data_16342 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16342 _Entry.Title ; Backbone 1H, 13C, 15N and 13C-beta Chemical Shift Assignments for alpha-synuclein at pH 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-09 _Entry.Accession_date 2009-06-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Min-Kyu Cho . . . 16342 2 Hai-Young Kim . . . 16342 3 Markus Zweckstetter . . . 16342 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16342 heteronucl_NOEs 1 16342 RDCs 1 16342 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 210 16342 '15N chemical shifts' 130 16342 '1H chemical shifts' 130 16342 'heteronuclear NOE values' 128 16342 'residual dipolar couplings' 117 16342 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-04-29 2009-06-09 update BMRB 'update related entries, etc.' 16342 2 . . 2009-08-28 2009-06-09 update BMRB 'complete entry citation' 16342 1 . . 2009-07-06 2009-06-09 original author 'original release' 16342 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16300 aSyn 16342 BMRB 16547 'aSyn E46K-pH6' 16342 BMRB 16904 alpha-synuclei 16342 BMRB 5744 'Broken Alpha-helix in Folded Alpha-synuclein' 16342 BMRB 6968 'NOE's of unfolded alpha-synuclein' 16342 BMRB 7244 gSyn 16342 stop_ save_ ############### # Citations # ############### save_Protein_Science _Citation.Sf_category citations _Citation.Sf_framecode Protein_Science _Citation.Entry_ID 16342 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19554627 _Citation.Full_citation . _Citation.Title 'Structural characterization of alpha-synuclein in an aggregation prone state' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 9 _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 1840 _Citation.Page_last 1846 _Citation.Year 2009 _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 Min-Kyu Cho . . . 16342 1 2 Gabrielle Nodet . . . 16342 1 3 Hai-Young Kim . . . 16342 1 4 Malene Jensen . R. . 16342 1 5 Pau Bernado . . . 16342 1 6 Claudio Fernandez . O. . 16342 1 7 Stefan Becker . . . 16342 1 8 Martin Blackledge . . . 16342 1 9 Markus Zweckstetter . . . 16342 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16342 _Assembly.ID 1 _Assembly.Name a-synuclein _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'human a-synuclein' 1 $human_a-synuclein A . yes denatured no no . . . 16342 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_a-synuclein _Entity.Sf_category entity _Entity.Sf_framecode human_a-synuclein _Entity.Entry_ID 16342 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_a-synuclein _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 ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA ; _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-25 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 BMRB 16300 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 2 no BMRB 16302 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 3 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 4 no BMRB 16546 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.04e-88 . . . . 16342 1 5 no BMRB 16547 . E46K_alpha-synuclein . . . . . 100.00 140 99.29 100.00 5.02e-89 . . . . 16342 1 6 no BMRB 16548 . A53T_alpha-synuclein . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 16342 1 7 no BMRB 16904 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 8 no BMRB 16939 . WT_alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 16342 1 9 no BMRB 17214 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 1.04e-88 . . . . 16342 1 10 no BMRB 17498 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 11 no BMRB 17648 . A30P_alpha-synuclein . . . . . 100.00 140 98.57 98.57 2.27e-87 . . . . 16342 1 12 no BMRB 17649 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 16342 1 13 no BMRB 17654 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 8.96e-88 . . . . 16342 1 14 no BMRB 17665 . aSyn . . . . . 100.00 150 100.00 100.00 5.32e-89 . . . . 16342 1 15 no BMRB 17910 . wild-type_alpha-synuclein_formed_in_phospholipid_vesicles . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 16342 1 16 no BMRB 18207 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 7.69e-88 . . . . 16342 1 17 no BMRB 18208 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 8.96e-88 . . . . 16342 1 18 no BMRB 18243 . alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 2.12e-88 . . . . 16342 1 19 no BMRB 18857 . alpha_synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 20 no BMRB 18860 . a-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 21 no BMRB 19257 . Alpha-synuclein . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 22 no BMRB 19337 . aSyn . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 23 no BMRB 19338 . aSyn_A53T . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 16342 1 24 no BMRB 19344 . aSyn_S87N . . . . . 100.00 140 99.29 100.00 4.55e-89 . . . . 16342 1 25 no BMRB 19345 . aSyn_A53T&S87N . . . . . 100.00 140 98.57 99.29 2.03e-88 . . . . 16342 1 26 no BMRB 19350 . acet_aSyn . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 27 no BMRB 19351 . acet_aSyn_A53T . . . . . 100.00 140 99.29 99.29 4.17e-89 . . . . 16342 1 28 no BMRB 25227 . aSyn-WT . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 29 no BMRB 25228 . H50Q . . . . . 100.00 140 99.29 99.29 1.80e-88 . . . . 16342 1 30 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 31 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 32 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 72.86 122 97.06 99.02 2.67e-56 . . . . 16342 1 33 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 34 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 35 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 36 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 37 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 38 no GB AAC02114 . "NACP/alpha-synuclein [Homo sapiens]" . . . . . 100.00 140 98.57 98.57 5.92e-88 . . . . 16342 1 39 no GB AAG30302 . "SNCA isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 40 no GB AAH13293 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 41 no GB AAI08276 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 42 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 43 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 44 no REF NP_001032222 . "alpha-synuclein [Sus scrofa]" . . . . . 100.00 140 97.86 97.86 1.65e-86 . . . . 16342 1 45 no REF NP_001129014 . "alpha-synuclein [Pongo abelii]" . . . . . 100.00 140 99.29 99.29 1.99e-88 . . . . 16342 1 46 no REF NP_001139526 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 47 no SP P37840 . "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 48 no SP P61139 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 99.29 100.00 2.50e-89 . . . . 16342 1 49 no SP P61140 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 100.00 100.00 1.19e-89 . . . . 16342 1 50 no SP P61142 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 100.00 3.46e-89 . . . . 16342 1 51 no SP P61143 . "RecName: Full=Alpha-synuclein" . . . . . 100.00 140 98.57 100.00 3.46e-89 . . . . 16342 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 . 16342 1 2 . ASP . 16342 1 3 . VAL . 16342 1 4 . PHE . 16342 1 5 . MET . 16342 1 6 . LYS . 16342 1 7 . GLY . 16342 1 8 . LEU . 16342 1 9 . SER . 16342 1 10 . LYS . 16342 1 11 . ALA . 16342 1 12 . LYS . 16342 1 13 . GLU . 16342 1 14 . GLY . 16342 1 15 . VAL . 16342 1 16 . VAL . 16342 1 17 . ALA . 16342 1 18 . ALA . 16342 1 19 . ALA . 16342 1 20 . GLU . 16342 1 21 . LYS . 16342 1 22 . THR . 16342 1 23 . LYS . 16342 1 24 . GLN . 16342 1 25 . GLY . 16342 1 26 . VAL . 16342 1 27 . ALA . 16342 1 28 . GLU . 16342 1 29 . ALA . 16342 1 30 . ALA . 16342 1 31 . GLY . 16342 1 32 . LYS . 16342 1 33 . THR . 16342 1 34 . LYS . 16342 1 35 . GLU . 16342 1 36 . GLY . 16342 1 37 . VAL . 16342 1 38 . LEU . 16342 1 39 . TYR . 16342 1 40 . VAL . 16342 1 41 . GLY . 16342 1 42 . SER . 16342 1 43 . LYS . 16342 1 44 . THR . 16342 1 45 . LYS . 16342 1 46 . GLU . 16342 1 47 . GLY . 16342 1 48 . VAL . 16342 1 49 . VAL . 16342 1 50 . HIS . 16342 1 51 . GLY . 16342 1 52 . VAL . 16342 1 53 . ALA . 16342 1 54 . THR . 16342 1 55 . VAL . 16342 1 56 . ALA . 16342 1 57 . GLU . 16342 1 58 . LYS . 16342 1 59 . THR . 16342 1 60 . LYS . 16342 1 61 . GLU . 16342 1 62 . GLN . 16342 1 63 . VAL . 16342 1 64 . THR . 16342 1 65 . ASN . 16342 1 66 . VAL . 16342 1 67 . GLY . 16342 1 68 . GLY . 16342 1 69 . ALA . 16342 1 70 . VAL . 16342 1 71 . VAL . 16342 1 72 . THR . 16342 1 73 . GLY . 16342 1 74 . VAL . 16342 1 75 . THR . 16342 1 76 . ALA . 16342 1 77 . VAL . 16342 1 78 . ALA . 16342 1 79 . GLN . 16342 1 80 . LYS . 16342 1 81 . THR . 16342 1 82 . VAL . 16342 1 83 . GLU . 16342 1 84 . GLY . 16342 1 85 . ALA . 16342 1 86 . GLY . 16342 1 87 . SER . 16342 1 88 . ILE . 16342 1 89 . ALA . 16342 1 90 . ALA . 16342 1 91 . ALA . 16342 1 92 . THR . 16342 1 93 . GLY . 16342 1 94 . PHE . 16342 1 95 . VAL . 16342 1 96 . LYS . 16342 1 97 . LYS . 16342 1 98 . ASP . 16342 1 99 . GLN . 16342 1 100 . LEU . 16342 1 101 . GLY . 16342 1 102 . LYS . 16342 1 103 . ASN . 16342 1 104 . GLU . 16342 1 105 . GLU . 16342 1 106 . GLY . 16342 1 107 . ALA . 16342 1 108 . PRO . 16342 1 109 . GLN . 16342 1 110 . GLU . 16342 1 111 . GLY . 16342 1 112 . ILE . 16342 1 113 . LEU . 16342 1 114 . GLU . 16342 1 115 . ASP . 16342 1 116 . MET . 16342 1 117 . PRO . 16342 1 118 . VAL . 16342 1 119 . ASP . 16342 1 120 . PRO . 16342 1 121 . ASP . 16342 1 122 . ASN . 16342 1 123 . GLU . 16342 1 124 . ALA . 16342 1 125 . TYR . 16342 1 126 . GLU . 16342 1 127 . MET . 16342 1 128 . PRO . 16342 1 129 . SER . 16342 1 130 . GLU . 16342 1 131 . GLU . 16342 1 132 . GLY . 16342 1 133 . TYR . 16342 1 134 . GLN . 16342 1 135 . ASP . 16342 1 136 . TYR . 16342 1 137 . GLU . 16342 1 138 . PRO . 16342 1 139 . GLU . 16342 1 140 . ALA . 