data_5936 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5936 _Entry.Title ; Backbone 1H, 15N, 13C Resonance Assignment of b-ADT ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-09-08 _Entry.Accession_date 2003-09-08 _Entry.Last_release_date 2004-04-07 _Entry.Original_release_date 2004-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael John . . . 5936 2 Markus Heller . . . 5936 3 Murray Coles . . . 5936 4 Gundula Bosch . . . 5936 5 Wolfgang Baumeister . . . 5936 6 Horst Kessler . . . 5936 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5936 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 241 5936 '13C chemical shifts' 248 5936 '15N chemical shifts' 116 5936 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 . . 2004-04-07 2003-09-08 original author . 5936 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5930 'chmeical shifts of a-ADT' 5936 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5936 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15014236 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 15N and 13C resonance assignments of [agr]-ADT and [bgr]-ADT ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 2 _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 209 _Citation.Page_last 210 _Citation.Year 2004 _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 John . . . 5936 1 2 Markus Heller . . . 5936 1 3 Murray Coles . . . 5936 1 4 Gundula Bosch . . . 5936 1 5 Wolfgang Baumeister . . . 5936 1 6 Horst Kessler . . . 5936 1 stop_ save_ save_citation_Wishart(1995) _Citation.Sf_category citations _Citation.Sf_framecode citation_Wishart(1995) _Citation.Entry_ID 5936 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation 'J. Biomol. NMR, 6 (1995) 135-140.' _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 5936 2 2 'C G' Bigam C. G. . 5936 2 3 J Yao J. . . 5936 2 4 F Abildgaard F. . . 5936 2 5 'H J' Dyson H. J. . 5936 2 6 E Oldfield E. . . 5936 2 7 'J L' Markley J. L. . 5936 2 8 'B D' Sykes B. D. . 5936 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_bADT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_bADT _Assembly.Entry_ID 5936 _Assembly.ID 1 _Assembly.Name bADT _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5936 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 bADT 1 $bADT . . . native . . . . . 5936 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1E0R . . . . . 'PDB-entry is an X-RAY structure' 5936 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID bADT system 5936 1 bADT abbreviation 5936 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID chaperonin 5936 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bADT _Entity.Sf_category entity _Entity.Sf_framecode bADT _Entity.Entry_ID 5936 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'apical domain of the Thermosome' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSGIIVDKEKVHPGMPDVVK DAKIALLDAPLEIKKPEFDT NLRIEDPSMIQKFLAQEENM LREMVDKIKSVGANVVITQK GIDDMAQHYLSRAGIYAVRR VKKSDMDKLAKATGASIVST IDEISSSDLGTAERVEQVKV GEDYMTFVTGSKNHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1A6D . "Thermosome From T. Acidophilum" . . . . . 96.23 543 98.04 99.35 1.55e-98 . . . . 5936 1 2 no PDB 1A6E . "Thermosome-Mg-Adp-Alf3 Complex" . . . . . 96.23 543 98.04 99.35 1.55e-98 . . . . 5936 1 3 no PDB 1E0R . "Beta-Apical Domain Of Thermosome" . . . . . 100.00 159 99.37 100.00 9.12e-110 . . . . 5936 1 4 no EMBL CAA86611 . "thermosome beta-subunit [Thermoplasma acidophilum]" . . . . . 96.23 543 98.04 99.35 1.55e-98 . . . . 5936 1 5 no EMBL CAC12400 . "thermosome beta chain [Thermoplasma acidophilum]" . . . . . 96.23 543 98.04 99.35 1.55e-98 . . . . 5936 1 6 no REF NP_394733 . "thermosome beta chain [Thermoplasma acidophilum DSM 1728]" . . . . . 96.23 543 98.04 99.35 1.55e-98 . . . . 5936 1 7 no REF WP_010901684 . "thermosome subunit [Thermoplasma acidophilum]" . . . . . 96.23 543 98.04 99.35 1.55e-98 . . . . 5936 1 8 no SP P48425 . "RecName: Full=Thermosome subunit beta; AltName: Full=Chaperonin subunit beta; AltName: Full=Thermosome subunit 2 [Thermoplasma " . . . . . 96.23 543 98.04 99.35 1.55e-98 . . . . 5936 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'apical domain of the Thermosome' common 5936 1 C151S variant 5936 1 bADT abbreviation 5936 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 . 5936 1 2 . SER . 5936 1 3 . GLY . 5936 1 4 . ILE . 5936 1 5 . ILE . 5936 1 6 . VAL . 5936 1 7 . ASP . 5936 1 8 . LYS . 5936 1 9 . GLU . 5936 1 10 . LYS . 5936 1 11 . VAL . 5936 1 12 . HIS . 5936 1 13 . PRO . 5936 1 14 . GLY . 5936 1 15 . MET . 5936 1 16 . PRO . 5936 1 17 . ASP . 5936 1 18 . VAL . 5936 1 19 . VAL . 5936 1 20 . LYS . 5936 1 21 . ASP . 5936 1 22 . ALA . 5936 1 23 . LYS . 5936 1 24 . ILE . 5936 1 25 . ALA . 5936 1 26 . LEU . 5936 1 27 . LEU . 5936 1 28 . ASP . 5936 1 29 . ALA . 5936 1 30 . PRO . 5936 1 31 . LEU . 5936 1 32 . GLU . 5936 1 33 . ILE . 5936 1 34 . LYS . 5936 1 35 . LYS . 5936 1 36 . PRO . 5936 1 37 . GLU . 5936 1 38 . PHE . 5936 1 39 . ASP . 5936 1 40 . THR . 5936 1 41 . ASN . 5936 1 42 . LEU . 5936 1 43 . ARG . 5936 1 44 . ILE . 5936 1 45 . GLU . 5936 1 46 . ASP . 5936 1 47 . PRO . 5936 1 48 . SER . 5936 1 49 . MET . 5936 1 50 . ILE . 5936 1 51 . GLN . 5936 1 52 . LYS . 5936 1 53 . PHE . 5936 1 54 . LEU . 5936 1 55 . ALA . 5936 1 56 . GLN . 5936 1 57 . GLU . 5936 1 58 . GLU . 5936 1 59 . ASN . 5936 1 60 . MET . 5936 1 61 . LEU . 5936 1 62 . ARG . 5936 1 63 . GLU . 5936 1 64 . MET . 5936 1 65 . VAL . 5936 1 66 . ASP . 5936 1 67 . LYS . 5936 1 68 . ILE . 5936 1 69 . LYS . 5936 1 70 . SER . 5936 1 71 . VAL . 5936 1 72 . GLY . 5936 1 73 . ALA . 5936 1 74 . ASN . 5936 1 75 . VAL . 5936 1 76 . VAL . 5936 1 77 . ILE . 5936 1 78 . THR . 5936 1 79 . GLN . 5936 1 80 . LYS . 5936 1 81 . GLY . 5936 1 82 . ILE . 5936 1 83 . ASP . 5936 1 84 . ASP . 5936 1 85 . MET . 5936 1 86 . ALA . 5936 1 87 . GLN . 5936 1 88 . HIS . 5936 1 89 . TYR . 5936 1 90 . LEU . 5936 1 91 . SER . 5936 1 92 . ARG . 5936 1 93 . ALA . 5936 1 94 . GLY . 5936 1 95 . ILE . 5936 1 96 . TYR . 5936 1 97 . ALA . 5936 1 98 . VAL . 5936 1 99 . ARG . 5936 1 100 . ARG . 5936 1 101 . VAL . 5936 1 102 . LYS . 5936 1 103 . LYS . 5936 1 104 . SER . 5936 1 105 . ASP . 5936 1 106 . MET . 5936 1 107 . ASP . 5936 1 108 . LYS . 5936 1 109 . LEU . 5936 1 110 . ALA . 5936 1 111 . LYS . 5936 1 112 . ALA . 5936 1 113 . THR . 5936 1 114 . GLY . 5936 1 115 . ALA . 5936 1 116 . SER . 5936 1 117 . ILE . 5936 1 118 . VAL . 5936 1 119 . SER . 5936 1 120 . THR . 5936 1 121 . ILE . 