . 1 1 93 93 PRO CG C 13 27.19 0.01 . . . . . A 93 PRO CG . 18904 1 1019 . 1 1 93 93 PRO CD C 13 50.152 0.01 . . . . . A 93 PRO CD . 18904 1 1020 . 1 1 94 94 GLU H H 1 7.285 0.01 . . . . . A 94 GLU H . 18904 1 1021 . 1 1 94 94 GLU HA H 1 4.273 0.01 . . . . . A 94 GLU HA . 18904 1 1022 . 1 1 94 94 GLU HB2 H 1 1.775 0.01 . . . . . A 94 GLU HB2 . 18904 1 1023 . 1 1 94 94 GLU HB3 H 1 1.625 0.01 . . . . . A 94 GLU HB3 . 18904 1 1024 . 1 1 94 94 GLU HG2 H 1 2.096 0.01 . . . . . A 94 GLU HG2 . 18904 1 1025 . 1 1 94 94 GLU HG3 H 1 2.024 0.01 . . . . . A 94 GLU HG3 . 18904 1 1026 . 1 1 94 94 GLU CA C 13 54.663 0.01 . . . . . A 94 GLU CA . 18904 1 1027 . 1 1 94 94 GLU CB C 13 32.595 0.01 . . . . . A 94 GLU CB . 18904 1 1028 . 1 1 94 94 GLU CG C 13 35.794 0.01 . . . . . A 94 GLU CG . 18904 1 1029 . 1 1 94 94 GLU N N 15 120.544 0.01 . . . . . A 94 GLU N . 18904 1 1030 . 1 1 95 95 ILE H H 1 8.427 0.01 . . . . . A 95 ILE H . 18904 1 1031 . 1 1 95 95 ILE HA H 1 3.317 0.01 . . . . . A 95 ILE HA . 18904 1 1032 . 1 1 95 95 ILE HB H 1 1.643 0.01 . . . . . A 95 ILE HB . 18904 1 1033 . 1 1 95 95 ILE HG12 H 1 1.438 0.01 . . . . . A 95 ILE HG12 . 18904 1 1034 . 1 1 95 95 ILE HG13 H 1 0.985 0.01 . . . . . A 95 ILE HG13 . 18904 1 1035 . 1 1 95 95 ILE HG21 H 1 0.735 0.01 . . . . . A 95 ILE HG21 . 18904 1 1036 . 1 1 95 95 ILE HG22 H 1 0.735 0.01 . . . . . A 95 ILE HG22 . 18904 1 1037 . 1 1 95 95 ILE HG23 H 1 0.735 0.01 . . . . . A 95 ILE HG23 . 18904 1 1038 . 1 1 95 95 ILE HD11 H 1 0.675 0.01 . . . . . A 95 ILE HD11 . 18904 1 1039 . 1 1 95 95 ILE HD12 H 1 0.675 0.01 . . . . . A 95 ILE HD12 . 18904 1 1040 . 1 1 95 95 ILE HD13 H 1 0.675 0.01 . . . . . A 95 ILE HD13 . 18904 1 1041 . 1 1 95 95 ILE CA C 13 62.892 0.01 . . . . . A 95 ILE CA . 18904 1 1042 . 1 1 95 95 ILE CB C 13 36.673 0.01 . . . . . A 95 ILE CB . 18904 1 1043 . 1 1 95 95 ILE CG1 C 13 28.263 0.01 . . . . . A 95 ILE CG1 . 18904 1 1044 . 1 1 95 95 ILE CG2 C 13 17.49 0.01 . . . . . A 95 ILE CG2 . 18904 1 1045 . 1 1 95 95 ILE CD1 C 13 12.105 0.01 . . . . . A 95 ILE CD1 . 18904 1 1046 . 1 1 95 95 ILE N N 15 123.515 0.01 . . . . . A 95 ILE N . 18904 1 1047 . 1 1 96 96 GLY H H 1 9.143 0.01 . . . . . A 96 GLY H . 18904 1 1048 . 1 1 96 96 GLY HA2 H 1 3.304 0.01 . . . . . A 96 GLY HA2 . 18904 1 1049 . 1 1 96 96 GLY HA3 H 1 4.19 0.01 . . . . . A 96 GLY HA3 . 18904 1 1050 . 1 1 96 96 GLY CA C 13 44.83 0.01 . . . . . A 96 GLY CA . 18904 1 1051 . 1 1 96 96 GLY N N 15 117.075 0.01 . . . . . A 96 GLY N . 18904 1 1052 . 1 1 97 97 ALA H H 1 7.747 0.01 . . . . . A 97 ALA H . 18904 1 1053 . 1 1 97 97 ALA HA H 1 4.183 0.01 . . . . . A 97 ALA HA . 18904 1 1054 . 1 1 97 97 ALA HB1 H 1 1.34 0.01 . . . . . A 97 ALA HB1 . 18904 1 1055 . 1 1 97 97 ALA HB2 H 1 1.34 0.01 . . . . . A 97 ALA HB2 . 18904 1 1056 . 1 1 97 97 ALA HB3 H 1 1.34 0.01 . . . . . A 97 ALA HB3 . 18904 1 1057 . 1 1 97 97 ALA CA C 13 52.332 0.01 . . . . . A 97 ALA CA . 18904 1 1058 . 1 1 97 97 ALA CB C 13 20.287 0.01 . . . . . A 97 ALA CB . 18904 1 1059 . 1 1 97 97 ALA N N 15 124.048 0.01 . . . . . A 97 ALA N . 18904 1 1060 . 1 1 98 98 ILE H H 1 8.031 0.01 . . . . . A 98 ILE H . 18904 1 1061 . 1 1 98 98 ILE HA H 1 4.723 0.01 . . . . . A 98 ILE HA . 18904 1 1062 . 1 1 98 98 ILE HB H 1 1.505 0.01 . . . . . A 98 ILE HB . 18904 1 1063 . 1 1 98 98 ILE HG12 H 1 0.866 0.01 . . . . . A 98 ILE HG12 . 18904 1 1064 . 1 1 98 98 ILE HG13 H 1 1.463 0.01 . . . . . A 98 ILE HG13 . 18904 1 1065 . 1 1 98 98 ILE HG21 H 1 0.612 0.01 . . . . . A 98 ILE HG21 . 18904 1 1066 . 1 1 98 98 ILE HG22 H 1 0.612 0.01 . . . . . A 98 ILE HG22 . 18904 1 1067 . 1 1 98 98 ILE HG23 H 1 0.612 0.01 . . . . . A 98 ILE HG23 . 18904 1 1068 . 1 1 98 98 ILE HD11 H 1 0.658 0.01 . . . . . A 98 ILE HD11 . 18904 1 1069 . 1 1 98 98 ILE HD12 H 1 0.658 0.01 . . . . . A 98 ILE HD12 . 18904 1 1070 . 1 1 98 98 ILE HD13 H 1 0.658 0.01 . . . . . A 98 ILE HD13 . 18904 1 1071 . 1 1 98 98 ILE CA C 13 60.052 0.01 . . . . . A 98 ILE CA . 18904 1 1072 . 1 1 98 98 ILE CB C 13 39.004 0.01 . . . . . A 98 ILE CB . 18904 1 1073 . 1 1 98 98 ILE CG1 C 13 28.252 0.01 . . . . . A 98 ILE CG1 . 18904 1 1074 . 1 1 98 98 ILE CG2 C 13 17.748 0.01 . . . . . A 98 ILE CG2 . 18904 1 1075 . 1 1 98 98 ILE CD1 C 13 13.253 0.01 . . . . . A 98 ILE CD1 . 18904 1 1076 . 1 1 98 98 ILE N N 15 120.131 0.01 . . . . . A 98 ILE N . 18904 1 1077 . 1 1 99 99 MET H H 1 8.875 0.01 . . . . . A 99 MET H . 18904 1 1078 . 1 1 99 99 MET HA H 1 4.489 0.01 . . . . . A 99 MET HA . 18904 1 1079 . 1 1 99 99 MET HB2 H 1 1.635 0.01 . . . . . A 99 MET HB2 . 18904 1 1080 . 1 1 99 99 MET HB3 H 1 1.472 0.01 . . . . . A 99 MET HB3 . 18904 1 1081 . 1 1 99 99 MET HG2 H 1 2.054 0.01 . . . . . A 99 MET HG2 . 18904 1 1082 . 1 1 99 99 MET HG3 H 1 2.053 0.01 . . . . . A 99 MET HG3 . 18904 1 1083 . 1 1 99 99 MET HE1 H 1 1.58 0.01 . . . . . A 99 MET HE1 . 18904 1 1084 . 1 1 99 99 MET HE2 H 1 1.58 0.01 . . . . . A 99 MET HE2 . 18904 1 1085 . 1 1 99 99 MET HE3 H 1 1.58 0.01 . . . . . A 99 MET HE3 . 18904 1 1086 . 1 1 99 99 MET CA C 13 53.934 0.01 . . . . . A 99 MET CA . 18904 1 1087 . 1 1 99 99 MET CB C 13 36.601 0.01 . . . . . A 99 MET CB . 18904 1 1088 . 1 1 99 99 MET CG C 13 32.232 0.01 . . . . . A 99 MET CG . 18904 1 1089 . 1 1 99 99 MET CE C 13 17.45 0.01 . . . . . A 99 MET CE . 18904 1 1090 . 1 1 99 99 MET N N 15 127.388 0.01 . . . . . A 99 MET N . 18904 1 1091 . 1 1 100 100 LEU H H 1 8.165 0.01 . . . . . A 100 LEU H . 18904 1 1092 . 1 1 100 100 LEU HA H 1 4.516 0.01 . . . . . A 100 LEU HA . 18904 1 1093 . 1 1 100 100 LEU HB2 H 1 1.412 0.01 . . . . . A 100 LEU HB2 . 18904 1 1094 . 1 1 100 100 LEU HB3 H 1 1.126 0.01 . . . . . A 100 LEU HB3 . 18904 1 1095 . 1 1 100 100 LEU HG H 1 1.355 0.01 . . . . . A 100 LEU HG . 18904 1 1096 . 1 1 100 100 LEU HD11 H 1 0.567 0.01 . . . . . A 100 LEU HD11 . 18904 1 1097 . 1 1 100 100 LEU HD12 H 1 0.567 0.01 . . . . . A 100 LEU HD12 . 18904 1 1098 . 1 1 100 100 LEU HD13 H 1 0.567 0.01 . . . . . A 100 LEU HD13 . 18904 1 1099 . 