16342 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 16342 1 . ASP 2 2 16342 1 . VAL 3 3 16342 1 . PHE 4 4 16342 1 . MET 5 5 16342 1 . LYS 6 6 16342 1 . GLY 7 7 16342 1 . LEU 8 8 16342 1 . SER 9 9 16342 1 . LYS 10 10 16342 1 . ALA 11 11 16342 1 . LYS 12 12 16342 1 . GLU 13 13 16342 1 . GLY 14 14 16342 1 . VAL 15 15 16342 1 . VAL 16 16 16342 1 . ALA 17 17 16342 1 . ALA 18 18 16342 1 . ALA 19 19 16342 1 . GLU 20 20 16342 1 . LYS 21 21 16342 1 . THR 22 22 16342 1 . LYS 23 23 16342 1 . GLN 24 24 16342 1 . GLY 25 25 16342 1 . VAL 26 26 16342 1 . ALA 27 27 16342 1 . GLU 28 28 16342 1 . ALA 29 29 16342 1 . ALA 30 30 16342 1 . GLY 31 31 16342 1 . LYS 32 32 16342 1 . THR 33 33 16342 1 . LYS 34 34 16342 1 . GLU 35 35 16342 1 . GLY 36 36 16342 1 . VAL 37 37 16342 1 . LEU 38 38 16342 1 . TYR 39 39 16342 1 . VAL 40 40 16342 1 . GLY 41 41 16342 1 . SER 42 42 16342 1 . LYS 43 43 16342 1 . THR 44 44 16342 1 . LYS 45 45 16342 1 . GLU 46 46 16342 1 . GLY 47 47 16342 1 . VAL 48 48 16342 1 . VAL 49 49 16342 1 . HIS 50 50 16342 1 . GLY 51 51 16342 1 . VAL 52 52 16342 1 . ALA 53 53 16342 1 . THR 54 54 16342 1 . VAL 55 55 16342 1 . ALA 56 56 16342 1 . GLU 57 57 16342 1 . LYS 58 58 16342 1 . THR 59 59 16342 1 . LYS 60 60 16342 1 . GLU 61 61 16342 1 . GLN 62 62 16342 1 . VAL 63 63 16342 1 . THR 64 64 16342 1 . ASN 65 65 16342 1 . VAL 66 66 16342 1 . GLY 67 67 16342 1 . GLY 68 68 16342 1 . ALA 69 69 16342 1 . VAL 70 70 16342 1 . VAL 71 71 16342 1 . THR 72 72 16342 1 . GLY 73 73 16342 1 . VAL 74 74 16342 1 . THR 75 75 16342 1 . ALA 76 76 16342 1 . VAL 77 77 16342 1 . ALA 78 78 16342 1 . GLN 79 79 16342 1 . LYS 80 80 16342 1 . THR 81 81 16342 1 . VAL 82 82 16342 1 . GLU 83 83 16342 1 . GLY 84 84 16342 1 . ALA 85 85 16342 1 . GLY 86 86 16342 1 . SER 87 87 16342 1 . ILE 88 88 16342 1 . ALA 89 89 16342 1 . ALA 90 90 16342 1 . ALA 91 91 16342 1 . THR 92 92 16342 1 . GLY 93 93 16342 1 . PHE 94 94 16342 1 . VAL 95 95 16342 1 . LYS 96 96 16342 1 . LYS 97 97 16342 1 . ASP 98 98 16342 1 . GLN 99 99 16342 1 . LEU 100 100 16342 1 . GLY 101 101 16342 1 . LYS 102 102 16342 1 . ASN 103 103 16342 1 . GLU 104 104 16342 1 . GLU 105 105 16342 1 . GLY 106 106 16342 1 . ALA 107 107 16342 1 . PRO 108 108 16342 1 . GLN 109 109 16342 1 . GLU 110 110 16342 1 . GLY 111 111 16342 1 . ILE 112 112 16342 1 . LEU 113 113 16342 1 . GLU 114 114 16342 1 . ASP 115 115 16342 1 . MET 116 116 16342 1 . PRO 117 117 16342 1 . VAL 118 118 16342 1 . ASP 119 119 16342 1 . PRO 120 120 16342 1 . ASP 121 121 16342 1 . ASN 122 122 16342 1 . GLU 123 123 16342 1 . ALA 124 124 16342 1 . TYR 125 125 16342 1 . GLU 126 126 16342 1 . MET 127 127 16342 1 . PRO 128 128 16342 1 . SER 129 129 16342 1 . GLU 130 130 16342 1 . GLU 131 131 16342 1 . GLY 132 132 16342 1 . TYR 133 133 16342 1 . GLN 134 134 16342 1 . ASP 135 135 16342 1 . TYR 136 136 16342 1 . GLU 137 137 16342 1 . PRO 138 138 16342 1 . GLU 139 139 16342 1 . ALA 140 140 16342 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 16342 _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 $human_a-synuclein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16342 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 16342 _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 $human_a-synuclein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . T7 . . . . . . 16342 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16342 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM NaAcetate buffer at pH 3.0 100 mM NaCl ; _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 a-synuclein '[U-13C; U-15N]' . . 1 $human_a-synuclein . . 300 . . uM . . . . 16342 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16342 1 3 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16342 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16342 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16342 1 stop_ save_ ####################### # Sample conditions # ####################### save_pH3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH3 _Sample_condition_list.Entry_ID 16342 _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' 0.28 . M 16342 1 pH 3.0 0.1 pH 16342 1 pressure 1 . atm 16342 1 temperature 288 0.1 K 16342 1 stop_ save_ save_pH3_anisotropic _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH3_anisotropic _Sample_condition_list.Entry_ID 16342 _Sample_condition_list.ID 2 _Sample_condition_list.Details C8E5/Hexanol 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' 0.28 . M 16342 2 pH 3.0 0.1 pH 16342 2 pressure 1 . atm 16342 2 temperature 288 0.1 K 16342 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16342 _Software.ID 1 _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' . . 16342 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16342 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16342 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16342 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16342 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16342 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16342 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16342 3 'data analysis' 16342 3 'peak picking' 16342 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16342 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo probe platform' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16342 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 16342 _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 . 600 'with cryo probe platform' . . 16342 1 2 spectrometer_2 Bruker Avance . 700 . . . 16342 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 16342 _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 $pH3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16342 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $pH3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16342 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $pH3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16342 1 4 '2D Heteronuclear NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $pH3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16342 1 5 '2D IPAP 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 2 $pH3_anisotropic . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16342 1 6 '2D 1H-15N R1rho' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $pH3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16342 1 7 '2D 1H-15N R2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $pH3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16342 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 16342 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16342 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16342 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16342 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 16342 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH3 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16342 1 2 '3D CBCA(CO)NH' . . . 16342 1 3 '3D HNCACB' . . . 16342 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 16342 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 1 1 MET CA C 13 54.83 0.2 . 1 . . . . 1 MET CA . 16342 1 2 . 1 1 1 1 MET CB C 13 32.681 0.2 . 1 . . . . 1 MET CB . 16342 1 3 . 1 1 2 2 ASP H H 1 8.915 0.02 . 1 . . . . 2 ASP H . 16342 1 4 . 1 1 2 2 ASP C C 13 176.65 0.2 . 1 . . . . 2 ASP CO . 16342 1 5 . 1 1 2 2 ASP CA C 13 52.69 0.2 . 1 . . . . 2 ASP CA . 16342 1 6 . 1 1 2 2 ASP CB C 13 38.469 0.2 . 1 . . . . 2 ASP CB . 16342 1 7 . 1 1 2 2 ASP N N 15 123.3 0.2 . 1 . . . . 2 ASP N . 16342 1 8 . 1 1 3 3 VAL H H 1 8.25 0.02 . 1 . . . . 3 VAL H . 16342 1 9 . 1 1 3 3 VAL C C 13 175.71 0.2 . 1 . . . . 3 VAL CO . 16342 1 10 . 1 1 3 3 VAL CA C 13 62.439 0.2 . 1 . . . . 3 VAL CA . 16342 1 11 . 1 1 3 3 VAL CB C 13 32.649 0.2 . 1 . . . . 3 VAL CB . 16342 1 12 . 1 1 3 3 VAL N N 15 120.7 0.2 . 1 . . . . 3 VAL N . 16342 1 13 . 1 1 4 4 PHE H H 1 8.306 0.02 . 1 . . . . 4 PHE H . 16342 1 14 . 1 1 4 4 PHE C C 13 174.65 0.2 . 1 . . . . 4 PHE CO . 16342 1 15 . 1 1 4 4 PHE CA C 13 57.73 0.2 . 1 . . . . 4 PHE CA . 16342 1 16 . 1 1 4 4 PHE CB C 13 39.346 0.2 . 1 . . . . 4 PHE CB . 16342 1 17 . 1 1 4 4 PHE N N 15 124 0.2 . 1 . . . . 4 PHE N . 16342 1 18 . 1 1 5 5 MET H H 1 8.19 0.02 . 1 . . . . 5 MET H . 16342 1 19 . 1 1 5 5 MET N N 15 122.7 0.2 . 1 . . . . 5 MET N . 16342 1 20 . 1 1 6 6 LYS H H 1 8.271 0.02 . 1 . . . . 6 LYS H . 16342 1 21 . 1 1 6 6 LYS C C 13 176.46 0.2 . 1 . . . . 6 LYS CO . 16342 1 22 . 1 1 6 6 LYS CA C 13 56.525 0.2 . 1 . . . . 6 LYS CA . 16342 1 23 . 1 1 6 6 LYS CB C 13 32.747 0.2 . 1 . . . . 6 LYS CB . 16342 1 24 . 1 1 6 6 LYS N N 15 123.1 0.2 . 1 . . . . 6 LYS N . 16342 1 25 . 1 1 7 7 GLY H H 1 8.411 0.02 . 1 . . . . 7 GLY H . 16342 1 26 . 1 1 7 7 GLY CA C 13 45.026 0.2 . 1 . . . . 7 GLY CA . 16342 1 27 . 1 1 7 7 GLY N N 15 110.3 0.2 . 1 . . . . 7 GLY N . 16342 1 28 . 1 1 8 8 LEU H H 1 8.063 0.02 . 1 . . . . 8 LEU H . 16342 1 29 . 1 1 8 8 LEU C C 13 177.59 0.2 . 1 . . . . 8 LEU CO . 16342 1 30 . 1 1 8 8 LEU CA C 13 55.025 0.2 . 1 . . . . 8 LEU CA . 16342 1 31 . 1 1 8 8 LEU CB C 13 42.413 0.2 . 1 . . . . 8 LEU CB . 16342 1 32 . 1 1 8 8 LEU N N 15 121.9 0.2 . 1 . . . . 8 LEU N . 16342 1 33 . 1 1 9 9 SER H H 1 8.323 0.02 . 1 . . . . 9 SER H . 16342 1 34 . 1 1 9 9 SER C C 13 174.61 0.2 . 1 . . . . 9 SER CO . 16342 1 35 . 1 1 9 9 SER CA C 13 58.15 0.2 . 1 . . . . 9 SER CA . 16342 1 36 . 1 1 9 9 SER CB C 13 63.69 0.2 . 1 . . . . 9 SER CB . 16342 1 37 . 1 1 9 9 SER N N 15 117 0.2 . 1 . . . . 9 SER N . 16342 1 38 . 1 1 10 10 LYS H H 1 8.398 0.02 . 1 . . . . 10 LYS H . 16342 1 39 . 1 1 10 10 LYS C C 13 176.63 0.2 . 1 . . . . 10 LYS CO . 16342 1 40 . 1 1 10 10 LYS CA C 13 56.54 0.2 . 1 . . . . 10 LYS CA . 16342 1 41 . 1 1 10 10 LYS CB C 13 32.685 0.2 . 1 . . . . 10 LYS CB . 16342 1 42 . 1 1 10 10 LYS N N 15 123.8 0.2 . 1 . . . . 10 LYS N . 16342 1 43 . 1 1 11 11 ALA H H 1 8.264 0.02 . 1 . . . . 11 ALA H . 16342 1 44 . 1 1 11 11 ALA C C 13 177.28 0.2 . 1 . . . . 11 ALA CO . 16342 1 45 . 1 1 11 11 ALA CA C 13 52.638 0.2 . 1 . . . . 11 ALA CA . 16342 1 46 . 1 1 11 11 ALA CB C 13 18.961 0.2 . 1 . . . . 11 ALA CB . 16342 1 47 . 1 1 11 11 ALA N N 15 125 0.2 . 1 . . . . 11 ALA N . 16342 1 48 . 1 1 12 12 LYS H H 1 8.276 0.02 . 1 . . . . 12 LYS H . 16342 1 49 . 1 1 12 12 LYS C C 13 176.69 0.2 . 1 . . . . 12 LYS CO . 16342 1 50 . 1 1 12 12 LYS CA C 13 56.351 0.2 . 1 . . . . 12 LYS CA . 16342 1 51 . 1 1 12 12 LYS CB C 13 32.832 0.2 . 1 . . . . 12 LYS CB . 16342 1 52 . 1 1 12 12 LYS N N 15 120.9 0.2 . 1 . . . . 12 LYS N . 16342 1 53 . 1 1 13 13 GLU H H 1 8.436 0.02 . 1 . . . . 13 GLU H . 16342 1 54 . 1 1 13 13 GLU C C 13 177.93 0.2 . 1 . . . . 13 GLU CO . 16342 1 55 . 1 1 13 13 GLU CA C 13 55.89 0.2 . 1 . . . . 13 GLU CA . 16342 1 56 . 1 1 13 13 GLU CB C 13 28.806 0.2 . 1 . . . . 13 GLU CB . 16342 1 57 . 1 1 13 13 GLU N N 15 122 0.2 . 1 . . . . 13 GLU N . 16342 1 58 . 1 1 14 14 GLY H H 1 8.429 0.02 . 1 . . . . 14 GLY H . 16342 1 59 . 1 1 14 14 GLY C C 13 174.04 0.2 . 1 . . . . 14 GLY CO . 16342 1 60 . 1 1 14 14 GLY CA C 13 45.313 0.2 . 1 . . . . 14 GLY CA . 16342 1 61 . 1 1 14 14 GLY N N 15 110.2 0.2 . 1 . . . . 14 GLY N . 16342 1 62 . 1 1 15 15 VAL H H 1 7.976 0.02 . 1 . . . . 15 VAL H . 16342 1 63 . 1 1 15 15 VAL C C 13 176.58 0.2 . 1 . . . . 15 VAL CO . 16342 1 64 . 1 1 15 15 VAL CA C 13 62.902 0.2 . 1 . . . . 15 VAL CA . 16342 1 65 . 1 1 15 15 VAL CB C 13 32.614 0.2 . 1 . . . . 15 VAL CB . 16342 1 66 . 1 1 15 15 VAL N N 15 120.4 0.2 . 1 . . . . 15 VAL N . 16342 1 67 . 1 1 16 16 VAL H H 1 8.274 0.02 . 1 . . . . 16 VAL H . 16342 1 68 . 1 1 16 16 VAL CA C 13 62.771 0.2 . 1 . . . . 16 VAL CA . 16342 1 69 . 1 1 16 16 VAL CB C 13 32.597 0.2 . 1 . . . . 16 VAL CB . 16342 1 70 . 