data_6968 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6968 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 '1H, 13C and 15N assignment of C', CA, CB, N, HN, HA and HB of intrinsically disordered alpha-synuclein' 'Structure analysis' '1H, 13C and 15N assignment of C', CA, CB, N, HN, HA and HB of intrinsically disordered alpha-synuclein through new NMR experiments' 6968 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . COCON 6968 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6968 _Entry.Title ; 1H, 13C and 15N assignment of C', CA, CB, N, HN, HA and HB of intrinsically disordered alpha-synuclein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-03 _Entry.Accession_date 2006-02-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details '1H, 13C and 15N assignment of C', CA, CB, N, HN, HA and HB of intrinsically disordered alpha-synuclein' _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 Wolfgang Bermel . . . 6968 2 Ivano Bertini . . . 6968 3 Isabella Felli . C. . 6968 4 Yong-Min Lee . . . 6968 5 Claudio Luchinat . . . 6968 6 Wiktor Kozminski . . . 6968 7 Alessandro Piai . . . 6968 8 Roberta Pierattelli . . . 6968 9 Jan Stanek . . . 6968 10 Anna Zawadzka-Kazimierczuk . . . 6968 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CERM and Department of Chemistry, University of Florence, Italy' . 6968 2 . 'Bruker BioSpin GmbH, Rheinstetten, Germany' . 6968 3 . 'CERM and Department of Agricultural Biotechnology, University of Florence, Italy' . 6968 4 . 'Faculty of Chemistry, University of Warsaw, Poland' . 6968 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6968 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 523 6968 '13C chemical shifts' 401 6968 '15N chemical shifts' 139 6968 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 . . 2014-07-17 2006-02-03 update author 'update assignments' 6968 2 . . 2013-07-11 2006-02-03 update author 'update assignments, and others' 6968 1 . . 2006-04-27 2006-02-03 original author 'original release' 6968 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6968 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16551093 _Citation.Full_citation . _Citation.Title 'Protonless NMR experiments for sequence-specific assignment of backbone nuclei in unfolded proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 128 _Citation.Journal_issue 12 _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 3918 _Citation.Page_last 3919 _Citation.Year 2006 _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 Wolfgang Bermel . . . 6968 1 2 Ivano Bertini . . . 6968 1 3 Isabella Felli . C. . 6968 1 4 Yong-Min Lee . . . 6968 1 5 Claudio Luchinat . . . 6968 1 6 Roberta Pierattelli . . . 6968 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 6968 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22684679 _Citation.Full_citation . _Citation.Title 'Speeding up sequence specific assignment of IDPs' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bimol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 53 _Citation.Journal_issue 4 _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 293 _Citation.Page_last 301 _Citation.Year 2012 _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 Wolfgang Bermel . . . 6968 2 2 Ivano Bertini . . . 6968 2 3 Isabella Felli . C. . 6968 2 4 Leonardo Gonnelli . . . 6968 2 5 Wiktor Kozminski . . . 6968 2 6 Alessandro Piai . . . 6968 2 7 Roberta Pierattelli . . . 6968 2 8 Jan Stanek . . . 6968 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6968 _Assembly.ID 1 _Assembly.Name 'intrinsically disordered alpha-synuclein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'intrinsically disordered alpha-synuclein' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6968 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'intrinsically disordered alpha-synuclein' 1 $intrinsically_disordered_alpha-synuclein . . yes denatured no no . main . 6968 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_intrinsically_disordered_alpha-synuclein _Entity.Sf_category entity _Entity.Sf_framecode intrinsically_disordered_alpha-synuclein _Entity.Entry_ID 6968 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'intrinsically disordered alpha-synuclein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'intrinsically disordered alpha-synuclein' _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 1 _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 'intrinsically disordered alpha-synuclein' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16300 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 2 no BMRB 16302 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 3 no BMRB 16342 . human_a-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 4 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 5 no BMRB 16546 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 7.10e-89 . . . . 6968 1 6 no BMRB 16547 . E46K_alpha-synuclein . . . . . 100.00 140 99.29 100.00 3.42e-89 . . . . 6968 1 7 no BMRB 16548 . A53T_alpha-synuclein . . . . . 100.00 140 99.29 99.29 2.84e-89 . . . . 6968 1 8 no BMRB 16904 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 9 no BMRB 16939 . WT_alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 1.44e-88 . . . . 6968 1 10 no BMRB 17214 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 7.10e-89 . . . . 6968 1 11 no BMRB 17498 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 12 no BMRB 17648 . A30P_alpha-synuclein . . . . . 100.00 140 98.57 98.57 1.54e-87 . . . . 6968 1 13 no BMRB 17649 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 5.24e-88 . . . . 6968 1 14 no BMRB 17654 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 6.10e-88 . . . . 6968 1 15 no BMRB 17665 . aSyn . . . . . 100.00 150 100.00 100.00 3.62e-89 . . . . 6968 1 16 no BMRB 17910 . wild-type_alpha-synuclein_formed_in_phospholipid_vesicles . . . . . 100.00 140 99.29 99.29 1.44e-88 . . . . 6968 1 17 no BMRB 18207 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 5.24e-88 . . . . 6968 1 18 no BMRB 18208 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 6.10e-88 . . . . 6968 1 19 no BMRB 18243 . alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 1.44e-88 . . . . 6968 1 20 no BMRB 18857 . alpha_synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 21 no BMRB 18860 . a-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 22 no BMRB 19257 . Alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 23 no BMRB 19337 . aSyn . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 24 no BMRB 19338 . aSyn_A53T . . . . . 100.00 140 99.29 99.29 2.84e-89 . . . . 6968 1 25 no BMRB 19344 . aSyn_S87N . . . . . 100.00 140 99.29 100.00 3.10e-89 . . . . 6968 1 26 no BMRB 19345 . aSyn_A53T&S87N . . . . . 100.00 140 98.57 99.29 1.38e-88 . . . . 6968 1 27 no BMRB 19350 . acet_aSyn . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 28 no BMRB 19351 . acet_aSyn_A53T . . . . . 100.00 140 99.29 99.29 2.84e-89 . . . . 6968 1 29 no BMRB 5744 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 30 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 31 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 32 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 72.86 122 97.06 99.02 1.82e-56 . . . . 6968 1 33 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 34 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 35 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 36 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 37 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 38 no GB AAC02114 . "NACP/alpha-synuclein [Homo sapiens]" . . . . . 100.00 140 98.57 98.57 4.03e-88 . . . . 6968 1 39 no GB AAG30302 . "SNCA isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 40 no GB AAH13293 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 41 no GB AAI08276 . "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 42 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 43 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 44 no REF NP_001032222 . "alpha-synuclein [Sus scrofa]" . . . . . 