5936 1 122 . ASP . 5936 1 123 . GLU . 5936 1 124 . ILE . 5936 1 125 . SER . 5936 1 126 . SER . 5936 1 127 . SER . 5936 1 128 . ASP . 5936 1 129 . LEU . 5936 1 130 . GLY . 5936 1 131 . THR . 5936 1 132 . ALA . 5936 1 133 . GLU . 5936 1 134 . ARG . 5936 1 135 . VAL . 5936 1 136 . GLU . 5936 1 137 . GLN . 5936 1 138 . VAL . 5936 1 139 . LYS . 5936 1 140 . VAL . 5936 1 141 . GLY . 5936 1 142 . GLU . 5936 1 143 . ASP . 5936 1 144 . TYR . 5936 1 145 . MET . 5936 1 146 . THR . 5936 1 147 . PHE . 5936 1 148 . VAL . 5936 1 149 . THR . 5936 1 150 . GLY . 5936 1 151 . SER . 5936 1 152 . LYS . 5936 1 153 . ASN . 5936 1 154 . HIS . 5936 1 155 . HIS . 5936 1 156 . HIS . 5936 1 157 . HIS . 5936 1 158 . HIS . 5936 1 159 . HIS . 5936 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 5936 1 . SER 2 2 5936 1 . GLY 3 3 5936 1 . ILE 4 4 5936 1 . ILE 5 5 5936 1 . VAL 6 6 5936 1 . ASP 7 7 5936 1 . LYS 8 8 5936 1 . GLU 9 9 5936 1 . LYS 10 10 5936 1 . VAL 11 11 5936 1 . HIS 12 12 5936 1 . PRO 13 13 5936 1 . GLY 14 14 5936 1 . MET 15 15 5936 1 . PRO 16 16 5936 1 . ASP 17 17 5936 1 . VAL 18 18 5936 1 . VAL 19 19 5936 1 . LYS 20 20 5936 1 . ASP 21 21 5936 1 . ALA 22 22 5936 1 . LYS 23 23 5936 1 . ILE 24 24 5936 1 . ALA 25 25 5936 1 . LEU 26 26 5936 1 . LEU 27 27 5936 1 . ASP 28 28 5936 1 . ALA 29 29 5936 1 . PRO 30 30 5936 1 . LEU 31 31 5936 1 . GLU 32 32 5936 1 . ILE 33 33 5936 1 . LYS 34 34 5936 1 . LYS 35 35 5936 1 . PRO 36 36 5936 1 . GLU 37 37 5936 1 . PHE 38 38 5936 1 . ASP 39 39 5936 1 . THR 40 40 5936 1 . ASN 41 41 5936 1 . LEU 42 42 5936 1 . ARG 43 43 5936 1 . ILE 44 44 5936 1 . GLU 45 45 5936 1 . ASP 46 46 5936 1 . PRO 47 47 5936 1 . SER 48 48 5936 1 . MET 49 49 5936 1 . ILE 50 50 5936 1 . GLN 51 51 5936 1 . LYS 52 52 5936 1 . PHE 53 53 5936 1 . LEU 54 54 5936 1 . ALA 55 55 5936 1 . GLN 56 56 5936 1 . GLU 57 57 5936 1 . GLU 58 58 5936 1 . ASN 59 59 5936 1 . MET 60 60 5936 1 . LEU 61 61 5936 1 . ARG 62 62 5936 1 . GLU 63 63 5936 1 . MET 64 64 5936 1 . VAL 65 65 5936 1 . ASP 66 66 5936 1 . LYS 67 67 5936 1 . ILE 68 68 5936 1 . LYS 69 69 5936 1 . SER 70 70 5936 1 . VAL 71 71 5936 1 . GLY 72 72 5936 1 . ALA 73 73 5936 1 . ASN 74 74 5936 1 . VAL 75 75 5936 1 . VAL 76 76 5936 1 . ILE 77 77 5936 1 . THR 78 78 5936 1 . GLN 79 79 5936 1 . LYS 80 80 5936 1 . GLY 81 81 5936 1 . ILE 82 82 5936 1 . ASP 83 83 5936 1 . ASP 84 84 5936 1 . MET 85 85 5936 1 . ALA 86 86 5936 1 . GLN 87 87 5936 1 . HIS 88 88 5936 1 . TYR 89 89 5936 1 . LEU 90 90 5936 1 . SER 91 91 5936 1 . ARG 92 92 5936 1 . ALA 93 93 5936 1 . GLY 94 94 5936 1 . ILE 95 95 5936 1 . TYR 96 96 5936 1 . ALA 97 97 5936 1 . VAL 98 98 5936 1 . ARG 99 99 5936 1 . ARG 100 100 5936 1 . VAL 101 101 5936 1 . LYS 102 102 5936 1 . LYS 103 103 5936 1 . SER 104 104 5936 1 . ASP 105 105 5936 1 . MET 106 106 5936 1 . ASP 107 107 5936 1 . LYS 108 108 5936 1 . LEU 109 109 5936 1 . ALA 110 110 5936 1 . LYS 111 111 5936 1 . ALA 112 112 5936 1 . THR 113 113 5936 1 . GLY 114 114 5936 1 . ALA 115 115 5936 1 . SER 116 116 5936 1 . ILE 117 117 5936 1 . VAL 118 118 5936 1 . SER 119 119 5936 1 . THR 120 120 5936 1 . ILE 121 121 5936 1 . ASP 122 122 5936 1 . GLU 123 123 5936 1 . ILE 124 124 5936 1 . SER 125 125 5936 1 . SER 126 126 5936 1 . SER 127 127 5936 1 . ASP 128 128 5936 1 . LEU 129 129 5936 1 . GLY 130 130 5936 1 . THR 131 131 5936 1 . ALA 132 132 5936 1 . GLU 133 133 5936 1 . ARG 134 134 5936 1 . VAL 135 135 5936 1 . GLU 136 136 5936 1 . GLN 137 137 5936 1 . VAL 138 138 5936 1 . LYS 139 139 5936 1 . VAL 140 140 5936 1 . GLY 141 141 5936 1 . GLU 142 142 5936 1 . ASP 143 143 5936 1 . TYR 144 144 5936 1 . MET 145 145 5936 1 . THR 146 146 5936 1 . PHE 147 147 5936 1 . VAL 148 148 5936 1 . THR 149 149 5936 1 . GLY 150 150 5936 1 . SER 151 151 5936 1 . LYS 152 152 5936 1 . ASN 153 153 5936 1 . HIS 154 154 5936 1 . HIS 155 155 5936 1 . HIS 156 156 5936 1 . HIS 157 157 5936 1 . HIS 158 158 5936 1 . HIS 159 159 5936 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 5936 _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 $bADT . 2303 . . 'Thermoplasma acidophilum' 'Thermoplasma acidophilum' . . Archaea . Thermoplasma acidophilum . . . . . . . . . . . . . . . . . . . . . 5936 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 5936 _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 $bADT . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5936 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_15N _Sample.Entry_ID 5936 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'apical domain of the Thermosome' [U-15N] . . 1 $bADT . . . 0.7 1.0 mM . . . . 5936 1 2 'Na Phosphate' . . . . . . . 25 . . mM . . . . 5936 1 3 NaCl . . . . . . . 100 . . mM . . . . 5936 1 stop_ save_ save_sample_CN _Sample.Sf_category sample _Sample.Sf_framecode sample_CN _Sample.Entry_ID 5936 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'apical domain of the Thermosome' '[U-13C; U-15N]' . . 1 $bADT . . . 0.7 1.0 mM . . . . 5936 2 2 'Na Phosphate' . . . . . . . 25 . . mM . . . . 5936 2 3 NaCl . . . . . . . 100 . . mM . . . . 5936 2 stop_ save_ ####################### # Sample conditions # ####################### save_general_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode general_condition _Sample_condition_list.Entry_ID 5936 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.8 0.2 n/a 5936 1 temperature 315 0.2 K 5936 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5936 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5936 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5936 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 750 . . . 5936 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5936 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 5936 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5936 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 5936 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 5936 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 5936 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_bADT_bb _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode bADT_bb _Assigned_chem_shift_list.Entry_ID 5936 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $general_condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_15N . 5936 1 . . 2 $sample_CN . 5936 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 3 3 GLY C C 13 172.1 0.1 . 1 . . . . . . . . 5936 1 2 . 1 1 3 3 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5936 1 3 . 1 1 4 4 ILE H H 1 8.48 0.01 . 1 . . . . . . . . 5936 1 4 . 