1 1 16 16 VAL N N 15 125.4 0.2 . 1 . . . . 16 VAL N . 16342 1 71 . 1 1 17 17 ALA H H 1 8.42 0.02 . 1 . . . . 17 ALA H . 16342 1 72 . 1 1 17 17 ALA C C 13 177.7 0.2 . 1 . . . . 17 ALA CO . 16342 1 73 . 1 1 17 17 ALA N N 15 128.3 0.2 . 1 . . . . 17 ALA N . 16342 1 74 . 1 1 18 18 ALA H H 1 8.285 0.02 . 1 . . . . 18 ALA H . 16342 1 75 . 1 1 18 18 ALA C C 13 177.95 0.2 . 1 . . . . 18 ALA CO . 16342 1 76 . 1 1 18 18 ALA CA C 13 52.616 0.2 . 1 . . . . 18 ALA CA . 16342 1 77 . 1 1 18 18 ALA CB C 13 18.946 0.2 . 1 . . . . 18 ALA CB . 16342 1 78 . 1 1 18 18 ALA N N 15 123.6 0.2 . 1 . . . . 18 ALA N . 16342 1 79 . 1 1 19 19 ALA H H 1 8.232 0.02 . 1 . . . . 19 ALA H . 16342 1 80 . 1 1 19 19 ALA C C 13 178.14 0.2 . 1 . . . . 19 ALA CO . 16342 1 81 . 1 1 19 19 ALA CA C 13 52.61 0.2 . 1 . . . . 19 ALA CA . 16342 1 82 . 1 1 19 19 ALA CB C 13 18.881 0.2 . 1 . . . . 19 ALA CB . 16342 1 83 . 1 1 19 19 ALA N N 15 123.1 0.2 . 1 . . . . 19 ALA N . 16342 1 84 . 1 1 20 20 GLU H H 1 8.226 0.02 . 1 . . . . 20 GLU H . 16342 1 85 . 1 1 20 20 GLU C C 13 176.39 0.2 . 1 . . . . 20 GLU CO . 16342 1 86 . 1 1 20 20 GLU CA C 13 55.887 0.2 . 1 . . . . 20 GLU CA . 16342 1 87 . 1 1 20 20 GLU CB C 13 28.666 0.2 . 1 . . . . 20 GLU CB . 16342 1 88 . 1 1 20 20 GLU N N 15 119.6 0.2 . 1 . . . . 20 GLU N . 16342 1 89 . 1 1 21 21 LYS H H 1 8.321 0.02 . 1 . . . . 21 LYS H . 16342 1 90 . 1 1 21 21 LYS C C 13 176.92 0.2 . 1 . . . . 21 LYS CO . 16342 1 91 . 1 1 21 21 LYS CA C 13 56.518 0.2 . 1 . . . . 21 LYS CA . 16342 1 92 . 1 1 21 21 LYS CB C 13 32.678 0.2 . 1 . . . . 21 LYS CB . 16342 1 93 . 1 1 21 21 LYS N N 15 122.7 0.2 . 1 . . . . 21 LYS N . 16342 1 94 . 1 1 22 22 THR H H 1 8.129 0.02 . 1 . . . . 22 THR H . 16342 1 95 . 1 1 22 22 THR C C 13 174.53 0.2 . 1 . . . . 22 THR CO . 16342 1 96 . 1 1 22 22 THR CA C 13 61.927 0.2 . 1 . . . . 22 THR CA . 16342 1 97 . 1 1 22 22 THR CB C 13 69.759 0.2 . 1 . . . . 22 THR CB . 16342 1 98 . 1 1 22 22 THR N N 15 115.6 0.2 . 1 . . . . 22 THR N . 16342 1 99 . 1 1 23 23 LYS H H 1 8.359 0.02 . 1 . . . . 23 LYS H . 16342 1 100 . 1 1 23 23 LYS CA C 13 56.503 0.2 . 1 . . . . 23 LYS CA . 16342 1 101 . 1 1 23 23 LYS CB C 13 32.817 0.2 . 1 . . . . 23 LYS CB . 16342 1 102 . 1 1 23 23 LYS N N 15 123.9 0.2 . 1 . . . . 23 LYS N . 16342 1 103 . 1 1 24 24 GLN C C 13 176.53 0.2 . 1 . . . . 24 GLN CO . 16342 1 104 . 1 1 24 24 GLN CA C 13 55.932 0.2 . 1 . . . . 24 GLN CA . 16342 1 105 . 1 1 24 24 GLN CB C 13 29.018 0.2 . 1 . . . . 24 GLN CB . 16342 1 106 . 1 1 25 25 GLY H H 1 8.443 0.02 . 1 . . . . 25 GLY H . 16342 1 107 . 1 1 25 25 GLY C C 13 174.21 0.2 . 1 . . . . 25 GLY CO . 16342 1 108 . 1 1 25 25 GLY CA C 13 45.297 0.2 . 1 . . . . 25 GLY CA . 16342 1 109 . 1 1 25 25 GLY N N 15 110.7 0.2 . 1 . . . . 25 GLY N . 16342 1 110 . 1 1 26 26 VAL H H 1 8.016 0.02 . 1 . . . . 26 VAL H . 16342 1 111 . 1 1 26 26 VAL C C 13 176.31 0.2 . 1 . . . . 26 VAL CO . 16342 1 112 . 1 1 26 26 VAL CA C 13 62.439 0.2 . 1 . . . . 26 VAL CA . 16342 1 113 . 1 1 26 26 VAL CB C 13 32.619 0.2 . 1 . . . . 26 VAL CB . 16342 1 114 . 1 1 26 26 VAL N N 15 120.1 0.2 . 1 . . . . 26 VAL N . 16342 1 115 . 1 1 27 27 ALA H H 1 8.418 0.02 . 1 . . . . 27 ALA H . 16342 1 116 . 1 1 27 27 ALA C C 13 177.98 0.2 . 1 . . . . 27 ALA CO . 16342 1 117 . 1 1 27 27 ALA CA C 13 52.565 0.2 . 1 . . . . 27 ALA CA . 16342 1 118 . 1 1 27 27 ALA CB C 13 18.903 0.2 . 1 . . . . 27 ALA CB . 16342 1 119 . 1 1 27 27 ALA N N 15 127.6 0.2 . 1 . . . . 27 ALA N . 16342 1 120 . 1 1 28 28 GLU H H 1 8.307 0.02 . 1 . . . . 28 GLU H . 16342 1 121 . 1 1 28 28 GLU C C 13 176.14 0.2 . 1 . . . . 28 GLU CO . 16342 1 122 . 1 1 28 28 GLU CA C 13 55.771 0.2 . 1 . . . . 28 GLU CA . 16342 1 123 . 1 1 28 28 GLU CB C 13 28.72 0.2 . 1 . . . . 28 GLU CB . 16342 1 124 . 1 1 28 28 GLU N N 15 120.3 0.2 . 1 . . . . 28 GLU N . 16342 1 125 . 1 1 29 29 ALA H H 1 8.309 0.02 . 1 . . . . 29 ALA H . 16342 1 126 . 1 1 29 29 ALA CA C 13 52.518 0.2 . 1 . . . . 29 ALA CA . 16342 1 127 . 1 1 29 29 ALA CB C 13 18.965 0.2 . 1 . . . . 29 ALA CB . 16342 1 128 . 1 1 29 29 ALA N N 15 125.4 0.2 . 1 . . . . 29 ALA N . 16342 1 129 . 1 1 30 30 ALA C C 13 178.45 0.2 . 1 . . . . 30 ALA CO . 16342 1 130 . 1 1 30 30 ALA CA C 13 52.596 0.2 . 1 . . . . 30 ALA CA . 16342 1 131 . 1 1 30 30 ALA CB C 13 18.954 0.2 . 1 . . . . 30 ALA CB . 16342 1 132 . 1 1 31 31 GLY H H 1 8.332 0.02 . 1 . . . . 31 GLY H . 16342 1 133 . 1 1 31 31 GLY C C 13 174.22 0.2 . 1 . . . . 31 GLY CO . 16342 1 134 . 1 1 31 31 GLY CA C 13 45.255 0.2 . 1 . . . . 31 GLY CA . 16342 1 135 . 1 1 31 31 GLY N N 15 108.2 0.2 . 1 . . . . 31 GLY N . 16342 1 136 . 1 1 32 32 LYS H H 1 8.158 0.02 . 1 . . . . 32 LYS H . 16342 1 137 . 1 1 32 32 LYS C C 13 177.02 0.2 . 1 . . . . 32 LYS CO . 16342 1 138 . 1 1 32 32 LYS CA C 13 56.109 0.2 . 1 . . . . 32 LYS CA . 16342 1 139 . 1 1 32 32 LYS CB C 13 33.018 0.2 . 1 . . . . 32 LYS CB . 16342 1 140 . 1 1 32 32 LYS N N 15 120.9 0.2 . 1 . . . . 32 LYS N . 16342 1 141 . 1 1 33 33 THR H H 1 8.194 0.02 . 1 . . . . 33 THR H . 16342 1 142 . 1 1 33 33 THR C C 13 174.54 0.2 . 1 . . . . 33 THR CO . 16342 1 143 . 1 1 33 33 THR CA C 13 61.945 0.2 . 1 . . . . 33 THR CA . 16342 1 144 . 1 1 33 33 THR CB C 13 69.762 0.2 . 1 . . . . 33 THR CB . 16342 1 145 . 1 1 33 33 THR N N 15 115.7 0.2 . 1 . . . . 33 THR N . 16342 1 146 . 1 1 34 34 LYS H H 1 8.397 0.02 . 1 . . . . 34 LYS H . 16342 1 147 . 1 1 34 34 LYS CA C 13 56.276 0.2 . 1 . . . . 34 LYS CA . 16342 1 148 . 1 1 34 34 LYS CB C 13 32.832 0.2 . 1 . . . . 34 LYS CB . 16342 1 149 . 1 1 34 34 LYS N N 15 124.1 0.2 . 1 . . . . 34 LYS N . 16342 1 150 . 1 1 35 35 GLU C C 13 176.49 0.2 . 1 . . . . 35 GLU CO . 16342 1 151 . 1 1 35 35 GLU CA C 13 55.89 0.2 . 1 . . . . 35 GLU CA . 16342 1 152 . 1 1 35 35 GLU CB C 13 28.806 0.2 . 1 . . . . 35 GLU CB . 16342 1 153 . 1 1 36 36 GLY H H 1 8.441 0.02 . 1 . . . . 36 GLY H . 16342 1 154 . 1 1 36 36 GLY C C 13 173.94 0.2 . 1 . . . . 36 GLY CO . 16342 1 155 . 1 1 36 36 GLY CA C 13 45.213 0.2 . 1 . . . . 36 GLY CA . 16342 1 156 . 1 1 36 36 GLY N N 15 110.5 0.2 . 1 . . . . 36 GLY N . 16342 1 157 . 1 1 37 37 VAL H H 1 7.97 0.02 . 1 . . . . 37 VAL H . 16342 1 158 . 1 1 37 37 VAL C C 13 175.97 0.2 . 1 . . . . 37 VAL CO . 16342 1 159 . 1 1 37 37 VAL CA C 13 62.387 0.2 . 1 . . . . 37 VAL CA . 16342 1 160 . 1 1 37 37 VAL CB C 13 32.645 0.2 . 1 . . . . 37 VAL CB . 16342 1 161 . 1 1 37 37 VAL N N 15 119.8 0.2 . 1 . . . . 37 VAL N . 16342 1 162 . 1 1 38 38 LEU H H 1 8.284 0.02 . 1 . . . . 38 LEU H . 16342 1 163 . 1 1 38 38 LEU C C 13 176.63 0.2 . 1 . . . . 38 LEU CO . 16342 1 164 . 1 1 38 38 LEU CA C 13 54.589 0.2 . 1 . . . . 38 LEU CA . 16342 1 165 . 1 1 38 38 LEU CB C 13 42.409 0.2 . 1 . . . . 38 LEU CB . 16342 1 166 . 1 1 38 38 LEU N N 15 126.1 0.2 . 1 . . . . 38 LEU N . 16342 1 167 . 1 1 39 39 TYR H H 1 8.27 0.02 . 1 . . . . 39 TYR H . 16342 1 168 . 1 1 39 39 TYR C C 13 175.56 0.2 . 1 . . . . 39 TYR CO . 16342 1 169 . 1 1 39 39 TYR CA C 13 57.773 0.2 . 1 . . . . 39 TYR CA . 16342 1 170 . 1 1 39 39 TYR CB C 13 38.704 0.2 . 1 . . . . 39 TYR CB . 16342 1 171 . 1 1 39 39 TYR N N 15 122.8 0.2 . 1 . . . . 39 TYR N . 16342 1 172 . 1 1 40 40 VAL H H 1 8.072 0.02 . 1 . . . . 40 VAL H . 16342 1 173 . 1 1 40 40 VAL C C 13 176.1 0.2 . 1 . . . . 40 VAL CO . 16342 1 174 . 1 1 40 40 VAL CA C 13 62.095 0.2 . 1 . . . . 40 VAL CA . 16342 1 175 . 1 1 40 40 VAL CB C 13 32.71 0.2 . 1 . . . . 40 VAL CB . 16342 1 176 . 1 1 40 40 VAL N N 15 123.8 0.2 . 1 . . . . 40 VAL N . 16342 1 177 . 1 1 41 41 GLY H H 1 8.032 0.02 . 1 . . . . 41 GLY H . 16342 1 178 . 1 1 41 41 GLY C C 13 173.94 0.2 . 1 . . . . 41 GLY CO . 16342 1 179 . 1 1 41 41 GLY CA C 13 45.089 0.2 . 1 . . . . 41 GLY CA . 16342 1 180 . 1 1 41 41 GLY N N 15 112.4 0.2 . 1 . . . . 41 GLY N . 16342 1 181 . 1 1 42 42 SER H H 1 8.248 0.02 . 1 . . . . 42 SER H . 16342 1 182 . 1 1 42 42 SER C C 13 174.88 0.2 . 1 . . . . 42 SER CO . 16342 1 183 . 1 1 42 42 SER CA C 13 58.168 0.2 . 1 . . . . 42 SER CA . 16342 1 184 . 1 1 42 42 SER CB C 13 63.81 0.2 . 1 . . . . 42 SER CB . 16342 1 185 . 1 1 42 42 SER N N 15 115.8 0.2 . 1 . . . . 42 SER N . 16342 1 186 . 1 1 43 43 LYS H H 1 8.503 0.02 . 1 . . . . 43 LYS H . 16342 1 187 . 1 1 43 43 LYS C C 13 176.99 0.2 . 1 . . . . 43 LYS CO . 16342 1 188 . 1 1 43 43 LYS CA C 13 56.382 0.2 . 1 . . . . 43 LYS CA . 16342 1 189 . 1 1 43 43 LYS CB C 13 32.85 0.2 . 1 . . . . 43 LYS CB . 16342 1 190 . 1 1 43 43 LYS N N 15 123.7 0.2 . 1 . . . . 43 LYS N . 16342 1 191 . 1 1 44 44 THR H H 1 8.143 0.02 . 1 . . . . 44 THR H . 16342 1 192 . 1 1 44 44 THR C C 13 174.54 0.2 . 1 . . . . 44 THR CO . 16342 1 193 . 1 1 44 44 THR CA C 13 61.993 0.2 . 1 . . . . 44 THR CA . 16342 1 194 . 1 1 44 44 THR CB C 13 69.803 0.2 . 1 . . . . 44 THR CB . 16342 1 195 . 1 1 44 44 THR N N 15 115.6 0.2 . 1 . . . . 44 THR N . 16342 1 196 . 1 1 45 45 LYS H H 1 8.444 0.02 . 1 . . . . 45 LYS H . 16342 1 197 . 1 1 45 45 LYS C C 13 176.44 0.2 . 1 . . . . 45 LYS CO . 16342 1 198 . 1 1 45 45 LYS CA C 13 56.496 0.2 . 1 . . . . 45 LYS CA . 16342 1 199 . 1 1 45 45 LYS CB C 13 32.627 0.2 . 1 . . . . 45 LYS CB . 16342 1 200 . 1 1 45 45 LYS N N 15 124.2 0.2 . 1 . . . . 45 LYS N . 16342 1 201 . 1 1 46 46 GLU H H 1 8.389 0.02 . 1 . . . . 46 GLU H . 16342 1 202 . 1 1 46 46 GLU CA C 13 55.89 0.2 . 1 . . . . 46 GLU CA . 16342 1 203 . 1 1 46 46 GLU CB C 13 28.806 0.2 . 1 . . . . 46 GLU CB . 16342 1 204 . 1 1 46 46 GLU N N 15 121.9 0.2 . 1 . . . . 46 GLU N . 16342 1 205 . 1 1 47 47 GLY C C 13 173.77 0.2 . 1 . . . . 47 GLY CO . 16342 1 206 . 1 1 47 47 GLY CA C 13 45.269 0.2 . 1 . . . . 47 GLY CA . 16342 1 207 . 1 1 48 48 VAL H H 1 7.988 0.02 . 1 . . . . 48 VAL H . 16342 1 208 . 1 1 48 48 VAL C C 13 176.14 0.2 . 1 . . . . 48 VAL CO . 16342 1 209 . 1 1 48 48 VAL CA C 13 62.223 0.2 . 1 . . . . 48 VAL CA . 16342 1 210 . 1 1 48 48 VAL CB C 13 32.607 0.2 . 1 . . . . 48 VAL CB . 16342 1 211 . 1 1 48 48 VAL N N 15 120.1 0.2 . 1 . . . . 48 VAL N . 16342 1 212 . 1 1 49 49 VAL H H 1 8.305 0.02 . 1 . . . . 49 VAL H . 16342 1 213 . 1 1 49 49 VAL C C 13 175.92 0.2 . 1 . . . . 49 VAL CO . 16342 1 214 . 1 1 49 49 VAL CA C 13 62.139 0.2 . 1 . . . . 49 VAL CA . 16342 1 215 . 1 1 49 49 VAL CB C 13 32.66 0.2 . 1 . . . . 49 VAL CB . 16342 1 216 . 1 1 49 49 VAL N N 15 125.5 0.2 . 1 . . . . 49 VAL N . 16342 1 217 . 1 1 50 50 HIS H H 1 8.722 0.02 . 1 . . . . 50 HIS H . 16342 1 218 . 1 1 50 50 HIS C C 13 174.65 0.2 . 1 . . . . 50 HIS CO . 16342 1 219 . 1 1 50 50 HIS CA C 13 54.981 0.2 . 1 . . . . 50 HIS CA . 16342 1 220 . 1 1 50 50 HIS CB C 13 29.109 0.2 . 1 . . . . 50 HIS CB . 16342 1 221 . 1 1 50 50 HIS N N 15 123.6 0.2 . 1 . . . . 50 HIS N . 16342 1 222 . 1 1 51 51 GLY H H 1 8.482 0.02 . 1 . . . . 51 GLY H . 16342 1 223 . 1 1 51 51 GLY C C 13 173.67 0.2 . 1 . . . . 51 GLY CO . 16342 1 224 . 1 1 51 51 GLY CA C 13 45.074 0.2 . 1 . . . . 51 GLY CA . 16342 1 225 . 