100.00 140 97.86 97.86 1.13e-86 . . . . 6968 1 45 no REF NP_001129014 . "alpha-synuclein [Pongo abelii]" . . . . . 100.00 140 99.29 99.29 1.35e-88 . . . . 6968 1 46 no REF NP_001139526 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 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 8.09e-90 . . . . 6968 1 48 no SP P61139 . "RecName: Full=Alpha-synuclein [Erythrocebus patas]" . . . . . 100.00 140 99.29 100.00 1.70e-89 . . . . 6968 1 49 no SP P61140 . "RecName: Full=Alpha-synuclein [Gorilla gorilla gorilla]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 6968 1 50 no SP P61142 . "RecName: Full=Alpha-synuclein [Macaca fascicularis]" . . . . . 100.00 140 98.57 100.00 2.36e-89 . . . . 6968 1 51 no SP P61143 . "RecName: Full=Alpha-synuclein [Macaca mulatta]" . . . . . 100.00 140 98.57 100.00 2.36e-89 . . . . 6968 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'intrinsically disordered alpha-synuclein' . 6968 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'intrinsically disordered alpha-synuclein' 6968 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 . 6968 1 2 . ASP . 6968 1 3 . VAL . 6968 1 4 . PHE . 6968 1 5 . MET . 6968 1 6 . LYS . 6968 1 7 . GLY . 6968 1 8 . LEU . 6968 1 9 . SER . 6968 1 10 . LYS . 6968 1 11 . ALA . 6968 1 12 . LYS . 6968 1 13 . GLU . 6968 1 14 . GLY . 6968 1 15 . VAL . 6968 1 16 . VAL . 6968 1 17 . ALA . 6968 1 18 . ALA . 6968 1 19 . ALA . 6968 1 20 . GLU . 6968 1 21 . LYS . 6968 1 22 . THR . 6968 1 23 . LYS . 6968 1 24 . GLN . 6968 1 25 . GLY . 6968 1 26 . VAL . 6968 1 27 . ALA . 6968 1 28 . GLU . 6968 1 29 . ALA . 6968 1 30 . ALA . 6968 1 31 . GLY . 6968 1 32 . LYS . 6968 1 33 . THR . 6968 1 34 . LYS . 6968 1 35 . GLU . 6968 1 36 . GLY . 6968 1 37 . VAL . 6968 1 38 . LEU . 6968 1 39 . TYR . 6968 1 40 . VAL . 6968 1 41 . GLY . 6968 1 42 . SER . 6968 1 43 . LYS . 6968 1 44 . THR . 6968 1 45 . LYS . 6968 1 46 . GLU . 6968 1 47 . GLY . 6968 1 48 . VAL . 6968 1 49 . VAL . 6968 1 50 . HIS . 6968 1 51 . GLY . 6968 1 52 . VAL . 6968 1 53 . ALA . 6968 1 54 . THR . 6968 1 55 . VAL . 6968 1 56 . ALA . 6968 1 57 . GLU . 6968 1 58 . LYS . 6968 1 59 . THR . 6968 1 60 . LYS . 6968 1 61 . GLU . 6968 1 62 . GLN . 6968 1 63 . VAL . 6968 1 64 . THR . 6968 1 65 . ASN . 6968 1 66 . VAL . 6968 1 67 . GLY . 6968 1 68 . GLY . 6968 1 69 . ALA . 6968 1 70 . VAL . 6968 1 71 . VAL . 6968 1 72 . THR . 6968 1 73 . GLY . 6968 1 74 . VAL . 6968 1 75 . THR . 6968 1 76 . ALA . 6968 1 77 . VAL . 6968 1 78 . ALA . 6968 1 79 . GLN . 6968 1 80 . LYS . 6968 1 81 . THR . 6968 1 82 . VAL . 6968 1 83 . GLU . 6968 1 84 . GLY . 6968 1 85 . ALA . 6968 1 86 . GLY . 6968 1 87 . SER . 6968 1 88 . ILE . 6968 1 89 . ALA . 6968 1 90 . ALA . 6968 1 91 . ALA . 6968 1 92 . THR . 6968 1 93 . GLY . 6968 1 94 . PHE . 6968 1 95 . VAL . 6968 1 96 . LYS . 6968 1 97 . LYS . 6968 1 98 . ASP . 6968 1 99 . GLN . 6968 1 100 . LEU . 6968 1 101 . GLY . 6968 1 102 . LYS . 6968 1 103 . ASN . 6968 1 104 . GLU . 6968 1 105 . GLU . 6968 1 106 . GLY . 6968 1 107 . ALA . 6968 1 108 . PRO . 6968 1 109 . GLN . 6968 1 110 . GLU . 6968 1 111 . GLY . 6968 1 112 . ILE . 6968 1 113 . LEU . 6968 1 114 . GLU . 6968 1 115 . ASP . 6968 1 116 . MET . 6968 1 117 . PRO . 6968 1 118 . VAL . 6968 1 119 . ASP . 6968 1 120 . PRO . 6968 1 121 . ASP . 6968 1 122 . ASN . 6968 1 123 . GLU . 6968 1 124 . ALA . 6968 1 125 . TYR . 6968 1 126 . GLU . 6968 1 127 . MET . 6968 1 128 . PRO . 6968 1 129 . SER . 6968 1 130 . GLU . 6968 1 131 . GLU . 6968 1 132 . GLY . 6968 1 133 . TYR . 6968 1 134 . GLN . 6968 1 135 . ASP . 6968 1 136 . TYR . 6968 1 137 . GLU . 6968 1 138 . PRO . 6968 1 139 . GLU . 6968 1 140 . ALA . 6968 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 6968 1 . ASP 2 2 6968 1 . VAL 3 3 6968 1 . PHE 4 4 6968 1 . MET 5 5 6968 1 . LYS 6 6 6968 1 . GLY 7 7 6968 1 . LEU 8 8 6968 1 . SER 9 9 6968 1 . LYS 10 10 6968 1 . ALA 11 11 6968 1 . LYS 12 12 6968 1 . GLU 13 13 6968 1 . GLY 14 14 6968 1 . VAL 15 15 6968 1 . VAL 16 16 6968 1 . ALA 17 17 6968 1 . ALA 18 18 6968 1 . ALA 19 19 6968 1 . GLU 20 20 6968 1 . LYS 21 21 6968 1 . THR 22 22 6968 1 . LYS 23 23 6968 1 . GLN 24 24 6968 1 . GLY 25 25 6968 1 . VAL 26 26 6968 1 . ALA 27 27 6968 1 . GLU 28 28 6968 1 . ALA 29 29 6968 1 . ALA 30 30 6968 1 . GLY 31 31 6968 1 . LYS 32 32 6968 1 . THR 33 33 6968 1 . LYS 34 34 6968 1 . GLU 35 35 6968 1 . GLY 36 36 6968 1 . VAL 37 37 6968 1 . LEU 38 38 6968 1 . TYR 39 39 6968 1 . VAL 40 40 6968 1 . GLY 41 41 6968 1 . SER 42 42 6968 1 . LYS 43 43 6968 1 . THR 44 44 6968 1 . LYS 45 45 6968 1 . GLU 46 46 6968 1 . GLY 47 47 6968 1 . VAL 48 48 6968 1 . VAL 49 49 6968 1 . HIS 50 50 6968 1 . GLY 51 51 6968 1 . VAL 52 52 6968 1 . ALA 53 53 6968 1 . THR 54 54 6968 1 . VAL 55 55 6968 1 . ALA 56 56 6968 1 . GLU 57 57 6968 1 . LYS 58 58 6968 1 . THR 59 59 6968 1 . LYS 60 60 6968 1 . GLU 61 61 6968 1 . GLN 62 62 6968 1 . VAL 63 63 6968 1 . THR 64 64 6968 1 . ASN 65 65 6968 1 . VAL 66 66 6968 1 . GLY 67 67 6968 1 . GLY 68 68 6968 1 . ALA 69 69 6968 1 . VAL 70 70 6968 1 . VAL 71 71 6968 1 . THR 72 72 6968 1 . GLY 73 73 6968 1 . VAL 74 74 6968 1 . THR 75 75 6968 1 . ALA 76 76 6968 1 . VAL 77 77 6968 1 . ALA 78 78 6968 1 . GLN 79 79 6968 1 . LYS 80 80 6968 1 . THR 81 81 6968 1 . VAL 82 82 6968 1 . GLU 83 83 6968 1 . GLY 84 84 6968 1 . ALA 85 85 6968 1 . GLY 86 86 6968 1 . SER 87 87 6968 1 . ILE 88 88 6968 1 . ALA 89 89 6968 1 . ALA 90 90 6968 1 . ALA 91 91 6968 1 . THR 92 92 6968 1 . GLY 93 93 6968 1 . PHE 94 94 6968 1 . VAL 95 95 6968 1 . LYS 96 96 6968 1 . LYS 97 97 6968 1 . ASP 98 98 6968 1 . GLN 99 99 6968 1 . LEU 100 100 6968 1 . GLY 101 101 6968 1 . LYS 102 102 6968 1 . ASN 103 103 6968 1 . GLU 104 104 6968 1 . GLU 105 105 6968 1 . GLY 106 106 6968 1 . ALA 107 107 6968 1 . PRO 108 108 6968 1 . GLN 109 109 6968 1 . GLU 110 110 6968 1 . GLY 111 111 6968 1 . ILE 112 112 6968 1 . LEU 113 113 6968 1 . GLU 114 114 6968 1 . ASP 115 115 6968 1 . MET 116 116 6968 1 . PRO 117 117 6968 1 . VAL 118 118 6968 1 . ASP 119 119 6968 1 . PRO 120 120 6968 1 . ASP 121 121 6968 1 . ASN 122 122 6968 1 . GLU 123 123 6968 1 . ALA 124 124 6968 1 . TYR 125 125 6968 1 . GLU 126 126 6968 1 . MET 127 127 6968 1 . PRO 128 128 6968 1 . SER 129 129 6968 1 . GLU 130 130 6968 1 . GLU 131 131 6968 1 . GLY 132 132 6968 1 . TYR 133 133 6968 1 . GLN 134 134 6968 1 . ASP 135 135 6968 1 . TYR 136 136 6968 1 . GLU 137 137 6968 1 . PRO 138 138 6968 1 . GLU 139 139 6968 1 . ALA 140 140 6968 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 6968 _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 $intrinsically_disordered_alpha-synuclein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6968 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 6968 _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 $intrinsically_disordered_alpha-synuclein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'recombinant from E.Coli' . . 6968 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6968 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The NMR sample contained 1.0 mM uniformly 13C-15N labeled alpha-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5 ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'intrinsically disordered alpha-synuclein' '[U-13C; U-15N]' . . 1 $intrinsically_disordered_alpha-synuclein . protein 1 . . mM . . . . 6968 1 2 KPi . . . . . . . 20 . . mM . . . . 6968 1 3 EDTA . . . . . . . 0.5 . . mM . . . . 6968 1 4 NaCl . . . . . . . 200 . . mM . . . . 6968 1 5 H2O . . . . . . . 90 . . % . . . . 6968 1 6 D2O . . . . . . . 10 . . % . . . . 