1 1 4 4 ILE HA H 1 4.29 0.01 . 1 . . . . . . . . 5936 1 5 . 1 1 4 4 ILE C C 13 174.4 0.1 . 1 . . . . . . . . 5936 1 6 . 1 1 4 4 ILE CA C 13 59.9 0.1 . 1 . . . . . . . . 5936 1 7 . 1 1 4 4 ILE N N 15 120.87 0.1 . 1 . . . . . . . . 5936 1 8 . 1 1 5 5 ILE H H 1 8.42 0.01 . 1 . . . . . . . . 5936 1 9 . 1 1 5 5 ILE HA H 1 4.76 0.01 . 1 . . . . . . . . 5936 1 10 . 1 1 5 5 ILE C C 13 175.5 0.1 . 1 . . . . . . . . 5936 1 11 . 1 1 5 5 ILE CA C 13 59.6 0.1 . 1 . . . . . . . . 5936 1 12 . 1 1 5 5 ILE N N 15 126.3 0.1 . 1 . . . . . . . . 5936 1 13 . 1 1 6 6 VAL H H 1 9.42 0.01 . 1 . . . . . . . . 5936 1 14 . 1 1 6 6 VAL HA H 1 4.28 0.01 . 1 . . . . . . . . 5936 1 15 . 1 1 6 6 VAL C C 13 176.5 0.1 . 1 . . . . . . . . 5936 1 16 . 1 1 6 6 VAL CA C 13 60.5 0.1 . 1 . . . . . . . . 5936 1 17 . 1 1 6 6 VAL N N 15 128.7 0.1 . 1 . . . . . . . . 5936 1 18 . 1 1 7 7 ASP H H 1 8.89 0.01 . 1 . . . . . . . . 5936 1 19 . 1 1 7 7 ASP HA H 1 4.67 0.01 . 1 . . . . . . . . 5936 1 20 . 1 1 7 7 ASP C C 13 175.9 0.1 . 1 . . . . . . . . 5936 1 21 . 1 1 7 7 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5936 1 22 . 1 1 7 7 ASP N N 15 132 0.1 . 1 . . . . . . . . 5936 1 23 . 1 1 8 8 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 5936 1 24 . 1 1 8 8 LYS HA H 1 4.74 0.01 . 1 . . . . . . . . 5936 1 25 . 1 1 8 8 LYS C C 13 174.5 0.1 . 1 . . . . . . . . 5936 1 26 . 1 1 8 8 LYS CA C 13 53.8 0.1 . 1 . . . . . . . . 5936 1 27 . 1 1 8 8 LYS N N 15 120.65 0.1 . 1 . . . . . . . . 5936 1 28 . 1 1 9 9 GLU H H 1 8.9 0.01 . 1 . . . . . . . . 5936 1 29 . 1 1 9 9 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 5936 1 30 . 1 1 9 9 GLU CA C 13 53.8 0.1 . 1 . . . . . . . . 5936 1 31 . 1 1 9 9 GLU N N 15 123.3 0.1 . 1 . . . . . . . . 5936 1 32 . 1 1 10 10 LYS HA H 1 4 0.01 . 1 . . . . . . . . 5936 1 33 . 1 1 10 10 LYS C C 13 179.06 0.1 . 1 . . . . . . . . 5936 1 34 . 1 1 10 10 LYS CA C 13 55.7 0.1 . 1 . . . . . . . . 5936 1 35 . 1 1 11 11 VAL H H 1 8.02 0.01 . 1 . . . . . . . . 5936 1 36 . 1 1 11 11 VAL HA H 1 3.88 0.01 . 1 . . . . . . . . 5936 1 37 . 1 1 11 11 VAL C C 13 173.5 0.1 . 1 . . . . . . . . 5936 1 38 . 1 1 11 11 VAL CA C 13 64 0.1 . 1 . . . . . . . . 5936 1 39 . 1 1 11 11 VAL N N 15 118.15 0.1 . 1 . . . . . . . . 5936 1 40 . 1 1 12 12 HIS H H 1 7.49 0.01 . 1 . . . . . . . . 5936 1 41 . 1 1 12 12 HIS HA H 1 5.13 0.01 . 1 . . . . . . . . 5936 1 42 . 1 1 12 12 HIS CA C 13 53.5 0.1 . 1 . . . . . . . . 5936 1 43 . 1 1 12 12 HIS N N 15 121.3 0.1 . 1 . . . . . . . . 5936 1 44 . 1 1 14 14 GLY C C 13 173 0.1 . 1 . . . . . . . . 5936 1 45 . 1 1 14 14 GLY CA C 13 45 0.1 . 1 . . . . . . . . 5936 1 46 . 1 1 15 15 MET H H 1 7.7 0.01 . 1 . . . . . . . . 5936 1 47 . 1 1 15 15 MET CA C 13 53.5 0.1 . 1 . . . . . . . . 5936 1 48 . 1 1 15 15 MET N N 15 129.2 0.1 . 1 . . . . . . . . 5936 1 49 . 1 1 16 16 PRO HA H 1 4.45 0.01 . 1 . . . . . . . . 5936 1 50 . 1 1 16 16 PRO C C 13 174.7 0.1 . 1 . . . . . . . . 5936 1 51 . 1 1 16 16 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 5936 1 52 . 1 1 17 17 ASP H H 1 8.15 0.01 . 1 . . . . . . . . 5936 1 53 . 1 1 17 17 ASP HA H 1 4.78 0.01 . 1 . . . . . . . . 5936 1 54 . 1 1 17 17 ASP C C 13 175.8 0.1 . 1 . . . . . . . . 5936 1 55 . 1 1 17 17 ASP CA C 13 55.9 0.1 . 1 . . . . . . . . 5936 1 56 . 1 1 17 17 ASP N N 15 115.6 0.1 . 1 . . . . . . . . 5936 1 57 . 1 1 18 18 VAL H H 1 7.4 0.01 . 1 . . . . . . . . 5936 1 58 . 1 1 18 18 VAL HA H 1 4.71 0.01 . 1 . . . . . . . . 5936 1 59 . 1 1 18 18 VAL C C 13 174.5 0.1 . 1 . . . . . . . . 5936 1 60 . 1 1 18 18 VAL CA C 13 60.5 0.1 . 1 . . . . . . . . 5936 1 61 . 1 1 18 18 VAL N N 15 114.3 0.1 . 1 . . . . . . . . 5936 1 62 . 1 1 19 19 VAL H H 1 9.29 0.01 . 1 . . . . . . . . 5936 1 63 . 1 1 19 19 VAL HA H 1 4.1 0.01 . 1 . . . . . . . . 5936 1 64 . 1 1 19 19 VAL C C 13 175 0.1 . 1 . . . . . . . . 5936 1 65 . 1 1 19 19 VAL CA C 13 61.4 0.1 . 1 . . . . . . . . 5936 1 66 . 1 1 19 19 VAL N N 15 127.9 0.1 . 1 . . . . . . . . 5936 1 67 . 1 1 20 20 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 5936 1 68 . 1 1 20 20 LYS HA H 1 4.69 0.01 . 1 . . . . . . . . 5936 1 69 . 1 1 20 20 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 5936 1 70 . 1 1 20 20 LYS CA C 13 55.1 0.1 . 1 . . . . . . . . 5936 1 71 . 1 1 20 20 LYS N N 15 126.8 0.1 . 1 . . . . . . . . 5936 1 72 . 1 1 21 21 ASP H H 1 8.56 0.01 . 1 . . . . . . . . 5936 1 73 . 1 1 21 21 ASP HA H 1 4.23 0.01 . 1 . . . . . . . . 5936 1 74 . 1 1 21 21 ASP C C 13 175.6 0.1 . 1 . . . . . . . . 5936 1 75 . 1 1 21 21 ASP CA C 13 55.6 0.1 . 1 . . . . . . . . 5936 1 76 . 1 1 21 21 ASP N N 15 122 0.1 . 1 . . . . . . . . 5936 1 77 . 1 1 22 22 ALA H H 1 7.53 0.01 . 1 . . . . . . . . 5936 1 78 . 1 1 22 22 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 5936 1 79 . 1 1 22 22 ALA C C 13 177.4 0.1 . 1 . . . . . . . . 5936 1 80 . 1 1 22 22 ALA CA C 13 51.6 0.1 . 1 . . . . . . . . 5936 1 81 . 1 1 22 22 ALA N N 15 121.4 0.1 . 1 . . . . . . . . 5936 1 82 . 1 1 23 23 LYS H H 1 9.43 0.01 . 1 . . . . . . . . 5936 1 83 . 1 1 23 23 LYS HA H 1 5.16 0.01 . 1 . . . . . . . . 5936 1 84 . 1 1 23 23 LYS C C 13 176.2 0.1 . 1 . . . . . . . . 5936 1 85 . 1 1 23 23 LYS CA C 13 54.3 0.1 . 1 . . . . . . . . 5936 1 86 . 1 1 23 23 LYS N N 15 125.7 0.1 . 1 . . . . . . . . 5936 1 87 . 1 1 24 24 ILE H H 1 8.8 0.01 . 1 . . . . . . . . 5936 1 88 . 1 1 24 24 ILE HA H 1 4.4 0.01 . 1 . . . . . . . . 5936 1 89 . 1 1 24 24 ILE C C 13 174.5 0.1 . 1 . . . . . . . . 5936 1 90 . 1 1 24 24 ILE CA C 13 60.9 0.1 . 1 . . . . . . . . 5936 1 91 . 1 1 24 24 ILE N N 15 122.8 0.1 . 1 . . . . . . . . 5936 1 92 . 1 1 25 25 ALA H H 1 8.98 0.01 . 1 . . . . . . . . 5936 1 93 . 1 1 25 25 ALA HA H 1 4.8 0.01 . 1 . . . . . . . . 5936 1 94 . 1 1 25 25 ALA C C 13 174.8 0.1 . 1 . . . . . . . . 5936 1 95 . 1 1 25 25 ALA CA C 13 49.7 0.1 . 1 . . . . . . . . 5936 1 96 . 1 1 25 25 ALA N N 15 130.05 0.1 . 1 . . . . . . . . 5936 1 97 . 1 1 26 26 LEU H H 1 9.57 0.01 . 1 . . . . . . . . 5936 1 98 . 1 1 26 26 LEU HA H 1 5.07 0.01 . 1 . . . . . . . . 5936 1 99 . 1 1 26 26 LEU C C 13 174.9 0.1 . 1 . . . . . . . . 5936 1 100 . 1 1 26 26 LEU CA C 13 52.5 0.1 . 1 . . . . . . . . 5936 1 101 . 1 1 26 26 LEU N N 15 125 0.1 . 1 . . . . . . . . 5936 1 102 . 1 1 27 27 LEU H H 1 8.89 0.01 . 1 . . . . . . . . 5936 1 103 . 1 1 27 27 LEU HA H 1 5.37 0.01 . 1 . . . . . . . . 5936 1 104 . 1 1 27 27 LEU C C 13 176 0.1 . 1 . . . . . . . . 5936 1 105 . 1 1 27 27 LEU CA C 13 52.3 0.1 . 1 . . . . . . . . 5936 1 106 . 1 1 27 27 LEU N N 15 120.43 0.1 . 1 . . . . . . . . 5936 1 107 . 1 1 28 28 ASP H H 1 8.32 0.01 . 