1 1 100 100 LEU HD21 H 1 0.653 0.01 . . . . . A 100 LEU HD21 . 18904 1 1100 . 1 1 100 100 LEU HD22 H 1 0.653 0.01 . . . . . A 100 LEU HD22 . 18904 1 1101 . 1 1 100 100 LEU HD23 H 1 0.653 0.01 . . . . . A 100 LEU HD23 . 18904 1 1102 . 1 1 100 100 LEU CA C 13 54.226 0.01 . . . . . A 100 LEU CA . 18904 1 1103 . 1 1 100 100 LEU CB C 13 42.573 0.01 . . . . . A 100 LEU CB . 18904 1 1104 . 1 1 100 100 LEU CG C 13 26.907 0.01 . . . . . A 100 LEU CG . 18904 1 1105 . 1 1 100 100 LEU CD1 C 13 23.488 0.01 . . . . . A 100 LEU CD1 . 18904 1 1106 . 1 1 100 100 LEU CD2 C 13 24.7 0.01 . . . . . A 100 LEU CD2 . 18904 1 1107 . 1 1 100 100 LEU N N 15 122.917 0.01 . . . . . A 100 LEU N . 18904 1 1108 . 1 1 101 101 PHE H H 1 8.467 0.01 . . . . . A 101 PHE H . 18904 1 1109 . 1 1 101 101 PHE HA H 1 4.527 0.01 . . . . . A 101 PHE HA . 18904 1 1110 . 1 1 101 101 PHE HB2 H 1 2.871 0.01 . . . . . A 101 PHE HB2 . 18904 1 1111 . 1 1 101 101 PHE HB3 H 1 2.842 0.01 . . . . . A 101 PHE HB3 . 18904 1 1112 . 1 1 101 101 PHE HD1 H 1 6.906 0.01 . . . . . A 101 PHE HD1 . 18904 1 1113 . 1 1 101 101 PHE HD2 H 1 6.906 0.01 . . . . . A 101 PHE HD2 . 18904 1 1114 . 1 1 101 101 PHE HE1 H 1 6.565 0.01 . . . . . A 101 PHE HE1 . 18904 1 1115 . 1 1 101 101 PHE HE2 H 1 6.565 0.01 . . . . . A 101 PHE HE2 . 18904 1 1116 . 1 1 101 101 PHE HZ H 1 6.565 0.01 . . . . . A 101 PHE HZ . 18904 1 1117 . 1 1 101 101 PHE CA C 13 56.993 0.01 . . . . . A 101 PHE CA . 18904 1 1118 . 1 1 101 101 PHE CB C 13 42.573 0.01 . . . . . A 101 PHE CB . 18904 1 1119 . 1 1 101 101 PHE CD1 C 13 132.1 0.01 . . . . . A 101 PHE CD1 . 18904 1 1120 . 1 1 101 101 PHE CE1 C 13 130.827 0.01 . . . . . A 101 PHE CE1 . 18904 1 1121 . 1 1 101 101 PHE CZ C 13 129.003 0.01 . . . . . A 101 PHE CZ . 18904 1 1122 . 1 1 101 101 PHE N N 15 124.569 0.01 . . . . . A 101 PHE N . 18904 1 1123 . 1 1 102 102 THR H H 1 8.398 0.01 . . . . . A 102 THR H . 18904 1 1124 . 1 1 102 102 THR HA H 1 4.534 0.01 . . . . . A 102 THR HA . 18904 1 1125 . 1 1 102 102 THR HB H 1 3.814 0.01 . . . . . A 102 THR HB . 18904 1 1126 . 1 1 102 102 THR HG21 H 1 1.066 0.01 . . . . . A 102 THR HG21 . 18904 1 1127 . 1 1 102 102 THR HG22 H 1 1.066 0.01 . . . . . A 102 THR HG22 . 18904 1 1128 . 1 1 102 102 THR HG23 H 1 1.066 0.01 . . . . . A 102 THR HG23 . 18904 1 1129 . 1 1 102 102 THR CA C 13 62.528 0.01 . . . . . A 102 THR CA . 18904 1 1130 . 1 1 102 102 THR CB C 13 69.52 0.01 . . . . . A 102 THR CB . 18904 1 1131 . 1 1 102 102 THR CG2 C 13 21.702 0.01 . . . . . A 102 THR CG2 . 18904 1 1132 . 1 1 102 102 THR N N 15 119.655 0.01 . . . . . A 102 THR N . 18904 1 1133 . 1 1 103 103 ALA H H 1 8.777 0.01 . . . . . A 103 ALA H . 18904 1 1134 . 1 1 103 103 ALA HA H 1 4.282 0.01 . . . . . A 103 ALA HA . 18904 1 1135 . 1 1 103 103 ALA HB1 H 1 1.229 0.01 . . . . . A 103 ALA HB1 . 18904 1 1136 . 1 1 103 103 ALA HB2 H 1 1.229 0.01 . . . . . A 103 ALA HB2 . 18904 1 1137 . 1 1 103 103 ALA HB3 H 1 1.229 0.01 . . . . . A 103 ALA HB3 . 18904 1 1138 . 1 1 103 103 ALA CA C 13 51.458 0.01 . . . . . A 103 ALA CA . 18904 1 1139 . 1 1 103 103 ALA CB C 13 20.432 0.01 . . . . . A 103 ALA CB . 18904 1 1140 . 1 1 103 103 ALA N N 15 130.657 0.01 . . . . . A 103 ALA N . 18904 1 1141 . 1 1 104 104 MET H H 1 8.734 0.01 . . . . . A 104 MET H . 18904 1 1142 . 1 1 104 104 MET HA H 1 4.038 0.01 . . . . . A 104 MET HA . 18904 1 1143 . 1 1 104 104 MET HB2 H 1 1.945 0.01 . . . . . A 104 MET HB2 . 18904 1 1144 . 1 1 104 104 MET HB3 H 1 1.944 0.01 . . . . . A 104 MET HB3 . 18904 1 1145 . 1 1 104 104 MET HG2 H 1 2.539 0.01 . . . . . A 104 MET HG2 . 18904 1 1146 . 1 1 104 104 MET HG3 H 1 2.462 0.01 . . . . . A 104 MET HG3 . 18904 1 1147 . 1 1 104 104 MET HE1 H 1 1.96 0.01 . . . . . A 104 MET HE1 . 18904 1 1148 . 1 1 104 104 MET HE2 H 1 1.96 0.01 . . . . . A 104 MET HE2 . 18904 1 1149 . 1 1 104 104 MET HE3 H 1 1.96 0.01 . . . . . A 104 MET HE3 . 18904 1 1150 . 1 1 104 104 MET CA C 13 58.523 0.01 . . . . . A 104 MET CA . 18904 1 1151 . 1 1 104 104 MET CB C 13 32.085 0.01 . . . . . A 104 MET CB . 18904 1 1152 . 1 1 104 104 MET CG C 13 32.227 0.01 . . . . . A 104 MET CG . 18904 1 1153 . 1 1 104 104 MET CE C 13 17.31 0.01 . . . . . A 104 MET CE . 18904 1 1154 . 1 1 104 104 MET N N 15 120.712 0.01 . . . . . A 104 MET N . 18904 1 1155 . 1 1 105 105 ASP H H 1 7.772 0.01 . . . . . A 105 ASP H . 18904 1 1156 . 1 1 105 105 ASP HA H 1 4.371 0.01 . . . . . A 105 ASP HA . 18904 1 1157 . 1 1 105 105 ASP HB2 H 1 2.921 0.01 . . . . . A 105 ASP HB2 . 18904 1 1158 . 1 1 105 105 ASP HB3 H 1 2.445 0.01 . . . . . A 105 ASP HB3 . 18904 1 1159 . 1 1 105 105 ASP CA C 13 53.497 0.01 . . . . . A 105 ASP CA . 18904 1 1160 . 1 1 105 105 ASP CB C 13 40.024 0.01 . . . . . A 105 ASP CB . 18904 1 1161 . 1 1 105 105 ASP N N 15 116.253 0.01 . . . . . A 105 ASP N . 18904 1 1162 . 1 1 106 106 GLY H H 1 8.071 0.01 . . . . . A 106 GLY H . 18904 1 1163 . 1 1 106 106 GLY HA2 H 1 3.389 0.01 . . . . . A 106 GLY HA2 . 18904 1 1164 . 1 1 106 106 GLY HA3 H 1 4.172 0.01 . . . . . A 106 GLY HA3 . 18904 1 1165 . 1 1 106 106 GLY CA C 13 45.049 0.01 . . . . . A 106 GLY CA . 18904 1 1166 . 1 1 106 106 GLY N N 15 109.239 0.01 . . . . . A 106 GLY N . 18904 1 1167 . 1 1 107 107 SER H H 1 8.037 0.01 . . . . . A 107 SER H . 18904 1 1168 . 1 1 107 107 SER HA H 1 4.212 0.01 . . . . . A 107 SER HA . 18904 1 1169 . 1 1 107 107 SER HB2 H 1 3.758 0.01 . . . . . A 107 SER HB2 . 18904 1 1170 . 1 1 107 107 SER HB3 H 1 3.685 0.01 . . . . . A 107 SER HB3 . 18904 1 1171 . 1 1 107 107 SER CA C 13 58.959 0.01 . . . . . A 107 SER CA . 18904 1 1172 . 1 1 107 107 SER CB C 13 64.13 0.01 . . . . . A 107 SER CB . 18904 1 1173 . 1 1 107 107 SER N N 15 118.52 0.01 . . . . . A 107 SER N . 18904 1 1174 . 1 1 108 108 GLU H H 1 8.404 0.01 . . . . . A 108 GLU H . 18904 1 1175 . 1 1 108 108 GLU HA H 1 4.823 0.01 . . . . . A 108 GLU HA . 18904 1 1176 . 1 1 108 108 GLU HB2 H 1 1.789 0.01 . . . . . A 108 GLU HB2 . 18904 1 1177 . 1 1 108 108 GLU HB3 H 1 1.724 0.01 . . . . . A 108 GLU HB3 . 