6968 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6968 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The NMR sample contained 1.0 mM uniformly 13C-15N labeled alpha-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5 ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.05 pH 6968 1 temperature 285.5 0.5 K 6968 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6968 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 6968 1 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 6968 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'The 700 MHz NMR spectrometer was equipped with a TXO cryoprobe optimized for 13C direct detection' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6968 _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 COCON-IPAP no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6968 1 2 CBCACON-IPAP no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6968 1 3 HCBCACON-IPAP no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6968 1 4 HCBCANCO-IPAP no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6968 1 5 HNCACON-IPAP no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6968 1 6 HNCANCO-IPAP no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6968 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6968 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 6968 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 6968 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 6968 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6968 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 ; assignment obtained for 13C-15N alpha-synuclein at 285.5 K with the COCON-IPAP, CBCACON-IPAP, HCBCACON-IPAP, HCBCANCO-IPAP, HNCACON-IPAP and HNCANCO-IPAP experiments. The NMR sample contained 1.0 mM uniformly 13C-15N labeled a-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5. ; _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 COCON-IPAP 1 $sample_1 isotropic 6968 1 2 CBCACON-IPAP 1 $sample_1 isotropic 6968 1 3 HCBCACON-IPAP 1 $sample_1 isotropic 6968 1 4 HCBCANCO-IPAP 1 $sample_1 isotropic 6968 1 5 HNCACON-IPAP 1 $sample_1 isotropic 6968 1 6 HNCANCO-IPAP 1 $sample_1 isotropic 6968 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 HA H 1 4.11 0.01 . 1 . . . . 1 MET HA . 6968 1 2 . 1 1 1 1 MET HB2 H 1 2.15 0.01 . 2 . . . . 1 MET HB2 . 6968 1 3 . 1 1 1 1 MET HB3 H 1 2.15 0.01 . 2 . . . . 1 MET HB3 . 6968 1 4 . 1 1 1 1 MET C C 13 172.33 0.05 . 1 . . . . 1 MET C . 6968 1 5 . 1 1 1 1 MET CA C 13 55.10 0.05 . 1 . . . . 1 MET CA . 6968 1 6 . 1 1 1 1 MET CB C 13 33.02 0.05 . 1 . . . . 1 MET CB . 6968 1 7 . 1 1 2 2 ASP HA H 1 4.73 0.01 . 1 . . . . 2 ASP HA . 6968 1 8 . 1 1 2 2 ASP HB2 H 1 2.65 0.01 . 2 . . . . 2 ASP HB2 . 6968 1 9 . 1 1 2 2 ASP HB3 H 1 2.58 0.01 . 2 . . . . 2 ASP HB3 . 6968 1 10 . 1 1 2 2 ASP C C 13 175.84 0.05 . 1 . . . . 2 ASP C . 6968 1 11 . 1 1 2 2 ASP CA C 13 54.27 0.05 . 1 . . . . 2 ASP CA . 6968 1 12 . 1 1 2 2 ASP CB C 13 41.52 0.05 . 1 . . . . 2 ASP CB . 6968 1 13 . 1 1 2 2 ASP N N 15 124.84 0.03 . 1 . . . . 2 ASP N . 6968 1 14 . 1 1 3 3 VAL H H 1 8.35 0.01 . 1 . . . . 3 VAL H . 6968 1 15 . 1 1 3 3 VAL HA H 1 4.04 0.01 . 1 . . . . 3 VAL HA . 6968 1 16 . 1 1 3 3 VAL HB H 1 2.02 0.01 . 1 . . . . 3 VAL HB . 6968 1 17 . 1 1 3 3 VAL C C 13 175.91 0.05 . 1 . . . . 3 VAL C . 6968 1 18 . 1 1 3 3 VAL CA C 13 62.51 0.05 . 1 . . . . 3 VAL CA . 6968 1 19 . 1 1 3 3 VAL CB C 13 32.62 0.05 . 1 . . . . 3 VAL CB . 6968 1 20 . 1 1 3 3 VAL N N 15 120.59 0.03 . 1 . . . . 3 VAL N . 6968 1 21 . 1 1 4 4 PHE H H 1 8.43 0.01 . 1 . . . . 4 PHE H . 6968 1 22 . 1 1 4 4 PHE HA H 1 4.62 0.01 . 1 . . . . 4 PHE HA . 6968 1 23 . 1 1 4 4 PHE HB2 H 1 3.11 0.01 . 1 . . . . 4 PHE HB2 . 6968 1 24 . 1 1 4 4 PHE HB3 H 1 3.11 0.01 . 1 . . . . 4 PHE HB3 . 6968 1 25 . 1 1 4 4 PHE C C 13 175.85 0.05 . 1 . . . . 4 PHE C . 6968 1 26 . 1 1 4 4 PHE CA C 13 57.98 0.05 . 1 . . . . 4 PHE CA . 6968 1 27 . 1 1 4 4 PHE CB C 13 39.39 0.05 . 1 . . . . 4 PHE CB . 6968 1 28 . 1 1 4 4 PHE N N 15 123.73 0.03 . 1 . . . . 4 PHE N . 6968 1 29 . 1 1 5 5 MET H H 1 8.27 0.01 . 1 . . . . 5 MET H . 6968 1 30 . 1 1 5 5 MET HA H 1 4.33 0.01 . 1 . . . . 5 MET HA . 6968 1 31 . 1 1 5 5 MET HB2 H 1 2.55 0.01 . 2 . . . . 5 MET HB2 . 6968 1 32 . 1 1 5 5 MET HB3 H 1 2.47 0.01 . 2 . . . . 5 MET HB3 . 6968 1 33 . 1 1 5 5 MET C C 13 176.03 0.05 . 1 . . . . 5 MET C . 6968 1 34 . 1 1 5 5 MET CA C 13 55.67 0.05 . 1 . . . . 5 MET CA . 6968 1 35 . 1 1 5 5 MET CB C 13 31.96 0.05 . 1 . . . . 5 MET CB . 6968 1 36 . 1 1 5 5 MET N N 15 122.50 0.03 . 1 . . . . 5 MET N . 6968 1 37 . 1 1 6 6 LYS H H 1 8.34 0.01 . 1 . . . . 6 LYS H . 6968 1 38 . 1 1 6 6 LYS HA H 1 4.23 0.01 . 1 . . . . 6 LYS HA . 6968 1 39 . 1 1 6 6 LYS HB2 H 1 1.86 0.01 . 2 . . . . 6 LYS HB2 . 6968 1 40 . 1 1 6 6 LYS HB3 H 1 1.80 0.01 . 2 . . . . 6 LYS HB3 . 6968 1 41 . 1 1 6 6 LYS C C 13 177.19 0.05 . 1 . . . . 6 LYS C . 6968 1 42 . 1 1 6 6 LYS CA C 13 56.97 0.05 . 1 . . . . 6 LYS CA . 6968 1 43 . 1 1 6 6 LYS CB C 13 32.91 0.05 . 1 . . . . 6 LYS CB . 6968 1 44 . 1 1 6 6 LYS N N 15 122.77 0.03 . 1 . . . . 6 LYS N . 6968 1 45 . 1 1 7 7 GLY H H 1 8.48 0.01 . 1 . . . . 7 GLY H . 6968 1 46 . 1 1 7 7 GLY HA2 H 1 3.96 0.01 . 1 . . . . 7 GLY HA2 . 6968 1 47 . 1 1 7 7 GLY HA3 H 1 3.96 0.01 . 1 . . . . 7 GLY HA3 . 6968 1 48 . 1 1 7 7 GLY C C 13 174.22 0.05 . 1 . . . . 7 GLY C . 6968 1 49 . 1 1 7 7 GLY CA C 13 45.36 0.05 . 1 . . . . 7 GLY CA . 6968 1 50 . 1 1 7 7 GLY N N 15 110.00 0.03 . 1 . . . . 7 GLY N . 6968 1 51 . 1 1 8 8 LEU H H 1 8.12 0.01 . 1 . . . . 8 LEU H . 6968 1 52 . 1 1 8 8 LEU HA H 1 4.40 0.01 . 1 . . . . 8 LEU HA . 6968 1 53 . 1 1 8 8 LEU HB2 H 1 1.64 0.01 . 2 . . . . 8 LEU HB2 . 6968 1 54 . 1 1 8 8 LEU HB3 H 1 1.64 0.01 . 2 . . . . 8 LEU HB3 . 6968 1 55 . 1 1 8 8 LEU C C 13 177.70 0.05 . 1 . . . . 8 LEU C . 6968 1 56 . 1 1 8 8 LEU CA C 13 55.20 0.05 . 1 . . . . 8 LEU CA . 6968 1 57 . 1 1 8 8 LEU CB C 13 42.53 0.05 . 1 . . . . 8 LEU CB . 6968 1 58 . 1 1 8 8 LEU N N 15 121.66 0.03 . 1 . . . . 8 LEU N . 6968 1 59 . 1 1 9 9 SER H H 1 8.40 0.01 . 1 . . . . 9 SER H . 6968 1 60 . 1 1 9 9 SER HA H 1 4.43 0.01 . 1 . . . . 9 SER HA . 6968 1 61 . 1 1 9 9 SER HB2 H 1 3.87 0.01 . 2 . . . . 9 SER HB2 . 6968 1 62 . 1 1 9 9 SER HB3 H 1 3.87 0.01 . 2 . . . . 9 SER HB3 . 6968 1 63 . 1 1 9 9 SER C C 13 174.62 0.05 . 1 . . . . 9 SER C . 6968 1 64 . 1 1 9 9 SER CA C 13 58.44 0.05 . 1 . . . . 9 SER CA . 6968 1 65 . 1 1 9 9 SER CB C 13 63.82 0.05 . 1 . . . . 9 SER CB . 6968 1 66 . 1 1 9 9 SER N N 15 116.82 0.03 . 1 . . . . 9 SER N . 6968 1 67 . 1 1 10 10 LYS H H 1 8.44 0.01 . 1 . . . . 10 LYS H . 6968 1 68 . 1 1 10 10 LYS HA H 1 4.32 0.01 . 1 . . . . 10 LYS HA . 6968 1 69 . 1 1 10 10 LYS HB2 H 1 1.87 0.01 . 2 . . . . 10 LYS HB2 . 6968 1 70 . 1 1 10 10 LYS HB3 H 1 1.76 0.01 . 2 . . . . 10 LYS HB3 . 6968 1 71 . 1 1 10 10 LYS C C 13 176.52 0.05 . 1 . . . . 10 LYS C . 6968 1 72 . 1 1 10 10 LYS CA C 13 56.38 0.05 . 1 . . . . 10 LYS CA . 6968 1 73 . 1 1 10 10 LYS CB C 13 33.05 0.05 . 1 . . . . 10 LYS CB . 6968 1 74 . 1 1 10 10 LYS N N 15 123.74 0.03 . 1 . . . . 10 LYS N . 6968 1 75 . 1 1 11 11 ALA H H 1 8.36 0.01 . 1 . . . . 11 ALA H . 6968 1 76 . 1 1 11 11 ALA HA H 1 4.27 0.01 . 1 . . . . 11 ALA HA . 6968 1 77 . 1 1 11 11 ALA HB1 H 1 1.40 0.01 . 1 . . . . 11 ALA HB . 6968 1 78 . 1 1 11 11 ALA HB2 H 1 1.40 0.01 . 1 . . . . 11 ALA HB . 6968 1 79 . 1 1 11 11 ALA HB3 H 1 1.40 0.01 . 1 . . . . 11 ALA HB . 6968 1 80 . 1 1 11 11 ALA C C 13 177.97 0.05 . 1 . . . . 11 ALA C . 6968 1 81 . 1 1 11 11 ALA CA C 13 52.73 0.05 . 1 . . . . 11 ALA CA . 6968 1 82 . 1 1 11 11 ALA CB C 13 19.21 0.05 . 1 . . . . 11 ALA CB . 6968 1 83 . 1 1 11 11 ALA N N 15 125.37 0.03 . 1 . . . . 11 ALA N . 6968 1 84 . 1 1 12 12 LYS H H 1 8.41 0.01 . 1 . . . . 12 LYS H . 6968 1 85 . 1 1 12 12 LYS HA H 1 4.27 0.01 . 1 . . . . 12 LYS HA . 6968 1 86 . 1 1 12 12 LYS HB2 H 1 1.87 0.01 . 2 . . . . 12 LYS HB2 . 6968 1 87 . 1 1 12 12 LYS HB3 H 1 1.76 0.01 . 2 . . . . 12 LYS HB3 . 6968 1 88 . 1 1 12 12 LYS C C 13 176.74 0.05 . 1 . . . . 12 LYS C . 6968 1 89 . 1 1 12 12 LYS CA C 13 56.48 0.05 . 1 . . . . 12 LYS CA . 6968 1 90 . 1 1 12 12 LYS CB C 13 33.09 0.05 . 1 . . . . 12 LYS CB . 6968 1 91 . 1 1 12 12 LYS N N 15 120.99 0.03 . 1 . . . . 12 LYS N . 6968 1 92 . 1 1 13 13 GLU H H 1 8.52 0.01 . 1 . . . . 13 GLU H . 6968 1 93 . 1 1 13 13 GLU HA H 1 4.27 0.01 . 1 . . . . 13 GLU HA . 6968 1 94 . 1 1 13 13 GLU HB2 H 1 2.06 0.01 . 2 . . . . 13 GLU HB2 . 6968 1 95 . 1 1 13 13 GLU HB3 H 1 1.94 0.01 . 2 . . . . 13 GLU HB3 . 6968 1 96 . 1 1 13 13 GLU C C 13 177.09 0.05 . 