1 . . . . . . . . 5936 1 108 . 1 1 28 28 ASP HA H 1 4.81 0.01 . 1 . . . . . . . . 5936 1 109 . 1 1 28 28 ASP C C 13 174.1 0.1 . 1 . . . . . . . . 5936 1 110 . 1 1 28 28 ASP CA C 13 52 0.1 . 1 . . . . . . . . 5936 1 111 . 1 1 28 28 ASP N N 15 120.4 0.1 . 1 . . . . . . . . 5936 1 112 . 1 1 29 29 ALA H H 1 6.36 0.01 . 1 . . . . . . . . 5936 1 113 . 1 1 29 29 ALA HA H 1 4.86 0.01 . 1 . . . . . . . . 5936 1 114 . 1 1 29 29 ALA CA C 13 49.3 0.1 . 1 . . . . . . . . 5936 1 115 . 1 1 29 29 ALA N N 15 118 0.1 . 1 . . . . . . . . 5936 1 116 . 1 1 30 30 PRO HA H 1 4.39 0.01 . 1 . . . . . . . . 5936 1 117 . 1 1 30 30 PRO C C 13 176.1 0.1 . 1 . . . . . . . . 5936 1 118 . 1 1 30 30 PRO CA C 13 61.4 0.1 . 1 . . . . . . . . 5936 1 119 . 1 1 31 31 LEU H H 1 8.13 0.01 . 1 . . . . . . . . 5936 1 120 . 1 1 31 31 LEU HA H 1 4.55 0.01 . 1 . . . . . . . . 5936 1 121 . 1 1 31 31 LEU C C 13 173.2 0.1 . 1 . . . . . . . . 5936 1 122 . 1 1 31 31 LEU CA C 13 53.6 0.1 . 1 . . . . . . . . 5936 1 123 . 1 1 31 31 LEU N N 15 122.2 0.1 . 1 . . . . . . . . 5936 1 124 . 1 1 32 32 GLU H H 1 7.44 0.01 . 1 . . . . . . . . 5936 1 125 . 1 1 32 32 GLU HA H 1 4.67 0.01 . 1 . . . . . . . . 5936 1 126 . 1 1 32 32 GLU C C 13 175.4 0.1 . 1 . . . . . . . . 5936 1 127 . 1 1 32 32 GLU CA C 13 53.4 0.1 . 1 . . . . . . . . 5936 1 128 . 1 1 32 32 GLU N N 15 116.3 0.1 . 1 . . . . . . . . 5936 1 129 . 1 1 33 33 ILE H H 1 9.17 0.01 . 1 . . . . . . . . 5936 1 130 . 1 1 33 33 ILE HA H 1 4.2 0.01 . 1 . . . . . . . . 5936 1 131 . 1 1 33 33 ILE C C 13 176.4 0.1 . 1 . . . . . . . . 5936 1 132 . 1 1 33 33 ILE CA C 13 60.5 0.1 . 1 . . . . . . . . 5936 1 133 . 1 1 33 33 ILE N N 15 122 0.1 . 1 . . . . . . . . 5936 1 134 . 1 1 34 34 LYS H H 1 8.53 0.01 . 1 . . . . . . . . 5936 1 135 . 1 1 34 34 LYS HA H 1 4.26 0.01 . 1 . . . . . . . . 5936 1 136 . 1 1 34 34 LYS C C 13 175.6 0.1 . 1 . . . . . . . . 5936 1 137 . 1 1 34 34 LYS CA C 13 56 0.1 . 1 . . . . . . . . 5936 1 138 . 1 1 34 34 LYS N N 15 127.65 0.1 . 1 . . . . . . . . 5936 1 139 . 1 1 35 35 LYS H H 1 7.97 0.01 . 1 . . . . . . . . 5936 1 140 . 1 1 35 35 LYS HA H 1 4.58 0.01 . 1 . . . . . . . . 5936 1 141 . 1 1 35 35 LYS CA C 13 53.7 0.1 . 1 . . . . . . . . 5936 1 142 . 1 1 35 35 LYS N N 15 121.7 0.1 . 1 . . . . . . . . 5936 1 143 . 1 1 39 39 ASP HA H 1 4.25 0.01 . 1 . . . . . . . . 5936 1 144 . 1 1 39 39 ASP C C 13 175.7 0.1 . 1 . . . . . . . . 5936 1 145 . 1 1 39 39 ASP CA C 13 60.8 0.1 . 1 . . . . . . . . 5936 1 146 . 1 1 40 40 THR H H 1 7.71 0.01 . 1 . . . . . . . . 5936 1 147 . 1 1 40 40 THR HA H 1 4.15 0.01 . 1 . . . . . . . . 5936 1 148 . 1 1 40 40 THR CA C 13 62.8 0.1 . 1 . . . . . . . . 5936 1 149 . 1 1 40 40 THR N N 15 123.8 0.1 . 1 . . . . . . . . 5936 1 150 . 1 1 43 43 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 5936 1 151 . 1 1 43 43 ARG C C 13 178.7 0.1 . 1 . . . . . . . . 5936 1 152 . 1 1 43 43 ARG CA C 13 57.3 0.1 . 1 . . . . . . . . 5936 1 153 . 1 1 44 44 ILE H H 1 7.71 0.01 . 1 . . . . . . . . 5936 1 154 . 1 1 44 44 ILE HA H 1 3.85 0.01 . 1 . . . . . . . . 5936 1 155 . 1 1 44 44 ILE C C 13 177.6 0.1 . 1 . . . . . . . . 5936 1 156 . 1 1 44 44 ILE CA C 13 63.6 0.1 . 1 . . . . . . . . 5936 1 157 . 1 1 44 44 ILE N N 15 119.99 0.1 . 1 . . . . . . . . 5936 1 158 . 1 1 45 45 GLU H H 1 7.85 0.01 . 1 . . . . . . . . 5936 1 159 . 1 1 45 45 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 5936 1 160 . 1 1 45 45 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 5936 1 161 . 1 1 45 45 GLU N N 15 118.7 0.1 . 1 . . . . . . . . 5936 1 162 . 1 1 47 47 PRO HA H 1 4.48 0.01 . 1 . . . . . . . . 5936 1 163 . 1 1 47 47 PRO C C 13 176.4 0.1 . 1 . . . . . . . . 5936 1 164 . 1 1 47 47 PRO CA C 13 63.4 0.1 . 1 . . . . . . . . 5936 1 165 . 1 1 48 48 SER H H 1 7.92 0.01 . 1 . . . . . . . . 5936 1 166 . 1 1 48 48 SER CA C 13 60.1 0.1 . 1 . . . . . . . . 5936 1 167 . 1 1 48 48 SER N N 15 121.7 0.1 . 1 . . . . . . . . 5936 1 168 . 1 1 52 52 LYS HA H 1 4.11 0.01 . 1 . . . . . . . . 5936 1 169 . 1 1 52 52 LYS C C 13 178.9 0.1 . 1 . . . . . . . . 5936 1 170 . 1 1 52 52 LYS CA C 13 59.2 0.1 . 1 . . . . . . . . 5936 1 171 . 1 1 53 53 PHE H H 1 8 0.01 . 1 . . . . . . . . 5936 1 172 . 1 1 53 53 PHE HA H 1 4.36 0.01 . 1 . . . . . . . . 5936 1 173 . 1 1 53 53 PHE C C 13 178 0.1 . 1 . . . . . . . . 5936 1 174 . 1 1 53 53 PHE CA C 13 60.5 0.1 . 1 . . . . . . . . 5936 1 175 . 1 1 53 53 PHE N N 15 120.9 0.1 . 1 . . . . . . . . 5936 1 176 . 1 1 54 54 LEU H H 1 8.52 0.01 . 1 . . . . . . . . 5936 1 177 . 1 1 54 54 LEU HA H 1 4.02 0.01 . 1 . . . . . . . . 5936 1 178 . 1 1 54 54 LEU C C 13 179.5 0.1 . 1 . . . . . . . . 5936 1 179 . 1 1 54 54 LEU CA C 13 57.4 0.1 . 1 . . . . . . . . 5936 1 180 . 1 1 54 54 LEU N N 15 119.9 0.1 . 1 . . . . . . . . 5936 1 181 . 1 1 55 55 ALA H H 1 8.08 0.01 . 1 . . . . . . . . 5936 1 182 . 1 1 55 55 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 5936 1 183 . 1 1 55 55 ALA C C 13 180.5 0.1 . 1 . . . . . . . . 5936 1 184 . 1 1 55 55 ALA CA C 13 54.7 0.1 . 1 . . . . . . . . 5936 1 185 . 1 1 55 55 ALA N N 15 122 0.1 . 1 . . . . . . . . 5936 1 186 . 1 1 56 56 GLN H H 1 7.85 0.01 . 1 . . . . . . . . 5936 1 187 . 1 1 56 56 GLN HA H 1 4.16 0.01 . 1 . . . . . . . . 5936 1 188 . 1 1 56 56 GLN C C 13 179 0.1 . 1 . . . . . . . . 5936 1 189 . 1 1 56 56 GLN CA C 13 58.2 0.1 . 1 . . . . . . . . 5936 1 190 . 1 1 56 56 GLN N N 15 118.5 0.1 . 1 . . . . . . . . 5936 1 191 . 1 1 57 57 GLU H H 1 8.17 0.01 . 1 . . . . . . . . 5936 1 192 . 1 1 57 57 GLU HA H 1 3.95 0.01 . 1 . . . . . . . . 5936 1 193 . 1 1 57 57 GLU C C 13 179.4 0.1 . 1 . . . . . . . . 5936 1 194 . 1 1 57 57 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . 5936 1 195 . 1 1 57 57 GLU N N 15 120 0.1 . 1 . . . . . . . . 5936 1 196 . 1 1 58 58 GLU H H 1 8.42 0.01 . 1 . . . . . . . . 5936 1 197 . 1 1 58 58 GLU CA C 13 60 0.1 . 1 . . . . . . . . 5936 1 198 . 1 1 58 58 GLU N N 15 120.87 0.1 . 1 . . . . . . . . 5936 1 199 . 1 1 59 59 ASN HA H 1 4.3 0.01 . 1 . . . . . . . . 5936 1 200 . 1 1 59 59 ASN C C 13 177.6 0.1 . 1 . . . . . . . . 5936 1 201 . 1 1 59 59 ASN CA C 13 56 0.1 . 1 . . . . . . . . 5936 1 202 . 1 1 60 60 MET H H 1 8.02 0.01 . 1 . . . . . . . . 5936 1 203 . 1 1 60 60 MET C C 13 178.7 0.1 . 1 . . . . . . . . 5936 1 204 . 1 1 60 60 MET CA C 13 57.9 0.1 . 1 . . . . . . . . 5936 1 205 . 1 1 60 60 MET N N 15 118.7 0.1 . 1 . . . . . . . . 5936 1 206 . 1 1 61 61 LEU H H 1 7.94 0.01 . 1 . . . . . . . . 5936 1 207 . 1 1 61 61 LEU HA H 1 4.11 0.01 . 1 . . . . . . . . 5936 1 208 . 