18904 1 1178 . 1 1 108 108 GLU HG2 H 1 2.057 0.01 . . . . . A 108 GLU HG2 . 18904 1 1179 . 1 1 108 108 GLU HG3 H 1 1.917 0.01 . . . . . A 108 GLU HG3 . 18904 1 1180 . 1 1 108 108 GLU CA C 13 55.755 0.01 . . . . . A 108 GLU CA . 18904 1 1181 . 1 1 108 108 GLU CB C 13 31.721 0.01 . . . . . A 108 GLU CB . 18904 1 1182 . 1 1 108 108 GLU CG C 13 37.157 0.01 . . . . . A 108 GLU CG . 18904 1 1183 . 1 1 108 108 GLU N N 15 121.889 0.01 . . . . . A 108 GLU N . 18904 1 1184 . 1 1 109 109 MET H H 1 8.997 0.01 . . . . . A 109 MET H . 18904 1 1185 . 1 1 109 109 MET HA H 1 4.951 0.01 . . . . . A 109 MET HA . 18904 1 1186 . 1 1 109 109 MET HB2 H 1 1.95 0.01 . . . . . A 109 MET HB2 . 18904 1 1187 . 1 1 109 109 MET HB3 H 1 1.739 0.01 . . . . . A 109 MET HB3 . 18904 1 1188 . 1 1 109 109 MET HG2 H 1 2.268 0.01 . . . . . A 109 MET HG2 . 18904 1 1189 . 1 1 109 109 MET HG3 H 1 2.268 0.01 . . . . . A 109 MET HG3 . 18904 1 1190 . 1 1 109 109 MET HE1 H 1 1.59 0.01 . . . . . A 109 MET HE1 . 18904 1 1191 . 1 1 109 109 MET HE2 H 1 1.59 0.01 . . . . . A 109 MET HE2 . 18904 1 1192 . 1 1 109 109 MET HE3 H 1 1.59 0.01 . . . . . A 109 MET HE3 . 18904 1 1193 . 1 1 109 109 MET CA C 13 52.987 0.01 . . . . . A 109 MET CA . 18904 1 1194 . 1 1 109 109 MET CB C 13 36.236 0.01 . . . . . A 109 MET CB . 18904 1 1195 . 1 1 109 109 MET CG C 13 31.408 0.01 . . . . . A 109 MET CG . 18904 1 1196 . 1 1 109 109 MET CE C 13 16.65 0.01 . . . . . A 109 MET CE . 18904 1 1197 . 1 1 109 109 MET N N 15 124.698 0.01 . . . . . A 109 MET N . 18904 1 1198 . 1 1 110 110 PRO HA H 1 5.057 0.01 . . . . . A 110 PRO HA . 18904 1 1199 . 1 1 110 110 PRO HB2 H 1 1.932 0.01 . . . . . A 110 PRO HB2 . 18904 1 1200 . 1 1 110 110 PRO HB3 H 1 1.736 0.01 . . . . . A 110 PRO HB3 . 18904 1 1201 . 1 1 110 110 PRO HG2 H 1 2.085 0.01 . . . . . A 110 PRO HG2 . 18904 1 1202 . 1 1 110 110 PRO HG3 H 1 1.865 0.01 . . . . . A 110 PRO HG3 . 18904 1 1203 . 1 1 110 110 PRO HD2 H 1 3.766 0.01 . . . . . A 110 PRO HD2 . 18904 1 1204 . 1 1 110 110 PRO HD3 H 1 3.634 0.01 . . . . . A 110 PRO HD3 . 18904 1 1205 . 1 1 110 110 PRO CA C 13 62.091 0.01 . . . . . A 110 PRO CA . 18904 1 1206 . 1 1 110 110 PRO CB C 13 31.939 0.01 . . . . . A 110 PRO CB . 18904 1 1207 . 1 1 110 110 PRO CG C 13 27.403 0.01 . . . . . A 110 PRO CG . 18904 1 1208 . 1 1 110 110 PRO CD C 13 50.97 0.01 . . . . . A 110 PRO CD . 18904 1 1209 . 1 1 111 111 GLY H H 1 9.167 0.01 . . . . . A 111 GLY H . 18904 1 1210 . 1 1 111 111 GLY HA2 H 1 2.561 0.01 . . . . . A 111 GLY HA2 . 18904 1 1211 . 1 1 111 111 GLY HA3 H 1 4.328 0.01 . . . . . A 111 GLY HA3 . 18904 1 1212 . 1 1 111 111 GLY CA C 13 44.685 0.01 . . . . . A 111 GLY CA . 18904 1 1213 . 1 1 111 111 GLY N N 15 112.135 0.01 . . . . . A 111 GLY N . 18904 1 1214 . 1 1 112 112 VAL H H 1 7.839 0.01 . . . . . A 112 VAL H . 18904 1 1215 . 1 1 112 112 VAL HA H 1 4.678 0.01 . . . . . A 112 VAL HA . 18904 1 1216 . 1 1 112 112 VAL HB H 1 1.648 0.01 . . . . . A 112 VAL HB . 18904 1 1217 . 1 1 112 112 VAL HG11 H 1 0.711 0.01 . . . . . A 112 VAL HG11 . 18904 1 1218 . 1 1 112 112 VAL HG12 H 1 0.711 0.01 . . . . . A 112 VAL HG12 . 18904 1 1219 . 1 1 112 112 VAL HG13 H 1 0.711 0.01 . . . . . A 112 VAL HG13 . 18904 1 1220 . 1 1 112 112 VAL HG21 H 1 0.625 0.01 . . . . . A 112 VAL HG21 . 18904 1 1221 . 1 1 112 112 VAL HG22 H 1 0.625 0.01 . . . . . A 112 VAL HG22 . 18904 1 1222 . 1 1 112 112 VAL HG23 H 1 0.625 0.01 . . . . . A 112 VAL HG23 . 18904 1 1223 . 1 1 112 112 VAL CA C 13 59.833 0.01 . . . . . A 112 VAL CA . 18904 1 1224 . 1 1 112 112 VAL CB C 13 34.66 0.01 . . . . . A 112 VAL CB . 18904 1 1225 . 1 1 112 112 VAL CG1 C 13 21.883 0.01 . . . . . A 112 VAL CG1 . 18904 1 1226 . 1 1 112 112 VAL CG2 C 13 20.88 0.01 . . . . . A 112 VAL CG2 . 18904 1 1227 . 1 1 112 112 VAL N N 15 120.753 0.01 . . . . . A 112 VAL N . 18904 1 1228 . 1 1 113 113 ILE H H 1 8.57 0.01 . . . . . A 113 ILE H . 18904 1 1229 . 1 1 113 113 ILE HA H 1 3.914 0.01 . . . . . A 113 ILE HA . 18904 1 1230 . 1 1 113 113 ILE HB H 1 2.155 0.01 . . . . . A 113 ILE HB . 18904 1 1231 . 1 1 113 113 ILE HG12 H 1 1.428 0.01 . . . . . A 113 ILE HG12 . 18904 1 1232 . 1 1 113 113 ILE HG13 H 1 0.987 0.01 . . . . . A 113 ILE HG13 . 18904 1 1233 . 1 1 113 113 ILE HG21 H 1 0.482 0.01 . . . . . A 113 ILE HG21 . 18904 1 1234 . 1 1 113 113 ILE HG22 H 1 0.482 0.01 . . . . . A 113 ILE HG22 . 18904 1 1235 . 1 1 113 113 ILE HG23 H 1 0.482 0.01 . . . . . A 113 ILE HG23 . 18904 1 1236 . 1 1 113 113 ILE HD11 H 1 0.725 0.01 . . . . . A 113 ILE HD11 . 18904 1 1237 . 1 1 113 113 ILE HD12 H 1 0.725 0.01 . . . . . A 113 ILE HD12 . 18904 1 1238 . 1 1 113 113 ILE HD13 H 1 0.725 0.01 . . . . . A 113 ILE HD13 . 18904 1 1239 . 1 1 113 113 ILE CA C 13 61.85 0.01 . . . . . A 113 ILE CA . 18904 1 1240 . 1 1 113 113 ILE CB C 13 36.164 0.01 . . . . . A 113 ILE CB . 18904 1 1241 . 1 1 113 113 ILE CG1 C 13 28.163 0.01 . . . . . A 113 ILE CG1 . 18904 1 1242 . 1 1 113 113 ILE CG2 C 13 18.175 0.01 . . . . . A 113 ILE CG2 . 18904 1 1243 . 1 1 113 113 ILE CD1 C 13 13.113 0.01 . . . . . A 113 ILE CD1 . 18904 1 1244 . 1 1 113 113 ILE N N 15 127.489 0.01 . . . . . A 113 ILE N . 18904 1 1245 . 1 1 114 114 ARG H H 1 8.803 0.01 . . . . . A 114 ARG H . 18904 1 1246 . 1 1 114 114 ARG HA H 1 4.232 0.01 . . . . . A 114 ARG HA . 18904 1 1247 . 1 1 114 114 ARG HB2 H 1 1.735 0.01 . . . . . A 114 ARG HB2 . 18904 1 1248 . 1 1 114 114 ARG HB3 H 1 1.566 0.01 . . . . . A 114 ARG HB3 . 18904 1 1249 . 1 1 114 114 ARG HG2 H 1 1.416 0.01 . . . . . A 114 ARG HG2 . 18904 1 1250 . 1 1 114 114 ARG HG3 H 1 1.415 0.01 . . . . . A 114 ARG HG3 . 18904 1 1251 . 1 1 114 114 ARG HD2 H 1 3.051 0.01 . . . . . A 114 ARG HD2 . 18904 1 1252 . 1 1 114 114 ARG HD3 H 1 2.96 0.01 . . . . . A 114 ARG HD3 . 18904 1 1253 . 1 1 114 114 ARG HE H 1 7.525 0.01 . . . . . A 114 ARG HE . 18904 1 1254 . 1 1 114 114 ARG CA C 13 55.973 0.01 . . . . . A 114 ARG CA . 18904 1 1255 . 1 1 114 114 ARG CB C 13 32.886 0.01 . . . . . A 114 ARG CB . 