1 . . . . 13 GLU C . 6968 1 97 . 1 1 13 13 GLU CA C 13 56.88 0.05 . 1 . . . . 13 GLU CA . 6968 1 98 . 1 1 13 13 GLU CB C 13 30.28 0.05 . 1 . . . . 13 GLU CB . 6968 1 99 . 1 1 13 13 GLU N N 15 122.18 0.03 . 1 . . . . 13 GLU N . 6968 1 100 . 1 1 14 14 GLY H H 1 8.53 0.01 . 1 . . . . 14 GLY H . 6968 1 101 . 1 1 14 14 GLY HA2 H 1 3.97 0.01 . 1 . . . . 14 GLY HA2 . 6968 1 102 . 1 1 14 14 GLY HA3 H 1 3.97 0.01 . 1 . . . . 14 GLY HA3 . 6968 1 103 . 1 1 14 14 GLY C C 13 174.08 0.05 . 1 . . . . 14 GLY C . 6968 1 104 . 1 1 14 14 GLY CA C 13 45.32 0.05 . 1 . . . . 14 GLY CA . 6968 1 105 . 1 1 14 14 GLY N N 15 110.22 0.03 . 1 . . . . 14 GLY N . 6968 1 106 . 1 1 15 15 VAL H H 1 8.04 0.01 . 1 . . . . 15 VAL H . 6968 1 107 . 1 1 15 15 VAL HA H 1 4.09 0.01 . 1 . . . . 15 VAL HA . 6968 1 108 . 1 1 15 15 VAL HB H 1 2.07 0.01 . 1 . . . . 15 VAL HB . 6968 1 109 . 1 1 15 15 VAL C C 13 176.52 0.05 . 1 . . . . 15 VAL C . 6968 1 110 . 1 1 15 15 VAL CA C 13 62.51 0.05 . 1 . . . . 15 VAL CA . 6968 1 111 . 1 1 15 15 VAL CB C 13 32.72 0.05 . 1 . . . . 15 VAL CB . 6968 1 112 . 1 1 15 15 VAL N N 15 120.26 0.03 . 1 . . . . 15 VAL N . 6968 1 113 . 1 1 16 16 VAL H H 1 8.36 0.01 . 1 . . . . 16 VAL H . 6968 1 114 . 1 1 16 16 VAL HA H 1 4.08 0.01 . 1 . . . . 16 VAL HA . 6968 1 115 . 1 1 16 16 VAL HB H 1 2.05 0.01 . 1 . . . . 16 VAL HB . 6968 1 116 . 1 1 16 16 VAL C C 13 176.07 0.05 . 1 . . . . 16 VAL C . 6968 1 117 . 1 1 16 16 VAL CA C 13 62.54 0.05 . 1 . . . . 16 VAL CA . 6968 1 118 . 1 1 16 16 VAL CB C 13 32.75 0.05 . 1 . . . . 16 VAL CB . 6968 1 119 . 1 1 16 16 VAL N N 15 125.35 0.03 . 1 . . . . 16 VAL N . 6968 1 120 . 1 1 17 17 ALA H H 1 8.52 0.01 . 1 . . . . 17 ALA H . 6968 1 121 . 1 1 17 17 ALA HA H 1 4.28 0.01 . 1 . . . . 17 ALA HA . 6968 1 122 . 1 1 17 17 ALA HB1 H 1 1.40 0.01 . 1 . . . . 17 ALA HB . 6968 1 123 . 1 1 17 17 ALA HB2 H 1 1.40 0.01 . 1 . . . . 17 ALA HB . 6968 1 124 . 1 1 17 17 ALA HB3 H 1 1.40 0.01 . 1 . . . . 17 ALA HB . 6968 1 125 . 1 1 17 17 ALA C C 13 177.74 0.05 . 1 . . . . 17 ALA C . 6968 1 126 . 1 1 17 17 ALA CA C 13 52.58 0.05 . 1 . . . . 17 ALA CA . 6968 1 127 . 1 1 17 17 ALA CB C 13 19.21 0.05 . 1 . . . . 17 ALA CB . 6968 1 128 . 1 1 17 17 ALA N N 15 128.55 0.03 . 1 . . . . 17 ALA N . 6968 1 129 . 1 1 18 18 ALA H H 1 8.38 0.01 . 1 . . . . 18 ALA H . 6968 1 130 . 1 1 18 18 ALA HA H 1 4.25 0.01 . 1 . . . . 18 ALA HA . 6968 1 131 . 1 1 18 18 ALA HB1 H 1 1.41 0.01 . 1 . . . . 18 ALA HB . 6968 1 132 . 1 1 18 18 ALA HB2 H 1 1.41 0.01 . 1 . . . . 18 ALA HB . 6968 1 133 . 1 1 18 18 ALA HB3 H 1 1.41 0.01 . 1 . . . . 18 ALA HB . 6968 1 134 . 1 1 18 18 ALA C C 13 177.97 0.05 . 1 . . . . 18 ALA C . 6968 1 135 . 1 1 18 18 ALA CA C 13 52.81 0.05 . 1 . . . . 18 ALA CA . 6968 1 136 . 1 1 18 18 ALA CB C 13 19.11 0.05 . 1 . . . . 18 ALA CB . 6968 1 137 . 1 1 18 18 ALA N N 15 123.79 0.03 . 1 . . . . 18 ALA N . 6968 1 138 . 1 1 19 19 ALA H H 1 8.35 0.01 . 1 . . . . 19 ALA H . 6968 1 139 . 1 1 19 19 ALA HA H 1 4.28 0.01 . 1 . . . . 19 ALA HA . 6968 1 140 . 1 1 19 19 ALA HB1 H 1 1.42 0.01 . 1 . . . . 19 ALA HB . 6968 1 141 . 1 1 19 19 ALA HB2 H 1 1.42 0.01 . 1 . . . . 19 ALA HB . 6968 1 142 . 1 1 19 19 ALA HB3 H 1 1.42 0.01 . 1 . . . . 19 ALA HB . 6968 1 143 . 1 1 19 19 ALA C C 13 178.25 0.05 . 1 . . . . 19 ALA C . 6968 1 144 . 1 1 19 19 ALA CA C 13 52.81 0.05 . 1 . . . . 19 ALA CA . 6968 1 145 . 1 1 19 19 ALA CB C 13 19.14 0.05 . 1 . . . . 19 ALA CB . 6968 1 146 . 1 1 19 19 ALA N N 15 123.20 0.03 . 1 . . . . 19 ALA N . 6968 1 147 . 1 1 20 20 GLU H H 1 8.39 0.01 . 1 . . . . 20 GLU H . 6968 1 148 . 1 1 20 20 GLU HA H 1 4.24 0.01 . 1 . . . . 20 GLU HA . 6968 1 149 . 1 1 20 20 GLU HB2 H 1 2.07 0.01 . 2 . . . . 20 GLU HB2 . 6968 1 150 . 1 1 20 20 GLU HB3 H 1 1.99 0.01 . 2 . . . . 20 GLU HB3 . 6968 1 151 . 1 1 20 20 GLU C C 13 176.97 0.05 . 1 . . . . 20 GLU C . 6968 1 152 . 1 1 20 20 GLU CA C 13 56.82 0.05 . 1 . . . . 20 GLU CA . 6968 1 153 . 1 1 20 20 GLU CB C 13 30.17 0.05 . 1 . . . . 20 GLU CB . 6968 1 154 . 1 1 20 20 GLU N N 15 120.19 0.03 . 1 . . . . 20 GLU N . 6968 1 155 . 1 1 21 21 LYS H H 1 8.41 0.01 . 1 . . . . 21 LYS H . 6968 1 156 . 1 1 21 21 LYS HA H 1 4.35 0.01 . 1 . . . . 21 LYS HA . 6968 1 157 . 1 1 21 21 LYS HB2 H 1 1.89 0.01 . 2 . . . . 21 LYS HB2 . 6968 1 158 . 1 1 21 21 LYS HB3 H 1 1.82 0.01 . 2 . . . . 21 LYS HB3 . 6968 1 159 . 1 1 21 21 LYS C C 13 177.20 0.05 . 1 . . . . 21 LYS C . 6968 1 160 . 1 1 21 21 LYS CA C 13 56.80 0.05 . 1 . . . . 21 LYS CA . 6968 1 161 . 1 1 21 21 LYS CB C 13 32.88 0.05 . 1 . . . . 21 LYS CB . 6968 1 162 . 1 1 21 21 LYS N N 15 122.39 0.03 . 1 . . . . 21 LYS N . 6968 1 163 . 1 1 22 22 THR H H 1 8.21 0.01 . 1 . . . . 22 THR H . 6968 1 164 . 1 1 22 22 THR HA H 1 4.32 0.01 . 1 . . . . 22 THR HA . 6968 1 165 . 1 1 22 22 THR HB H 1 4.24 0.01 . 1 . . . . 22 THR HB . 6968 1 166 . 1 1 22 22 THR C C 13 174.75 0.05 . 1 . . . . 22 THR C . 6968 1 167 . 1 1 22 22 THR CA C 13 62.21 0.05 . 1 . . . . 22 THR CA . 6968 1 168 . 1 1 22 22 THR CB C 13 69.89 0.05 . 1 . . . . 22 THR CB . 6968 1 169 . 1 1 22 22 THR N N 15 115.46 0.03 . 1 . . . . 22 THR N . 6968 1 170 . 1 1 23 23 LYS H H 1 8.42 0.01 . 1 . . . . 23 LYS H . 6968 1 171 . 1 1 23 23 LYS HA H 1 4.31 0.01 . 1 . . . . 23 LYS HA . 6968 1 172 . 1 1 23 23 LYS HB2 H 1 1.84 0.01 . 2 . . . . 23 LYS HB2 . 6968 1 173 . 1 1 23 23 LYS HB3 H 1 1.79 0.01 . 2 . . . . 23 LYS HB3 . 6968 1 174 . 1 1 23 23 LYS C C 13 176.76 0.05 . 1 . . . . 23 LYS C . 6968 1 175 . 1 1 23 23 LYS CA C 13 56.74 0.05 . 1 . . . . 23 LYS CA . 6968 1 176 . 1 1 23 23 LYS CB C 13 32.94 0.05 . 1 . . . . 23 LYS CB . 6968 1 177 . 1 1 23 23 LYS N N 15 123.91 0.03 . 1 . . . . 23 LYS N . 6968 1 178 . 1 1 24 24 GLN H H 1 8.50 0.01 . 1 . . . . 24 GLN H . 6968 1 179 . 1 1 24 24 GLN HA H 1 4.32 0.01 . 1 . . . . 24 GLN HA . 6968 1 180 . 1 1 24 24 GLN HB2 H 1 2.13 0.01 . 2 . . . . 24 GLN HB2 . 6968 1 181 . 1 1 24 24 GLN HB3 H 1 2.03 0.01 . 2 . . . . 24 GLN HB3 . 6968 1 182 . 1 1 24 24 GLN C C 13 176.66 0.05 . 1 . . . . 24 GLN C . 6968 1 183 . 1 1 24 24 GLN CA C 13 56.26 0.05 . 1 . . . . 24 GLN CA . 6968 1 184 . 1 1 24 24 GLN CB C 13 29.44 0.05 . 1 . . . . 24 GLN CB . 6968 1 185 . 1 1 24 24 GLN N N 15 121.81 0.03 . 1 . . . . 24 GLN N . 6968 1 186 . 1 1 25 25 GLY H H 1 8.56 0.01 . 1 . . . . 25 GLY H . 6968 1 187 . 1 1 25 25 GLY HA2 H 1 3.99 0.01 . 1 . . . . 25 GLY HA2 . 6968 1 188 . 1 1 25 25 GLY HA3 H 1 3.99 0.01 . 1 . . . . 25 GLY HA3 . 6968 1 189 . 1 1 25 25 GLY C C 13 174.32 0.05 . 1 . . . . 25 GLY C . 6968 1 190 . 1 1 25 25 GLY CA C 13 45.40 0.05 . 1 . . . . 25 GLY CA . 6968 1 191 . 1 1 25 25 GLY N N 15 110.64 0.03 . 1 . . . . 25 GLY N . 6968 1 192 . 1 1 26 26 VAL H H 1 8.07 0.01 . 1 . . . . 26 VAL H . 6968 1 193 . 1 1 26 26 VAL HA H 1 4.08 0.01 . 1 . . . . 26 VAL HA . 6968 1 194 . 1 1 26 26 VAL HB H 1 2.10 0.01 . 1 . . . . 26 VAL HB . 6968 1 195 . 1 1 26 26 VAL C C 13 176.44 0.05 . 1 . . . . 26 VAL C . 6968 1 196 . 1 1 26 26 VAL CA C 13 62.64 0.05 . 1 . . . . 26 VAL CA . 6968 1 197 . 1 1 26 26 VAL CB C 13 32.72 0.05 . 1 . . . . 26 VAL CB . 6968 1 198 . 1 1 26 26 VAL N N 15 119.91 0.03 . 1 . . . . 26 VAL N . 6968 1 199 . 1 1 27 27 ALA H H 1 8.49 0.01 . 1 . . . . 27 ALA H . 6968 1 200 . 1 1 27 27 ALA HA H 1 4.30 0.01 . 1 . . . . 27 ALA HA . 6968 1 201 . 1 1 27 27 ALA HB1 H 1 1.41 0.01 . 1 . . . . 27 ALA HB . 6968 1 202 . 1 1 27 27 ALA HB2 H 1 1.41 0.01 . 1 . . . . 27 ALA HB . 6968 1 203 . 1 1 27 27 ALA HB3 H 1 1.41 0.01 . 1 . . . . 27 ALA HB . 6968 1 204 . 1 1 27 27 ALA C C 13 178.20 0.05 . 1 . . . . 27 ALA C . 6968 1 205 . 1 1 27 27 ALA CA C 13 52.86 0.05 . 1 . . . . 27 ALA CA . 6968 1 206 . 1 1 27 27 ALA CB C 13 19.02 0.05 . 1 . . . . 27 ALA CB . 6968 1 207 . 1 1 27 27 ALA N N 15 127.49 0.03 . 1 . . . . 27 ALA N . 6968 1 208 . 1 1 28 28 GLU H H 1 8.47 0.01 . 1 . . . . 28 GLU H . 6968 1 209 . 1 1 28 28 GLU HA H 1 4.21 0.01 . 1 . . . . 28 GLU HA . 6968 1 210 . 1 1 28 28 GLU HB2 H 1 2.04 0.01 . 2 . . . . 28 GLU HB2 . 6968 1 211 . 1 1 28 28 GLU HB3 H 1 1.97 0.01 . 2 . . . . 28 GLU HB3 . 6968 1 212 . 1 1 28 28 GLU C C 13 176.72 0.05 . 1 . . . . 28 GLU C . 6968 1 213 . 