1 1 51 51 GLY N N 15 110.9 0.2 . 1 . . . . 51 GLY N . 16342 1 226 . 1 1 52 52 VAL H H 1 8.122 0.02 . 1 . . . . 52 VAL H . 16342 1 227 . 1 1 52 52 VAL C C 13 175.95 0.2 . 1 . . . . 52 VAL CO . 16342 1 228 . 1 1 52 52 VAL CA C 13 61.927 0.2 . 1 . . . . 52 VAL CA . 16342 1 229 . 1 1 52 52 VAL CB C 13 32.922 0.2 . 1 . . . . 52 VAL CB . 16342 1 230 . 1 1 52 52 VAL N N 15 119.9 0.2 . 1 . . . . 52 VAL N . 16342 1 231 . 1 1 53 53 ALA H H 1 8.511 0.02 . 1 . . . . 53 ALA H . 16342 1 232 . 1 1 53 53 ALA C C 13 177.85 0.2 . 1 . . . . 53 ALA CO . 16342 1 233 . 1 1 53 53 ALA CA C 13 52.246 0.2 . 1 . . . . 53 ALA CA . 16342 1 234 . 1 1 53 53 ALA CB C 13 19.108 0.2 . 1 . . . . 53 ALA CB . 16342 1 235 . 1 1 53 53 ALA N N 15 128.6 0.2 . 1 . . . . 53 ALA N . 16342 1 236 . 1 1 54 54 THR H H 1 8.189 0.02 . 1 . . . . 54 THR H . 16342 1 237 . 1 1 54 54 THR C C 13 175.89 0.2 . 1 . . . . 54 THR CO . 16342 1 238 . 1 1 54 54 THR CA C 13 61.725 0.2 . 1 . . . . 54 THR CA . 16342 1 239 . 1 1 54 54 THR CB C 13 69.858 0.2 . 1 . . . . 54 THR CB . 16342 1 240 . 1 1 54 54 THR N N 15 115 0.2 . 1 . . . . 54 THR N . 16342 1 241 . 1 1 55 55 VAL H H 1 8.236 0.02 . 1 . . . . 55 VAL H . 16342 1 242 . 1 1 55 55 VAL C C 13 176.3 0.2 . 1 . . . . 55 VAL CO . 16342 1 243 . 1 1 55 55 VAL CA C 13 62.432 0.2 . 1 . . . . 55 VAL CA . 16342 1 244 . 1 1 55 55 VAL CB C 13 32.612 0.2 . 1 . . . . 55 VAL CB . 16342 1 245 . 1 1 55 55 VAL N N 15 123.2 0.2 . 1 . . . . 55 VAL N . 16342 1 246 . 1 1 56 56 ALA H H 1 8.422 0.02 . 1 . . . . 56 ALA H . 16342 1 247 . 1 1 56 56 ALA C C 13 177.85 0.2 . 1 . . . . 56 ALA CO . 16342 1 248 . 1 1 56 56 ALA CA C 13 52.448 0.2 . 1 . . . . 56 ALA CA . 16342 1 249 . 1 1 56 56 ALA CB C 13 18.954 0.2 . 1 . . . . 56 ALA CB . 16342 1 250 . 1 1 56 56 ALA N N 15 127.9 0.2 . 1 . . . . 56 ALA N . 16342 1 251 . 1 1 57 57 GLU H H 1 8.305 0.02 . 1 . . . . 57 GLU H . 16342 1 252 . 1 1 57 57 GLU C C 13 176.37 0.2 . 1 . . . . 57 GLU CO . 16342 1 253 . 1 1 57 57 GLU CA C 13 55.742 0.2 . 1 . . . . 57 GLU CA . 16342 1 254 . 1 1 57 57 GLU CB C 13 28.718 0.2 . 1 . . . . 57 GLU CB . 16342 1 255 . 1 1 57 57 GLU N N 15 120.3 0.2 . 1 . . . . 57 GLU N . 16342 1 256 . 1 1 58 58 LYS H H 1 8.429 0.02 . 1 . . . . 58 LYS H . 16342 1 257 . 1 1 58 58 LYS C C 13 176.95 0.2 . 1 . . . . 58 LYS CO . 16342 1 258 . 1 1 58 58 LYS CA C 13 56.108 0.2 . 1 . . . . 58 LYS CA . 16342 1 259 . 1 1 58 58 LYS CB C 13 32.949 0.2 . 1 . . . . 58 LYS CB . 16342 1 260 . 1 1 58 58 LYS N N 15 123 0.2 . 1 . . . . 58 LYS N . 16342 1 261 . 1 1 59 59 THR H H 1 8.172 0.02 . 1 . . . . 59 THR H . 16342 1 262 . 1 1 59 59 THR C C 13 174.52 0.2 . 1 . . . . 59 THR CO . 16342 1 263 . 1 1 59 59 THR CA C 13 61.989 0.2 . 1 . . . . 59 THR CA . 16342 1 264 . 1 1 59 59 THR CB C 13 69.83 0.2 . 1 . . . . 59 THR CB . 16342 1 265 . 1 1 59 59 THR N N 15 116 0.2 . 1 . . . . 59 THR N . 16342 1 266 . 1 1 60 60 LYS H H 1 8.398 0.02 . 1 . . . . 60 LYS H . 16342 1 267 . 1 1 60 60 LYS C C 13 176.69 0.2 . 1 . . . . 60 LYS CO . 16342 1 268 . 1 1 60 60 LYS CA C 13 56.289 0.2 . 1 . . . . 60 LYS CA . 16342 1 269 . 1 1 60 60 LYS CB C 13 32.773 0.2 . 1 . . . . 60 LYS CB . 16342 1 270 . 1 1 60 60 LYS N N 15 124.4 0.2 . 1 . . . . 60 LYS N . 16342 1 271 . 1 1 61 61 GLU H H 1 8.39 0.02 . 1 . . . . 61 GLU H . 16342 1 272 . 1 1 61 61 GLU C C 13 175.31 0.2 . 1 . . . . 61 GLU CO . 16342 1 273 . 1 1 61 61 GLU CA C 13 55.628 0.2 . 1 . . . . 61 GLU CA . 16342 1 274 . 1 1 61 61 GLU CB C 13 28.583 0.2 . 1 . . . . 61 GLU CB . 16342 1 275 . 1 1 61 61 GLU N N 15 122 0.2 . 1 . . . . 61 GLU N . 16342 1 276 . 1 1 62 62 GLN H H 1 8.375 0.02 . 1 . . . . 62 GLN H . 16342 1 277 . 1 1 62 62 GLN C C 13 175.86 0.2 . 1 . . . . 62 GLN CO . 16342 1 278 . 1 1 62 62 GLN CA C 13 56.038 0.2 . 1 . . . . 62 GLN CA . 16342 1 279 . 1 1 62 62 GLN CB C 13 29.19 0.2 . 1 . . . . 62 GLN CB . 16342 1 280 . 1 1 62 62 GLN N N 15 121.1 0.2 . 1 . . . . 62 GLN N . 16342 1 281 . 1 1 63 63 VAL H H 1 8.297 0.02 . 1 . . . . 63 VAL H . 16342 1 282 . 1 1 63 63 VAL C C 13 176.3 0.2 . 1 . . . . 63 VAL CO . 16342 1 283 . 1 1 63 63 VAL CA C 13 61.974 0.2 . 1 . . . . 63 VAL CA . 16342 1 284 . 1 1 63 63 VAL CB C 13 32.689 0.2 . 1 . . . . 63 VAL CB . 16342 1 285 . 1 1 63 63 VAL N N 15 122.2 0.2 . 1 . . . . 63 VAL N . 16342 1 286 . 1 1 64 64 THR H H 1 8.299 0.02 . 1 . . . . 64 THR H . 16342 1 287 . 1 1 64 64 THR C C 13 173.99 0.2 . 1 . . . . 64 THR CO . 16342 1 288 . 1 1 64 64 THR CA C 13 61.723 0.2 . 1 . . . . 64 THR CA . 16342 1 289 . 1 1 64 64 THR CB C 13 69.819 0.2 . 1 . . . . 64 THR CB . 16342 1 290 . 1 1 64 64 THR N N 15 118.4 0.2 . 1 . . . . 64 THR N . 16342 1 291 . 1 1 65 65 ASN H H 1 8.53 0.02 . 1 . . . . 65 ASN H . 16342 1 292 . 1 1 65 65 ASN CA C 13 52.943 0.2 . 1 . . . . 65 ASN CA . 16342 1 293 . 1 1 65 65 ASN CB C 13 38.842 0.2 . 1 . . . . 65 ASN CB . 16342 1 294 . 1 1 65 65 ASN N N 15 122.1 0.2 . 1 . . . . 65 ASN N . 16342 1 295 . 1 1 66 66 VAL H H 1 8.266 0.02 . 1 . . . . 66 VAL H . 16342 1 296 . 1 1 66 66 VAL C C 13 176.84 0.2 . 1 . . . . 66 VAL CO . 16342 1 297 . 1 1 66 66 VAL CA C 13 62.63 0.2 . 1 . . . . 66 VAL CA . 16342 1 298 . 1 1 66 66 VAL CB C 13 32.47 0.2 . 1 . . . . 66 VAL CB . 16342 1 299 . 1 1 66 66 VAL N N 15 121.4 0.2 . 1 . . . . 66 VAL N . 16342 1 300 . 1 1 67 67 GLY H H 1 8.557 0.02 . 1 . . . . 67 GLY H . 16342 1 301 . 1 1 67 67 GLY C C 13 174.63 0.2 . 1 . . . . 67 GLY CO . 16342 1 302 . 1 1 67 67 GLY CA C 13 45.26 0.2 . 1 . . . . 67 GLY CA . 16342 1 303 . 1 1 67 67 GLY N N 15 112.9 0.2 . 1 . . . . 67 GLY N . 16342 1 304 . 1 1 68 68 GLY H H 1 8.234 0.02 . 1 . . . . 68 GLY H . 16342 1 305 . 1 1 68 68 GLY C C 13 173.7 0.2 . 1 . . . . 68 GLY CO . 16342 1 306 . 1 1 68 68 GLY CA C 13 44.991 0.2 . 1 . . . . 68 GLY CA . 16342 1 307 . 1 1 68 68 GLY N N 15 109.1 0.2 . 1 . . . . 68 GLY N . 16342 1 308 . 1 1 69 69 ALA H H 1 8.168 0.02 . 1 . . . . 69 ALA H . 16342 1 309 . 1 1 69 69 ALA C C 13 177.64 0.2 . 1 . . . . 69 ALA CO . 16342 1 310 . 1 1 69 69 ALA CA C 13 52.15 0.2 . 1 . . . . 69 ALA CA . 16342 1 311 . 1 1 69 69 ALA CB C 13 19.265 0.2 . 1 . . . . 69 ALA CB . 16342 1 312 . 1 1 69 69 ALA N N 15 124 0.2 . 1 . . . . 69 ALA N . 16342 1 313 . 1 1 70 70 VAL H H 1 8.229 0.02 . 1 . . . . 70 VAL H . 16342 1 314 . 1 1 70 70 VAL C C 13 176.33 0.2 . 1 . . . . 70 VAL CO . 16342 1 315 . 1 1 70 70 VAL N N 15 120.8 0.2 . 1 . . . . 70 VAL N . 16342 1 316 . 1 1 71 71 VAL H H 1 8.404 0.02 . 1 . . . . 71 VAL H . 16342 1 317 . 1 1 71 71 VAL C C 13 176.26 0.2 . 1 . . . . 71 VAL CO . 16342 1 318 . 1 1 71 71 VAL CA C 13 62.238 0.2 . 1 . . . . 71 VAL CA . 16342 1 319 . 1 1 71 71 VAL CB C 13 32.652 0.2 . 1 . . . . 71 VAL CB . 16342 1 320 . 1 1 71 71 VAL N N 15 125.8 0.2 . 1 . . . . 71 VAL N . 16342 1 321 . 1 1 72 72 THR H H 1 8.32 0.02 . 1 . . . . 72 THR H . 16342 1 322 . 1 1 72 72 THR C C 13 174.88 0.2 . 1 . . . . 72 THR CO . 16342 1 323 . 1 1 72 72 THR CA C 13 61.885 0.2 . 1 . . . . 72 THR CA . 16342 1 324 . 1 1 72 72 THR CB C 13 69.755 0.2 . 1 . . . . 72 THR CB . 16342 1 325 . 1 1 72 72 THR N N 15 119 0.2 . 1 . . . . 72 THR N . 16342 1 326 . 1 1 73 73 GLY H H 1 8.438 0.02 . 1 . . . . 73 GLY H . 16342 1 327 . 1 1 73 73 GLY C C 13 173.97 0.2 . 1 . . . . 73 GLY CO . 16342 1 328 . 1 1 73 73 GLY CA C 13 45.18 0.2 . 1 . . . . 73 GLY CA . 16342 1 329 . 1 1 73 73 GLY N N 15 111.6 0.2 . 1 . . . . 73 GLY N . 16342 1 330 . 1 1 74 74 VAL H H 1 8.089 0.02 . 1 . . . . 74 VAL H . 16342 1 331 . 1 1 74 74 VAL C C 13 176.55 0.2 . 1 . . . . 74 VAL CO . 16342 1 332 . 1 1 74 74 VAL CA C 13 61.901 0.2 . 1 . . . . 74 VAL CA . 16342 1 333 . 1 1 74 74 VAL CB C 13 32.66 0.2 . 1 . . . . 74 VAL CB . 16342 1 334 . 1 1 74 74 VAL N N 15 119.8 0.2 . 1 . . . . 74 VAL N . 16342 1 335 . 1 1 75 75 THR H H 1 8.305 0.02 . 1 . . . . 75 THR H . 16342 1 336 . 1 1 75 75 THR C C 13 174.05 0.2 . 1 . . . . 75 THR CO . 16342 1 337 . 1 1 75 75 THR CA C 13 62.018 0.2 . 1 . . . . 75 THR CA . 16342 1 338 . 1 1 75 75 THR CB C 13 69.762 0.2 . 1 . . . . 75 THR CB . 16342 1 339 . 1 1 75 75 THR N N 15 119.3 0.2 . 1 . . . . 75 THR N . 16342 1 340 . 1 1 76 76 ALA H H 1 8.377 0.02 . 1 . . . . 76 ALA H . 16342 1 341 . 1 1 76 76 ALA C C 13 177.58 0.2 . 1 . . . . 76 ALA CO . 16342 1 342 . 1 1 76 76 ALA CA C 13 52.214 0.2 . 1 . . . . 76 ALA CA . 16342 1 343 . 1 1 76 76 ALA CB C 13 19.276 0.2 . 1 . . . . 76 ALA CB . 16342 1 344 . 1 1 76 76 ALA N N 15 127.7 0.2 . 1 . . . . 76 ALA N . 16342 1 345 . 1 1 77 77 VAL H H 1 8.151 0.02 . 1 . . . . 77 VAL H . 16342 1 346 . 1 1 77 77 VAL C C 13 176.04 0.2 . 1 . . . . 77 VAL CO . 16342 1 347 . 1 1 77 77 VAL CA C 13 62.425 0.2 . 1 . . . . 77 VAL CA . 16342 1 348 . 1 1 77 77 VAL CB C 13 32.627 0.2 . 1 . . . . 77 VAL CB . 16342 1 349 . 1 1 77 77 VAL N N 15 120.4 0.2 . 1 . . . . 77 VAL N . 16342 1 350 . 1 1 78 78 ALA H H 1 8.418 0.02 . 1 . . . . 78 ALA H . 16342 1 351 . 1 1 78 78 ALA C C 13 177.66 0.2 . 1 . . . . 78 ALA CO . 16342 1 352 . 1 1 78 78 ALA CA C 13 52.426 0.2 . 1 . . . . 78 ALA CA . 16342 1 353 . 1 1 78 78 ALA CB C 13 18.939 0.2 . 1 . . . . 78 ALA CB . 16342 1 354 . 1 1 78 78 ALA N N 15 128.3 0.2 . 1 . . . . 78 ALA N . 16342 1 355 . 1 1 79 79 GLN H H 1 8.394 0.02 . 1 . . . . 79 GLN H . 16342 1 356 . 1 1 79 79 GLN C C 13 176.01 0.2 . 1 . . . . 79 GLN CO . 16342 1 357 . 1 1 79 79 GLN CA C 13 55.632 0.2 . 1 . . . . 79 GLN CA . 16342 1 358 . 1 1 79 79 GLN CB C 13 29.573 0.2 . 1 . . . . 79 GLN CB . 16342 1 359 . 1 1 79 79 GLN N N 15 120.6 0.2 . 1 . . . . 79 GLN N . 16342 1 360 . 1 1 80 80 LYS H H 1 8.431 0.02 . 1 . . . . 80 LYS H . 16342 1 361 . 1 1 80 80 LYS C C 13 176.68 0.2 . 1 . . . . 80 LYS CO . 16342 1 362 . 1 1 80 80 LYS CA C 13 56.183 0.2 . 1 . . . . 80 LYS CA . 16342 1 363 . 1 1 80 80 LYS CB C 13 33.031 0.2 . 1 . . . . 80 LYS CB . 16342 1 364 . 1 1 80 80 LYS N N 15 123.4 0.2 . 1 . . . . 80 LYS N . 16342 1 365 . 1 1 81 81 THR H H 1 8.259 0.02 . 1 . . . . 81 THR H . 16342 1 366 . 1 1 81 81 THR C C 13 174.38 0.2 . 1 . . . . 81 THR CO . 16342 1 367 . 1 1 81 81 THR CA C 13 61.884 0.2 . 1 . . . . 81 THR CA . 16342 1 368 . 1 1 81 81 THR CB C 13 69.836 0.2 . 1 . . . . 81 THR CB . 16342 1 369 . 1 1 81 81 THR N N 15 117 0.2 . 1 . . . . 81 THR N . 16342 1 370 . 1 1 82 82 VAL H H 1 8.309 0.02 . 1 . . . . 82 VAL H . 16342 1 371 . 1 1 82 82 VAL C C 13 176.08 0.2 . 1 . . . . 82 VAL CO . 16342 1 372 . 1 1 82 82 VAL CA C 13 62.296 0.2 . 1 . . . . 82 VAL CA . 16342 1 373 . 1 1 82 82 VAL CB C 13 32.669 0.2 . 1 . . . . 82 VAL CB . 16342 1 374 . 1 1 82 82 VAL N N 15 123.6 0.2 . 1 . . . . 82 VAL N . 16342 1 375 . 1 1 83 83 GLU H H 1 8.514 0.02 . 1 . . . . 83 GLU H . 16342 1 376 . 1 1 83 83 GLU C C 13 176.51 0.2 . 1 . . . . 83 GLU CO . 16342 1 377 . 1 1 83 83 GLU CA C 13 55.727 0.2 . 1 . . . . 83 GLU CA . 16342 1 378 . 1 1 83 83 GLU CB C 13 28.701 0.2 . 1 . . . . 83 GLU CB . 16342 1 379 . 1 1 83 83 GLU N N 15 124.9 0.2 . 1 . . . . 