1 1 61 61 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 5936 1 209 . 1 1 61 61 LEU CA C 13 57.6 0.1 . 1 . . . . . . . . 5936 1 210 . 1 1 61 61 LEU N N 15 121.5 0.1 . 1 . . . . . . . . 5936 1 211 . 1 1 62 62 ARG H H 1 8.09 0.01 . 1 . . . . . . . . 5936 1 212 . 1 1 62 62 ARG HA H 1 3.23 0.01 . 1 . . . . . . . . 5936 1 213 . 1 1 62 62 ARG C C 13 179.1 0.1 . 1 . . . . . . . . 5936 1 214 . 1 1 62 62 ARG CA C 13 60 0.1 . 1 . . . . . . . . 5936 1 215 . 1 1 62 62 ARG N N 15 119.3 0.1 . 1 . . . . . . . . 5936 1 216 . 1 1 63 63 GLU H H 1 7.98 0.01 . 1 . . . . . . . . 5936 1 217 . 1 1 63 63 GLU HA H 1 3.97 0.01 . 1 . . . . . . . . 5936 1 218 . 1 1 63 63 GLU C C 13 179.6 0.1 . 1 . . . . . . . . 5936 1 219 . 1 1 63 63 GLU CA C 13 59.2 0.1 . 1 . . . . . . . . 5936 1 220 . 1 1 63 63 GLU N N 15 118 0.1 . 1 . . . . . . . . 5936 1 221 . 1 1 64 64 MET H H 1 8.1 0.01 . 1 . . . . . . . . 5936 1 222 . 1 1 64 64 MET HA H 1 4.08 0.01 . 1 . . . . . . . . 5936 1 223 . 1 1 64 64 MET C C 13 178.3 0.1 . 1 . . . . . . . . 5936 1 224 . 1 1 64 64 MET CA C 13 59.2 0.1 . 1 . . . . . . . . 5936 1 225 . 1 1 64 64 MET N N 15 120.76 0.1 . 1 . . . . . . . . 5936 1 226 . 1 1 65 65 VAL H H 1 7.98 0.01 . 1 . . . . . . . . 5936 1 227 . 1 1 65 65 VAL HA H 1 3.36 0.01 . 1 . . . . . . . . 5936 1 228 . 1 1 65 65 VAL C C 13 177.5 0.1 . 1 . . . . . . . . 5936 1 229 . 1 1 65 65 VAL CA C 13 67.5 0.1 . 1 . . . . . . . . 5936 1 230 . 1 1 65 65 VAL N N 15 118.9 0.1 . 1 . . . . . . . . 5936 1 231 . 1 1 66 66 ASP H H 1 8.33 0.01 . 1 . . . . . . . . 5936 1 232 . 1 1 66 66 ASP HA H 1 4.38 0.01 . 1 . . . . . . . . 5936 1 233 . 1 1 66 66 ASP C C 13 179.6 0.1 . 1 . . . . . . . . 5936 1 234 . 1 1 66 66 ASP CA C 13 57.4 0.1 . 1 . . . . . . . . 5936 1 235 . 1 1 66 66 ASP N N 15 120.1 0.1 . 1 . . . . . . . . 5936 1 236 . 1 1 67 67 LYS H H 1 8.16 0.01 . 1 . . . . . . . . 5936 1 237 . 1 1 67 67 LYS HA H 1 4.04 0.01 . 1 . . . . . . . . 5936 1 238 . 1 1 67 67 LYS C C 13 179.2 0.1 . 1 . . . . . . . . 5936 1 239 . 1 1 67 67 LYS CA C 13 58.7 0.1 . 1 . . . . . . . . 5936 1 240 . 1 1 67 67 LYS N N 15 122.8 0.1 . 1 . . . . . . . . 5936 1 241 . 1 1 68 68 ILE H H 1 7.69 0.01 . 1 . . . . . . . . 5936 1 242 . 1 1 68 68 ILE HA H 1 3.47 0.01 . 1 . . . . . . . . 5936 1 243 . 1 1 68 68 ILE C C 13 177.3 0.1 . 1 . . . . . . . . 5936 1 244 . 1 1 68 68 ILE CA C 13 65.4 0.1 . 1 . . . . . . . . 5936 1 245 . 1 1 68 68 ILE N N 15 120.43 0.1 . 1 . . . . . . . . 5936 1 246 . 1 1 69 69 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 5936 1 247 . 1 1 69 69 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 5936 1 248 . 1 1 69 69 LYS C C 13 179.9 0.1 . 1 . . . . . . . . 5936 1 249 . 1 1 69 69 LYS CA C 13 58.7 0.1 . 1 . . . . . . . . 5936 1 250 . 1 1 69 69 LYS N N 15 118 0.1 . 1 . . . . . . . . 5936 1 251 . 1 1 70 70 SER H H 1 8.66 0.01 . 1 . . . . . . . . 5936 1 252 . 1 1 70 70 SER HA H 1 4.21 0.01 . 1 . . . . . . . . 5936 1 253 . 1 1 70 70 SER C C 13 176.7 0.1 . 1 . . . . . . . . 5936 1 254 . 1 1 70 70 SER CA C 13 61.3 0.1 . 1 . . . . . . . . 5936 1 255 . 1 1 70 70 SER N N 15 116.7 0.1 . 1 . . . . . . . . 5936 1 256 . 1 1 71 71 VAL H H 1 7.46 0.01 . 1 . . . . . . . . 5936 1 257 . 1 1 71 71 VAL HA H 1 4.42 0.01 . 1 . . . . . . . . 5936 1 258 . 1 1 71 71 VAL C C 13 176.1 0.1 . 1 . . . . . . . . 5936 1 259 . 1 1 71 71 VAL CA C 13 61.6 0.1 . 1 . . . . . . . . 5936 1 260 . 1 1 71 71 VAL N N 15 113.65 0.1 . 1 . . . . . . . . 5936 1 261 . 1 1 72 72 GLY H H 1 7.75 0.01 . 1 . . . . . . . . 5936 1 262 . 1 1 72 72 GLY HA2 H 1 4.63 0.01 . 2 . . . . . . . . 5936 1 263 . 1 1 72 72 GLY C C 13 174.4 0.1 . 1 . . . . . . . . 5936 1 264 . 1 1 72 72 GLY CA C 13 44.5 0.1 . 1 . . . . . . . . 5936 1 265 . 1 1 72 72 GLY N N 15 106.65 0.1 . 1 . . . . . . . . 5936 1 266 . 1 1 73 73 ALA H H 1 7 0.01 . 1 . . . . . . . . 5936 1 267 . 1 1 73 73 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 5936 1 268 . 1 1 73 73 ALA C C 13 177.1 0.1 . 1 . . . . . . . . 5936 1 269 . 1 1 73 73 ALA CA C 13 52.3 0.1 . 1 . . . . . . . . 5936 1 270 . 1 1 73 73 ALA N N 15 120.65 0.1 . 1 . . . . . . . . 5936 1 271 . 1 1 74 74 ASN H H 1 8.93 0.01 . 1 . . . . . . . . 5936 1 272 . 1 1 74 74 ASN HA H 1 4.72 0.01 . 1 . . . . . . . . 5936 1 273 . 1 1 74 74 ASN CA C 13 52.1 0.1 . 1 . . . . . . . . 5936 1 274 . 1 1 74 74 ASN N N 15 116.1 0.1 . 1 . . . . . . . . 5936 1 275 . 1 1 75 75 VAL H H 1 7.95 0.01 . 1 . . . . . . . . 5936 1 276 . 1 1 75 75 VAL HA H 1 5.42 0.01 . 1 . . . . . . . . 5936 1 277 . 1 1 75 75 VAL C C 13 174.8 0.1 . 1 . . . . . . . . 5936 1 278 . 1 1 75 75 VAL CA C 13 60.5 0.1 . 1 . . . . . . . . 5936 1 279 . 1 1 75 75 VAL N N 15 120.65 0.1 . 1 . . . . . . . . 5936 1 280 . 1 1 76 76 VAL H H 1 9.21 0.01 . 1 . . . . . . . . 5936 1 281 . 1 1 76 76 VAL HA H 1 4.9 0.01 . 1 . . . . . . . . 5936 1 282 . 1 1 76 76 VAL C C 13 173.3 0.1 . 1 . . . . . . . . 5936 1 283 . 1 1 76 76 VAL CA C 13 60.2 0.1 . 1 . . . . . . . . 5936 1 284 . 1 1 76 76 VAL N N 15 127 0.1 . 1 . . . . . . . . 5936 1 285 . 1 1 77 77 ILE H H 1 8.88 0.01 . 1 . . . . . . . . 5936 1 286 . 1 1 77 77 ILE HA H 1 4.69 0.01 . 1 . . . . . . . . 5936 1 287 . 1 1 77 77 ILE C C 13 174.4 0.1 . 1 . . . . . . . . 5936 1 288 . 1 1 77 77 ILE CA C 13 59.6 0.1 . 1 . . . . . . . . 5936 1 289 . 1 1 77 77 ILE N N 15 127.65 0.1 . 1 . . . . . . . . 5936 1 290 . 1 1 78 78 THR H H 1 8.22 0.01 . 1 . . . . . . . . 5936 1 291 . 1 1 78 78 THR HA H 1 6.11 0.01 . 1 . . . . . . . . 5936 1 292 . 1 1 78 78 THR C C 13 172.5 0.1 . 1 . . . . . . . . 5936 1 293 . 1 1 78 78 THR CA C 13 55.6 0.1 . 1 . . . . . . . . 5936 1 294 . 1 1 78 78 THR N N 15 118.2 0.1 . 1 . . . . . . . . 5936 1 295 . 1 1 79 79 GLN H H 1 7.68 0.01 . 1 . . . . . . . . 5936 1 296 . 1 1 79 79 GLN HA H 1 4.97 0.01 . 1 . . . . . . . . 5936 1 297 . 1 1 79 79 GLN C C 13 177.5 0.1 . 1 . . . . . . . . 5936 1 298 . 1 1 79 79 GLN CA C 13 56 0.1 . 1 . . . . . . . . 5936 1 299 . 1 1 79 79 GLN N N 15 124.8 0.1 . 1 . . . . . . . . 5936 1 300 . 1 1 80 80 LYS H H 1 8.28 0.01 . 1 . . . . . . . . 5936 1 301 . 1 1 80 80 LYS HA H 1 4.57 0.01 . 1 . . . . . . . . 5936 1 302 . 1 1 80 80 LYS C C 13 174.3 0.1 . 1 . . . . . . . . 5936 1 303 . 1 1 80 80 LYS CA C 13 52.9 0.1 . 1 . . . . . . . . 5936 1 304 . 1 1 80 80 LYS N N 15 119.1 0.1 . 1 . . . . . . . . 5936 1 305 . 1 1 81 81 GLY H H 1 8.09 0.01 . 1 . . . . . . . . 5936 1 306 . 1 1 81 81 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 5936 1 307 . 1 1 81 81 GLY N N 15 105.56 0.1 . 1 . . . . . . . . 5936 1 308 . 1 1 82 82 ILE HA H 1 4.83 0.01 . 1 . . . . . . . . 5936 1 309 . 1 1 82 82 ILE C C 13 176.2 0.1 . 