1 1 28 28 GLU CA C 13 56.91 0.05 . 1 . . . . 28 GLU CA . 6968 1 214 . 1 1 28 28 GLU CB C 13 30.22 0.05 . 1 . . . . 28 GLU CB . 6968 1 215 . 1 1 28 28 GLU N N 15 120.67 0.03 . 1 . . . . 28 GLU N . 6968 1 216 . 1 1 29 29 ALA H H 1 8.37 0.01 . 1 . . . . 29 ALA H . 6968 1 217 . 1 1 29 29 ALA HA H 1 4.28 0.01 . 1 . . . . 29 ALA HA . 6968 1 218 . 1 1 29 29 ALA HB1 H 1 1.41 0.01 . 1 . . . . 29 ALA HB . 6968 1 219 . 1 1 29 29 ALA HB2 H 1 1.41 0.01 . 1 . . . . 29 ALA HB . 6968 1 220 . 1 1 29 29 ALA HB3 H 1 1.41 0.01 . 1 . . . . 29 ALA HB . 6968 1 221 . 1 1 29 29 ALA C C 13 177.80 0.05 . 1 . . . . 29 ALA C . 6968 1 222 . 1 1 29 29 ALA CA C 13 52.76 0.05 . 1 . . . . 29 ALA CA . 6968 1 223 . 1 1 29 29 ALA CB C 13 19.13 0.05 . 1 . . . . 29 ALA CB . 6968 1 224 . 1 1 29 29 ALA N N 15 125.02 0.03 . 1 . . . . 29 ALA N . 6968 1 225 . 1 1 30 30 ALA H H 1 8.31 0.01 . 1 . . . . 30 ALA H . 6968 1 226 . 1 1 30 30 ALA HA H 1 4.30 0.01 . 1 . . . . 30 ALA HA . 6968 1 227 . 1 1 30 30 ALA HB1 H 1 1.43 0.01 . 1 . . . . 30 ALA HB . 6968 1 228 . 1 1 30 30 ALA HB2 H 1 1.43 0.01 . 1 . . . . 30 ALA HB . 6968 1 229 . 1 1 30 30 ALA HB3 H 1 1.43 0.01 . 1 . . . . 30 ALA HB . 6968 1 230 . 1 1 30 30 ALA C C 13 178.51 0.05 . 1 . . . . 30 ALA C . 6968 1 231 . 1 1 30 30 ALA CA C 13 52.87 0.05 . 1 . . . . 30 ALA CA . 6968 1 232 . 1 1 30 30 ALA CB C 13 19.12 0.05 . 1 . . . . 30 ALA CB . 6968 1 233 . 1 1 30 30 ALA N N 15 123.16 0.03 . 1 . . . . 30 ALA N . 6968 1 234 . 1 1 31 31 GLY H H 1 8.38 0.01 . 1 . . . . 31 GLY H . 6968 1 235 . 1 1 31 31 GLY HA2 H 1 3.96 0.01 . 1 . . . . 31 GLY HA2 . 6968 1 236 . 1 1 31 31 GLY HA3 H 1 3.96 0.01 . 1 . . . . 31 GLY HA3 . 6968 1 237 . 1 1 31 31 GLY C C 13 174.23 0.05 . 1 . . . . 31 GLY C . 6968 1 238 . 1 1 31 31 GLY CA C 13 45.34 0.05 . 1 . . . . 31 GLY CA . 6968 1 239 . 1 1 31 31 GLY N N 15 107.89 0.03 . 1 . . . . 31 GLY N . 6968 1 240 . 1 1 32 32 LYS H H 1 8.18 0.01 . 1 . . . . 32 LYS H . 6968 1 241 . 1 1 32 32 LYS HA H 1 4.43 0.01 . 1 . . . . 32 LYS HA . 6968 1 242 . 1 1 32 32 LYS HB2 H 1 1.89 0.01 . 2 . . . . 32 LYS HB2 . 6968 1 243 . 1 1 32 32 LYS HB3 H 1 1.81 0.01 . 2 . . . . 32 LYS HB3 . 6968 1 244 . 1 1 32 32 LYS C C 13 177.05 0.05 . 1 . . . . 32 LYS C . 6968 1 245 . 1 1 32 32 LYS CA C 13 56.31 0.05 . 1 . . . . 32 LYS CA . 6968 1 246 . 1 1 32 32 LYS CB C 13 32.96 0.05 . 1 . . . . 32 LYS CB . 6968 1 247 . 1 1 32 32 LYS N N 15 120.82 0.03 . 1 . . . . 32 LYS N . 6968 1 248 . 1 1 33 33 THR H H 1 8.30 0.01 . 1 . . . . 33 THR H . 6968 1 249 . 1 1 33 33 THR HA H 1 4.34 0.01 . 1 . . . . 33 THR HA . 6968 1 250 . 1 1 33 33 THR HB H 1 4.24 0.01 . 1 . . . . 33 THR HB . 6968 1 251 . 1 1 33 33 THR C C 13 174.71 0.05 . 1 . . . . 33 THR C . 6968 1 252 . 1 1 33 33 THR CA C 13 62.03 0.05 . 1 . . . . 33 THR CA . 6968 1 253 . 1 1 33 33 THR CB C 13 69.91 0.05 . 1 . . . . 33 THR CB . 6968 1 254 . 1 1 33 33 THR N N 15 115.73 0.03 . 1 . . . . 33 THR N . 6968 1 255 . 1 1 34 34 LYS H H 1 8.54 0.01 . 1 . . . . 34 LYS H . 6968 1 256 . 1 1 34 34 LYS HA H 1 4.31 0.01 . 1 . . . . 34 LYS HA . 6968 1 257 . 1 1 34 34 LYS HB2 H 1 1.85 0.01 . 2 . . . . 34 LYS HB2 . 6968 1 258 . 1 1 34 34 LYS HB3 H 1 1.78 0.01 . 2 . . . . 34 LYS HB3 . 6968 1 259 . 1 1 34 34 LYS C C 13 176.60 0.05 . 1 . . . . 34 LYS C . 6968 1 260 . 1 1 34 34 LYS CA C 13 56.58 0.05 . 1 . . . . 34 LYS CA . 6968 1 261 . 1 1 34 34 LYS CB C 13 32.97 0.05 . 1 . . . . 34 LYS CB . 6968 1 262 . 1 1 34 34 LYS N N 15 124.01 0.03 . 1 . . . . 34 LYS N . 6968 1 263 . 1 1 35 35 GLU H H 1 8.52 0.01 . 1 . . . . 35 GLU H . 6968 1 264 . 1 1 35 35 GLU HA H 1 4.27 0.01 . 1 . . . . 35 GLU HA . 6968 1 265 . 1 1 35 35 GLU HB2 H 1 2.08 0.01 . 2 . . . . 35 GLU HB2 . 6968 1 266 . 1 1 35 35 GLU HB3 H 1 1.95 0.01 . 2 . . . . 35 GLU HB3 . 6968 1 267 . 1 1 35 35 GLU C C 13 177.00 0.05 . 1 . . . . 35 GLU C . 6968 1 268 . 1 1 35 35 GLU CA C 13 56.87 0.05 . 1 . . . . 35 GLU CA . 6968 1 269 . 1 1 35 35 GLU CB C 13 30.27 0.05 . 1 . . . . 35 GLU CB . 6968 1 270 . 1 1 35 35 GLU N N 15 122.12 0.03 . 1 . . . . 35 GLU N . 6968 1 271 . 1 1 36 36 GLY H H 1 8.51 0.01 . 1 . . . . 36 GLY H . 6968 1 272 . 1 1 36 36 GLY HA2 H 1 3.99 0.01 . 1 . . . . 36 GLY HA2 . 6968 1 273 . 1 1 36 36 GLY HA3 H 1 3.99 0.01 . 1 . . . . 36 GLY HA3 . 6968 1 274 . 1 1 36 36 GLY C C 13 174.05 0.05 . 1 . . . . 36 GLY C . 6968 1 275 . 1 1 36 36 GLY CA C 13 45.28 0.05 . 1 . . . . 36 GLY CA . 6968 1 276 . 1 1 36 36 GLY N N 15 110.09 0.03 . 1 . . . . 36 GLY N . 6968 1 277 . 1 1 37 37 VAL H H 1 7.97 0.01 . 1 . . . . 37 VAL H . 6968 1 278 . 1 1 37 37 VAL HA H 1 4.08 0.01 . 1 . . . . 37 VAL HA . 6968 1 279 . 1 1 37 37 VAL HB H 1 2.05 0.01 . 1 . . . . 37 VAL HB . 6968 1 280 . 1 1 37 37 VAL C C 13 175.96 0.05 . 1 . . . . 37 VAL C . 6968 1 281 . 1 1 37 37 VAL CA C 13 62.37 0.05 . 1 . . . . 37 VAL CA . 6968 1 282 . 1 1 37 37 VAL CB C 13 32.75 0.05 . 1 . . . . 37 VAL CB . 6968 1 283 . 1 1 37 37 VAL N N 15 119.65 0.03 . 1 . . . . 37 VAL N . 6968 1 284 . 1 1 38 38 LEU H H 1 8.36 0.01 . 1 . . . . 38 LEU H . 6968 1 285 . 1 1 38 38 LEU HA H 1 4.35 0.01 . 1 . . . . 38 LEU HA . 6968 1 286 . 1 1 38 38 LEU HB2 H 1 1.57 0.01 . 2 . . . . 38 LEU HB2 . 6968 1 287 . 1 1 38 38 LEU HB3 H 1 1.47 0.01 . 2 . . . . 38 LEU HB3 . 6968 1 288 . 1 1 38 38 LEU C C 13 176.69 0.05 . 1 . . . . 38 LEU C . 6968 1 289 . 1 1 38 38 LEU CA C 13 55.00 0.05 . 1 . . . . 38 LEU CA . 6968 1 290 . 1 1 38 38 LEU CB C 13 42.52 0.05 . 1 . . . . 38 LEU CB . 6968 1 291 . 1 1 38 38 LEU N N 15 125.94 0.03 . 1 . . . . 38 LEU N . 6968 1 292 . 1 1 39 39 TYR H H 1 8.34 0.01 . 1 . . . . 39 TYR H . 6968 1 293 . 1 1 39 39 TYR HA H 1 4.60 0.01 . 1 . . . . 39 TYR HA . 6968 1 294 . 1 1 39 39 TYR HB2 H 1 2.98 0.01 . 2 . . . . 39 TYR HB2 . 6968 1 295 . 1 1 39 39 TYR HB3 H 1 2.98 0.01 . 2 . . . . 39 TYR HB3 . 6968 1 296 . 1 1 39 39 TYR C C 13 175.62 0.05 . 1 . . . . 39 TYR C . 6968 1 297 . 1 1 39 39 TYR CA C 13 57.93 0.05 . 1 . . . . 39 TYR CA . 6968 1 298 . 1 1 39 39 TYR CB C 13 38.89 0.05 . 1 . . . . 39 TYR CB . 6968 1 299 . 1 1 39 39 TYR N N 15 122.57 0.03 . 1 . . . . 39 TYR N . 6968 1 300 . 1 1 40 40 VAL H H 1 8.15 0.01 . 1 . . . . 40 VAL H . 6968 1 301 . 1 1 40 40 VAL HA H 1 4.08 0.01 . 1 . . . . 40 VAL HA . 6968 1 302 . 1 1 40 40 VAL HB H 1 2.04 0.01 . 1 . . . . 40 VAL HB . 6968 1 303 . 1 1 40 40 VAL C C 13 176.18 0.05 . 1 . . . . 40 VAL C . 6968 1 304 . 1 1 40 40 VAL CA C 13 62.21 0.05 . 1 . . . . 40 VAL CA . 6968 1 305 . 1 1 40 40 VAL CB C 13 32.83 0.05 . 1 . . . . 40 VAL CB . 6968 1 306 . 1 1 40 40 VAL N N 15 123.46 0.03 . 1 . . . . 40 VAL N . 6968 1 307 . 1 1 41 41 GLY H H 1 8.11 0.01 . 1 . . . . 41 GLY H . 6968 1 308 . 1 1 41 41 GLY HA2 H 1 3.95 0.01 . 1 . . . . 41 GLY HA2 . 6968 1 309 . 1 1 41 41 GLY HA3 H 1 3.95 0.01 . 1 . . . . 41 GLY HA3 . 6968 1 310 . 1 1 41 41 GLY C C 13 173.98 0.05 . 1 . . . . 41 GLY C . 6968 1 311 . 1 1 41 41 GLY CA C 13 45.17 0.05 . 1 . . . . 41 GLY CA . 6968 1 312 . 1 1 41 41 GLY N N 15 112.28 0.03 . 1 . . . . 41 GLY N . 6968 1 313 . 1 1 42 42 SER H H 1 8.33 0.01 . 1 . . . . 42 SER H . 6968 1 314 . 1 1 42 42 SER HA H 1 4.46 0.01 . 1 . . . . 42 SER HA . 6968 1 315 . 1 1 42 42 SER HB2 H 1 3.88 0.01 . 2 . . . . 42 SER HB2 . 6968 1 316 . 1 1 42 42 SER HB3 H 1 3.88 0.01 . 2 . . . . 42 SER HB3 . 6968 1 317 . 1 1 42 42 SER C C 13 174.82 0.05 . 1 . . . . 42 SER C . 6968 1 318 . 1 1 42 42 SER CA C 13 58.39 0.05 . 1 . . . . 42 SER CA . 6968 1 319 . 1 1 42 42 SER CB C 13 63.89 0.05 . 1 . . . . 42 SER CB . 6968 1 320 . 1 1 42 42 SER N N 15 115.72 0.03 . 1 . . . . 42 SER N . 6968 1 321 . 1 1 43 43 LYS H H 1 8.55 0.01 . 1 . . . . 43 LYS H . 6968 1 322 . 1 1 43 43 LYS HA H 1 4.43 0.01 . 1 . . . . 43 LYS HA . 6968 1 323 . 1 1 43 43 LYS HB2 H 1 1.88 0.01 . 2 . . . . 43 LYS HB2 . 6968 1 324 . 1 1 43 43 LYS HB3 H 1 1.79 0.01 . 2 . . . . 43 LYS HB3 . 6968 1 325 . 1 1 43 43 LYS C C 13 176.92 0.05 . 1 . . . . 43 LYS C . 6968 1 326 . 1 1 43 43 LYS CA C 13 56.47 0.05 . 1 . . . . 43 LYS CA . 6968 1 327 . 1 1 43 43 LYS CB C 13 33.02 0.05 . 1 . . . . 43 LYS CB . 6968 1 328 . 1 1 43 43 LYS N N 15 123.57 0.03 . 1 . . . . 43 LYS N . 6968 1 329 . 1 1 44 44 THR H H 1 8.25 0.01 . 