83 GLU N . 16342 1 380 . 1 1 84 84 GLY H H 1 8.5 0.02 . 1 . . . . 84 GLY H . 16342 1 381 . 1 1 84 84 GLY C C 13 173.98 0.2 . 1 . . . . 84 GLY CO . 16342 1 382 . 1 1 84 84 GLY CA C 13 45.121 0.2 . 1 . . . . 84 GLY CA . 16342 1 383 . 1 1 84 84 GLY N N 15 111 0.2 . 1 . . . . 84 GLY N . 16342 1 384 . 1 1 85 85 ALA H H 1 8.306 0.02 . 1 . . . . 85 ALA H . 16342 1 385 . 1 1 85 85 ALA C C 13 178.5 0.2 . 1 . . . . 85 ALA CO . 16342 1 386 . 1 1 85 85 ALA CA C 13 52.683 0.2 . 1 . . . . 85 ALA CA . 16342 1 387 . 1 1 85 85 ALA CB C 13 19.015 0.2 . 1 . . . . 85 ALA CB . 16342 1 388 . 1 1 85 85 ALA N N 15 124.3 0.2 . 1 . . . . 85 ALA N . 16342 1 389 . 1 1 86 86 GLY H H 1 8.51 0.02 . 1 . . . . 86 GLY H . 16342 1 390 . 1 1 86 86 GLY C C 13 174.27 0.2 . 1 . . . . 86 GLY CO . 16342 1 391 . 1 1 86 86 GLY CA C 13 45.226 0.2 . 1 . . . . 86 GLY CA . 16342 1 392 . 1 1 86 86 GLY N N 15 108.5 0.2 . 1 . . . . 86 GLY N . 16342 1 393 . 1 1 87 87 SER H H 1 8.145 0.02 . 1 . . . . 87 SER H . 16342 1 394 . 1 1 87 87 SER C C 13 174.66 0.2 . 1 . . . . 87 SER CO . 16342 1 395 . 1 1 87 87 SER CA C 13 58.22 0.2 . 1 . . . . 87 SER CA . 16342 1 396 . 1 1 87 87 SER CB C 13 63.826 0.2 . 1 . . . . 87 SER CB . 16342 1 397 . 1 1 87 87 SER N N 15 116 0.2 . 1 . . . . 87 SER N . 16342 1 398 . 1 1 88 88 ILE H H 1 8.189 0.02 . 1 . . . . 88 ILE H . 16342 1 399 . 1 1 88 88 ILE C C 13 176.26 0.2 . 1 . . . . 88 ILE CO . 16342 1 400 . 1 1 88 88 ILE CA C 13 61.266 0.2 . 1 . . . . 88 ILE CA . 16342 1 401 . 1 1 88 88 ILE CB C 13 38.512 0.2 . 1 . . . . 88 ILE CB . 16342 1 402 . 1 1 88 88 ILE N N 15 123.1 0.2 . 1 . . . . 88 ILE N . 16342 1 403 . 1 1 89 89 ALA H H 1 8.347 0.02 . 1 . . . . 89 ALA H . 16342 1 404 . 1 1 89 89 ALA C C 13 177.55 0.2 . 1 . . . . 89 ALA CO . 16342 1 405 . 1 1 89 89 ALA CA C 13 52.489 0.2 . 1 . . . . 89 ALA CA . 16342 1 406 . 1 1 89 89 ALA CB C 13 18.928 0.2 . 1 . . . . 89 ALA CB . 16342 1 407 . 1 1 89 89 ALA N N 15 128.3 0.2 . 1 . . . . 89 ALA N . 16342 1 408 . 1 1 90 90 ALA H H 1 8.209 0.02 . 1 . . . . 90 ALA H . 16342 1 409 . 1 1 90 90 ALA C C 13 177.65 0.2 . 1 . . . . 90 ALA CO . 16342 1 410 . 1 1 90 90 ALA CA C 13 52.488 0.2 . 1 . . . . 90 ALA CA . 16342 1 411 . 1 1 90 90 ALA CB C 13 18.973 0.2 . 1 . . . . 90 ALA CB . 16342 1 412 . 1 1 90 90 ALA N N 15 123.6 0.2 . 1 . . . . 90 ALA N . 16342 1 413 . 1 1 91 91 ALA H H 1 8.273 0.02 . 1 . . . . 91 ALA H . 16342 1 414 . 1 1 91 91 ALA C C 13 178.12 0.2 . 1 . . . . 91 ALA CO . 16342 1 415 . 1 1 91 91 ALA CA C 13 52.564 0.2 . 1 . . . . 91 ALA CA . 16342 1 416 . 1 1 91 91 ALA CB C 13 18.946 0.2 . 1 . . . . 91 ALA CB . 16342 1 417 . 1 1 91 91 ALA N N 15 123.6 0.2 . 1 . . . . 91 ALA N . 16342 1 418 . 1 1 92 92 THR H H 1 8.087 0.02 . 1 . . . . 92 THR H . 16342 1 419 . 1 1 92 92 THR C C 13 175.15 0.2 . 1 . . . . 92 THR CO . 16342 1 420 . 1 1 92 92 THR CA C 13 61.931 0.2 . 1 . . . . 92 THR CA . 16342 1 421 . 1 1 92 92 THR CB C 13 69.772 0.2 . 1 . . . . 92 THR CB . 16342 1 422 . 1 1 92 92 THR N N 15 112.9 0.2 . 1 . . . . 92 THR N . 16342 1 423 . 1 1 93 93 GLY H H 1 8.302 0.02 . 1 . . . . 93 GLY H . 16342 1 424 . 1 1 93 93 GLY C C 13 173.65 0.2 . 1 . . . . 93 GLY CO . 16342 1 425 . 1 1 93 93 GLY CA C 13 45.175 0.2 . 1 . . . . 93 GLY CA . 16342 1 426 . 1 1 93 93 GLY N N 15 110.9 0.2 . 1 . . . . 93 GLY N . 16342 1 427 . 1 1 94 94 PHE H H 1 8.088 0.02 . 1 . . . . 94 PHE H . 16342 1 428 . 1 1 94 94 PHE C C 13 175.53 0.2 . 1 . . . . 94 PHE CO . 16342 1 429 . 1 1 94 94 PHE CA C 13 57.7 0.2 . 1 . . . . 94 PHE CA . 16342 1 430 . 1 1 94 94 PHE CB C 13 39.56 0.2 . 1 . . . . 94 PHE CB . 16342 1 431 . 1 1 94 94 PHE N N 15 120.6 0.2 . 1 . . . . 94 PHE N . 16342 1 432 . 1 1 95 95 VAL H H 1 8.033 0.02 . 1 . . . . 95 VAL H . 16342 1 433 . 1 1 95 95 VAL C C 13 175.57 0.2 . 1 . . . . 95 VAL CO . 16342 1 434 . 1 1 95 95 VAL CA C 13 62.092 0.2 . 1 . . . . 95 VAL CA . 16342 1 435 . 1 1 95 95 VAL CB C 13 32.93 0.2 . 1 . . . . 95 VAL CB . 16342 1 436 . 1 1 95 95 VAL N N 15 123.7 0.2 . 1 . . . . 95 VAL N . 16342 1 437 . 1 1 96 96 LYS H H 1 8.365 0.02 . 1 . . . . 96 LYS H . 16342 1 438 . 1 1 96 96 LYS C C 13 176.54 0.2 . 1 . . . . 96 LYS CO . 16342 1 439 . 1 1 96 96 LYS CA C 13 56.352 0.2 . 1 . . . . 96 LYS CA . 16342 1 440 . 1 1 96 96 LYS CB C 13 32.904 0.2 . 1 . . . . 96 LYS CB . 16342 1 441 . 1 1 96 96 LYS N N 15 126.3 0.2 . 1 . . . . 96 LYS N . 16342 1 442 . 1 1 97 97 LYS H H 1 8.409 0.02 . 1 . . . . 97 LYS H . 16342 1 443 . 1 1 97 97 LYS C C 13 176.45 0.2 . 1 . . . . 97 LYS CO . 16342 1 444 . 1 1 97 97 LYS CA C 13 56.443 0.2 . 1 . . . . 97 LYS CA . 16342 1 445 . 1 1 97 97 LYS CB C 13 32.996 0.2 . 1 . . . . 97 LYS CB . 16342 1 446 . 1 1 97 97 LYS N N 15 123.4 0.2 . 1 . . . . 97 LYS N . 16342 1 447 . 1 1 98 98 ASP H H 1 8.497 0.02 . 1 . . . . 98 ASP H . 16342 1 448 . 1 1 98 98 ASP C C 13 176.05 0.2 . 1 . . . . 98 ASP CO . 16342 1 449 . 1 1 98 98 ASP CA C 13 53.016 0.2 . 1 . . . . 98 ASP CA . 16342 1 450 . 1 1 98 98 ASP CB C 13 38.093 0.2 . 1 . . . . 98 ASP CB . 16342 1 451 . 1 1 98 98 ASP N N 15 120.3 0.2 . 1 . . . . 98 ASP N . 16342 1 452 . 1 1 99 99 GLN H H 1 8.363 0.02 . 1 . . . . 99 GLN H . 16342 1 453 . 1 1 99 99 GLN C C 13 174.6 0.2 . 1 . . . . 99 GLN CO . 16342 1 454 . 1 1 99 99 GLN CA C 13 55.859 0.2 . 1 . . . . 99 GLN CA . 16342 1 455 . 1 1 99 99 GLN CB C 13 29.161 0.2 . 1 . . . . 99 GLN CB . 16342 1 456 . 1 1 99 99 GLN N N 15 121.1 0.2 . 1 . . . . 99 GLN N . 16342 1 457 . 1 1 100 100 LEU H H 1 8.245 0.02 . 1 . . . . 100 LEU H . 16342 1 458 . 1 1 100 100 LEU C C 13 177.9 0.2 . 1 . . . . 100 LEU CO . 16342 1 459 . 1 1 100 100 LEU CA C 13 55.208 0.2 . 1 . . . . 100 LEU CA . 16342 1 460 . 1 1 100 100 LEU CB C 13 42.267 0.2 . 1 . . . . 100 LEU CB . 16342 1 461 . 1 1 100 100 LEU N N 15 123.3 0.2 . 1 . . . . 100 LEU N . 16342 1 462 . 1 1 101 101 GLY H H 1 8.391 0.02 . 1 . . . . 101 GLY H . 16342 1 463 . 1 1 101 101 GLY C C 13 174.18 0.2 . 1 . . . . 101 GLY CO . 16342 1 464 . 1 1 101 101 GLY CA C 13 45.234 0.2 . 1 . . . . 101 GLY CA . 16342 1 465 . 1 1 101 101 GLY N N 15 109.9 0.2 . 1 . . . . 101 GLY N . 16342 1 466 . 1 1 102 102 LYS H H 1 8.191 0.02 . 1 . . . . 102 LYS H . 16342 1 467 . 1 1 102 102 LYS C C 13 176.53 0.2 . 1 . . . . 102 LYS CO . 16342 1 468 . 1 1 102 102 LYS CA C 13 56.212 0.2 . 1 . . . . 102 LYS CA . 16342 1 469 . 1 1 102 102 LYS CB C 13 32.991 0.2 . 1 . . . . 102 LYS CB . 16342 1 470 . 1 1 102 102 LYS N N 15 120.9 0.2 . 1 . . . . 102 LYS N . 16342 1 471 . 1 1 103 103 ASN H H 1 8.563 0.02 . 1 . . . . 103 ASN H . 16342 1 472 . 1 1 103 103 ASN C C 13 175.28 0.2 . 1 . . . . 103 ASN CO . 16342 1 473 . 1 1 103 103 ASN CA C 13 53.182 0.2 . 1 . . . . 103 ASN CA . 16342 1 474 . 1 1 103 103 ASN CB C 13 38.467 0.2 . 1 . . . . 103 ASN CB . 16342 1 475 . 1 1 103 103 ASN N N 15 119.6 0.2 . 1 . . . . 103 ASN N . 16342 1 476 . 1 1 104 104 GLU H H 1 8.333 0.02 . 1 . . . . 104 GLU H . 16342 1 477 . 1 1 104 104 GLU C C 13 175.92 0.2 . 1 . . . . 104 GLU CO . 16342 1 478 . 1 1 104 104 GLU N N 15 120.8 0.2 . 1 . . . . 104 GLU N . 16342 1 479 . 1 1 105 105 GLU H H 1 8.427 0.02 . 1 . . . . 105 GLU H . 16342 1 480 . 1 1 105 105 GLU C C 13 176.5 0.2 . 1 . . . . 105 GLU CO . 16342 1 481 . 1 1 105 105 GLU CA C 13 55.89 0.2 . 1 . . . . 105 GLU CA . 16342 1 482 . 1 1 105 105 GLU CB C 13 28.806 0.2 . 1 . . . . 105 GLU CB . 16342 1 483 . 1 1 105 105 GLU N N 15 122.4 0.2 . 1 . . . . 105 GLU N . 16342 1 484 . 1 1 106 106 GLY H H 1 8.428 0.02 . 1 . . . . 106 GLY H . 16342 1 485 . 1 1 106 106 GLY C C 13 173.31 0.2 . 1 . . . . 106 GLY CO . 16342 1 486 . 1 1 106 106 GLY CA C 13 44.892 0.2 . 1 . . . . 106 GLY CA . 16342 1 487 . 1 1 106 106 GLY N N 15 110.6 0.2 . 1 . . . . 106 GLY N . 16342 1 488 . 1 1 107 107 ALA H H 1 8.114 0.02 . 1 . . . . 107 ALA H . 16342 1 489 . 1 1 107 107 ALA CA C 13 50.491 0.2 . 1 . . . . 107 ALA CA . 16342 1 490 . 1 1 107 107 ALA CB C 13 18.022 0.2 . 1 . . . . 107 ALA CB . 16342 1 491 . 1 1 107 107 ALA N N 15 125 0.2 . 1 . . . . 107 ALA N . 16342 1 492 . 1 1 108 108 PRO C C 13 177.04 0.2 . 1 . . . . 108 PRO CO . 16342 1 493 . 1 1 108 108 PRO CA C 13 63.131 0.2 . 1 . . . . 108 PRO CA . 16342 1 494 . 1 1 108 108 PRO CB C 13 31.888 0.2 . 1 . . . . 108 PRO CB . 16342 1 495 . 1 1 109 109 GLN H H 1 8.528 0.02 . 1 . . . . 109 GLN H . 16342 1 496 . 1 1 109 109 GLN C C 13 176 0.2 . 1 . . . . 109 GLN CO . 16342 1 497 . 1 1 109 109 GLN CA C 13 55.679 0.2 . 1 . . . . 109 GLN CA . 16342 1 498 . 1 1 109 109 GLN CB C 13 29.29 0.2 . 1 . . . . 109 GLN CB . 16342 1 499 . 1 1 109 109 GLN N N 15 120.9 0.2 . 1 . . . . 109 GLN N . 16342 1 500 . 1 1 110 110 GLU H H 1 8.423 0.02 . 1 . . . . 110 GLU H . 16342 1 501 . 1 1 110 110 GLU C C 13 176.45 0.2 . 1 . . . . 110 GLU CO . 16342 1 502 . 1 1 110 110 GLU CA C 13 55.89 0.2 . 1 . . . . 110 GLU CA . 16342 1 503 . 1 1 110 110 GLU CB C 13 28.806 0.2 . 1 . . . . 110 GLU CB . 16342 1 504 . 1 1 110 110 GLU N N 15 121.8 0.2 . 1 . . . . 110 GLU N . 16342 1 505 . 1 1 111 111 GLY H H 1 8.443 0.02 . 1 . . . . 111 GLY H . 16342 1 506 . 1 1 111 111 GLY C C 13 173.97 0.2 . 1 . . . . 111 GLY CO . 16342 1 507 . 1 1 111 111 GLY CA C 13 45.228 0.2 . 1 . . . . 111 GLY CA . 16342 1 508 . 1 1 111 111 GLY N N 15 110.2 0.2 . 1 . . . . 111 GLY N . 16342 1 509 . 1 1 112 112 ILE H H 1 7.96 0.02 . 1 . . . . 112 ILE H . 16342 1 510 . 1 1 112 112 ILE C C 13 176.44 0.2 . 1 . . . . 112 ILE CO . 16342 1 511 . 1 1 112 112 ILE CA C 13 61.199 0.2 . 1 . . . . 112 ILE CA . 16342 1 512 . 1 1 112 112 ILE CB C 13 38.516 0.2 . 1 . . . . 112 ILE CB . 16342 1 513 . 1 1 112 112 ILE N N 15 120 0.2 . 1 . . . . 112 ILE N . 16342 1 514 . 1 1 113 113 LEU H H 1 8.312 0.02 . 1 . . . . 113 LEU H . 16342 1 515 . 1 1 113 113 LEU C C 13 176.59 0.2 . 1 . . . . 113 LEU CO . 16342 1 516 . 1 1 113 113 LEU CA C 13 55.117 0.2 . 1 . . . . 113 LEU CA . 16342 1 517 . 1 1 113 113 LEU CB C 13 41.993 0.2 . 1 . . . . 113 LEU CB . 16342 1 518 . 1 1 113 113 LEU N N 15 125.9 0.2 . 1 . . . . 113 LEU N . 16342 1 519 . 1 1 114 114 GLU H H 1 8.341 0.02 . 1 . . . . 114 GLU H . 16342 1 520 . 1 1 114 114 GLU C C 13 175.53 0.2 . 1 . . . . 114 GLU CO . 16342 1 521 . 1 1 114 114 GLU CA C 13 55.608 0.2 . 1 . . . . 114 GLU CA . 16342 1 522 . 1 1 114 114 GLU CB C 13 28.655 0.2 . 1 . . . . 114 GLU CB . 16342 1 523 . 1 1 114 114 GLU N N 15 121.8 0.2 . 1 . . . . 114 GLU N . 16342 1 524 . 1 1 115 115 ASP H H 1 8.381 0.02 . 1 . . . . 115 ASP H . 16342 1 525 . 1 1 115 115 ASP C C 13 174.66 0.2 . 1 . . . . 115 ASP CO . 16342 1 526 . 1 1 115 115 ASP CA C 13 52.606 0.2 . 1 . . . . 115 ASP CA . 16342 1 527 . 1 1 115 115 ASP CB C 13 37.978 0.2 . 1 . . . . 115 ASP CB . 16342 1 528 . 1 1 115 115 ASP N N 15 119.7 0.2 . 1 . . . . 115 ASP N . 16342 1 529 . 1 1 116 116 MET H H 1 8.183 0.02 . 1 . . . . 116 MET H . 16342 1 530 . 1 1 116 116 MET CA C 13 53.134 0.2 . 1 . . . . 116 MET CA . 16342 1 531 . 1 1 116 116 MET CB C 13 32.229 0.2 . 