18904 1 1256 . 1 1 114 114 ARG CG C 13 32.75 0.01 . . . . . A 114 ARG CG . 18904 1 1257 . 1 1 114 114 ARG CD C 13 43.321 0.01 . . . . . A 114 ARG CD . 18904 1 1258 . 1 1 114 114 ARG N N 15 129.39 0.01 . . . . . A 114 ARG N . 18904 1 1259 . 1 1 114 114 ARG NE N 15 84.325 0.01 . . . . . A 114 ARG NE . 18904 1 1260 . 1 1 115 115 GLU H H 1 7.303 0.01 . . . . . A 115 GLU H . 18904 1 1261 . 1 1 115 115 GLU HA H 1 4.383 0.01 . . . . . A 115 GLU HA . 18904 1 1262 . 1 1 115 115 GLU HB2 H 1 1.831 0.01 . . . . . A 115 GLU HB2 . 18904 1 1263 . 1 1 115 115 GLU HB3 H 1 1.829 0.01 . . . . . A 115 GLU HB3 . 18904 1 1264 . 1 1 115 115 GLU HG2 H 1 2.097 0.01 . . . . . A 115 GLU HG2 . 18904 1 1265 . 1 1 115 115 GLU HG3 H 1 2.009 0.01 . . . . . A 115 GLU HG3 . 18904 1 1266 . 1 1 115 115 GLU CA C 13 55.755 0.01 . . . . . A 115 GLU CA . 18904 1 1267 . 1 1 115 115 GLU CB C 13 34.27 0.01 . . . . . A 115 GLU CB . 18904 1 1268 . 1 1 115 115 GLU CG C 13 36.74 0.01 . . . . . A 115 GLU CG . 18904 1 1269 . 1 1 115 115 GLU N N 15 115.554 0.01 . . . . . A 115 GLU N . 18904 1 1270 . 1 1 116 116 ILE H H 1 8.546 0.01 . . . . . A 116 ILE H . 18904 1 1271 . 1 1 116 116 ILE HA H 1 4.249 0.01 . . . . . A 116 ILE HA . 18904 1 1272 . 1 1 116 116 ILE HB H 1 1.504 0.01 . . . . . A 116 ILE HB . 18904 1 1273 . 1 1 116 116 ILE HG12 H 1 1.192 0.01 . . . . . A 116 ILE HG12 . 18904 1 1274 . 1 1 116 116 ILE HG13 H 1 1.191 0.01 . . . . . A 116 ILE HG13 . 18904 1 1275 . 1 1 116 116 ILE HG21 H 1 0.666 0.01 . . . . . A 116 ILE HG21 . 18904 1 1276 . 1 1 116 116 ILE HG22 H 1 0.666 0.01 . . . . . A 116 ILE HG22 . 18904 1 1277 . 1 1 116 116 ILE HG23 H 1 0.666 0.01 . . . . . A 116 ILE HG23 . 18904 1 1278 . 1 1 116 116 ILE HD11 H 1 0.585 0.01 . . . . . A 116 ILE HD11 . 18904 1 1279 . 1 1 116 116 ILE HD12 H 1 0.585 0.01 . . . . . A 116 ILE HD12 . 18904 1 1280 . 1 1 116 116 ILE HD13 H 1 0.585 0.01 . . . . . A 116 ILE HD13 . 18904 1 1281 . 1 1 116 116 ILE CA C 13 61.8 0.01 . . . . . A 116 ILE CA . 18904 1 1282 . 1 1 116 116 ILE CB C 13 40.898 0.01 . . . . . A 116 ILE CB . 18904 1 1283 . 1 1 116 116 ILE CG1 C 13 27.857 0.01 . . . . . A 116 ILE CG1 . 18904 1 1284 . 1 1 116 116 ILE CG2 C 13 17.344 0.01 . . . . . A 116 ILE CG2 . 18904 1 1285 . 1 1 116 116 ILE CD1 C 13 14.461 0.01 . . . . . A 116 ILE CD1 . 18904 1 1286 . 1 1 116 116 ILE N N 15 123.985 0.01 . . . . . A 116 ILE N . 18904 1 1287 . 1 1 117 117 ASN H H 1 8.636 0.01 . . . . . A 117 ASN H . 18904 1 1288 . 1 1 117 117 ASN HA H 1 4.888 0.01 . . . . . A 117 ASN HA . 18904 1 1289 . 1 1 117 117 ASN HB2 H 1 2.604 0.01 . . . . . A 117 ASN HB2 . 18904 1 1290 . 1 1 117 117 ASN HB3 H 1 2.537 0.01 . . . . . A 117 ASN HB3 . 18904 1 1291 . 1 1 117 117 ASN HD21 H 1 6.906 0.01 . . . . . A 117 ASN HD21 . 18904 1 1292 . 1 1 117 117 ASN HD22 H 1 7.651 0.01 . . . . . A 117 ASN HD22 . 18904 1 1293 . 1 1 117 117 ASN CA C 13 51.822 0.01 . . . . . A 117 ASN CA . 18904 1 1294 . 1 1 117 117 ASN CB C 13 40.096 0.01 . . . . . A 117 ASN CB . 18904 1 1295 . 1 1 117 117 ASN N N 15 126.815 0.01 . . . . . A 117 ASN N . 18904 1 1296 . 1 1 117 117 ASN ND2 N 15 115.145 0.01 . . . . . A 117 ASN ND2 . 18904 1 1297 . 1 1 118 118 GLY H H 1 8.89 0.01 . . . . . A 118 GLY H . 18904 1 1298 . 1 1 118 118 GLY HA2 H 1 3.491 0.01 . . . . . A 118 GLY HA2 . 18904 1 1299 . 1 1 118 118 GLY HA3 H 1 3.815 0.01 . . . . . A 118 GLY HA3 . 18904 1 1300 . 1 1 118 118 GLY CA C 13 47.525 0.01 . . . . . A 118 GLY CA . 18904 1 1301 . 1 1 118 118 GLY N N 15 115.018 0.01 . . . . . A 118 GLY N . 18904 1 1302 . 1 1 119 119 ASP H H 1 8.721 0.01 . . . . . A 119 ASP H . 18904 1 1303 . 1 1 119 119 ASP HA H 1 4.598 0.01 . . . . . A 119 ASP HA . 18904 1 1304 . 1 1 119 119 ASP HB2 H 1 2.624 0.01 . . . . . A 119 ASP HB2 . 18904 1 1305 . 1 1 119 119 ASP HB3 H 1 2.527 0.01 . . . . . A 119 ASP HB3 . 18904 1 1306 . 1 1 119 119 ASP CA C 13 52.696 0.01 . . . . . A 119 ASP CA . 18904 1 1307 . 1 1 119 119 ASP CB C 13 44.029 0.01 . . . . . A 119 ASP CB . 18904 1 1308 . 1 1 119 119 ASP N N 15 125.794 0.01 . . . . . A 119 ASP N . 18904 1 1309 . 1 1 120 120 SER H H 1 7.823 0.01 . . . . . A 120 SER H . 18904 1 1310 . 1 1 120 120 SER HA H 1 4.914 0.01 . . . . . A 120 SER HA . 18904 1 1311 . 1 1 120 120 SER HB2 H 1 3.763 0.01 . . . . . A 120 SER HB2 . 18904 1 1312 . 1 1 120 120 SER HB3 H 1 3.623 0.01 . . . . . A 120 SER HB3 . 18904 1 1313 . 1 1 120 120 SER CA C 13 57.721 0.01 . . . . . A 120 SER CA . 18904 1 1314 . 1 1 120 120 SER CB C 13 64.859 0.01 . . . . . A 120 SER CB . 18904 1 1315 . 1 1 120 120 SER N N 15 114.265 0.01 . . . . . A 120 SER N . 18904 1 1316 . 1 1 121 121 ILE H H 1 9.352 0.01 . . . . . A 121 ILE H . 18904 1 1317 . 1 1 121 121 ILE HA H 1 4.613 0.01 . . . . . A 121 ILE HA . 18904 1 1318 . 1 1 121 121 ILE HB H 1 1.72 0.01 . . . . . A 121 ILE HB . 18904 1 1319 . 1 1 121 121 ILE HG12 H 1 1.285 0.01 . . . . . A 121 ILE HG12 . 18904 1 1320 . 1 1 121 121 ILE HG13 H 1 0.959 0.01 . . . . . A 121 ILE HG13 . 18904 1 1321 . 1 1 121 121 ILE HG21 H 1 0.657 0.01 . . . . . A 121 ILE HG21 . 18904 1 1322 . 1 1 121 121 ILE HG22 H 1 0.657 0.01 . . . . . A 121 ILE HG22 . 18904 1 1323 . 1 1 121 121 ILE HG23 H 1 0.657 0.01 . . . . . A 121 ILE HG23 . 18904 1 1324 . 1 1 121 121 ILE HD11 H 1 0.457 0.01 . . . . . A 121 ILE HD11 . 18904 1 1325 . 1 1 121 121 ILE HD12 H 1 0.457 0.01 . . . . . A 121 ILE HD12 . 18904 1 1326 . 1 1 121 121 ILE HD13 H 1 0.457 0.01 . . . . . A 121 ILE HD13 . 18904 1 1327 . 1 1 121 121 ILE CA C 13 59.979 0.01 . . . . . A 121 ILE CA . 18904 1 1328 . 1 1 121 121 ILE CB C 13 40.388 0.01 . . . . . A 121 ILE CB . 18904 1 1329 . 1 1 121 121 ILE CG1 C 13 27.71 0.01 . . . . . A 121 ILE CG1 . 18904 1 1330 . 1 1 121 121 ILE CG2 C 13 18.999 0.01 . . . . . A 121 ILE CG2 . 18904 1 1331 . 1 1 121 121 ILE CD1 C 13 13.413 0.01 . . . . . A 121 ILE CD1 . 18904 1 1332 . 1 1 121 121 ILE N N 15 127.857 0.01 . . . . . A 121 ILE N . 18904 1 1333 . 1 1 122 122 THR H H 1 8.68 0.01 . . . . . A 122 THR H . 