1 . . . . 44 THR H . 6968 1 330 . 1 1 44 44 THR HA H 1 4.33 0.01 . 1 . . . . 44 THR HA . 6968 1 331 . 1 1 44 44 THR HB H 1 4.23 0.01 . 1 . . . . 44 THR HB . 6968 1 332 . 1 1 44 44 THR C C 13 174.63 0.05 . 1 . . . . 44 THR C . 6968 1 333 . 1 1 44 44 THR CA C 13 61.93 0.05 . 1 . . . . 44 THR CA . 6968 1 334 . 1 1 44 44 THR CB C 13 69.92 0.05 . 1 . . . . 44 THR CB . 6968 1 335 . 1 1 44 44 THR N N 15 115.62 0.03 . 1 . . . . 44 THR N . 6968 1 336 . 1 1 45 45 LYS H H 1 8.54 0.01 . 1 . . . . 45 LYS H . 6968 1 337 . 1 1 45 45 LYS HA H 1 4.31 0.01 . 1 . . . . 45 LYS HA . 6968 1 338 . 1 1 45 45 LYS HB2 H 1 1.86 0.01 . 2 . . . . 45 LYS HB2 . 6968 1 339 . 1 1 45 45 LYS HB3 H 1 1.77 0.01 . 2 . . . . 45 LYS HB3 . 6968 1 340 . 1 1 45 45 LYS C C 13 176.60 0.05 . 1 . . . . 45 LYS C . 6968 1 341 . 1 1 45 45 LYS CA C 13 56.61 0.05 . 1 . . . . 45 LYS CA . 6968 1 342 . 1 1 45 45 LYS CB C 13 32.97 0.05 . 1 . . . . 45 LYS CB . 6968 1 343 . 1 1 45 45 LYS N N 15 123.95 0.03 . 1 . . . . 45 LYS N . 6968 1 344 . 1 1 46 46 GLU H H 1 8.54 0.01 . 1 . . . . 46 GLU H . 6968 1 345 . 1 1 46 46 GLU HA H 1 4.26 0.01 . 1 . . . . 46 GLU HA . 6968 1 346 . 1 1 46 46 GLU HB2 H 1 2.08 0.01 . 2 . . . . 46 GLU HB2 . 6968 1 347 . 1 1 46 46 GLU HB3 H 1 1.94 0.01 . 2 . . . . 46 GLU HB3 . 6968 1 348 . 1 1 46 46 GLU C C 13 176.98 0.05 . 1 . . . . 46 GLU C . 6968 1 349 . 1 1 46 46 GLU CA C 13 56.86 0.05 . 1 . . . . 46 GLU CA . 6968 1 350 . 1 1 46 46 GLU CB C 13 30.31 0.05 . 1 . . . . 46 GLU CB . 6968 1 351 . 1 1 46 46 GLU N N 15 122.15 0.03 . 1 . . . . 46 GLU N . 6968 1 352 . 1 1 47 47 GLY H H 1 8.50 0.01 . 1 . . . . 47 GLY H . 6968 1 353 . 1 1 47 47 GLY HA2 H 1 3.96 0.01 . 1 . . . . 47 GLY HA2 . 6968 1 354 . 1 1 47 47 GLY HA3 H 1 3.96 0.01 . 1 . . . . 47 GLY HA3 . 6968 1 355 . 1 1 47 47 GLY C C 13 173.90 0.05 . 1 . . . . 47 GLY C . 6968 1 356 . 1 1 47 47 GLY CA C 13 45.26 0.05 . 1 . . . . 47 GLY CA . 6968 1 357 . 1 1 47 47 GLY N N 15 110.13 0.03 . 1 . . . . 47 GLY N . 6968 1 358 . 1 1 48 48 VAL H H 1 7.99 0.01 . 1 . . . . 48 VAL H . 6968 1 359 . 1 1 48 48 VAL HA H 1 4.11 0.01 . 1 . . . . 48 VAL HA . 6968 1 360 . 1 1 48 48 VAL HB H 1 2.01 0.01 . 1 . . . . 48 VAL HB . 6968 1 361 . 1 1 48 48 VAL C C 13 176.09 0.05 . 1 . . . . 48 VAL C . 6968 1 362 . 1 1 48 48 VAL CA C 13 62.28 0.05 . 1 . . . . 48 VAL CA . 6968 1 363 . 1 1 48 48 VAL CB C 13 32.82 0.05 . 1 . . . . 48 VAL CB . 6968 1 364 . 1 1 48 48 VAL N N 15 120.01 0.03 . 1 . . . . 48 VAL N . 6968 1 365 . 1 1 49 49 VAL H H 1 8.37 0.01 . 1 . . . . 49 VAL H . 6968 1 366 . 1 1 49 49 VAL HA H 1 4.08 0.01 . 1 . . . . 49 VAL HA . 6968 1 367 . 1 1 49 49 VAL HB H 1 1.98 0.01 . 1 . . . . 49 VAL HB . 6968 1 368 . 1 1 49 49 VAL C C 13 175.94 0.05 . 1 . . . . 49 VAL C . 6968 1 369 . 1 1 49 49 VAL CA C 13 62.21 0.05 . 1 . . . . 49 VAL CA . 6968 1 370 . 1 1 49 49 VAL CB C 13 32.73 0.05 . 1 . . . . 49 VAL CB . 6968 1 371 . 1 1 49 49 VAL N N 15 125.13 0.03 . 1 . . . . 49 VAL N . 6968 1 372 . 1 1 50 50 HIS H H 1 8.69 0.01 . 1 . . . . 50 HIS H . 6968 1 373 . 1 1 50 50 HIS HA H 1 4.70 0.01 . 1 . . . . 50 HIS HA . 6968 1 374 . 1 1 50 50 HIS HB2 H 1 3.23 0.01 . 2 . . . . 50 HIS HB2 . 6968 1 375 . 1 1 50 50 HIS HB3 H 1 3.14 0.01 . 2 . . . . 50 HIS HB3 . 6968 1 376 . 1 1 50 50 HIS C C 13 175.25 0.05 . 1 . . . . 50 HIS C . 6968 1 377 . 1 1 50 50 HIS CA C 13 55.70 0.05 . 1 . . . . 50 HIS CA . 6968 1 378 . 1 1 50 50 HIS CB C 13 30.06 0.05 . 1 . . . . 50 HIS CB . 6968 1 379 . 1 1 50 50 HIS N N 15 124.10 0.03 . 1 . . . . 50 HIS N . 6968 1 380 . 1 1 51 51 GLY H H 1 8.53 0.01 . 1 . . . . 51 GLY H . 6968 1 381 . 1 1 51 51 GLY HA2 H 1 3.97 0.01 . 1 . . . . 51 GLY HA2 . 6968 1 382 . 1 1 51 51 GLY HA3 H 1 3.97 0.01 . 1 . . . . 51 GLY HA3 . 6968 1 383 . 1 1 51 51 GLY C C 13 173.79 0.05 . 1 . . . . 51 GLY C . 6968 1 384 . 1 1 51 51 GLY CA C 13 45.17 0.05 . 1 . . . . 51 GLY CA . 6968 1 385 . 1 1 51 51 GLY N N 15 110.72 0.03 . 1 . . . . 51 GLY N . 6968 1 386 . 1 1 52 52 VAL H H 1 8.14 0.01 . 1 . . . . 52 VAL H . 6968 1 387 . 1 1 52 52 VAL HA H 1 4.16 0.01 . 1 . . . . 52 VAL HA . 6968 1 388 . 1 1 52 52 VAL HB H 1 2.08 0.01 . 1 . . . . 52 VAL HB . 6968 1 389 . 1 1 52 52 VAL C C 13 175.98 0.05 . 1 . . . . 52 VAL C . 6968 1 390 . 1 1 52 52 VAL CA C 13 62.03 0.05 . 1 . . . . 52 VAL CA . 6968 1 391 . 1 1 52 52 VAL CB C 13 32.98 0.05 . 1 . . . . 52 VAL CB . 6968 1 392 . 1 1 52 52 VAL N N 15 119.69 0.03 . 1 . . . . 52 VAL N . 6968 1 393 . 1 1 53 53 ALA H H 1 8.57 0.01 . 1 . . . . 53 ALA H . 6968 1 394 . 1 1 53 53 ALA HA H 1 4.42 0.01 . 1 . . . . 53 ALA HA . 6968 1 395 . 1 1 53 53 ALA HB1 H 1 1.40 0.01 . 1 . . . . 53 ALA HB . 6968 1 396 . 1 1 53 53 ALA HB2 H 1 1.40 0.01 . 1 . . . . 53 ALA HB . 6968 1 397 . 1 1 53 53 ALA HB3 H 1 1.40 0.01 . 1 . . . . 53 ALA HB . 6968 1 398 . 1 1 53 53 ALA C C 13 177.87 0.05 . 1 . . . . 53 ALA C . 6968 1 399 . 1 1 53 53 ALA CA C 13 52.44 0.05 . 1 . . . . 53 ALA CA . 6968 1 400 . 1 1 53 53 ALA CB C 13 19.30 0.05 . 1 . . . . 53 ALA CB . 6968 1 401 . 1 1 53 53 ALA N N 15 128.35 0.03 . 1 . . . . 53 ALA N . 6968 1 402 . 1 1 54 54 THR H H 1 8.30 0.01 . 1 . . . . 54 THR H . 6968 1 403 . 1 1 54 54 THR HA H 1 4.33 0.01 . 1 . . . . 54 THR HA . 6968 1 404 . 1 1 54 54 THR HB H 1 4.19 0.01 . 1 . . . . 54 THR HB . 6968 1 405 . 1 1 54 54 THR C C 13 174.58 0.05 . 1 . . . . 54 THR C . 6968 1 406 . 1 1 54 54 THR CA C 13 61.90 0.05 . 1 . . . . 54 THR CA . 6968 1 407 . 1 1 54 54 THR CB C 13 69.98 0.05 . 1 . . . . 54 THR CB . 6968 1 408 . 1 1 54 54 THR N N 15 115.03 0.03 . 1 . . . . 54 THR N . 6968 1 409 . 1 1 55 55 VAL H H 1 8.32 0.01 . 1 . . . . 55 VAL H . 6968 1 410 . 1 1 55 55 VAL HA H 1 4.11 0.01 . 1 . . . . 55 VAL HA . 6968 1 411 . 1 1 55 55 VAL HB H 1 2.07 0.01 . 1 . . . . 55 VAL HB . 6968 1 412 . 1 1 55 55 VAL C C 13 175.91 0.05 . 1 . . . . 55 VAL C . 6968 1 413 . 1 1 55 55 VAL CA C 13 62.34 0.05 . 1 . . . . 55 VAL CA . 6968 1 414 . 1 1 55 55 VAL CB C 13 32.88 0.05 . 1 . . . . 55 VAL CB . 6968 1 415 . 1 1 55 55 VAL N N 15 123.23 0.03 . 1 . . . . 55 VAL N . 6968 1 416 . 1 1 56 56 ALA H H 1 8.49 0.01 . 1 . . . . 56 ALA H . 6968 1 417 . 1 1 56 56 ALA HA H 1 4.30 0.01 . 1 . . . . 56 ALA HA . 6968 1 418 . 1 1 56 56 ALA HB1 H 1 1.39 0.01 . 1 . . . . 56 ALA HB . 6968 1 419 . 1 1 56 56 ALA HB2 H 1 1.39 0.01 . 1 . . . . 56 ALA HB . 6968 1 420 . 1 1 56 56 ALA HB3 H 1 1.39 0.01 . 1 . . . . 56 ALA HB . 6968 1 421 . 1 1 56 56 ALA C C 13 177.83 0.05 . 1 . . . . 56 ALA C . 6968 1 422 . 1 1 56 56 ALA CA C 13 52.57 0.05 . 1 . . . . 56 ALA CA . 6968 1 423 . 1 1 56 56 ALA CB C 13 19.29 0.05 . 1 . . . . 56 ALA CB . 6968 1 424 . 1 1 56 56 ALA N N 15 128.23 0.03 . 1 . . . . 56 ALA N . 6968 1 425 . 1 1 57 57 GLU H H 1 8.44 0.01 . 1 . . . . 57 GLU H . 6968 1 426 . 1 1 57 57 GLU HA H 1 4.24 0.01 . 1 . . . . 57 GLU HA . 6968 1 427 . 1 1 57 57 GLU HB2 H 1 2.03 0.01 . 2 . . . . 57 GLU HB2 . 6968 1 428 . 1 1 57 57 GLU HB3 H 1 1.98 0.01 . 2 . . . . 57 GLU HB3 . 6968 1 429 . 1 1 57 57 GLU C C 13 176.75 0.05 . 1 . . . . 57 GLU C . 6968 1 430 . 1 1 57 57 GLU CA C 13 56.69 0.05 . 1 . . . . 57 GLU CA . 6968 1 431 . 1 1 57 57 GLU CB C 13 30.44 0.05 . 1 . . . . 57 GLU CB . 6968 1 432 . 1 1 57 57 GLU N N 15 121.02 0.03 . 1 . . . . 57 GLU N . 6968 1 433 . 1 1 58 58 LYS H H 1 8.51 0.01 . 1 . . . . 58 LYS H . 6968 1 434 . 1 1 58 58 LYS HA H 1 4.37 0.01 . 1 . . . . 58 LYS HA . 6968 1 435 . 1 1 58 58 LYS HB2 H 1 1.87 0.01 . 2 . . . . 58 LYS HB2 . 6968 1 436 . 1 1 58 58 LYS HB3 H 1 1.80 0.01 . 2 . . . . 58 LYS HB3 . 6968 1 437 . 1 1 58 58 LYS C C 13 177.01 0.05 . 1 . . . . 58 LYS C . 6968 1 438 . 1 1 58 58 LYS CA C 13 56.50 0.05 . 1 . . . . 58 LYS CA . 6968 1 439 . 1 1 58 58 LYS CB C 13 33.01 0.05 . 1 . . . . 58 LYS CB . 6968 1 440 . 1 1 58 58 LYS N N 15 122.95 0.03 . 1 . . . . 58 LYS N . 6968 1 441 . 1 1 59 59 THR H H 1 8.29 0.01 . 1 . . . . 59 THR H . 6968 1 442 . 1 1 59 59 THR HA H 1 4.30 0.01 . 1 . . . . 59 THR HA . 6968 1 443 . 1 1 59 59 THR HB H 1 4.24 0.01 . 1 . . . . 59 THR HB . 6968 1 444 . 1 1 59 59 THR C C 13 174.67 0.05 . 1 . . . . 59 THR C . 6968 1 445 . 1 1 59 59 THR CA C 13 62.16 0.05 . 1 . . . . 59 THR CA . 6968 1 446 . 