1 . . . . . . . . 5936 1 310 . 1 1 82 82 ILE CA C 13 61.1 0.1 . 1 . . . . . . . . 5936 1 311 . 1 1 83 83 ASP H H 1 8.42 0.01 . 1 . . . . . . . . 5936 1 312 . 1 1 83 83 ASP HA H 1 4.8 0.01 . 1 . . . . . . . . 5936 1 313 . 1 1 83 83 ASP CA C 13 53.3 0.1 . 1 . . . . . . . . 5936 1 314 . 1 1 83 83 ASP N N 15 128.1 0.1 . 1 . . . . . . . . 5936 1 315 . 1 1 84 84 ASP HA H 1 4.19 0.01 . 1 . . . . . . . . 5936 1 316 . 1 1 84 84 ASP C C 13 178.9 0.1 . 1 . . . . . . . . 5936 1 317 . 1 1 84 84 ASP CA C 13 58 0.1 . 1 . . . . . . . . 5936 1 318 . 1 1 85 85 MET H H 1 8.22 0.01 . 1 . . . . . . . . 5936 1 319 . 1 1 85 85 MET HA H 1 4.26 0.01 . 1 . . . . . . . . 5936 1 320 . 1 1 85 85 MET C C 13 178.4 0.1 . 1 . . . . . . . . 5936 1 321 . 1 1 85 85 MET CA C 13 57.6 0.1 . 1 . . . . . . . . 5936 1 322 . 1 1 85 85 MET N N 15 119.8 0.1 . 1 . . . . . . . . 5936 1 323 . 1 1 86 86 ALA H H 1 8.73 0.01 . 1 . . . . . . . . 5936 1 324 . 1 1 86 86 ALA HA H 1 3.9 0.01 . 1 . . . . . . . . 5936 1 325 . 1 1 86 86 ALA C C 13 180 0.1 . 1 . . . . . . . . 5936 1 326 . 1 1 86 86 ALA CA C 13 55.7 0.1 . 1 . . . . . . . . 5936 1 327 . 1 1 86 86 ALA N N 15 122.4 0.1 . 1 . . . . . . . . 5936 1 328 . 1 1 87 87 GLN H H 1 8.82 0.01 . 1 . . . . . . . . 5936 1 329 . 1 1 87 87 GLN HA H 1 3.49 0.01 . 1 . . . . . . . . 5936 1 330 . 1 1 87 87 GLN C C 13 177.7 0.1 . 1 . . . . . . . . 5936 1 331 . 1 1 87 87 GLN CA C 13 59.5 0.1 . 1 . . . . . . . . 5936 1 332 . 1 1 87 87 GLN N N 15 116.5 0.1 . 1 . . . . . . . . 5936 1 333 . 1 1 88 88 HIS H H 1 7.49 0.01 . 1 . . . . . . . . 5936 1 334 . 1 1 88 88 HIS HA H 1 3.85 0.01 . 1 . . . . . . . . 5936 1 335 . 1 1 88 88 HIS C C 13 177.8 0.1 . 1 . . . . . . . . 5936 1 336 . 1 1 88 88 HIS CA C 13 59.6 0.1 . 1 . . . . . . . . 5936 1 337 . 1 1 88 88 HIS N N 15 118.7 0.1 . 1 . . . . . . . . 5936 1 338 . 1 1 89 89 TYR H H 1 7.92 0.01 . 1 . . . . . . . . 5936 1 339 . 1 1 89 89 TYR HA H 1 4.01 0.01 . 1 . . . . . . . . 5936 1 340 . 1 1 89 89 TYR C C 13 179.7 0.1 . 1 . . . . . . . . 5936 1 341 . 1 1 89 89 TYR CA C 13 61.8 0.1 . 1 . . . . . . . . 5936 1 342 . 1 1 89 89 TYR N N 15 117.4 0.1 . 1 . . . . . . . . 5936 1 343 . 1 1 90 90 LEU H H 1 8.93 0.01 . 1 . . . . . . . . 5936 1 344 . 1 1 90 90 LEU HA H 1 3.85 0.01 . 1 . . . . . . . . 5936 1 345 . 1 1 90 90 LEU C C 13 178 0.1 . 1 . . . . . . . . 5936 1 346 . 1 1 90 90 LEU CA C 13 58 0.1 . 1 . . . . . . . . 5936 1 347 . 1 1 90 90 LEU N N 15 120.54 0.1 . 1 . . . . . . . . 5936 1 348 . 1 1 91 91 SER H H 1 8.04 0.01 . 1 . . . . . . . . 5936 1 349 . 1 1 91 91 SER HA H 1 3.85 0.01 . 1 . . . . . . . . 5936 1 350 . 1 1 91 91 SER C C 13 173.4 0.1 . 1 . . . . . . . . 5936 1 351 . 1 1 91 91 SER CA C 13 61.2 0.1 . 1 . . . . . . . . 5936 1 352 . 1 1 91 91 SER N N 15 113.9 0.1 . 1 . . . . . . . . 5936 1 353 . 1 1 92 92 ARG H H 1 8.03 0.01 . 1 . . . . . . . . 5936 1 354 . 1 1 92 92 ARG HA H 1 3.95 0.01 . 1 . . . . . . . . 5936 1 355 . 1 1 92 92 ARG C C 13 177.4 0.1 . 1 . . . . . . . . 5936 1 356 . 1 1 92 92 ARG CA C 13 58.2 0.1 . 1 . . . . . . . . 5936 1 357 . 1 1 92 92 ARG N N 15 122.18 0.1 . 1 . . . . . . . . 5936 1 358 . 1 1 93 93 ALA H H 1 7.24 0.01 . 1 . . . . . . . . 5936 1 359 . 1 1 93 93 ALA HA H 1 4.4 0.01 . 1 . . . . . . . . 5936 1 360 . 1 1 93 93 ALA C C 13 177.1 0.1 . 1 . . . . . . . . 5936 1 361 . 1 1 93 93 ALA CA C 13 51.6 0.1 . 1 . . . . . . . . 5936 1 362 . 1 1 93 93 ALA N N 15 118.7 0.1 . 1 . . . . . . . . 5936 1 363 . 1 1 94 94 GLY H H 1 7.84 0.01 . 1 . . . . . . . . 5936 1 364 . 1 1 94 94 GLY HA2 H 1 4.01 0.01 . 2 . . . . . . . . 5936 1 365 . 1 1 94 94 GLY C C 13 174.1 0.1 . 1 . . . . . . . . 5936 1 366 . 1 1 94 94 GLY CA C 13 45.43 0.1 . 1 . . . . . . . . 5936 1 367 . 1 1 94 94 GLY N N 15 107.64 0.1 . 1 . . . . . . . . 5936 1 368 . 1 1 95 95 ILE H H 1 7.64 0.01 . 1 . . . . . . . . 5936 1 369 . 1 1 95 95 ILE HA H 1 3.96 0.01 . 1 . . . . . . . . 5936 1 370 . 1 1 95 95 ILE C C 13 174.1 0.1 . 1 . . . . . . . . 5936 1 371 . 1 1 95 95 ILE CA C 13 60.4 0.1 . 1 . . . . . . . . 5936 1 372 . 1 1 95 95 ILE N N 15 120.87 0.1 . 1 . . . . . . . . 5936 1 373 . 1 1 96 96 TYR H H 1 7.6 0.01 . 1 . . . . . . . . 5936 1 374 . 1 1 96 96 TYR HA H 1 4.16 0.01 . 1 . . . . . . . . 5936 1 375 . 1 1 96 96 TYR C C 13 174.5 0.1 . 1 . . . . . . . . 5936 1 376 . 1 1 96 96 TYR CA C 13 57.8 0.1 . 1 . . . . . . . . 5936 1 377 . 1 1 96 96 TYR N N 15 127.4 0.1 . 1 . . . . . . . . 5936 1 378 . 1 1 97 97 ALA H H 1 7.88 0.01 . 1 . . . . . . . . 5936 1 379 . 1 1 97 97 ALA HA H 1 6.33 0.01 . 1 . . . . . . . . 5936 1 380 . 1 1 97 97 ALA C C 13 174.4 0.1 . 1 . . . . . . . . 5936 1 381 . 1 1 97 97 ALA CA C 13 49.1 0.1 . 1 . . . . . . . . 5936 1 382 . 1 1 97 97 ALA N N 15 131.4 0.1 . 1 . . . . . . . . 5936 1 383 . 1 1 98 98 VAL H H 1 8.05 0.01 . 1 . . . . . . . . 5936 1 384 . 1 1 98 98 VAL HA H 1 4.3 0.01 . 1 . . . . . . . . 5936 1 385 . 1 1 98 98 VAL C C 13 173.7 0.1 . 1 . . . . . . . . 5936 1 386 . 1 1 98 98 VAL CA C 13 60.7 0.1 . 1 . . . . . . . . 5936 1 387 . 1 1 98 98 VAL N N 15 116.9 0.1 . 1 . . . . . . . . 5936 1 388 . 1 1 99 99 ARG H H 1 8.68 0.01 . 1 . . . . . . . . 5936 1 389 . 1 1 99 99 ARG HA H 1 5.28 0.01 . 1 . . . . . . . . 5936 1 390 . 1 1 99 99 ARG C C 13 173.1 0.1 . 1 . . . . . . . . 5936 1 391 . 1 1 99 99 ARG CA C 13 52.5 0.1 . 1 . . . . . . . . 5936 1 392 . 1 1 99 99 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 5936 1 393 . 1 1 100 100 ARG H H 1 7.93 0.01 . 1 . . . . . . . . 5936 1 394 . 1 1 100 100 ARG HA H 1 3.52 0.01 . 1 . . . . . . . . 5936 1 395 . 1 1 100 100 ARG C C 13 175.4 0.1 . 1 . . . . . . . . 5936 1 396 . 1 1 100 100 ARG CA C 13 55.6 0.1 . 1 . . . . . . . . 5936 1 397 . 1 1 100 100 ARG N N 15 112.45 0.1 . 1 . . . . . . . . 5936 1 398 . 1 1 101 101 VAL H H 1 8.06 0.01 . 1 . . . . . . . . 5936 1 399 . 1 1 101 101 VAL HA H 1 3.85 0.01 . 1 . . . . . . . . 5936 1 400 . 1 1 101 101 VAL C C 13 176.5 0.1 . 1 . . . . . . . . 5936 1 401 . 1 1 101 101 VAL CA C 13 63.2 0.1 . 1 . . . . . . . . 5936 1 402 . 1 1 101 101 VAL N N 15 120 0.1 . 1 . . . . . . . . 5936 1 403 . 1 1 102 102 LYS H H 1 8.82 0.01 . 1 . . . . . . . . 5936 1 404 . 1 1 102 102 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 5936 1 405 . 1 1 102 102 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5936 1 406 . 1 1 102 102 LYS N N 15 125 0.1 . 1 . . . . . . . . 5936 1 407 . 1 1 104 104 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5936 1 408 . 1 1 104 104 SER C C 13 178 0.1 . 1 . . . . . . . . 5936 1 409 . 1 1 104 104 SER CA C 13 61.4 0.1 . 1 . . . . . . . . 5936 1 410 . 