18904 1 1334 . 1 1 122 122 THR HA H 1 4.529 0.01 . . . . . A 122 THR HA . 18904 1 1335 . 1 1 122 122 THR HB H 1 3.815 0.01 . . . . . A 122 THR HB . 18904 1 1336 . 1 1 122 122 THR HG21 H 1 0.758 0.01 . . . . . A 122 THR HG21 . 18904 1 1337 . 1 1 122 122 THR HG22 H 1 0.758 0.01 . . . . . A 122 THR HG22 . 18904 1 1338 . 1 1 122 122 THR HG23 H 1 0.758 0.01 . . . . . A 122 THR HG23 . 18904 1 1339 . 1 1 122 122 THR CA C 13 62.31 0.01 . . . . . A 122 THR CA . 18904 1 1340 . 1 1 122 122 THR CB C 13 69.156 0.01 . . . . . A 122 THR CB . 18904 1 1341 . 1 1 122 122 THR CG2 C 13 22.118 0.01 . . . . . A 122 THR CG2 . 18904 1 1342 . 1 1 122 122 THR N N 15 124.222 0.01 . . . . . A 122 THR N . 18904 1 1343 . 1 1 123 123 VAL H H 1 9.157 0.01 . . . . . A 123 VAL H . 18904 1 1344 . 1 1 123 123 VAL HA H 1 4.234 0.01 . . . . . A 123 VAL HA . 18904 1 1345 . 1 1 123 123 VAL HB H 1 1.272 0.01 . . . . . A 123 VAL HB . 18904 1 1346 . 1 1 123 123 VAL HG11 H 1 -0.492 0.01 . . . . . A 123 VAL HG11 . 18904 1 1347 . 1 1 123 123 VAL HG12 H 1 -0.492 0.01 . . . . . A 123 VAL HG12 . 18904 1 1348 . 1 1 123 123 VAL HG13 H 1 -0.492 0.01 . . . . . A 123 VAL HG13 . 18904 1 1349 . 1 1 123 123 VAL HG21 H 1 0.335 0.01 . . . . . A 123 VAL HG21 . 18904 1 1350 . 1 1 123 123 VAL HG22 H 1 0.335 0.01 . . . . . A 123 VAL HG22 . 18904 1 1351 . 1 1 123 123 VAL HG23 H 1 0.335 0.01 . . . . . A 123 VAL HG23 . 18904 1 1352 . 1 1 123 123 VAL CA C 13 61.072 0.01 . . . . . A 123 VAL CA . 18904 1 1353 . 1 1 123 123 VAL CB C 13 34.124 0.01 . . . . . A 123 VAL CB . 18904 1 1354 . 1 1 123 123 VAL CG1 C 13 21.654 0.01 . . . . . A 123 VAL CG1 . 18904 1 1355 . 1 1 123 123 VAL CG2 C 13 22.545 0.01 . . . . . A 123 VAL CG2 . 18904 1 1356 . 1 1 123 123 VAL N N 15 130.67 0.01 . . . . . A 123 VAL N . 18904 1 1357 . 1 1 124 124 ASP H H 1 8.646 0.01 . . . . . A 124 ASP H . 18904 1 1358 . 1 1 124 124 ASP HA H 1 4.948 0.01 . . . . . A 124 ASP HA . 18904 1 1359 . 1 1 124 124 ASP HB2 H 1 2.816 0.01 . . . . . A 124 ASP HB2 . 18904 1 1360 . 1 1 124 124 ASP HB3 H 1 2.02 0.01 . . . . . A 124 ASP HB3 . 18904 1 1361 . 1 1 124 124 ASP CA C 13 52.113 0.01 . . . . . A 124 ASP CA . 18904 1 1362 . 1 1 124 124 ASP CB C 13 44.029 0.01 . . . . . A 124 ASP CB . 18904 1 1363 . 1 1 124 124 ASP N N 15 125.276 0.01 . . . . . A 124 ASP N . 18904 1 1364 . 1 1 125 125 PHE H H 1 9.339 0.01 . . . . . A 125 PHE H . 18904 1 1365 . 1 1 125 125 PHE HA H 1 4.691 0.01 . . . . . A 125 PHE HA . 18904 1 1366 . 1 1 125 125 PHE HB2 H 1 3.416 0.01 . . . . . A 125 PHE HB2 . 18904 1 1367 . 1 1 125 125 PHE HB3 H 1 2.946 0.01 . . . . . A 125 PHE HB3 . 18904 1 1368 . 1 1 125 125 PHE HD1 H 1 7.066 0.01 . . . . . A 125 PHE HD1 . 18904 1 1369 . 1 1 125 125 PHE HD2 H 1 7.066 0.01 . . . . . A 125 PHE HD2 . 18904 1 1370 . 1 1 125 125 PHE HE1 H 1 6.985 0.01 . . . . . A 125 PHE HE1 . 18904 1 1371 . 1 1 125 125 PHE HE2 H 1 6.985 0.01 . . . . . A 125 PHE HE2 . 18904 1 1372 . 1 1 125 125 PHE HZ H 1 6.322 0.01 . . . . . A 125 PHE HZ . 18904 1 1373 . 1 1 125 125 PHE CA C 13 58.595 0.01 . . . . . A 125 PHE CA . 18904 1 1374 . 1 1 125 125 PHE CB C 13 39.368 0.01 . . . . . A 125 PHE CB . 18904 1 1375 . 1 1 125 125 PHE CD2 C 13 132.274 0.01 . . . . . A 125 PHE CD2 . 18904 1 1376 . 1 1 125 125 PHE CE2 C 13 130.893 0.01 . . . . . A 125 PHE CE2 . 18904 1 1377 . 1 1 125 125 PHE CZ C 13 128.869 0.01 . . . . . A 125 PHE CZ . 18904 1 1378 . 1 1 125 125 PHE N N 15 125.846 0.01 . . . . . A 125 PHE N . 18904 1 1379 . 1 1 126 126 ASN H H 1 8.846 0.01 . . . . . A 126 ASN H . 18904 1 1380 . 1 1 126 126 ASN HA H 1 4.245 0.01 . . . . . A 126 ASN HA . 18904 1 1381 . 1 1 126 126 ASN HB2 H 1 3.13 0.01 . . . . . A 126 ASN HB2 . 18904 1 1382 . 1 1 126 126 ASN HB3 H 1 2.169 0.01 . . . . . A 126 ASN HB3 . 18904 1 1383 . 1 1 126 126 ASN HD21 H 1 7.067 0.01 . . . . . A 126 ASN HD21 . 18904 1 1384 . 1 1 126 126 ASN HD22 H 1 8.993 0.01 . . . . . A 126 ASN HD22 . 18904 1 1385 . 1 1 126 126 ASN CA C 13 55.172 0.01 . . . . . A 126 ASN CA . 18904 1 1386 . 1 1 126 126 ASN CB C 13 39.587 0.01 . . . . . A 126 ASN CB . 18904 1 1387 . 1 1 126 126 ASN N N 15 120.703 0.01 . . . . . A 126 ASN N . 18904 1 1388 . 1 1 126 126 ASN ND2 N 15 119.401 0.01 . . . . . A 126 ASN ND2 . 18904 1 1389 . 1 1 127 127 HIS H H 1 9.02 0.01 . . . . . A 127 HIS H . 18904 1 1390 . 1 1 127 127 HIS HA H 1 4.308 0.01 . . . . . A 127 HIS HA . 18904 1 1391 . 1 1 127 127 HIS HB2 H 1 3.223 0.01 . . . . . A 127 HIS HB2 . 18904 1 1392 . 1 1 127 127 HIS HB3 H 1 2.71 0.01 . . . . . A 127 HIS HB3 . 18904 1 1393 . 1 1 127 127 HIS HD2 H 1 7.082 0.01 . . . . . A 127 HIS HD2 . 18904 1 1394 . 1 1 127 127 HIS HE1 H 1 6.512 0.01 . . . . . A 127 HIS HE1 . 18904 1 1395 . 1 1 127 127 HIS CA C 13 57.357 0.01 . . . . . A 127 HIS CA . 18904 1 1396 . 1 1 127 127 HIS CB C 13 31.43 0.01 . . . . . A 127 HIS CB . 18904 1 1397 . 1 1 127 127 HIS CD2 C 13 118.21 0.01 . . . . . A 127 HIS CD2 . 18904 1 1398 . 1 1 127 127 HIS CE1 C 13 137.554 0.01 . . . . . A 127 HIS CE1 . 18904 1 1399 . 1 1 127 127 HIS N N 15 124.877 0.01 . . . . . A 127 HIS N . 18904 1 1400 . 1 1 128 128 PRO HA H 1 4.088 0.01 . . . . . A 128 PRO HA . 18904 1 1401 . 1 1 128 128 PRO HB2 H 1 2.102 0.01 . . . . . A 128 PRO HB2 . 18904 1 1402 . 1 1 128 128 PRO HB3 H 1 1.557 0.01 . . . . . A 128 PRO HB3 . 18904 1 1403 . 1 1 128 128 PRO HG2 H 1 1.594 0.01 . . . . . A 128 PRO HG2 . 18904 1 1404 . 1 1 128 128 PRO HG3 H 1 1.51 0.01 . . . . . A 128 PRO HG3 . 18904 1 1405 . 1 1 128 128 PRO HD2 H 1 3.293 0.01 . . . . . A 128 PRO HD2 . 18904 1 1406 . 1 1 128 128 PRO HD3 H 1 2.01 0.01 . . . . . A 128 PRO HD3 . 18904 1 1407 . 1 1 128 128 PRO CA C 13 64.798 0.01 . . . . . A 128 PRO CA . 18904 1 1408 . 1 1 128 128 PRO CB C 13 32.186 0.01 . . . . . A 128 PRO CB . 18904 1 1409 . 1 1 128 128 PRO CG C 13 27.811 0.01 . . . . . A 128 PRO CG . 18904 1 1410 . 1 1 128 128 PRO CD C 13 50.71 0.01 . . . . . A 128 PRO CD . 18904 1 1411 . 1 1 129 129 LEU H H 1 11.208 0.01 . . . . . A 129 LEU H . 