1 . . . . 116 MET CB . 16342 1 532 . 1 1 116 116 MET N N 15 121.9 0.2 . 1 . . . . 116 MET N . 16342 1 533 . 1 1 117 117 PRO C C 13 175.22 0.2 . 1 . . . . 117 PRO CO . 16342 1 534 . 1 1 117 117 PRO CA C 13 62.913 0.2 . 1 . . . . 117 PRO CA . 16342 1 535 . 1 1 117 117 PRO CB C 13 32.041 0.2 . 1 . . . . 117 PRO CB . 16342 1 536 . 1 1 118 118 VAL H H 1 8.249 0.02 . 1 . . . . 118 VAL H . 16342 1 537 . 1 1 118 118 VAL C C 13 175.69 0.2 . 1 . . . . 118 VAL CO . 16342 1 538 . 1 1 118 118 VAL CA C 13 62.181 0.2 . 1 . . . . 118 VAL CA . 16342 1 539 . 1 1 118 118 VAL CB C 13 32.66 0.2 . 1 . . . . 118 VAL CB . 16342 1 540 . 1 1 118 118 VAL N N 15 121 0.2 . 1 . . . . 118 VAL N . 16342 1 541 . 1 1 119 119 ASP H H 1 8.595 0.02 . 1 . . . . 119 ASP H . 16342 1 542 . 1 1 119 119 ASP CA C 13 50.673 0.2 . 1 . . . . 119 ASP CA . 16342 1 543 . 1 1 119 119 ASP CB C 13 38.229 0.2 . 1 . . . . 119 ASP CB . 16342 1 544 . 1 1 119 119 ASP N N 15 123.8 0.2 . 1 . . . . 119 ASP N . 16342 1 545 . 1 1 120 120 PRO C C 13 176.81 0.2 . 1 . . . . 120 PRO CO . 16342 1 546 . 1 1 120 120 PRO CA C 13 63.577 0.2 . 1 . . . . 120 PRO CA . 16342 1 547 . 1 1 120 120 PRO CB C 13 32.025 0.2 . 1 . . . . 120 PRO CB . 16342 1 548 . 1 1 121 121 ASP H H 1 8.328 0.02 . 1 . . . . 121 ASP H . 16342 1 549 . 1 1 121 121 ASP C C 13 175.07 0.2 . 1 . . . . 121 ASP CO . 16342 1 550 . 1 1 121 121 ASP CA C 13 52.962 0.2 . 1 . . . . 121 ASP CA . 16342 1 551 . 1 1 121 121 ASP CB C 13 37.835 0.2 . 1 . . . . 121 ASP CB . 16342 1 552 . 1 1 121 121 ASP N N 15 117.8 0.2 . 1 . . . . 121 ASP N . 16342 1 553 . 1 1 122 122 ASN H H 1 8.173 0.02 . 1 . . . . 122 ASN H . 16342 1 554 . 1 1 122 122 ASN C C 13 175.33 0.2 . 1 . . . . 122 ASN CO . 16342 1 555 . 1 1 122 122 ASN CA C 13 53.166 0.2 . 1 . . . . 122 ASN CA . 16342 1 556 . 1 1 122 122 ASN CB C 13 38.489 0.2 . 1 . . . . 122 ASN CB . 16342 1 557 . 1 1 122 122 ASN N N 15 119 0.2 . 1 . . . . 122 ASN N . 16342 1 558 . 1 1 123 123 GLU H H 1 8.188 0.02 . 1 . . . . 123 GLU H . 16342 1 559 . 1 1 123 123 GLU C C 13 175.88 0.2 . 1 . . . . 123 GLU CO . 16342 1 560 . 1 1 123 123 GLU CA C 13 55.992 0.2 . 1 . . . . 123 GLU CA . 16342 1 561 . 1 1 123 123 GLU CB C 13 28.367 0.2 . 1 . . . . 123 GLU CB . 16342 1 562 . 1 1 123 123 GLU N N 15 120.5 0.2 . 1 . . . . 123 GLU N . 16342 1 563 . 1 1 124 124 ALA H H 1 8.221 0.02 . 1 . . . . 124 ALA H . 16342 1 564 . 1 1 124 124 ALA C C 13 177.42 0.2 . 1 . . . . 124 ALA CO . 16342 1 565 . 1 1 124 124 ALA CA C 13 52.676 0.2 . 1 . . . . 124 ALA CA . 16342 1 566 . 1 1 124 124 ALA CB C 13 18.85 0.2 . 1 . . . . 124 ALA CB . 16342 1 567 . 1 1 124 124 ALA N N 15 124.2 0.2 . 1 . . . . 124 ALA N . 16342 1 568 . 1 1 125 125 TYR H H 1 7.94 0.02 . 1 . . . . 125 TYR H . 16342 1 569 . 1 1 125 125 TYR C C 13 175.42 0.2 . 1 . . . . 125 TYR CO . 16342 1 570 . 1 1 125 125 TYR CA C 13 57.667 0.2 . 1 . . . . 125 TYR CA . 16342 1 571 . 1 1 125 125 TYR CB C 13 38.526 0.2 . 1 . . . . 125 TYR CB . 16342 1 572 . 1 1 125 125 TYR N N 15 118.7 0.2 . 1 . . . . 125 TYR N . 16342 1 573 . 1 1 126 126 GLU H H 1 7.958 0.02 . 1 . . . . 126 GLU H . 16342 1 574 . 1 1 126 126 GLU C C 13 175.12 0.2 . 1 . . . . 126 GLU CO . 16342 1 575 . 1 1 126 126 GLU CA C 13 55.025 0.2 . 1 . . . . 126 GLU CA . 16342 1 576 . 1 1 126 126 GLU CB C 13 28.989 0.2 . 1 . . . . 126 GLU CB . 16342 1 577 . 1 1 126 126 GLU N N 15 122.2 0.2 . 1 . . . . 126 GLU N . 16342 1 578 . 1 1 127 127 MET H H 1 8.239 0.02 . 1 . . . . 127 MET H . 16342 1 579 . 1 1 127 127 MET N N 15 122.9 0.2 . 1 . . . . 127 MET N . 16342 1 580 . 1 1 128 128 PRO C C 13 177.07 0.2 . 1 . . . . 128 PRO CO . 16342 1 581 . 1 1 128 128 PRO CA C 13 63.372 0.2 . 1 . . . . 128 PRO CA . 16342 1 582 . 1 1 128 128 PRO CB C 13 32.001 0.2 . 1 . . . . 128 PRO CB . 16342 1 583 . 1 1 129 129 SER H H 1 8.333 0.02 . 1 . . . . 129 SER H . 16342 1 584 . 1 1 129 129 SER C C 13 174.89 0.2 . 1 . . . . 129 SER CO . 16342 1 585 . 1 1 129 129 SER CA C 13 58.465 0.2 . 1 . . . . 129 SER CA . 16342 1 586 . 1 1 129 129 SER CB C 13 63.407 0.2 . 1 . . . . 129 SER CB . 16342 1 587 . 1 1 129 129 SER N N 15 115.4 0.2 . 1 . . . . 129 SER N . 16342 1 588 . 1 1 130 130 GLU H H 1 8.334 0.02 . 1 . . . . 130 GLU H . 16342 1 589 . 1 1 130 130 GLU C C 13 176.07 0.2 . 1 . . . . 130 GLU CO . 16342 1 590 . 1 1 130 130 GLU N N 15 122.1 0.2 . 1 . . . . 130 GLU N . 16342 1 591 . 1 1 131 131 GLU H H 1 8.268 0.02 . 1 . . . . 131 GLU H . 16342 1 592 . 1 1 131 131 GLU C C 13 176.47 0.2 . 1 . . . . 131 GLU CO . 16342 1 593 . 1 1 131 131 GLU CA C 13 56.051 0.2 . 1 . . . . 131 GLU CA . 16342 1 594 . 1 1 131 131 GLU CB C 13 28.599 0.2 . 1 . . . . 131 GLU CB . 16342 1 595 . 1 1 131 131 GLU N N 15 120.8 0.2 . 1 . . . . 131 GLU N . 16342 1 596 . 1 1 132 132 GLY H H 1 8.348 0.02 . 1 . . . . 132 GLY H . 16342 1 597 . 1 1 132 132 GLY C C 13 173.96 0.2 . 1 . . . . 132 GLY CO . 16342 1 598 . 1 1 132 132 GLY CA C 13 45.189 0.2 . 1 . . . . 132 GLY CA . 16342 1 599 . 1 1 132 132 GLY N N 15 109.9 0.2 . 1 . . . . 132 GLY N . 16342 1 600 . 1 1 133 133 TYR H H 1 8.007 0.02 . 1 . . . . 133 TYR H . 16342 1 601 . 1 1 133 133 TYR C C 13 177.93 0.2 . 1 . . . . 133 TYR CO . 16342 1 602 . 1 1 133 133 TYR CA C 13 58.03 0.2 . 1 . . . . 133 TYR CA . 16342 1 603 . 1 1 133 133 TYR CB C 13 38.486 0.2 . 1 . . . . 133 TYR CB . 16342 1 604 . 1 1 133 133 TYR N N 15 120.3 0.2 . 1 . . . . 133 TYR N . 16342 1 605 . 1 1 134 134 GLN H H 1 8.348 0.02 . 1 . . . . 134 GLN H . 16342 1 606 . 1 1 134 134 GLN C C 13 175.1 0.2 . 1 . . . . 134 GLN CO . 16342 1 607 . 1 1 134 134 GLN CA C 13 55.528 0.2 . 1 . . . . 134 GLN CA . 16342 1 608 . 1 1 134 134 GLN CB C 13 29.388 0.2 . 1 . . . . 134 GLN CB . 16342 1 609 . 1 1 134 134 GLN N N 15 121.4 0.2 . 1 . . . . 134 GLN N . 16342 1 610 . 1 1 135 135 ASP H H 1 8.283 0.02 . 1 . . . . 135 ASP H . 16342 1 611 . 1 1 135 135 ASP C C 13 174.54 0.2 . 1 . . . . 135 ASP CO . 16342 1 612 . 1 1 135 135 ASP CA C 13 52.647 0.2 . 1 . . . . 135 ASP CA . 16342 1 613 . 1 1 135 135 ASP CB C 13 37.987 0.2 . 1 . . . . 135 ASP CB . 16342 1 614 . 1 1 135 135 ASP N N 15 119.9 0.2 . 1 . . . . 135 ASP N . 16342 1 615 . 1 1 136 136 TYR H H 1 8.07 0.02 . 1 . . . . 136 TYR H . 16342 1 616 . 1 1 136 136 TYR C C 13 175.07 0.2 . 1 . . . . 136 TYR CO . 16342 1 617 . 1 1 136 136 TYR CA C 13 57.824 0.2 . 1 . . . . 136 TYR CA . 16342 1 618 . 1 1 136 136 TYR CB C 13 38.62 0.2 . 1 . . . . 136 TYR CB . 16342 1 619 . 1 1 136 136 TYR N N 15 121.1 0.2 . 1 . . . . 136 TYR N . 16342 1 620 . 1 1 137 137 GLU H H 1 8.058 0.02 . 1 . . . . 137 GLU H . 16342 1 621 . 1 1 137 137 GLU CA C 13 52.718 0.2 . 1 . . . . 137 GLU CA . 16342 1 622 . 1 1 137 137 GLU CB C 13 28.601 0.2 . 1 . . . . 137 GLU CB . 16342 1 623 . 1 1 137 137 GLU N N 15 124.1 0.2 . 1 . . . . 137 GLU N . 16342 1 624 . 1 1 138 138 PRO C C 13 176.72 0.2 . 1 . . . . 138 PRO CO . 16342 1 625 . 1 1 138 138 PRO CA C 13 62.952 0.2 . 1 . . . . 138 PRO CA . 16342 1 626 . 1 1 138 138 PRO CB C 13 32.019 0.2 . 1 . . . . 138 PRO CB . 16342 1 627 . 1 1 139 139 GLU H H 1 8.401 0.02 . 1 . . . . 139 GLU H . 16342 1 628 . 1 1 139 139 GLU C C 13 175.66 0.2 . 1 . . . . 139 GLU CO . 16342 1 629 . 1 1 139 139 GLU CA C 13 55.559 0.2 . 1 . . . . 139 GLU CA . 16342 1 630 . 1 1 139 139 GLU CB C 13 28.788 0.2 . 1 . . . . 139 GLU CB . 16342 1 631 . 1 1 139 139 GLU N N 15 120.8 0.2 . 1 . . . . 139 GLU N . 16342 1 632 . 1 1 140 140 ALA H H 1 8.407 0.02 . 1 . . . . 140 ALA H . 16342 1 633 . 1 1 140 140 ALA CA C 13 51.711 0.2 . 1 . . . . 140 ALA CA . 16342 1 634 . 1 1 140 140 ALA CB C 13 18.939 0.2 . 1 . . . . 140 ALA CB . 16342 1 635 . 1 1 140 140 ALA N N 15 127.5 0.2 . 1 . . . . 140 ALA N . 16342 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 16342 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 2 _RDC_list.Sample_condition_list_label $pH3_anisotropic _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 5 '2D IPAP 1H-15N HSQC' . . . 16342 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $NMRPipe . . 16342 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 7 7 GLY H H 1 . . 1 1 7 7 GLY N N 15 . 1.30733 . . . . . . . . . . . . . . 16342 1 2 DHN . 1 1 9 9 SER H H 1 . . 1 1 9 9 SER N N 15 . 2.33511 . . . . . . . . . . . . . . 16342 1 3 DHN . 1 1 10 10 LYS H H 1 . . 1 1 10 10 LYS N N 15 . -0.01644 . . . . . . . . . . . . . . 16342 1 4 DHN . 1 1 11 11 ALA H H 1 . . 1 1 11 11 ALA N N 15 . 0.39467 . . . . . . . . . . . . . . 16342 1 5 DHN . 1 1 12 12 LYS H H 1 . . 1 1 12 12 LYS N N 15 . -1.95689 . . . . . . . . . . . . . . 16342 1 6 DHN . 1 1 13 13 GLU H H 1 . . 1 1 13 13 GLU N N 15 . 2.26933 . . . . . . . . . . . . . . 16342 1 7 DHN . 1 1 15 15 VAL H H 1 . . 1 1 15 15 VAL N N 15 . 1.59511 . . . . . . . . . . . . . . 16342 1 8 DHN . 1 1 16 16 VAL H H 1 . . 1 1 16 16 VAL N N 15 . 3.93844 . . . . . . . . . . . . . . 16342 1 9 DHN . 1 1 18 18 ALA H H 1 . . 1 1 18 18 ALA N N 15 . 2.47489 . . . . . . . . . . . . . . 16342 1 10 DHN . 1 1 19 19 ALA H H 1 . . 1 1 19 19 ALA N N 15 . -0.87156 . . . . . . . . . . . . . . 16342 1 11 DHN . 1 1 20 20 GLU H H 1 . . 1 1 20 20 GLU N N 15 . 1.19222 . . . . . . . . . . . . . . 16342 1 12 DHN . 1 1 21 21 LYS H H 1 . . 1 1 21 21 LYS N N 15 . 2.40089 . . . . . . . . . . . . . . 16342 1 13 DHN . 1 1 22 22 THR H H 1 . . 1 1 22 22 THR N N 15 . 2.47489 . . . . . . . . . . . . . . 16342 1 14 DHN . 1 1 23 23 LYS H H 1 . . 1 1 23 23 LYS N N 15 . 4.30022 . . . . . . . . . . . . . . 16342 1 15 DHN . 1 1 25 25 GLY H H 1 . . 1 1 25 25 GLY N N 15 . 4.292 . . . . . . . . . . . . . . 16342 1 16 DHN . 1 1 26 26 VAL H H 1 . . 1 1 26 26 VAL N N 15 . 2.40089 . . . . . . . . . . . . . . 16342 1 17 DHN . 1 1 27 27 ALA H H 1 . . 1 1 27 27 ALA N N 15 . 2.63933 . . . . . . . . . . . . . . 16342 1 18 DHN . 1 1 28 28 GLU H H 1 . . 1 1 28 28 GLU N N 15 . 1.44711 . . . . . . . . . . . . . . 16342 1 19 DHN . 1 1 29 29 ALA H H 1 . . 1 1 29 29 ALA N N 15 . 5.24578 . . . . . . . . . . . . . . 16342 1 20 DHN . 1 1 31 31 GLY H H 1 . . 1 1 31 31 GLY N N 15 . 1.71022 . . . . . . . . . . . . . . 16342 1 21 DHN . 1 1 32 32 LYS H H 1 . . 1 1 32 32 LYS N N 15 . 1.82533 . . . . . . . . . . . . . . 16342 1 22 DHN . 1 1 33 33 THR H H 1 . . 1 1 33 33 THR N N 15 . 2.39267 . . . . . . . . . . . . . . 16342 1 23 DHN . 1 1 34 34 LYS H H 1 . . 1 1 34 34 LYS N N 15 . 0.08222 . . . . . . . . . . . . . . 16342 1 24 DHN . 1 1 36 36 GLY H H 1 . . 1 1 36 36 GLY N N 15 . 5.36089 . . . . . . . . . . . . . . 16342 1 25 DHN . 1 1 37 37 VAL H H 1 . . 1 1 37 37 VAL N N 15 . 3.60956 . . . . . . . . . . . . . . 16342 1 26 DHN . 1 1 38 38 LEU H H 1 . . 1 1 38 38 LEU N N 15 . 4.07 . . . . . . . . . . . . . . 16342 1 27 DHN . 1 1 39 39 TYR H H 1 . . 1 1 39 39 TYR N N 15 . 1.94044 . . . . . . . . . . . . . . 16342 1 28 DHN . 1 1 40 40 VAL H H 1 . . 1 1 40 40 VAL N N 15 . 4.64556 . . . . . . . . . . . . . . 