1 1 105 105 ASP H H 1 6.89 0.01 . 1 . . . . . . . . 5936 1 411 . 1 1 105 105 ASP HA H 1 4.58 0.01 . 1 . . . . . . . . 5936 1 412 . 1 1 105 105 ASP C C 13 178.2 0.1 . 1 . . . . . . . . 5936 1 413 . 1 1 105 105 ASP CA C 13 56.8 0.1 . 1 . . . . . . . . 5936 1 414 . 1 1 105 105 ASP N N 15 122.2 0.1 . 1 . . . . . . . . 5936 1 415 . 1 1 106 106 MET H H 1 8.02 0.01 . 1 . . . . . . . . 5936 1 416 . 1 1 106 106 MET HA H 1 4.06 0.01 . 1 . . . . . . . . 5936 1 417 . 1 1 106 106 MET C C 13 178.3 0.1 . 1 . . . . . . . . 5936 1 418 . 1 1 106 106 MET CA C 13 57.4 0.1 . 1 . . . . . . . . 5936 1 419 . 1 1 106 106 MET N N 15 120.65 0.1 . 1 . . . . . . . . 5936 1 420 . 1 1 107 107 ASP H H 1 8.26 0.01 . 1 . . . . . . . . 5936 1 421 . 1 1 107 107 ASP HA H 1 4.35 0.01 . 1 . . . . . . . . 5936 1 422 . 1 1 107 107 ASP C C 13 179.4 0.1 . 1 . . . . . . . . 5936 1 423 . 1 1 107 107 ASP CA C 13 57.4 0.1 . 1 . . . . . . . . 5936 1 424 . 1 1 107 107 ASP N N 15 119.1 0.1 . 1 . . . . . . . . 5936 1 425 . 1 1 108 108 LYS H H 1 7.4 0.01 . 1 . . . . . . . . 5936 1 426 . 1 1 108 108 LYS HA H 1 4 0.01 . 1 . . . . . . . . 5936 1 427 . 1 1 108 108 LYS C C 13 180 0.1 . 1 . . . . . . . . 5936 1 428 . 1 1 108 108 LYS CA C 13 59.2 0.1 . 1 . . . . . . . . 5936 1 429 . 1 1 108 108 LYS N N 15 119.88 0.1 . 1 . . . . . . . . 5936 1 430 . 1 1 109 109 LEU H H 1 8.51 0.01 . 1 . . . . . . . . 5936 1 431 . 1 1 109 109 LEU HA H 1 3.87 0.01 . 1 . . . . . . . . 5936 1 432 . 1 1 109 109 LEU C C 13 180.2 0.1 . 1 . . . . . . . . 5936 1 433 . 1 1 109 109 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 5936 1 434 . 1 1 109 109 LEU N N 15 119.6 0.1 . 1 . . . . . . . . 5936 1 435 . 1 1 110 110 ALA H H 1 8.86 0.01 . 1 . . . . . . . . 5936 1 436 . 1 1 110 110 ALA HA H 1 3.86 0.01 . 1 . . . . . . . . 5936 1 437 . 1 1 110 110 ALA C C 13 179.9 0.1 . 1 . . . . . . . . 5936 1 438 . 1 1 110 110 ALA CA C 13 56 0.1 . 1 . . . . . . . . 5936 1 439 . 1 1 110 110 ALA N N 15 127.4 0.1 . 1 . . . . . . . . 5936 1 440 . 1 1 111 111 LYS H H 1 7.5 0.01 . 1 . . . . . . . . 5936 1 441 . 1 1 111 111 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 5936 1 442 . 1 1 111 111 LYS C C 13 179.1 0.1 . 1 . . . . . . . . 5936 1 443 . 1 1 111 111 LYS CA C 13 58.8 0.1 . 1 . . . . . . . . 5936 1 444 . 1 1 111 111 LYS N N 15 116.9 0.1 . 1 . . . . . . . . 5936 1 445 . 1 1 112 112 ALA H H 1 7.99 0.01 . 1 . . . . . . . . 5936 1 446 . 1 1 112 112 ALA HA H 1 4.3 0.01 . 1 . . . . . . . . 5936 1 447 . 1 1 112 112 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 5936 1 448 . 1 1 112 112 ALA CA C 13 53.9 0.1 . 1 . . . . . . . . 5936 1 449 . 1 1 112 112 ALA N N 15 117.9 0.1 . 1 . . . . . . . . 5936 1 450 . 1 1 113 113 THR H H 1 7.89 0.01 . 1 . . . . . . . . 5936 1 451 . 1 1 113 113 THR HA H 1 4.78 0.01 . 1 . . . . . . . . 5936 1 452 . 1 1 113 113 THR C C 13 176.2 0.1 . 1 . . . . . . . . 5936 1 453 . 1 1 113 113 THR CA C 13 61.3 0.1 . 1 . . . . . . . . 5936 1 454 . 1 1 113 113 THR N N 15 130.82 0.1 . 1 . . . . . . . . 5936 1 455 . 1 1 114 114 GLY H H 1 7.83 0.01 . 1 . . . . . . . . 5936 1 456 . 1 1 114 114 GLY HA2 H 1 4.19 0.01 . 2 . . . . . . . . 5936 1 457 . 1 1 114 114 GLY C C 13 173.9 0.1 . 1 . . . . . . . . 5936 1 458 . 1 1 114 114 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 5936 1 459 . 1 1 114 114 GLY N N 15 110.6 0.1 . 1 . . . . . . . . 5936 1 460 . 1 1 115 115 ALA H H 1 7.32 0.01 . 1 . . . . . . . . 5936 1 461 . 1 1 115 115 ALA HA H 1 4.18 0.01 . 1 . . . . . . . . 5936 1 462 . 1 1 115 115 ALA C C 13 176.9 0.1 . 1 . . . . . . . . 5936 1 463 . 1 1 115 115 ALA CA C 13 51.3 0.1 . 1 . . . . . . . . 5936 1 464 . 1 1 115 115 ALA N N 15 122.4 0.1 . 1 . . . . . . . . 5936 1 465 . 1 1 116 116 SER H H 1 8.36 0.01 . 1 . . . . . . . . 5936 1 466 . 1 1 116 116 SER HA H 1 4.68 0.01 . 1 . . . . . . . . 5936 1 467 . 1 1 116 116 SER C C 13 173.3 0.1 . 1 . . . . . . . . 5936 1 468 . 1 1 116 116 SER CA C 13 56.9 0.1 . 1 . . . . . . . . 5936 1 469 . 1 1 116 116 SER N N 15 115.4 0.1 . 1 . . . . . . . . 5936 1 470 . 1 1 117 117 ILE H H 1 8.41 0.01 . 1 . . . . . . . . 5936 1 471 . 1 1 117 117 ILE HA H 1 3.99 0.01 . 1 . . . . . . . . 5936 1 472 . 1 1 117 117 ILE C C 13 177 0.1 . 1 . . . . . . . . 5936 1 473 . 1 1 117 117 ILE CA C 13 62.2 0.1 . 1 . . . . . . . . 5936 1 474 . 1 1 117 117 ILE N N 15 123.5 0.1 . 1 . . . . . . . . 5936 1 475 . 1 1 118 118 VAL H H 1 8.75 0.01 . 1 . . . . . . . . 5936 1 476 . 1 1 118 118 VAL HA H 1 4.14 0.01 . 1 . . . . . . . . 5936 1 477 . 1 1 118 118 VAL CA C 13 61.7 0.1 . 1 . . . . . . . . 5936 1 478 . 1 1 118 118 VAL N N 15 130.7 0.1 . 1 . . . . . . . . 5936 1 479 . 1 1 119 119 SER HA H 1 4.58 0.01 . 1 . . . . . . . . 5936 1 480 . 1 1 119 119 SER C C 13 174 0.1 . 1 . . . . . . . . 5936 1 481 . 1 1 119 119 SER CA C 13 57.8 0.1 . 1 . . . . . . . . 5936 1 482 . 1 1 120 120 THR H H 1 7.75 0.01 . 1 . . . . . . . . 5936 1 483 . 1 1 120 120 THR HA H 1 4.13 0.01 . 1 . . . . . . . . 5936 1 484 . 1 1 120 120 THR CA C 13 63.2 0.1 . 1 . . . . . . . . 5936 1 485 . 1 1 120 120 THR N N 15 121.1 0.1 . 1 . . . . . . . . 5936 1 486 . 1 1 121 121 ILE HA H 1 3.37 0.01 . 1 . . . . . . . . 5936 1 487 . 1 1 121 121 ILE C C 13 176.7 0.1 . 1 . . . . . . . . 5936 1 488 . 1 1 121 121 ILE CA C 13 64.8 0.1 . 1 . . . . . . . . 5936 1 489 . 1 1 122 122 ASP H H 1 8.26 0.01 . 1 . . . . . . . . 5936 1 490 . 1 1 122 122 ASP HA H 1 4.26 0.01 . 1 . . . . . . . . 5936 1 491 . 1 1 122 122 ASP C C 13 176.9 0.1 . 1 . . . . . . . . 5936 1 492 . 1 1 122 122 ASP CA C 13 56.1 0.1 . 1 . . . . . . . . 5936 1 493 . 1 1 122 122 ASP N N 15 114.7 0.1 . 1 . . . . . . . . 5936 1 494 . 1 1 123 123 GLU H H 1 7.3 0.01 . 1 . . . . . . . . 5936 1 495 . 1 1 123 123 GLU HA H 1 4.36 0.01 . 1 . . . . . . . . 5936 1 496 . 1 1 123 123 GLU C C 13 176.9 0.1 . 1 . . . . . . . . 5936 1 497 . 1 1 123 123 GLU CA C 13 55.2 0.1 . 1 . . . . . . . . 5936 1 498 . 1 1 123 123 GLU N N 15 114.5 0.1 . 1 . . . . . . . . 5936 1 499 . 1 1 124 124 ILE H H 1 7.62 0.01 . 1 . . . . . . . . 5936 1 500 . 1 1 124 124 ILE HA H 1 4.14 0.01 . 1 . . . . . . . . 5936 1 501 . 1 1 124 124 ILE C C 13 172.7 0.1 . 1 . . . . . . . . 5936 1 502 . 1 1 124 124 ILE CA C 13 63.2 0.1 . 1 . . . . . . . . 5936 1 503 . 1 1 124 124 ILE N N 15 122.8 0.1 . 1 . . . . . . . . 5936 1 504 . 1 1 125 125 SER H H 1 9.04 0.01 . 1 . . . . . . . . 5936 1 505 . 1 1 125 125 SER HA H 1 4.96 0.01 . 1 . . . . . . . . 5936 1 506 . 1 1 125 125 SER CA C 13 56 0.1 . 1 . . . . . . . . 5936 1 507 . 1 1 125 125 SER N N 15 121.2 0.1 . 1 . . . . . . . . 5936 1 508 . 