18904 1 1412 . 1 1 129 129 LEU HA H 1 4.321 0.01 . . . . . A 129 LEU HA . 18904 1 1413 . 1 1 129 129 LEU HB2 H 1 1.265 0.01 . . . . . A 129 LEU HB2 . 18904 1 1414 . 1 1 129 129 LEU HB3 H 1 1.215 0.01 . . . . . A 129 LEU HB3 . 18904 1 1415 . 1 1 129 129 LEU HG H 1 1.284 0.01 . . . . . A 129 LEU HG . 18904 1 1416 . 1 1 129 129 LEU HD11 H 1 0.535 0.01 . . . . . A 129 LEU HD11 . 18904 1 1417 . 1 1 129 129 LEU HD12 H 1 0.535 0.01 . . . . . A 129 LEU HD12 . 18904 1 1418 . 1 1 129 129 LEU HD13 H 1 0.535 0.01 . . . . . A 129 LEU HD13 . 18904 1 1419 . 1 1 129 129 LEU HD21 H 1 0.324 0.01 . . . . . A 129 LEU HD21 . 18904 1 1420 . 1 1 129 129 LEU HD22 H 1 0.324 0.01 . . . . . A 129 LEU HD22 . 18904 1 1421 . 1 1 129 129 LEU HD23 H 1 0.324 0.01 . . . . . A 129 LEU HD23 . 18904 1 1422 . 1 1 129 129 LEU CA C 13 53.497 0.01 . . . . . A 129 LEU CA . 18904 1 1423 . 1 1 129 129 LEU CB C 13 41.189 0.01 . . . . . A 129 LEU CB . 18904 1 1424 . 1 1 129 129 LEU CD1 C 13 23.199 0.01 . . . . . A 129 LEU CD1 . 18904 1 1425 . 1 1 129 129 LEU CD2 C 13 25.943 0.01 . . . . . A 129 LEU CD2 . 18904 1 1426 . 1 1 129 129 LEU N N 15 120.037 0.01 . . . . . A 129 LEU N . 18904 1 1427 . 1 1 130 130 ALA H H 1 8.233 0.01 . . . . . A 130 ALA H . 18904 1 1428 . 1 1 130 130 ALA HA H 1 4.008 0.01 . . . . . A 130 ALA HA . 18904 1 1429 . 1 1 130 130 ALA HB1 H 1 1.162 0.01 . . . . . A 130 ALA HB1 . 18904 1 1430 . 1 1 130 130 ALA HB2 H 1 1.162 0.01 . . . . . A 130 ALA HB2 . 18904 1 1431 . 1 1 130 130 ALA HB3 H 1 1.162 0.01 . . . . . A 130 ALA HB3 . 18904 1 1432 . 1 1 130 130 ALA CA C 13 53.789 0.01 . . . . . A 130 ALA CA . 18904 1 1433 . 1 1 130 130 ALA CB C 13 18.102 0.01 . . . . . A 130 ALA CB . 18904 1 1434 . 1 1 130 130 ALA N N 15 125.872 0.01 . . . . . A 130 ALA N . 18904 1 1435 . 1 1 131 131 GLY H H 1 9.332 0.01 . . . . . A 131 GLY H . 18904 1 1436 . 1 1 131 131 GLY HA2 H 1 3.652 0.01 . . . . . A 131 GLY HA2 . 18904 1 1437 . 1 1 131 131 GLY HA3 H 1 4.13 0.01 . . . . . A 131 GLY HA3 . 18904 1 1438 . 1 1 131 131 GLY CA C 13 45.559 0.01 . . . . . A 131 GLY CA . 18904 1 1439 . 1 1 131 131 GLY N N 15 109.16 0.01 . . . . . A 131 GLY N . 18904 1 1440 . 1 1 132 132 GLN H H 1 7.434 0.01 . . . . . A 132 GLN H . 18904 1 1441 . 1 1 132 132 GLN HA H 1 4.515 0.01 . . . . . A 132 GLN HA . 18904 1 1442 . 1 1 132 132 GLN HB2 H 1 1.928 0.01 . . . . . A 132 GLN HB2 . 18904 1 1443 . 1 1 132 132 GLN HB3 H 1 1.761 0.01 . . . . . A 132 GLN HB3 . 18904 1 1444 . 1 1 132 132 GLN HG2 H 1 2.045 0.01 . . . . . A 132 GLN HG2 . 18904 1 1445 . 1 1 132 132 GLN HG3 H 1 2.044 0.01 . . . . . A 132 GLN HG3 . 18904 1 1446 . 1 1 132 132 GLN HE21 H 1 6.727 0.01 . . . . . A 132 GLN HE21 . 18904 1 1447 . 1 1 132 132 GLN HE22 H 1 7.44 0.01 . . . . . A 132 GLN HE22 . 18904 1 1448 . 1 1 132 132 GLN CA C 13 54.735 0.01 . . . . . A 132 GLN CA . 18904 1 1449 . 1 1 132 132 GLN CB C 13 29.318 0.01 . . . . . A 132 GLN CB . 18904 1 1450 . 1 1 132 132 GLN CG C 13 32.921 0.01 . . . . . A 132 GLN CG . 18904 1 1451 . 1 1 132 132 GLN N N 15 117.754 0.01 . . . . . A 132 GLN N . 18904 1 1452 . 1 1 132 132 GLN NE2 N 15 113.091 0.01 . . . . . A 132 GLN NE2 . 18904 1 1453 . 1 1 133 133 THR H H 1 8.585 0.01 . . . . . A 133 THR H . 18904 1 1454 . 1 1 133 133 THR HA H 1 4.439 0.01 . . . . . A 133 THR HA . 18904 1 1455 . 1 1 133 133 THR HB H 1 4.014 0.01 . . . . . A 133 THR HB . 18904 1 1456 . 1 1 133 133 THR HG21 H 1 0.809 0.01 . . . . . A 133 THR HG21 . 18904 1 1457 . 1 1 133 133 THR HG22 H 1 0.809 0.01 . . . . . A 133 THR HG22 . 18904 1 1458 . 1 1 133 133 THR HG23 H 1 0.809 0.01 . . . . . A 133 THR HG23 . 18904 1 1459 . 1 1 133 133 THR CA C 13 64.13 0.01 . . . . . A 133 THR CA . 18904 1 1460 . 1 1 133 133 THR CB C 13 68.937 0.01 . . . . . A 133 THR CB . 18904 1 1461 . 1 1 133 133 THR CG2 C 13 20.815 0.01 . . . . . A 133 THR CG2 . 18904 1 1462 . 1 1 133 133 THR N N 15 123.051 0.01 . . . . . A 133 THR N . 18904 1 1463 . 1 1 134 134 VAL H H 1 8.213 0.01 . . . . . A 134 VAL H . 18904 1 1464 . 1 1 134 134 VAL HA H 1 4.595 0.01 . . . . . A 134 VAL HA . 18904 1 1465 . 1 1 134 134 VAL HB H 1 1.671 0.01 . . . . . A 134 VAL HB . 18904 1 1466 . 1 1 134 134 VAL HG11 H 1 0.557 0.01 . . . . . A 134 VAL HG11 . 18904 1 1467 . 1 1 134 134 VAL HG12 H 1 0.557 0.01 . . . . . A 134 VAL HG12 . 18904 1 1468 . 1 1 134 134 VAL HG13 H 1 0.557 0.01 . . . . . A 134 VAL HG13 . 18904 1 1469 . 1 1 134 134 VAL HG21 H 1 0.737 0.01 . . . . . A 134 VAL HG21 . 18904 1 1470 . 1 1 134 134 VAL HG22 H 1 0.737 0.01 . . . . . A 134 VAL HG22 . 18904 1 1471 . 1 1 134 134 VAL HG23 H 1 0.737 0.01 . . . . . A 134 VAL HG23 . 18904 1 1472 . 1 1 134 134 VAL CA C 13 59.833 0.01 . . . . . A 134 VAL CA . 18904 1 1473 . 1 1 134 134 VAL CB C 13 34.634 0.01 . . . . . A 134 VAL CB . 18904 1 1474 . 1 1 134 134 VAL CG1 C 13 22.523 0.01 . . . . . A 134 VAL CG1 . 18904 1 1475 . 1 1 134 134 VAL CG2 C 13 20.895 0.01 . . . . . A 134 VAL CG2 . 18904 1 1476 . 1 1 134 134 VAL N N 15 120.732 0.01 . . . . . A 134 VAL N . 18904 1 1477 . 1 1 135 135 HIS H H 1 8.587 0.01 . . . . . A 135 HIS H . 18904 1 1478 . 1 1 135 135 HIS HA H 1 4.721 0.01 . . . . . A 135 HIS HA . 18904 1 1479 . 1 1 135 135 HIS HB2 H 1 2.868 0.01 . . . . . A 135 HIS HB2 . 18904 1 1480 . 1 1 135 135 HIS HB3 H 1 2.63 0.01 . . . . . A 135 HIS HB3 . 18904 1 1481 . 1 1 135 135 HIS HD2 H 1 6.473 0.01 . . . . . A 135 HIS HD2 . 18904 1 1482 . 1 1 135 135 HIS HE1 H 1 7.623 0.01 . . . . . A 135 HIS HE1 . 18904 1 1483 . 1 1 135 135 HIS CA C 13 55.245 0.01 . . . . . A 135 HIS CA . 18904 1 1484 . 1 1 135 135 HIS CB C 13 31.284 0.01 . . . . . A 135 HIS CB . 18904 1 1485 . 1 1 135 135 HIS CD2 C 13 118.45 0.01 . . . . . A 135 HIS CD2 . 18904 1 1486 . 1 1 135 135 HIS CE1 C 13 138.34 0.01 . . . . . A 135 HIS CE1 . 18904 1 1487 . 1 1 135 135 HIS N N 15 123.4 0.01 . . . . . A 135 HIS N . 18904 1 1488 . 1 1 136 136 PHE H H 1 9.12 0.01 . . . . . A 136 PHE H . 18904 1 1489 . 1 1 136 136 PHE HA H 1 4.799 0.01 . . . . . A 136 PHE HA . 18904 1 1490 . 