1 1 59 59 THR CB C 13 69.81 0.05 . 1 . . . . 59 THR CB . 6968 1 447 . 1 1 59 59 THR N N 15 116.13 0.03 . 1 . . . . 59 THR N . 6968 1 448 . 1 1 60 60 LYS H H 1 8.46 0.01 . 1 . . . . 60 LYS H . 6968 1 449 . 1 1 60 60 LYS HA H 1 4.31 0.01 . 1 . . . . 60 LYS HA . 6968 1 450 . 1 1 60 60 LYS HB2 H 1 1.86 0.01 . 2 . . . . 60 LYS HB2 . 6968 1 451 . 1 1 60 60 LYS HB3 H 1 1.77 0.01 . 2 . . . . 60 LYS HB3 . 6968 1 452 . 1 1 60 60 LYS C C 13 176.74 0.05 . 1 . . . . 60 LYS C . 6968 1 453 . 1 1 60 60 LYS CA C 13 56.60 0.05 . 1 . . . . 60 LYS CA . 6968 1 454 . 1 1 60 60 LYS CB C 13 32.99 0.05 . 1 . . . . 60 LYS CB . 6968 1 455 . 1 1 60 60 LYS N N 15 123.84 0.03 . 1 . . . . 60 LYS N . 6968 1 456 . 1 1 61 61 GLU H H 1 8.50 0.01 . 1 . . . . 61 GLU H . 6968 1 457 . 1 1 61 61 GLU HA H 1 4.26 0.01 . 1 . . . . 61 GLU HA . 6968 1 458 . 1 1 61 61 GLU HB2 H 1 2.05 0.01 . 2 . . . . 61 GLU HB2 . 6968 1 459 . 1 1 61 61 GLU HB3 H 1 1.96 0.01 . 2 . . . . 61 GLU HB3 . 6968 1 460 . 1 1 61 61 GLU C C 13 176.47 0.05 . 1 . . . . 61 GLU C . 6968 1 461 . 1 1 61 61 GLU CA C 13 56.75 0.05 . 1 . . . . 61 GLU CA . 6968 1 462 . 1 1 61 61 GLU CB C 13 30.21 0.05 . 1 . . . . 61 GLU CB . 6968 1 463 . 1 1 61 61 GLU N N 15 122.25 0.03 . 1 . . . . 61 GLU N . 6968 1 464 . 1 1 62 62 GLN H H 1 8.49 0.01 . 1 . . . . 62 GLN H . 6968 1 465 . 1 1 62 62 GLN HA H 1 4.36 0.01 . 1 . . . . 62 GLN HA . 6968 1 466 . 1 1 62 62 GLN HB2 H 1 2.10 0.01 . 2 . . . . 62 GLN HB2 . 6968 1 467 . 1 1 62 62 GLN HB3 H 1 2.02 0.01 . 2 . . . . 62 GLN HB3 . 6968 1 468 . 1 1 62 62 GLN C C 13 176.01 0.05 . 1 . . . . 62 GLN C . 6968 1 469 . 1 1 62 62 GLN CA C 13 55.83 0.05 . 1 . . . . 62 GLN CA . 6968 1 470 . 1 1 62 62 GLN CB C 13 29.51 0.05 . 1 . . . . 62 GLN CB . 6968 1 471 . 1 1 62 62 GLN N N 15 121.92 0.03 . 1 . . . . 62 GLN N . 6968 1 472 . 1 1 63 63 VAL H H 1 8.36 0.01 . 1 . . . . 63 VAL H . 6968 1 473 . 1 1 63 63 VAL HA H 1 4.20 0.01 . 1 . . . . 63 VAL HA . 6968 1 474 . 1 1 63 63 VAL HB H 1 2.10 0.01 . 1 . . . . 63 VAL HB . 6968 1 475 . 1 1 63 63 VAL C C 13 176.39 0.05 . 1 . . . . 63 VAL C . 6968 1 476 . 1 1 63 63 VAL CA C 13 62.44 0.05 . 1 . . . . 63 VAL CA . 6968 1 477 . 1 1 63 63 VAL CB C 13 32.74 0.05 . 1 . . . . 63 VAL CB . 6968 1 478 . 1 1 63 63 VAL N N 15 122.10 0.03 . 1 . . . . 63 VAL N . 6968 1 479 . 1 1 64 64 THR H H 1 8.38 0.01 . 1 . . . . 64 THR H . 6968 1 480 . 1 1 64 64 THR HA H 1 4.38 0.01 . 1 . . . . 64 THR HA . 6968 1 481 . 1 1 64 64 THR HB H 1 4.19 0.01 . 1 . . . . 64 THR HB . 6968 1 482 . 1 1 64 64 THR C C 13 174.08 0.05 . 1 . . . . 64 THR C . 6968 1 483 . 1 1 64 64 THR CA C 13 61.82 0.05 . 1 . . . . 64 THR CA . 6968 1 484 . 1 1 64 64 THR CB C 13 69.93 0.05 . 1 . . . . 64 THR CB . 6968 1 485 . 1 1 64 64 THR N N 15 118.24 0.03 . 1 . . . . 64 THR N . 6968 1 486 . 1 1 65 65 ASN H H 1 8.60 0.01 . 1 . . . . 65 ASN H . 6968 1 487 . 1 1 65 65 ASN HA H 1 4.52 0.01 . 1 . . . . 65 ASN HA . 6968 1 488 . 1 1 65 65 ASN HB2 H 1 2.83 0.01 . 2 . . . . 65 ASN HB2 . 6968 1 489 . 1 1 65 65 ASN HB3 H 1 2.77 0.01 . 2 . . . . 65 ASN HB3 . 6968 1 490 . 1 1 65 65 ASN C C 13 175.28 0.05 . 1 . . . . 65 ASN C . 6968 1 491 . 1 1 65 65 ASN CA C 13 53.15 0.05 . 1 . . . . 65 ASN CA . 6968 1 492 . 1 1 65 65 ASN CB C 13 38.91 0.05 . 1 . . . . 65 ASN CB . 6968 1 493 . 1 1 65 65 ASN N N 15 121.95 0.03 . 1 . . . . 65 ASN N . 6968 1 494 . 1 1 66 66 VAL H H 1 8.31 0.01 . 1 . . . . 66 VAL H . 6968 1 495 . 1 1 66 66 VAL HA H 1 4.13 0.01 . 1 . . . . 66 VAL HA . 6968 1 496 . 1 1 66 66 VAL HB H 1 2.13 0.01 . 1 . . . . 66 VAL HB . 6968 1 497 . 1 1 66 66 VAL C C 13 176.91 0.05 . 1 . . . . 66 VAL C . 6968 1 498 . 1 1 66 66 VAL CA C 13 62.70 0.05 . 1 . . . . 66 VAL CA . 6968 1 499 . 1 1 66 66 VAL CB C 13 32.51 0.05 . 1 . . . . 66 VAL CB . 6968 1 500 . 1 1 66 66 VAL N N 15 120.86 0.03 . 1 . . . . 66 VAL N . 6968 1 501 . 1 1 67 67 GLY H H 1 8.62 0.01 . 1 . . . . 67 GLY H . 6968 1 502 . 1 1 67 67 GLY HA2 H 1 3.98 0.01 . 1 . . . . 67 GLY HA2 . 6968 1 503 . 1 1 67 67 GLY HA3 H 1 3.98 0.01 . 1 . . . . 67 GLY HA3 . 6968 1 504 . 1 1 67 67 GLY C C 13 174.70 0.05 . 1 . . . . 67 GLY C . 6968 1 505 . 1 1 67 67 GLY CA C 13 45.36 0.05 . 1 . . . . 67 GLY CA . 6968 1 506 . 1 1 67 67 GLY N N 15 112.76 0.03 . 1 . . . . 67 GLY N . 6968 1 507 . 1 1 68 68 GLY H H 1 8.29 0.01 . 1 . . . . 68 GLY H . 6968 1 508 . 1 1 68 68 GLY HA2 H 1 3.97 0.01 . 1 . . . . 68 GLY HA2 . 6968 1 509 . 1 1 68 68 GLY HA3 H 1 3.97 0.01 . 1 . . . . 68 GLY HA3 . 6968 1 510 . 1 1 68 68 GLY C C 13 173.76 0.05 . 1 . . . . 68 GLY C . 6968 1 511 . 1 1 68 68 GLY CA C 13 45.03 0.05 . 1 . . . . 68 GLY CA . 6968 1 512 . 1 1 68 68 GLY N N 15 108.94 0.03 . 1 . . . . 68 GLY N . 6968 1 513 . 1 1 69 69 ALA H H 1 8.23 0.01 . 1 . . . . 69 ALA H . 6968 1 514 . 1 1 69 69 ALA HA H 1 4.36 0.01 . 1 . . . . 69 ALA HA . 6968 1 515 . 1 1 69 69 ALA HB1 H 1 1.39 0.01 . 1 . . . . 69 ALA HB . 6968 1 516 . 1 1 69 69 ALA HB2 H 1 1.39 0.01 . 1 . . . . 69 ALA HB . 6968 1 517 . 1 1 69 69 ALA HB3 H 1 1.39 0.01 . 1 . . . . 69 ALA HB . 6968 1 518 . 1 1 69 69 ALA C C 13 177.70 0.05 . 1 . . . . 69 ALA C . 6968 1 519 . 1 1 69 69 ALA CA C 13 52.32 0.05 . 1 . . . . 69 ALA CA . 6968 1 520 . 1 1 69 69 ALA CB C 13 19.31 0.05 . 1 . . . . 69 ALA CB . 6968 1 521 . 1 1 69 69 ALA N N 15 123.86 0.03 . 1 . . . . 69 ALA N . 6968 1 522 . 1 1 70 70 VAL H H 1 8.29 0.01 . 1 . . . . 70 VAL H . 6968 1 523 . 1 1 70 70 VAL HA H 1 4.11 0.01 . 1 . . . . 70 VAL HA . 6968 1 524 . 1 1 70 70 VAL HB H 1 2.03 0.01 . 1 . . . . 70 VAL HB . 6968 1 525 . 1 1 70 70 VAL C C 13 176.38 0.05 . 1 . . . . 70 VAL C . 6968 1 526 . 1 1 70 70 VAL CA C 13 62.44 0.05 . 1 . . . . 70 VAL CA . 6968 1 527 . 1 1 70 70 VAL CB C 13 32.77 0.05 . 1 . . . . 70 VAL CB . 6968 1 528 . 1 1 70 70 VAL N N 15 120.64 0.03 . 1 . . . . 70 VAL N . 6968 1 529 . 1 1 71 71 VAL H H 1 8.47 0.01 . 1 . . . . 71 VAL H . 6968 1 530 . 1 1 71 71 VAL HA H 1 4.23 0.01 . 1 . . . . 71 VAL HA . 6968 1 531 . 1 1 71 71 VAL HB H 1 2.09 0.01 . 1 . . . . 71 VAL HB . 6968 1 532 . 1 1 71 71 VAL C C 13 176.33 0.05 . 1 . . . . 71 VAL C . 6968 1 533 . 1 1 71 71 VAL CA C 13 62.17 0.05 . 1 . . . . 71 VAL CA . 6968 1 534 . 1 1 71 71 VAL CB C 13 32.79 0.05 . 1 . . . . 71 VAL CB . 6968 1 535 . 1 1 71 71 VAL N N 15 125.57 0.03 . 1 . . . . 71 VAL N . 6968 1 536 . 1 1 72 72 THR H H 1 8.38 0.01 . 1 . . . . 72 THR H . 6968 1 537 . 1 1 72 72 THR HA H 1 4.38 0.01 . 1 . . . . 72 THR HA . 6968 1 538 . 1 1 72 72 THR HB H 1 4.22 0.01 . 1 . . . . 72 THR HB . 6968 1 539 . 1 1 72 72 THR C C 13 174.95 0.05 . 1 . . . . 72 THR C . 6968 1 540 . 1 1 72 72 THR CA C 13 61.90 0.05 . 1 . . . . 72 THR CA . 6968 1 541 . 1 1 72 72 THR CB C 13 69.92 0.05 . 1 . . . . 72 THR CB . 6968 1 542 . 1 1 72 72 THR N N 15 118.80 0.03 . 1 . . . . 72 THR N . 6968 1 543 . 1 1 73 73 GLY H H 1 8.51 0.01 . 1 . . . . 73 GLY H . 6968 1 544 . 1 1 73 73 GLY HA2 H 1 3.99 0.01 . 1 . . . . 73 GLY HA2 . 6968 1 545 . 1 1 73 73 GLY HA3 H 1 3.99 0.01 . 1 . . . . 73 GLY HA3 . 6968 1 546 . 1 1 73 73 GLY C C 13 174.05 0.05 . 1 . . . . 73 GLY C . 6968 1 547 . 1 1 73 73 GLY CA C 13 45.29 0.05 . 1 . . . . 73 GLY CA . 6968 1 548 . 1 1 73 73 GLY N N 15 111.46 0.03 . 1 . . . . 73 GLY N . 6968 1 549 . 1 1 74 74 VAL H H 1 8.15 0.01 . 1 . . . . 74 VAL H . 6968 1 550 . 1 1 74 74 VAL HA H 1 4.20 0.01 . 1 . . . . 74 VAL HA . 6968 1 551 . 1 1 74 74 VAL HB H 1 2.10 0.01 . 1 . . . . 74 VAL HB . 6968 1 552 . 1 1 74 74 VAL C C 13 176.60 0.05 . 1 . . . . 74 VAL C . 6968 1 553 . 1 1 74 74 VAL CA C 13 62.39 0.05 . 1 . . . . 74 VAL CA . 6968 1 554 . 1 1 74 74 VAL CB C 13 32.86 0.05 . 1 . . . . 74 VAL CB . 6968 1 555 . 1 1 74 74 VAL N N 15 119.63 0.03 . 1 . . . . 74 VAL N . 6968 1 556 . 1 1 75 75 THR H H 1 8.37 0.01 . 1 . . . . 75 THR H . 6968 1 557 . 1 1 75 75 THR HA H 1 4.34 0.01 . 1 . . . . 75 THR HA . 6968 1 558 . 1 1 75 75 THR HB H 1 4.18 0.01 . 1 . . . . 75 THR HB . 6968 1 559 . 1 1 75 75 THR C C 13 174.11 0.05 . 1 . . . . 75 THR C . 6968 1 560 . 1 1 75 75 THR CA C 13 61.99 0.05 . 1 . . . . 75 THR CA . 6968 1 561 . 1 1 75 75 THR CB C 13 69.84 0.05 . 1 . . . . 75 THR CB . 6968 1 562 . 1 1 75 75 THR N N 15 119.12 0.03 . 1 . . . . 