16342 1 29 DHN . 1 1 41 41 GLY H H 1 . . 1 1 41 41 GLY N N 15 . 2.20356 . . . . . . . . . . . . . . 16342 1 30 DHN . 1 1 42 42 SER H H 1 . . 1 1 42 42 SER N N 15 . 3.14089 . . . . . . . . . . . . . . 16342 1 31 DHN . 1 1 43 43 LYS H H 1 . . 1 1 43 43 LYS N N 15 . 3.31356 . . . . . . . . . . . . . . 16342 1 32 DHN . 1 1 44 44 THR H H 1 . . 1 1 44 44 THR N N 15 . 3.182 . . . . . . . . . . . . . . 16342 1 33 DHN . 1 1 45 45 LYS H H 1 . . 1 1 45 45 LYS N N 15 . 3.51911 . . . . . . . . . . . . . . 16342 1 34 DHN . 1 1 46 46 GLU H H 1 . . 1 1 46 46 GLU N N 15 . 0.74822 . . . . . . . . . . . . . . 16342 1 35 DHN . 1 1 48 48 VAL H H 1 . . 1 1 48 48 VAL N N 15 . 2.99289 . . . . . . . . . . . . . . 16342 1 36 DHN . 1 1 49 49 VAL H H 1 . . 1 1 49 49 VAL N N 15 . 1.46356 . . . . . . . . . . . . . . 16342 1 37 DHN . 1 1 50 50 HIS H H 1 . . 1 1 50 50 HIS N N 15 . 4.24267 . . . . . . . . . . . . . . 16342 1 38 DHN . 1 1 51 51 GLY H H 1 . . 1 1 51 51 GLY N N 15 . 5.16356 . . . . . . . . . . . . . . 16342 1 39 DHN . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL N N 15 . 6.11733 . . . . . . . . . . . . . . 16342 1 40 DHN . 1 1 53 53 ALA H H 1 . . 1 1 53 53 ALA N N 15 . 5.80489 . . . . . . . . . . . . . . 16342 1 41 DHN . 1 1 54 54 THR H H 1 . . 1 1 54 54 THR N N 15 . 5.74733 . . . . . . . . . . . . . . 16342 1 42 DHN . 1 1 56 56 ALA H H 1 . . 1 1 56 56 ALA N N 15 . 4.54689 . . . . . . . . . . . . . . 16342 1 43 DHN . 1 1 57 57 GLU H H 1 . . 1 1 57 57 GLU N N 15 . 4.96622 . . . . . . . . . . . . . . 16342 1 44 DHN . 1 1 58 58 LYS H H 1 . . 1 1 58 58 LYS N N 15 . 5.19644 . . . . . . . . . . . . . . 16342 1 45 DHN . 1 1 59 59 THR H H 1 . . 1 1 59 59 THR N N 15 . 4.27556 . . . . . . . . . . . . . . 16342 1 46 DHN . 1 1 60 60 LYS H H 1 . . 1 1 60 60 LYS N N 15 . 4.39067 . . . . . . . . . . . . . . 16342 1 47 DHN . 1 1 61 61 GLU H H 1 . . 1 1 61 61 GLU N N 15 . -0.41933 . . . . . . . . . . . . . . 16342 1 48 DHN . 1 1 62 62 GLN H H 1 . . 1 1 62 62 GLN N N 15 . 2.55711 . . . . . . . . . . . . . . 16342 1 49 DHN . 1 1 63 63 VAL H H 1 . . 1 1 63 63 VAL N N 15 . 4.22622 . . . . . . . . . . . . . . 16342 1 50 DHN . 1 1 64 64 THR H H 1 . . 1 1 64 64 THR N N 15 . 4.67022 . . . . . . . . . . . . . . 16342 1 51 DHN . 1 1 65 65 ASN H H 1 . . 1 1 65 65 ASN N N 15 . 4.144 . . . . . . . . . . . . . . 16342 1 52 DHN . 1 1 67 67 GLY H H 1 . . 1 1 67 67 GLY N N 15 . 1.50467 . . . . . . . . . . . . . . 16342 1 53 DHN . 1 1 68 68 GLY H H 1 . . 1 1 68 68 GLY N N 15 . 1.34844 . . . . . . . . . . . . . . 16342 1 54 DHN . 1 1 69 69 ALA H H 1 . . 1 1 69 69 ALA N N 15 . 3.08333 . . . . . . . . . . . . . . 16342 1 55 DHN . 1 1 70 70 VAL H H 1 . . 1 1 70 70 VAL N N 15 . 3.01756 . . . . . . . . . . . . . . 16342 1 56 DHN . 1 1 71 71 VAL H H 1 . . 1 1 71 71 VAL N N 15 . 3.67533 . . . . . . . . . . . . . . 16342 1 57 DHN . 1 1 72 72 THR H H 1 . . 1 1 72 72 THR N N 15 . 3.46978 . . . . . . . . . . . . . . 16342 1 58 DHN . 1 1 73 73 GLY H H 1 . . 1 1 73 73 GLY N N 15 . 4.31667 . . . . . . . . . . . . . . 16342 1 59 DHN . 1 1 74 74 VAL H H 1 . . 1 1 74 74 VAL N N 15 . 3.11622 . . . . . . . . . . . . . . 16342 1 60 DHN . 1 1 75 75 THR H H 1 . . 1 1 75 75 THR N N 15 . 4.76889 . . . . . . . . . . . . . . 16342 1 61 DHN . 1 1 76 76 ALA H H 1 . . 1 1 76 76 ALA N N 15 . 3.13267 . . . . . . . . . . . . . . 16342 1 62 DHN . 1 1 77 77 VAL H H 1 . . 1 1 77 77 VAL N N 15 . 4.85933 . . . . . . . . . . . . . . 16342 1 63 DHN . 1 1 78 78 ALA H H 1 . . 1 1 78 78 ALA N N 15 . 2.87778 . . . . . . . . . . . . . . 16342 1 64 DHN . 1 1 79 79 GLN H H 1 . . 1 1 79 79 GLN N N 15 . 5.89533 . . . . . . . . . . . . . . 16342 1 65 DHN . 1 1 80 80 LYS H H 1 . . 1 1 80 80 LYS N N 15 . 4.74422 . . . . . . . . . . . . . . 16342 1 66 DHN . 1 1 81 81 THR H H 1 . . 1 1 81 81 THR N N 15 . 3.63422 . . . . . . . . . . . . . . 16342 1 67 DHN . 1 1 82 82 VAL H H 1 . . 1 1 82 82 VAL N N 15 . 3.51089 . . . . . . . . . . . . . . 16342 1 68 DHN . 1 1 83 83 GLU H H 1 . . 1 1 83 83 GLU N N 15 . 2.95178 . . . . . . . . . . . . . . 16342 1 69 DHN . 1 1 84 84 GLY H H 1 . . 1 1 84 84 GLY N N 15 . 3.39578 . . . . . . . . . . . . . . 16342 1 70 DHN . 1 1 85 85 ALA H H 1 . . 1 1 85 85 ALA N N 15 . 0.15622 . . . . . . . . . . . . . . 16342 1 71 DHN . 1 1 86 86 GLY H H 1 . . 1 1 86 86 GLY N N 15 . 0.962 . . . . . . . . . . . . . . 16342 1 72 DHN . 1 1 87 87 SER H H 1 . . 1 1 87 87 SER N N 15 . 0.64956 . . . . . . . . . . . . . . 16342 1 73 DHN . 1 1 88 88 ILE H H 1 . . 1 1 88 88 ILE N N 15 . 1.83356 . . . . . . . . . . . . . . 16342 1 74 DHN . 1 1 89 89 ALA H H 1 . . 1 1 89 89 ALA N N 15 . 1.79244 . . . . . . . . . . . . . . 16342 1 75 DHN . 1 1 90 90 ALA H H 1 . . 1 1 90 90 ALA N N 15 . 1.42244 . . . . . . . . . . . . . . 16342 1 76 DHN . 1 1 91 91 ALA H H 1 . . 1 1 91 91 ALA N N 15 . 3.12444 . . . . . . . . . . . . . . 16342 1 77 DHN . 1 1 92 92 THR H H 1 . . 1 1 92 92 THR N N 15 . 1.20044 . . . . . . . . . . . . . . 16342 1 78 DHN . 1 1 93 93 GLY H H 1 . . 1 1 93 93 GLY N N 15 . 1.82533 . . . . . . . . . . . . . . 16342 1 79 DHN . 1 1 94 94 PHE H H 1 . . 1 1 94 94 PHE N N 15 . 1.01133 . . . . . . . . . . . . . . 16342 1 80 DHN . 1 1 95 95 VAL H H 1 . . 1 1 95 95 VAL N N 15 . 2.76267 . . . . . . . . . . . . . . 16342 1 81 DHN . 1 1 96 96 LYS H H 1 . . 1 1 96 96 LYS N N 15 . 2.55711 . . . . . . . . . . . . . . 16342 1 82 DHN . 1 1 97 97 LYS H H 1 . . 1 1 97 97 LYS N N 15 . 3.68356 . . . . . . . . . . . . . . 16342 1 83 DHN . 1 1 98 98 ASP H H 1 . . 1 1 98 98 ASP N N 15 . 2.294 . . . . . . . . . . . . . . 16342 1 84 DHN . 1 1 99 99 GLN H H 1 . . 1 1 99 99 GLN N N 15 . 2.35978 . . . . . . . . . . . . . . 16342 1 85 DHN . 1 1 100 100 LEU H H 1 . . 1 1 100 100 LEU N N 15 . 4.53867 . . . . . . . . . . . . . . 16342 1 86 DHN . 1 1 101 101 GLY H H 1 . . 1 1 101 101 GLY N N 15 . 1.06067 . . . . . . . . . . . . . . 16342 1 87 DHN . 1 1 102 102 LYS H H 1 . . 1 1 102 102 LYS N N 15 . 1.22511 . . . . . . . . . . . . . . 16342 1 88 DHN . 1 1 103 103 ASN H H 1 . . 1 1 103 103 ASN N N 15 . 1.12644 . . . . . . . . . . . . . . 16342 1 89 DHN . 1 1 104 104 GLU H H 1 . . 1 1 104 104 GLU N N 15 . 0.91267 . . . . . . . . . . . . . . 16342 1 90 DHN . 1 1 105 105 GLU H H 1 . . 1 1 105 105 GLU N N 15 . 5.254 . . . . . . . . . . . . . . 16342 1 91 DHN . 1 1 107 107 ALA H H 1 . . 1 1 107 107 ALA N N 15 . 1.74311 . . . . . . . . . . . . . . 16342 1 92 DHN . 1 1 109 109 GLN H H 1 . . 1 1 109 109 GLN N N 15 . 0.888 . . . . . . . . . . . . . . 16342 1 93 DHN . 1 1 110 110 GLU H H 1 . . 1 1 110 110 GLU N N 15 . 0.592 . . . . . . . . . . . . . . 16342 1 94 DHN . 1 1 111 111 GLY H H 1 . . 1 1 111 111 GLY N N 15 . 1.57044 . . . . . . . . . . . . . . 16342 1 95 DHN . 1 1 112 112 ILE H H 1 . . 1 1 112 112 ILE N N 15 . -0.148 . . . . . . . . . . . . . . 16342 1 96 DHN . 1 1 113 113 LEU H H 1 . . 1 1 113 113 LEU N N 15 . -0.58378 . . . . . . . . . . . . . . 16342 1 97 DHN . 1 1 114 114 GLU H H 1 . . 1 1 114 114 GLU N N 15 . 5.476 . . . . . . . . . . . . . . 16342 1 98 DHN . 1 1 115 115 ASP H H 1 . . 1 1 115 115 ASP N N 15 . 1.702 . . . . . . . . . . . . . . 16342 1 99 DHN . 1 1 116 116 MET H H 1 . . 1 1 116 116 MET N N 15 . 1.74311 . . . . . . . . . . . . . . 16342 1 100 DHN . 1 1 118 118 VAL H H 1 . . 1 1 118 118 VAL N N 15 . 2.00622 . . . . . . . . . . . . . . 16342 1 101 DHN . 1 1 119 119 ASP H H 1 . . 1 1 119 119 ASP N N 15 . 1.50467 . . . . . . . . . . . . . . 16342 1 102 DHN . 1 1 121 121 ASP H H 1 . . 1 1 121 121 ASP N N 15 . -0.27956 . . . . . . . . . . . . . . 16342 1 103 DHN . 1 1 122 122 ASN H H 1 . . 1 1 122 122 ASN N N 15 . -0.03289 . . . . . . . . . . . . . . 16342 1 104 DHN . 1 1 123 123 GLU H H 1 . . 1 1 123 123 GLU N N 15 . -1.036 . . . . . . . . . . . . . . 16342 1 105 DHN . 1 1 124 124 ALA H H 1 . . 1 1 124 124 ALA N N 15 . -1.66089 . . . . . . . . . . . . . . 16342 1 106 DHN . 1 1 125 125 TYR H H 1 . . 1 1 125 125 TYR N N 15 . -2.21178 . . . . . . . . . . . . . . 16342 1 107 DHN . 1 1 126 126 GLU H H 1 . . 1 1 126 126 GLU N N 15 . 0.58378 . . . . . . . . . . . . . . 16342 1 108 DHN . 1 1 129 129 SER H H 1 . . 1 1 129 129 SER N N 15 . -2.98467 . . . . . . . . . . . . . . 16342 1 109 DHN . 1 1 130 130 GLU H H 1 . . 1 1 130 130 GLU N N 15 . -0.45222 . . . . . . . . . . . . . . 16342 1 110 DHN . 1 1 132 132 GLY H H 1 . . 1 1 132 132 GLY N N 15 . -0.99489 . . . . . . . . . . . . . . 16342 1 111 DHN . 1 1 133 133 TYR H H 1 . . 1 1 133 133 TYR N N 15 . -5.11422 . . . . . . . . . . . . . . 16342 1 112 DHN . 1 1 134 134 GLN H H 1 . . 1 1 134 134 GLN N N 15 . 1.87467 . . . . . . . . . . . . . . 16342 1 113 DHN . 1 1 135 135 ASP H H 1 . . 1 1 135 135 ASP N N 15 . -1.90756 . . . . . . . . . . . . . . 16342 1 114 DHN . 1 1 136 136 TYR H H 1 . . 1 1 136 136 TYR N N 15 . -4.39067 . . . . . . . . . . . . . . 16342 1 115 DHN . 1 1 137 137 GLU H H 1 . . 1 1 137 137 GLU N N 15 . 0.12333 . . . . . . . . . . . . . . 16342 1 116 DHN . 1 1 139 139 GLU H H 1 . . 1 1 139 139 GLU N N 15 . -0.86333 . . . . . . . . . . . . . . 16342 1 117 DHN . 1 1 140 140 ALA H H 1 . . 1 1 140 140 ALA N N 15 . 1.01956 . . . . . . . . . . . . . . 16342 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 16342 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $pH3 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 4 '2D Heteronuclear NOE' . . . 16342 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $NMRPipe . . 16342 1 3 $SPARKY . . 16342 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 ASP N N 15 . 1 1 2 2 ASP H H 1 -1.47 0.158 . . . . . . . . . . 16342 1 2 . 1 1 3 3 VAL N N 15 . 1 1 3 3 VAL H H 1 0.125 0.065 . . . . . . . . . . 16342 1 3 . 1 1 4 4 PHE N N 15 . 1 1 4 4 PHE H H 1 -0.316 0.091 . . . . . . . . . . 16342 1 4 . 1 1 5 5 MET N N 15 . 1 1 5 5 MET H H 1 -0.319 0.081 . . . . . . . . . . 16342 1 5 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.0794 0.066 . . . . . . . . . . 16342 1 6 . 1 1 7 7 GLY N N 15 . 1 1 7 7 GLY H H 1 -0.065 0.045 . . . . . . . . . . 16342 1 7 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 -0.0445 0.082 . . . . . . . . . . 16342 1 8 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 -0.221 0.079 . . . . . . . . . . 16342 1 9 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 -0.179 0.066 . . . . . . . . . . 16342 1 10 . 1 1 11 11 ALA N N 15 . 1 1 11 11 ALA H H 1 0.0182 0.050 . . . . . . . . . . 16342 1 11 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.0738 0.054 . . . . . . . . . . 16342 1 12 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 -0.113 0.044 . . . . . . . . . . 16342 1 13 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 -0.145 0.080 . . . . . . . . . . 16342 1 14 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 -0.133 0.048 . . . . . . . . . . 16342 1 15 . 1 1 16 16 VAL N N 15 . 