1 1 136 136 PHE HB2 H 1 1.94 0.01 . . . . . A 136 PHE HB2 . 18904 1 1491 . 1 1 136 136 PHE HB3 H 1 1.279 0.01 . . . . . A 136 PHE HB3 . 18904 1 1492 . 1 1 136 136 PHE HD1 H 1 6.641 0.01 . . . . . A 136 PHE HD1 . 18904 1 1493 . 1 1 136 136 PHE HD2 H 1 6.641 0.01 . . . . . A 136 PHE HD2 . 18904 1 1494 . 1 1 136 136 PHE HE1 H 1 6.771 0.01 . . . . . A 136 PHE HE1 . 18904 1 1495 . 1 1 136 136 PHE HE2 H 1 6.771 0.01 . . . . . A 136 PHE HE2 . 18904 1 1496 . 1 1 136 136 PHE HZ H 1 6.566 0.01 . . . . . A 136 PHE HZ . 18904 1 1497 . 1 1 136 136 PHE CA C 13 58.013 0.01 . . . . . A 136 PHE CA . 18904 1 1498 . 1 1 136 136 PHE CB C 13 43.301 0.01 . . . . . A 136 PHE CB . 18904 1 1499 . 1 1 136 136 PHE CD1 C 13 131.538 0.01 . . . . . A 136 PHE CD1 . 18904 1 1500 . 1 1 136 136 PHE CE1 C 13 131.339 0.01 . . . . . A 136 PHE CE1 . 18904 1 1501 . 1 1 136 136 PHE N N 15 124.965 0.01 . . . . . A 136 PHE N . 18904 1 1502 . 1 1 137 137 ASP H H 1 8.087 0.01 . . . . . A 137 ASP H . 18904 1 1503 . 1 1 137 137 ASP HA H 1 5.204 0.01 . . . . . A 137 ASP HA . 18904 1 1504 . 1 1 137 137 ASP HB2 H 1 2.785 0.01 . . . . . A 137 ASP HB2 . 18904 1 1505 . 1 1 137 137 ASP HB3 H 1 2.435 0.01 . . . . . A 137 ASP HB3 . 18904 1 1506 . 1 1 137 137 ASP CA C 13 54.226 0.01 . . . . . A 137 ASP CA . 18904 1 1507 . 1 1 137 137 ASP CB C 13 43.519 0.01 . . . . . A 137 ASP CB . 18904 1 1508 . 1 1 137 137 ASP N N 15 121.841 0.01 . . . . . A 137 ASP N . 18904 1 1509 . 1 1 138 138 ILE H H 1 9.072 0.01 . . . . . A 138 ILE H . 18904 1 1510 . 1 1 138 138 ILE HA H 1 5.052 0.01 . . . . . A 138 ILE HA . 18904 1 1511 . 1 1 138 138 ILE HB H 1 1.646 0.01 . . . . . A 138 ILE HB . 18904 1 1512 . 1 1 138 138 ILE HG12 H 1 1.624 0.01 . . . . . A 138 ILE HG12 . 18904 1 1513 . 1 1 138 138 ILE HG13 H 1 1.142 0.01 . . . . . A 138 ILE HG13 . 18904 1 1514 . 1 1 138 138 ILE HG21 H 1 0.715 0.01 . . . . . A 138 ILE HG21 . 18904 1 1515 . 1 1 138 138 ILE HG22 H 1 0.715 0.01 . . . . . A 138 ILE HG22 . 18904 1 1516 . 1 1 138 138 ILE HG23 H 1 0.715 0.01 . . . . . A 138 ILE HG23 . 18904 1 1517 . 1 1 138 138 ILE HD11 H 1 0.741 0.01 . . . . . A 138 ILE HD11 . 18904 1 1518 . 1 1 138 138 ILE HD12 H 1 0.741 0.01 . . . . . A 138 ILE HD12 . 18904 1 1519 . 1 1 138 138 ILE HD13 H 1 0.741 0.01 . . . . . A 138 ILE HD13 . 18904 1 1520 . 1 1 138 138 ILE CA C 13 60.27 0.01 . . . . . A 138 ILE CA . 18904 1 1521 . 1 1 138 138 ILE CB C 13 42.573 0.01 . . . . . A 138 ILE CB . 18904 1 1522 . 1 1 138 138 ILE CG1 C 13 28.542 0.01 . . . . . A 138 ILE CG1 . 18904 1 1523 . 1 1 138 138 ILE CG2 C 13 17.249 0.01 . . . . . A 138 ILE CG2 . 18904 1 1524 . 1 1 138 138 ILE CD1 C 13 14.561 0.01 . . . . . A 138 ILE CD1 . 18904 1 1525 . 1 1 138 138 ILE N N 15 124.469 0.01 . . . . . A 138 ILE N . 18904 1 1526 . 1 1 139 139 GLU H H 1 8.927 0.01 . . . . . A 139 GLU H . 18904 1 1527 . 1 1 139 139 GLU HA H 1 5.12 0.01 . . . . . A 139 GLU HA . 18904 1 1528 . 1 1 139 139 GLU HB2 H 1 1.645 0.01 . . . . . A 139 GLU HB2 . 18904 1 1529 . 1 1 139 139 GLU HB3 H 1 1.146 0.01 . . . . . A 139 GLU HB3 . 18904 1 1530 . 1 1 139 139 GLU HG2 H 1 1.932 0.01 . . . . . A 139 GLU HG2 . 18904 1 1531 . 1 1 139 139 GLU HG3 H 1 1.778 0.01 . . . . . A 139 GLU HG3 . 18904 1 1532 . 1 1 139 139 GLU CA C 13 54.298 0.01 . . . . . A 139 GLU CA . 18904 1 1533 . 1 1 139 139 GLU CB C 13 33.615 0.01 . . . . . A 139 GLU CB . 18904 1 1534 . 1 1 139 139 GLU CG C 13 35.4 0.01 . . . . . A 139 GLU CG . 18904 1 1535 . 1 1 139 139 GLU N N 15 127.858 0.01 . . . . . A 139 GLU N . 18904 1 1536 . 1 1 140 140 VAL H H 1 8.448 0.01 . . . . . A 140 VAL H . 18904 1 1537 . 1 1 140 140 VAL HA H 1 3.719 0.01 . . . . . A 140 VAL HA . 18904 1 1538 . 1 1 140 140 VAL HB H 1 2.251 0.01 . . . . . A 140 VAL HB . 18904 1 1539 . 1 1 140 140 VAL HG11 H 1 0.439 0.01 . . . . . A 140 VAL HG11 . 18904 1 1540 . 1 1 140 140 VAL HG12 H 1 0.439 0.01 . . . . . A 140 VAL HG12 . 18904 1 1541 . 1 1 140 140 VAL HG13 H 1 0.439 0.01 . . . . . A 140 VAL HG13 . 18904 1 1542 . 1 1 140 140 VAL HG21 H 1 0.685 0.01 . . . . . A 140 VAL HG21 . 18904 1 1543 . 1 1 140 140 VAL HG22 H 1 0.685 0.01 . . . . . A 140 VAL HG22 . 18904 1 1544 . 1 1 140 140 VAL HG23 H 1 0.685 0.01 . . . . . A 140 VAL HG23 . 18904 1 1545 . 1 1 140 140 VAL CA C 13 64.276 0.01 . . . . . A 140 VAL CA . 18904 1 1546 . 1 1 140 140 VAL CB C 13 31.648 0.01 . . . . . A 140 VAL CB . 18904 1 1547 . 1 1 140 140 VAL CG1 C 13 21.85 0.01 . . . . . A 140 VAL CG1 . 18904 1 1548 . 1 1 140 140 VAL CG2 C 13 22.112 0.01 . . . . . A 140 VAL CG2 . 18904 1 1549 . 1 1 140 140 VAL N N 15 126.105 0.01 . . . . . A 140 VAL N . 18904 1 1550 . 1 1 141 141 LEU H H 1 9.202 0.01 . . . . . A 141 LEU H . 18904 1 1551 . 1 1 141 141 LEU HA H 1 4.416 0.01 . . . . . A 141 LEU HA . 18904 1 1552 . 1 1 141 141 LEU HB2 H 1 1.494 0.01 . . . . . A 141 LEU HB2 . 18904 1 1553 . 1 1 141 141 LEU HB3 H 1 1.401 0.01 . . . . . A 141 LEU HB3 . 18904 1 1554 . 1 1 141 141 LEU HG H 1 1.275 0.01 . . . . . A 141 LEU HG . 18904 1 1555 . 1 1 141 141 LEU HD11 H 1 0.395 0.01 . . . . . A 141 LEU HD11 . 18904 1 1556 . 1 1 141 141 LEU HD12 H 1 0.395 0.01 . . . . . A 141 LEU HD12 . 18904 1 1557 . 1 1 141 141 LEU HD13 H 1 0.395 0.01 . . . . . A 141 LEU HD13 . 18904 1 1558 . 1 1 141 141 LEU HD21 H 1 0.63 0.01 . . . . . A 141 LEU HD21 . 18904 1 1559 . 1 1 141 141 LEU HD22 H 1 0.63 0.01 . . . . . A 141 LEU HD22 . 18904 1 1560 . 1 1 141 141 LEU HD23 H 1 0.63 0.01 . . . . . A 141 LEU HD23 . 18904 1 1561 . 1 1 141 141 LEU CA C 13 56.41 0.01 . . . . . A 141 LEU CA . 18904 1 1562 . 1 1 141 141 LEU CB C 13 43.01 0.01 . . . . . A 141 LEU CB . 18904 1 1563 . 1 1 141 141 LEU CD1 C 13 25.931 0.01 . . . . . A 141 LEU CD1 . 18904 1 1564 . 1 1 141 141 LEU CD2 C 13 22.23 0.01 . . . . . A 141 LEU CD2 . 18904 1 1565 . 1 1 141 141 LEU N N 15 130.567 0.01 . . . . . A 141 LEU N . 18904 1 1566 . 1 1 142 142 GLU H H 1 7.478 0.01 . . . . . A 142 GLU H . 18904 1 1567 . 1 1 142 142 GLU HA H 1 4.24 0.01 . . . . . A 142 GLU HA . 