1 1 127 127 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 5936 1 509 . 1 1 127 127 SER C C 13 175.1 0.1 . 1 . . . . . . . . 5936 1 510 . 1 1 127 127 SER CA C 13 59.6 0.1 . 1 . . . . . . . . 5936 1 511 . 1 1 128 128 ASP H H 1 7.73 0.01 . 1 . . . . . . . . 5936 1 512 . 1 1 128 128 ASP HA H 1 4.64 0.01 . 1 . . . . . . . . 5936 1 513 . 1 1 128 128 ASP C C 13 177.6 0.1 . 1 . . . . . . . . 5936 1 514 . 1 1 128 128 ASP CA C 13 56 0.1 . 1 . . . . . . . . 5936 1 515 . 1 1 128 128 ASP N N 15 119.3 0.1 . 1 . . . . . . . . 5936 1 516 . 1 1 129 129 LEU H H 1 7.26 0.01 . 1 . . . . . . . . 5936 1 517 . 1 1 129 129 LEU HA H 1 4.61 0.01 . 1 . . . . . . . . 5936 1 518 . 1 1 129 129 LEU C C 13 178 0.1 . 1 . . . . . . . . 5936 1 519 . 1 1 129 129 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5936 1 520 . 1 1 129 129 LEU N N 15 117.8 0.1 . 1 . . . . . . . . 5936 1 521 . 1 1 130 130 GLY H H 1 9.35 0.01 . 1 . . . . . . . . 5936 1 522 . 1 1 130 130 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 5936 1 523 . 1 1 130 130 GLY CA C 13 43.3 0.1 . 1 . . . . . . . . 5936 1 524 . 1 1 130 130 GLY N N 15 108.4 0.1 . 1 . . . . . . . . 5936 1 525 . 1 1 131 131 THR H H 1 8.75 0.01 . 1 . . . . . . . . 5936 1 526 . 1 1 131 131 THR HA H 1 5.32 0.01 . 1 . . . . . . . . 5936 1 527 . 1 1 131 131 THR C C 13 173.4 0.1 . 1 . . . . . . . . 5936 1 528 . 1 1 131 131 THR CA C 13 60.6 0.1 . 1 . . . . . . . . 5936 1 529 . 1 1 131 131 THR N N 15 113.2 0.1 . 1 . . . . . . . . 5936 1 530 . 1 1 132 132 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 5936 1 531 . 1 1 132 132 ALA HA H 1 4.53 0.01 . 1 . . . . . . . . 5936 1 532 . 1 1 132 132 ALA C C 13 175.7 0.1 . 1 . . . . . . . . 5936 1 533 . 1 1 132 132 ALA CA C 13 51.1 0.1 . 1 . . . . . . . . 5936 1 534 . 1 1 132 132 ALA N N 15 122.3 0.1 . 1 . . . . . . . . 5936 1 535 . 1 1 133 133 GLU H H 1 8.09 0.01 . 1 . . . . . . . . 5936 1 536 . 1 1 133 133 GLU HA H 1 4.19 0.01 . 1 . . . . . . . . 5936 1 537 . 1 1 133 133 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 5936 1 538 . 1 1 133 133 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 5936 1 539 . 1 1 133 133 GLU N N 15 122.2 0.1 . 1 . . . . . . . . 5936 1 540 . 1 1 134 134 ARG H H 1 7.84 0.01 . 1 . . . . . . . . 5936 1 541 . 1 1 134 134 ARG HA H 1 5.15 0.01 . 1 . . . . . . . . 5936 1 542 . 1 1 134 134 ARG C C 13 173.7 0.1 . 1 . . . . . . . . 5936 1 543 . 1 1 134 134 ARG CA C 13 55.7 0.1 . 1 . . . . . . . . 5936 1 544 . 1 1 134 134 ARG N N 15 133.9 0.1 . 1 . . . . . . . . 5936 1 545 . 1 1 135 135 VAL H H 1 8.42 0.01 . 1 . . . . . . . . 5936 1 546 . 1 1 135 135 VAL HA H 1 4.67 0.01 . 1 . . . . . . . . 5936 1 547 . 1 1 135 135 VAL C C 13 173.7 0.1 . 1 . . . . . . . . 5936 1 548 . 1 1 135 135 VAL CA C 13 61.1 0.1 . 1 . . . . . . . . 5936 1 549 . 1 1 135 135 VAL N N 15 123.9 0.1 . 1 . . . . . . . . 5936 1 550 . 1 1 136 136 GLU H H 1 8.9 0.01 . 1 . . . . . . . . 5936 1 551 . 1 1 136 136 GLU HA H 1 5.36 0.01 . 1 . . . . . . . . 5936 1 552 . 1 1 136 136 GLU C C 13 173.9 0.1 . 1 . . . . . . . . 5936 1 553 . 1 1 136 136 GLU CA C 13 53.7 0.1 . 1 . . . . . . . . 5936 1 554 . 1 1 136 136 GLU N N 15 123.9 0.1 . 1 . . . . . . . . 5936 1 555 . 1 1 137 137 GLN H H 1 8.89 0.01 . 1 . . . . . . . . 5936 1 556 . 1 1 137 137 GLN HA H 1 5.36 0.01 . 1 . . . . . . . . 5936 1 557 . 1 1 137 137 GLN C C 13 176.2 0.1 . 1 . . . . . . . . 5936 1 558 . 1 1 137 137 GLN CA C 13 55.7 0.1 . 1 . . . . . . . . 5936 1 559 . 1 1 137 137 GLN N N 15 124.15 0.1 . 1 . . . . . . . . 5936 1 560 . 1 1 138 138 VAL H H 1 9.1 0.01 . 1 . . . . . . . . 5936 1 561 . 1 1 138 138 VAL HA H 1 4.67 0.01 . 1 . . . . . . . . 5936 1 562 . 1 1 138 138 VAL C C 13 173.7 0.1 . 1 . . . . . . . . 5936 1 563 . 1 1 138 138 VAL CA C 13 59.2 0.1 . 1 . . . . . . . . 5936 1 564 . 1 1 138 138 VAL N N 15 124.6 0.1 . 1 . . . . . . . . 5936 1 565 . 1 1 139 139 LYS H H 1 8.42 0.01 . 1 . . . . . . . . 5936 1 566 . 1 1 139 139 LYS HA H 1 4.49 0.01 . 1 . . . . . . . . 5936 1 567 . 1 1 139 139 LYS C C 13 176 0.1 . 1 . . . . . . . . 5936 1 568 . 1 1 139 139 LYS CA C 13 55.6 0.1 . 1 . . . . . . . . 5936 1 569 . 1 1 139 139 LYS N N 15 125 0.1 . 1 . . . . . . . . 5936 1 570 . 1 1 140 140 VAL H H 1 8.73 0.01 . 1 . . . . . . . . 5936 1 571 . 1 1 140 140 VAL HA H 1 4.03 0.01 . 1 . . . . . . . . 5936 1 572 . 1 1 140 140 VAL CA C 13 61.1 0.1 . 1 . . . . . . . . 5936 1 573 . 1 1 140 140 VAL N N 15 129.8 0.1 . 1 . . . . . . . . 5936 1 574 . 1 1 142 142 GLU HA H 1 4.2 0.01 . 1 . . . . . . . . 5936 1 575 . 1 1 142 142 GLU C C 13 175.7 0.1 . 1 . . . . . . . . 5936 1 576 . 1 1 142 142 GLU CA C 13 55.4 0.1 . 1 . . . . . . . . 5936 1 577 . 1 1 143 143 ASP H H 1 7.61 0.01 . 1 . . . . . . . . 5936 1 578 . 1 1 143 143 ASP HA H 1 4.84 0.01 . 1 . . . . . . . . 5936 1 579 . 1 1 143 143 ASP C C 13 174.3 0.1 . 1 . . . . . . . . 5936 1 580 . 1 1 143 143 ASP CA C 13 53.4 0.1 . 1 . . . . . . . . 5936 1 581 . 1 1 143 143 ASP N N 15 118.9 0.1 . 1 . . . . . . . . 5936 1 582 . 1 1 144 144 TYR H H 1 8.49 0.01 . 1 . . . . . . . . 5936 1 583 . 1 1 144 144 TYR HA H 1 5.07 0.01 . 1 . . . . . . . . 5936 1 584 . 1 1 144 144 TYR C C 13 175.2 0.1 . 1 . . . . . . . . 5936 1 585 . 1 1 144 144 TYR CA C 13 57.8 0.1 . 1 . . . . . . . . 5936 1 586 . 1 1 144 144 TYR N N 15 119.3 0.1 . 1 . . . . . . . . 5936 1 587 . 1 1 145 145 MET H H 1 9.11 0.01 . 1 . . . . . . . . 5936 1 588 . 1 1 145 145 MET HA H 1 4.73 0.01 . 1 . . . . . . . . 5936 1 589 . 1 1 145 145 MET C C 13 174.2 0.1 . 1 . . . . . . . . 5936 1 590 . 1 1 145 145 MET CA C 13 54.2 0.1 . 1 . . . . . . . . 5936 1 591 . 1 1 145 145 MET N N 15 118.9 0.1 . 1 . . . . . . . . 5936 1 592 . 1 1 146 146 THR H H 1 8.73 0.01 . 1 . . . . . . . . 5936 1 593 . 1 1 146 146 THR HA H 1 5.04 0.01 . 1 . . . . . . . . 5936 1 594 . 1 1 146 146 THR C C 13 172.2 0.1 . 1 . . . . . . . . 5936 1 595 . 1 1 146 146 THR CA C 13 63.2 0.1 . 1 . . . . . . . . 5936 1 596 . 1 1 146 146 THR N N 15 117.6 0.1 . 1 . . . . . . . . 5936 1 597 . 1 1 147 147 PHE H H 1 9.87 0.01 . 1 . . . . . . . . 5936 1 598 . 1 1 147 147 PHE HA H 1 5.4 0.01 . 1 . . . . . . . . 5936 1 599 . 1 1 147 147 PHE C C 13 174.8 0.1 . 1 . . . . . . . . 5936 1 600 . 1 1 147 147 PHE CA C 13 55.2 0.1 . 1 . . . . . . . . 5936 1 601 . 1 1 147 147 PHE N N 15 129.4 0.1 . 1 . . . . . . . . 5936 1 602 . 1 1 148 148 VAL H H 1 8.87 0.01 . 1 . . . . . . . . 5936 1 603 . 1 1 148 148 VAL HA H 1 4.45 0.01 . 1 . . . . . . . . 5936 1 604 . 1 1 148 148 VAL CA C 13 61 0.1 . 1 . . . . . . . . 5936 1 605 . 1 1 148 148 VAL N N 15 128.5 0.1 . 1 . . . . . . . . 5936 1 stop_ save_