1 1 16 16 VAL H H 1 -0.258 0.063 . . . . . . . . . . 16342 1 16 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 -0.317 0.043 . . . . . . . . . . 16342 1 17 . 1 1 18 18 ALA N N 15 . 1 1 18 18 ALA H H 1 0.0431 0.023 . . . . . . . . . . 16342 1 18 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 0.111 0.041 . . . . . . . . . . 16342 1 19 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 -0.138 0.043 . . . . . . . . . . 16342 1 20 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 -0.00286 0.050 . . . . . . . . . . 16342 1 21 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 -0.159 0.030 . . . . . . . . . . 16342 1 22 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 -0.016 0.045 . . . . . . . . . . 16342 1 23 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 -0.372 0.060 . . . . . . . . . . 16342 1 24 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.0168 0.042 . . . . . . . . . . 16342 1 25 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 -0.279 0.037 . . . . . . . . . . 16342 1 26 . 1 1 28 28 GLU N N 15 . 1 1 28 28 GLU H H 1 -0.00316 0.042 . . . . . . . . . . 16342 1 27 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 -0.12 0.044 . . . . . . . . . . 16342 1 28 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 -0.168 0.044 . . . . . . . . . . 16342 1 29 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 -0.083 0.047 . . . . . . . . . . 16342 1 30 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 -0.0859 0.048 . . . . . . . . . . 16342 1 31 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 -0.109 0.050 . . . . . . . . . . 16342 1 32 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 -0.275 0.044 . . . . . . . . . . 16342 1 33 . 1 1 37 37 VAL N N 15 . 1 1 37 37 VAL H H 1 0.073 0.046 . . . . . . . . . . 16342 1 34 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.0508 0.051 . . . . . . . . . . 16342 1 35 . 1 1 39 39 TYR N N 15 . 1 1 39 39 TYR H H 1 0.00377 0.046 . . . . . . . . . . 16342 1 36 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 -0.0852 0.049 . . . . . . . . . . 16342 1 37 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.21 0.042 . . . . . . . . . . 16342 1 38 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 -0.00561 0.049 . . . . . . . . . . 16342 1 39 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 -0.248 0.047 . . . . . . . . . . 16342 1 40 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 -0.19 0.044 . . . . . . . . . . 16342 1 41 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.116 0.038 . . . . . . . . . . 16342 1 42 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 -0.0618 0.044 . . . . . . . . . . 16342 1 43 . 1 1 50 50 HIS N N 15 . 1 1 50 50 HIS H H 1 -0.117 0.040 . . . . . . . . . . 16342 1 44 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 -0.203 0.041 . . . . . . . . . . 16342 1 45 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 -0.304 0.047 . . . . . . . . . . 16342 1 46 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 -0.311 0.043 . . . . . . . . . . 16342 1 47 . 1 1 54 54 THR N N 15 . 1 1 54 54 THR H H 1 -0.208 0.041 . . . . . . . . . . 16342 1 48 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 0.248 0.047 . . . . . . . . . . 16342 1 49 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 -0.418 0.047 . . . . . . . . . . 16342 1 50 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.0395 0.044 . . . . . . . . . . 16342 1 51 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 -0.21 0.044 . . . . . . . . . . 16342 1 52 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 -0.00551 0.046 . . . . . . . . . . 16342 1 53 . 1 1 60 60 LYS N N 15 . 1 1 60 60 LYS H H 1 -0.189 0.053 . . . . . . . . . . 16342 1 54 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 -0.138 0.038 . . . . . . . . . . 16342 1 55 . 1 1 62 62 GLN N N 15 . 1 1 62 62 GLN H H 1 0.0203 0.047 . . . . . . . . . . 16342 1 56 . 1 1 63 63 VAL N N 15 . 1 1 63 63 VAL H H 1 0.0262 0.048 . . . . . . . . . . 16342 1 57 . 1 1 64 64 THR N N 15 . 1 1 64 64 THR H H 1 0.0959 0.044 . . . . . . . . . . 16342 1 58 . 1 1 65 65 ASN N N 15 . 1 1 65 65 ASN H H 1 -0.124 0.050 . . . . . . . . . . 16342 1 59 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 -0.378 0.081 . . . . . . . . . . 16342 1 60 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 -0.106 0.037 . . . . . . . . . . 16342 1 61 . 1 1 68 68 GLY N N 15 . 1 1 68 68 GLY H H 1 -0.092 0.039 . . . . . . . . . . 16342 1 62 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 -0.229 0.036 . . . . . . . . . . 16342 1 63 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 -0.116 0.038 . . . . . . . . . . 16342 1 64 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 -0.389 0.050 . . . . . . . . . . 16342 1 65 . 1 1 72 72 THR N N 15 . 1 1 72 72 THR H H 1 -0.0717 0.043 . . . . . . . . . . 16342 1 66 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 -0.358 0.048 . . . . . . . . . . 16342 1 67 . 1 1 74 74 VAL N N 15 . 1 1 74 74 VAL H H 1 -0.211 0.041 . . . . . . . . . . 16342 1 68 . 1 1 75 75 THR N N 15 . 1 1 75 75 THR H H 1 -0.176 0.043 . . . . . . . . . . 16342 1 69 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 -0.426 0.043 . . . . . . . . . . 16342 1 70 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 -0.287 0.045 . . . . . . . . . . 16342 1 71 . 1 1 78 78 ALA N N 15 . 1 1 78 78 ALA H H 1 -0.41 0.035 . . . . . . . . . . 16342 1 72 . 1 1 79 79 GLN N N 15 . 1 1 79 79 GLN H H 1 -0.374 0.044 . . . . . . . . . . 16342 1 73 . 1 1 80 80 LYS N N 15 . 1 1 80 80 LYS H H 1 -0.0899 0.040 . . . . . . . . . . 16342 1 74 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.0563 0.045 . . . . . . . . . . 16342 1 75 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 -0.155 0.054 . . . . . . . . . . 16342 1 76 . 1 1 83 83 GLU N N 15 . 1 1 83 83 GLU H H 1 -0.129 0.044 . . . . . . . . . . 16342 1 77 . 1 1 84 84 GLY N N 15 . 1 1 84 84 GLY H H 1 -0.219 0.041 . . . . . . . . . . 16342 1 78 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 -0.0205 0.034 . . . . . . . . . . 16342 1 79 . 1 1 86 86 GLY N N 15 . 1 1 86 86 GLY H H 1 -0.299 0.041 . . . . . . . . . . 16342 1 80 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 -0.321 0.040 . . . . . . . . . . 16342 1 81 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 -0.154 0.050 . . . . . . . . . . 16342 1 82 . 1 1 89 89 ALA N N 15 . 1 1 89 89 ALA H H 1 -0.26 0.037 . . . . . . . . . . 16342 1 83 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA H H 1 -0.174 0.044 . . . . . . . . . . 16342 1 84 . 1 1 91 91 ALA N N 15 . 1 1 91 91 ALA H H 1 -0.0836 0.021 . . . . . . . . . . 16342 1 85 . 1 1 92 92 THR N N 15 . 1 1 92 92 THR H H 1 -0.248 0.044 . . . . . . . . . . 16342 1 86 . 1 1 93 93 GLY N N 15 . 1 1 93 93 GLY H H 1 0.0555 0.047 . . . . . . . . . . 16342 1 87 . 1 1 94 94 PHE N N 15 . 1 1 94 94 PHE H H 1 -0.099 0.047 . . . . . . . . . . 16342 1 88 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 -0.0701 0.054 . . . . . . . . . . 16342 1 89 . 1 1 96 96 LYS N N 15 . 1 1 96 96 LYS H H 1 0.11 0.041 . . . . . . . . . . 16342 1 90 . 1 1 97 97 LYS N N 15 . 1 1 97 97 LYS H H 1 -0.0471 0.040 . . . . . . . . . . 16342 1 91 . 1 1 98 98 ASP N N 15 . 1 1 98 98 ASP H H 1 0.0892 0.050 . . . . . . . . . . 16342 1 92 . 1 1 99 99 GLN N N 15 . 1 1 99 99 GLN H H 1 -0.0481 0.040 . . . . . . . . . . 16342 1 93 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.014 0.044 . . . . . . . . . . 16342 1 94 . 1 1 101 101 GLY N N 15 . 1 1 101 101 GLY H H 1 -0.156 0.047 . . . . . . . . . . 16342 1 95 . 1 1 102 102 LYS N N 15 . 1 1 102 102 LYS H H 1 0.174 0.041 . . . . . . . . . . 16342 1 96 . 1 1 103 103 ASN N N 15 . 1 1 103 103 ASN H H 1 0.178 0.036 . . . . . . . . . . 16342 1 97 . 1 1 104 104 GLU N N 15 . 1 1 104 104 GLU H H 1 0.0948 0.042 . . . . . . . . . . 16342 1 98 . 1 1 105 105 GLU N N 15 . 1 1 105 105 GLU H H 1 -0.159 0.042 . . . . . . . . . . 16342 1 99 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 -0.347 0.042 . . . . . . . . . . 16342 1 100 . 1 1 107 107 ALA N N 15 . 1 1 107 107 ALA H H 1 -0.0142 0.039 . . . . . . . . . . 16342 1 101 . 1 1 109 109 GLN N N 15 . 1 1 109 109 GLN H H 1 0.0709 0.055 . . . . . . . . . . 16342 1 102 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 -0.0151 0.049 . . . . . . . . . . 16342 1 103 . 1 1 111 111 GLY N N 15 . 1 1 111 111 GLY H H 1 -0.152 0.043 . . . . . . . . . . 16342 1 104 . 1 1 112 112 ILE N N 15 . 1 1 112 112 ILE H H 1 0.391 0.054 . . . . . . . . . . 16342 1 105 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.0123 0.056 . . . . . . . . . . 16342 1 106 . 1 1 114 114 GLU N N 15 . 1 1 114 114 GLU H H 1 0.0143 0.046 . . . . . . . . . . 16342 1 107 . 1 1 115 115 ASP N N 15 . 1 1 115 115 ASP H H 1 -0.0617 0.067 . . . . . . . . . . 16342 1 108 . 1 1 116 116 MET N N 15 . 1 1 116 116 MET H H 1 0.0256 0.064 . . . . . . . . . . 16342 1 109 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 -0.0261 0.047 . . . . . . . . . . 16342 1 110 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.384 0.063 . . . . . . . . . . 16342 1 111 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.164 0.069 . . . . . . . . . . 16342 1 112 . 1 1 122 122 ASN N N 15 . 1 1 122 122 ASN H H 1 0.234 0.063 . . . . . . . . . . 16342 1 113 . 1 1 123 123 GLU N N 15 . 1 1 123 123 GLU H H 1 0.344 0.070 . . . . . . . . . . 16342 1 114 . 1 1 124 124 ALA N N 15 . 1 1 124 124 ALA H H 1 0.303 0.053 . . . . . . . . . . 16342 1 115 . 1 1 125 125 TYR N N 15 . 1 1 125 125 TYR H H 1 0.303 0.063 . . . . . . . . . . 16342 1 116 . 1 1 126 126 GLU N N 15 . 1 1 126 126 GLU H H 1 0.283 0.065 . . . . . . . . . . 16342 1 117 . 1 1 127 127 MET N N 15 . 1 1 127 127 MET H H 1 0.337 0.050 . . . . . . . . . . 16342 1 118 . 1 1 129 129 SER N N 15 . 1 1 129 129 SER H H 1 0.0899 0.055 . . . . . . . . . . 16342 1 119 . 1 1 130 130 GLU N N 15 . 1 1 130 130 GLU H H 1 0.334 0.068 . . . . . . . . . . 16342 1 120 . 1 1 131 131 GLU N N 15 . 1 1 131 131 GLU H H 1 0.173 0.030 . . . . . . . . . . 16342 1 121 . 1 1 132 132 GLY N N 15 . 1 1 132 132 GLY H H 1 0.0336 0.041 . . . . . . . . . . 16342 1 122 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.168 0.045 . . . . . . . . . . 16342 1 123 . 1 1 134 134 GLN N N 15 . 1 1 134 134 GLN H H 1 -0.311 0.064 . . . . . . . . . . 16342 1 124 . 1 1 135 135 ASP N N 15 . 1 1 135 135 ASP H H 1 0.284 0.066 . . . . . . . . . . 16342 1 125 . 1 1 136 136 TYR N N 15 . 1 1 136 136 TYR H H 1 -0.0741 0.049 . . . . . . . . . . 16342 1 126 . 1 1 137 137 GLU N N 15 . 1 1 137 137 GLU H H 1 -0.153 0.055 . . . . . . . . . . 16342 1 127 . 1 1 139 139 GLU N N 15 . 1 1 139 139 GLU H H 1 -0.484 0.044 . . . . . . . . . . 16342 1 128 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 -0.928 0.055 . . . . . . . . . . 16342 1 stop_ save_