18904 1 1568 . 1 1 142 142 GLU HB2 H 1 1.789 0.01 . . . . . A 142 GLU HB2 . 18904 1 1569 . 1 1 142 142 GLU HB3 H 1 1.623 0.01 . . . . . A 142 GLU HB3 . 18904 1 1570 . 1 1 142 142 GLU HG2 H 1 2.092 0.01 . . . . . A 142 GLU HG2 . 18904 1 1571 . 1 1 142 142 GLU HG3 H 1 1.974 0.01 . . . . . A 142 GLU HG3 . 18904 1 1572 . 1 1 142 142 GLU CA C 13 56.556 0.01 . . . . . A 142 GLU CA . 18904 1 1573 . 1 1 142 142 GLU CB C 13 34.343 0.01 . . . . . A 142 GLU CB . 18904 1 1574 . 1 1 142 142 GLU CG C 13 36.73 0.01 . . . . . A 142 GLU CG . 18904 1 1575 . 1 1 142 142 GLU N N 15 115.578 0.01 . . . . . A 142 GLU N . 18904 1 1576 . 1 1 143 143 ILE H H 1 8.75 0.01 . . . . . A 143 ILE H . 18904 1 1577 . 1 1 143 143 ILE HA H 1 4.26 0.01 . . . . . A 143 ILE HA . 18904 1 1578 . 1 1 143 143 ILE HB H 1 1.419 0.01 . . . . . A 143 ILE HB . 18904 1 1579 . 1 1 143 143 ILE HG12 H 1 1.202 0.01 . . . . . A 143 ILE HG12 . 18904 1 1580 . 1 1 143 143 ILE HG13 H 1 0.049 0.01 . . . . . A 143 ILE HG13 . 18904 1 1581 . 1 1 143 143 ILE HG21 H 1 0.711 0.01 . . . . . A 143 ILE HG21 . 18904 1 1582 . 1 1 143 143 ILE HG22 H 1 0.711 0.01 . . . . . A 143 ILE HG22 . 18904 1 1583 . 1 1 143 143 ILE HG23 H 1 0.711 0.01 . . . . . A 143 ILE HG23 . 18904 1 1584 . 1 1 143 143 ILE HD11 H 1 0.561 0.01 . . . . . A 143 ILE HD11 . 18904 1 1585 . 1 1 143 143 ILE HD12 H 1 0.561 0.01 . . . . . A 143 ILE HD12 . 18904 1 1586 . 1 1 143 143 ILE HD13 H 1 0.561 0.01 . . . . . A 143 ILE HD13 . 18904 1 1587 . 1 1 143 143 ILE CA C 13 61.217 0.01 . . . . . A 143 ILE CA . 18904 1 1588 . 1 1 143 143 ILE CB C 13 39.732 0.01 . . . . . A 143 ILE CB . 18904 1 1589 . 1 1 143 143 ILE CG1 C 13 28.375 0.01 . . . . . A 143 ILE CG1 . 18904 1 1590 . 1 1 143 143 ILE CG2 C 13 18.34 0.01 . . . . . A 143 ILE CG2 . 18904 1 1591 . 1 1 143 143 ILE CD1 C 13 14.621 0.01 . . . . . A 143 ILE CD1 . 18904 1 1592 . 1 1 143 143 ILE N N 15 125.566 0.01 . . . . . A 143 ILE N . 18904 1 1593 . 1 1 144 144 ASP H H 1 9.65 0.01 . . . . . A 144 ASP H . 18904 1 1594 . 1 1 144 144 ASP HA H 1 4.426 0.01 . . . . . A 144 ASP HA . 18904 1 1595 . 1 1 144 144 ASP HB2 H 1 2.715 0.01 . . . . . A 144 ASP HB2 . 18904 1 1596 . 1 1 144 144 ASP HB3 H 1 2.611 0.01 . . . . . A 144 ASP HB3 . 18904 1 1597 . 1 1 144 144 ASP CA C 13 55.755 0.01 . . . . . A 144 ASP CA . 18904 1 1598 . 1 1 144 144 ASP CB C 13 40.096 0.01 . . . . . A 144 ASP CB . 18904 1 1599 . 1 1 144 144 ASP N N 15 125.051 0.01 . . . . . A 144 ASP N . 18904 1 1600 . 1 1 145 145 PRO HA H 1 4.225 0.01 . . . . . A 145 PRO HA . 18904 1 1601 . 1 1 145 145 PRO HB2 H 1 1.92 0.01 . . . . . A 145 PRO HB2 . 18904 1 1602 . 1 1 145 145 PRO HB3 H 1 1.721 0.01 . . . . . A 145 PRO HB3 . 18904 1 1603 . 1 1 145 145 PRO HG2 H 1 1.484 0.01 . . . . . A 145 PRO HG2 . 18904 1 1604 . 1 1 145 145 PRO HG3 H 1 1.483 0.01 . . . . . A 145 PRO HG3 . 18904 1 1605 . 1 1 145 145 PRO HD2 H 1 3.394 0.01 . . . . . A 145 PRO HD2 . 18904 1 1606 . 1 1 145 145 PRO HD3 H 1 3.067 0.01 . . . . . A 145 PRO HD3 . 18904 1 1607 . 1 1 145 145 PRO CA C 13 62.819 0.01 . . . . . A 145 PRO CA . 18904 1 1608 . 1 1 145 145 PRO CB C 13 32.741 0.01 . . . . . A 145 PRO CB . 18904 1 1609 . 1 1 145 145 PRO CG C 13 27.706 0.01 . . . . . A 145 PRO CG . 18904 1 1610 . 1 1 145 145 PRO CD C 13 50.792 0.01 . . . . . A 145 PRO CD . 18904 1 1611 . 1 1 146 146 ALA H H 1 8.504 0.01 . . . . . A 146 ALA H . 18904 1 1612 . 1 1 146 146 ALA HA H 1 4.139 0.01 . . . . . A 146 ALA HA . 18904 1 1613 . 1 1 146 146 ALA HB1 H 1 1.204 0.01 . . . . . A 146 ALA HB1 . 18904 1 1614 . 1 1 146 146 ALA HB2 H 1 1.204 0.01 . . . . . A 146 ALA HB2 . 18904 1 1615 . 1 1 146 146 ALA HB3 H 1 1.204 0.01 . . . . . A 146 ALA HB3 . 18904 1 1616 . 1 1 146 146 ALA CA C 13 52.478 0.01 . . . . . A 146 ALA CA . 18904 1 1617 . 1 1 146 146 ALA CB C 13 18.634 0.01 . . . . . A 146 ALA CB . 18904 1 1618 . 1 1 146 146 ALA N N 15 124.536 0.01 . . . . . A 146 ALA N . 18904 1 1619 . 1 1 147 147 LEU H H 1 8.047 0.01 . . . . . A 147 LEU H . 18904 1 1620 . 1 1 147 147 LEU HA H 1 4.108 0.01 . . . . . A 147 LEU HA . 18904 1 1621 . 1 1 147 147 LEU HB2 H 1 1.418 0.01 . . . . . A 147 LEU HB2 . 18904 1 1622 . 1 1 147 147 LEU HB3 H 1 1.32 0.01 . . . . . A 147 LEU HB3 . 18904 1 1623 . 1 1 147 147 LEU HG H 1 1.303 0.01 . . . . . A 147 LEU HG . 18904 1 1624 . 1 1 147 147 LEU HD11 H 1 0.64 0.01 . . . . . A 147 LEU HD11 . 18904 1 1625 . 1 1 147 147 LEU HD12 H 1 0.64 0.01 . . . . . A 147 LEU HD12 . 18904 1 1626 . 1 1 147 147 LEU HD13 H 1 0.64 0.01 . . . . . A 147 LEU HD13 . 18904 1 1627 . 1 1 147 147 LEU HD21 H 1 0.709 0.01 . . . . . A 147 LEU HD21 . 18904 1 1628 . 1 1 147 147 LEU HD22 H 1 0.709 0.01 . . . . . A 147 LEU HD22 . 18904 1 1629 . 1 1 147 147 LEU HD23 H 1 0.709 0.01 . . . . . A 147 LEU HD23 . 18904 1 1630 . 1 1 147 147 LEU CA C 13 55.258 0.01 . . . . . A 147 LEU CA . 18904 1 1631 . 1 1 147 147 LEU CB C 13 42.669 0.01 . . . . . A 147 LEU CB . 18904 1 1632 . 1 1 147 147 LEU CG C 13 26.717 0.01 . . . . . A 147 LEU CG . 18904 1 1633 . 1 1 147 147 LEU CD1 C 13 23.487 0.01 . . . . . A 147 LEU CD1 . 18904 1 1634 . 1 1 147 147 LEU CD2 C 13 25.259 0.01 . . . . . A 147 LEU CD2 . 18904 1 1635 . 1 1 147 147 LEU N N 15 122.468 0.01 . . . . . A 147 LEU N . 18904 1 1636 . 1 1 148 148 GLU H H 1 8.239 0.01 . . . . . A 148 GLU H . 18904 1 1637 . 1 1 148 148 GLU HA H 1 4.019 0.01 . . . . . A 148 GLU HA . 18904 1 1638 . 1 1 148 148 GLU HB2 H 1 1.744 0.01 . . . . . A 148 GLU HB2 . 18904 1 1639 . 1 1 148 148 GLU HB3 H 1 1.687 0.01 . . . . . A 148 GLU HB3 . 18904 1 1640 . 1 1 148 148 GLU HG2 H 1 2.021 0.01 . . . . . A 148 GLU HG2 . 18904 1 1641 . 1 1 148 148 GLU HG3 H 1 1.94 0.01 . . . . . A 148 GLU HG3 . 18904 1 1642 . 1 1 148 148 GLU CA C 13 56.73 0.01 . . . . . A 148 GLU CA . 18904 1 1643 . 1 1 148 148 GLU CB C 13 30.08 0.01 . . . . . A 148 GLU CB . 18904 1 1644 . 1 1 148 148 GLU CG C 13 36.318 0.01 . . . . . A 148 GLU CG . 18904 1 1645 . 1 1 148 148 GLU N N 15 121.173 0.01 . . . . . A 148 GLU N . 18904 1 stop_ save_