75 THR N . 6968 1 563 . 1 1 76 76 ALA H H 1 8.45 0.01 . 1 . . . . 76 ALA H . 6968 1 564 . 1 1 76 76 ALA HA H 1 4.36 0.01 . 1 . . . . 76 ALA HA . 6968 1 565 . 1 1 76 76 ALA HB1 H 1 1.38 0.01 . 1 . . . . 76 ALA HB . 6968 1 566 . 1 1 76 76 ALA HB2 H 1 1.38 0.01 . 1 . . . . 76 ALA HB . 6968 1 567 . 1 1 76 76 ALA HB3 H 1 1.38 0.01 . 1 . . . . 76 ALA HB . 6968 1 568 . 1 1 76 76 ALA C C 13 177.62 0.05 . 1 . . . . 76 ALA C . 6968 1 569 . 1 1 76 76 ALA CA C 13 52.47 0.05 . 1 . . . . 76 ALA CA . 6968 1 570 . 1 1 76 76 ALA CB C 13 19.36 0.05 . 1 . . . . 76 ALA CB . 6968 1 571 . 1 1 76 76 ALA N N 15 127.54 0.03 . 1 . . . . 76 ALA N . 6968 1 572 . 1 1 77 77 VAL H H 1 8.21 0.01 . 1 . . . . 77 VAL H . 6968 1 573 . 1 1 77 77 VAL HA H 1 4.06 0.01 . 1 . . . . 77 VAL HA . 6968 1 574 . 1 1 77 77 VAL HB H 1 2.05 0.01 . 1 . . . . 77 VAL HB . 6968 1 575 . 1 1 77 77 VAL C C 13 176.06 0.05 . 1 . . . . 77 VAL C . 6968 1 576 . 1 1 77 77 VAL CA C 13 62.26 0.05 . 1 . . . . 77 VAL CA . 6968 1 577 . 1 1 77 77 VAL CB C 13 32.83 0.05 . 1 . . . . 77 VAL CB . 6968 1 578 . 1 1 77 77 VAL N N 15 120.23 0.03 . 1 . . . . 77 VAL N . 6968 1 579 . 1 1 78 78 ALA H H 1 8.48 0.01 . 1 . . . . 78 ALA H . 6968 1 580 . 1 1 78 78 ALA HA H 1 4.30 0.01 . 1 . . . . 78 ALA HA . 6968 1 581 . 1 1 78 78 ALA HB1 H 1 1.40 0.01 . 1 . . . . 78 ALA HB . 6968 1 582 . 1 1 78 78 ALA HB2 H 1 1.40 0.01 . 1 . . . . 78 ALA HB . 6968 1 583 . 1 1 78 78 ALA HB3 H 1 1.40 0.01 . 1 . . . . 78 ALA HB . 6968 1 584 . 1 1 78 78 ALA C C 13 177.69 0.05 . 1 . . . . 78 ALA C . 6968 1 585 . 1 1 78 78 ALA CA C 13 52.52 0.05 . 1 . . . . 78 ALA CA . 6968 1 586 . 1 1 78 78 ALA CB C 13 19.23 0.05 . 1 . . . . 78 ALA CB . 6968 1 587 . 1 1 78 78 ALA N N 15 128.29 0.03 . 1 . . . . 78 ALA N . 6968 1 588 . 1 1 79 79 GLN H H 1 8.46 0.01 . 1 . . . . 79 GLN H . 6968 1 589 . 1 1 79 79 GLN HA H 1 4.30 0.01 . 1 . . . . 79 GLN HA . 6968 1 590 . 1 1 79 79 GLN HB2 H 1 2.11 0.01 . 2 . . . . 79 GLN HB2 . 6968 1 591 . 1 1 79 79 GLN HB3 H 1 2.00 0.01 . 2 . . . . 79 GLN HB3 . 6968 1 592 . 1 1 79 79 GLN C C 13 176.00 0.05 . 1 . . . . 79 GLN C . 6968 1 593 . 1 1 79 79 GLN CA C 13 55.71 0.05 . 1 . . . . 79 GLN CA . 6968 1 594 . 1 1 79 79 GLN CB C 13 29.60 0.05 . 1 . . . . 79 GLN CB . 6968 1 595 . 1 1 79 79 GLN N N 15 120.45 0.03 . 1 . . . . 79 GLN N . 6968 1 596 . 1 1 80 80 LYS H H 1 8.51 0.01 . 1 . . . . 80 LYS H . 6968 1 597 . 1 1 80 80 LYS HA H 1 4.38 0.01 . 1 . . . . 80 LYS HA . 6968 1 598 . 1 1 80 80 LYS HB2 H 1 1.85 0.01 . 2 . . . . 80 LYS HB2 . 6968 1 599 . 1 1 80 80 LYS HB3 H 1 1.79 0.01 . 2 . . . . 80 LYS HB3 . 6968 1 600 . 1 1 80 80 LYS C C 13 176.73 0.05 . 1 . . . . 80 LYS C . 6968 1 601 . 1 1 80 80 LYS CA C 13 56.47 0.05 . 1 . . . . 80 LYS CA . 6968 1 602 . 1 1 80 80 LYS CB C 13 33.16 0.05 . 1 . . . . 80 LYS CB . 6968 1 603 . 1 1 80 80 LYS N N 15 123.40 0.03 . 1 . . . . 80 LYS N . 6968 1 604 . 1 1 81 81 THR H H 1 8.36 0.01 . 1 . . . . 81 THR H . 6968 1 605 . 1 1 81 81 THR HA H 1 4.36 0.01 . 1 . . . . 81 THR HA . 6968 1 606 . 1 1 81 81 THR HB H 1 4.19 0.01 . 1 . . . . 81 THR HB . 6968 1 607 . 1 1 81 81 THR C C 13 174.48 0.05 . 1 . . . . 81 THR C . 6968 1 608 . 1 1 81 81 THR CA C 13 61.95 0.05 . 1 . . . . 81 THR CA . 6968 1 609 . 1 1 81 81 THR CB C 13 69.93 0.05 . 1 . . . . 81 THR CB . 6968 1 610 . 1 1 81 81 THR N N 15 117.05 0.03 . 1 . . . . 81 THR N . 6968 1 611 . 1 1 82 82 VAL H H 1 8.37 0.01 . 1 . . . . 82 VAL H . 6968 1 612 . 1 1 82 82 VAL HA H 1 4.14 0.01 . 1 . . . . 82 VAL HA . 6968 1 613 . 1 1 82 82 VAL HB H 1 2.08 0.01 . 1 . . . . 82 VAL HB . 6968 1 614 . 1 1 82 82 VAL C C 13 176.19 0.05 . 1 . . . . 82 VAL C . 6968 1 615 . 1 1 82 82 VAL CA C 13 62.32 0.05 . 1 . . . . 82 VAL CA . 6968 1 616 . 1 1 82 82 VAL CB C 13 32.89 0.05 . 1 . . . . 82 VAL CB . 6968 1 617 . 1 1 82 82 VAL N N 15 123.22 0.03 . 1 . . . . 82 VAL N . 6968 1 618 . 1 1 83 83 GLU H H 1 8.65 0.01 . 1 . . . . 83 GLU H . 6968 1 619 . 1 1 83 83 GLU HA H 1 4.29 0.01 . 1 . . . . 83 GLU HA . 6968 1 620 . 1 1 83 83 GLU HB2 H 1 2.04 0.01 . 2 . . . . 83 GLU HB2 . 6968 1 621 . 1 1 83 83 GLU HB3 H 1 1.97 0.01 . 2 . . . . 83 GLU HB3 . 6968 1 622 . 1 1 83 83 GLU C C 13 177.07 0.05 . 1 . . . . 83 GLU C . 6968 1 623 . 1 1 83 83 GLU CA C 13 56.83 0.05 . 1 . . . . 83 GLU CA . 6968 1 624 . 1 1 83 83 GLU CB C 13 30.28 0.05 . 1 . . . . 83 GLU CB . 6968 1 625 . 1 1 83 83 GLU N N 15 125.45 0.03 . 1 . . . . 83 GLU N . 6968 1 626 . 1 1 84 84 GLY H H 1 8.58 0.01 . 1 . . . . 84 GLY H . 6968 1 627 . 1 1 84 84 GLY HA2 H 1 3.98 0.01 . 1 . . . . 84 GLY HA2 . 6968 1 628 . 1 1 84 84 GLY HA3 H 1 3.98 0.01 . 1 . . . . 84 GLY HA3 . 6968 1 629 . 1 1 84 84 GLY C C 13 174.18 0.05 . 1 . . . . 84 GLY C . 6968 1 630 . 1 1 84 84 GLY CA C 13 45.28 0.05 . 1 . . . . 84 GLY CA . 6968 1 631 . 1 1 84 84 GLY N N 15 110.86 0.03 . 1 . . . . 84 GLY N . 6968 1 632 . 1 1 85 85 ALA H H 1 8.33 0.01 . 1 . . . . 85 ALA H . 6968 1 633 . 1 1 85 85 ALA HA H 1 4.33 0.01 . 1 . . . . 85 ALA HA . 6968 1 634 . 1 1 85 85 ALA HB1 H 1 1.43 0.01 . 1 . . . . 85 ALA HB . 6968 1 635 . 1 1 85 85 ALA HB2 H 1 1.43 0.01 . 1 . . . . 85 ALA HB . 6968 1 636 . 1 1 85 85 ALA HB3 H 1 1.43 0.01 . 1 . . . . 85 ALA HB . 6968 1 637 . 1 1 85 85 ALA C C 13 178.55 0.05 . 1 . . . . 85 ALA C . 6968 1 638 . 1 1 85 85 ALA CA C 13 52.91 0.05 . 1 . . . . 85 ALA CA . 6968 1 639 . 1 1 85 85 ALA CB C 13 19.23 0.05 . 1 . . . . 85 ALA CB . 6968 1 640 . 1 1 85 85 ALA N N 15 124.05 0.03 . 1 . . . . 85 ALA N . 6968 1 641 . 1 1 86 86 GLY H H 1 8.56 0.01 . 1 . . . . 86 GLY H . 6968 1 642 . 1 1 86 86 GLY HA2 H 1 3.99 0.01 . 1 . . . . 86 GLY HA2 . 6968 1 643 . 1 1 86 86 GLY HA3 H 1 3.99 0.01 . 1 . . . . 86 GLY HA3 . 6968 1 644 . 1 1 86 86 GLY C C 13 174.34 0.05 . 1 . . . . 86 GLY C . 6968 1 645 . 1 1 86 86 GLY CA C 13 45.31 0.05 . 1 . . . . 86 GLY CA . 6968 1 646 . 1 1 86 86 GLY N N 15 108.31 0.03 . 1 . . . . 86 GLY N . 6968 1 647 . 1 1 87 87 SER H H 1 8.21 0.01 . 1 . . . . 87 SER H . 6968 1 648 . 1 1 87 87 SER HA H 1 4.48 0.01 . 1 . . . . 87 SER HA . 6968 1 649 . 1 1 87 87 SER HB2 H 1 3.88 0.01 . 2 . . . . 87 SER HB2 . 6968 1 650 . 1 1 87 87 SER HB3 H 1 3.88 0.01 . 2 . . . . 87 SER HB3 . 6968 1 651 . 1 1 87 87 SER C C 13 174.76 0.05 . 1 . . . . 87 SER C . 6968 1 652 . 1 1 87 87 SER CA C 13 58.39 0.05 . 1 . . . . 87 SER CA . 6968 1 653 . 1 1 87 87 SER CB C 13 63.86 0.05 . 1 . . . . 87 SER CB . 6968 1 654 . 1 1 87 87 SER N N 15 115.81 0.03 . 1 . . . . 87 SER N . 6968 1 655 . 1 1 88 88 ILE H H 1 8.27 0.01 . 1 . . . . 88 ILE H . 6968 1 656 . 1 1 88 88 ILE HA H 1 4.18 0.01 . 1 . . . . 88 ILE HA . 6968 1 657 . 1 1 88 88 ILE HB H 1 1.88 0.01 . 1 . . . . 88 ILE HB . 6968 1 658 . 1 1 88 88 ILE C C 13 176.33 0.05 . 1 . . . . 88 ILE C . 6968 1 659 . 1 1 88 88 ILE CA C 13 61.36 0.05 . 1 . . . . 88 ILE CA . 6968 1 660 . 1 1 88 88 ILE CB C 13 38.68 0.05 . 1 . . . . 88 ILE CB . 6968 1 661 . 1 1 88 88 ILE N N 15 122.91 0.03 . 1 . . . . 88 ILE N . 6968 1 662 . 1 1 89 89 ALA H H 1 8.42 0.01 . 1 . . . . 89 ALA H . 6968 1 663 . 1 1 89 89 ALA HA H 1 4.27 0.01 . 1 . . . . 89 ALA HA . 6968 1 664 . 1 1 89 89 ALA HB1 H 1 1.38 0.01 . 1 . . . . 89 ALA HB . 6968 1 665 . 1 1 89 89 ALA HB2 H 1 1.38 0.01 . 1 . . . . 89 ALA HB . 6968 1 666 . 1 1 89 89 ALA HB3 H 1 1.38 0.01 . 1 . . . . 89 ALA HB . 6968 1 667 . 1 1 89 89 ALA C C 13 177.62 0.05 . 1 . . . . 89 ALA C . 6968 1 668 . 1 1 89 89 ALA CA C 13 52.63 0.05 . 1 . . . . 89 ALA CA . 6968 1 669 . 1 1 89 89 ALA CB C 13 19.10 0.05 . 1 . . . . 89 ALA CB . 6968 1 670 . 1 1 89 89 ALA N N 15 128.17 0.03 . 1 . . . . 89 ALA N . 6968 1 671 . 1 1 90 90 ALA H H 1 8.28 0.01 . 1 . . . . 90 ALA H . 6968 1 672 . 1 1 90 90 ALA HA H 1 4.27 0.01 . 1 . . . . 90 ALA HA . 6968 1 673 . 1 1 90 90 ALA HB1 H 1 1.41 0.01 . 1 . . . . 90 ALA HB . 6968 1 674 . 1 1 90 90 ALA HB2 H 1 1.41 0.01 . 1 . . . . 90 ALA HB . 6968 1 675 . 1 1 90 90 ALA HB3 H 1 1.41 0.01 . 1 . . . . 90 ALA HB . 6968 1 676 . 1 1 90 90 ALA C C 13 177.78 0.05 . 1 . . . . 90 ALA C . 6968 1 677 . 1 1 90 90 ALA CA C 13 52.50 0.05 . 1 . . . . 90 ALA CA . 6968 1 678 . 1 1 90 90 ALA CB C 13 19.22 0.05 . 1 . . . . 90 ALA CB . 6968 1 679 . 1 1 90 90 ALA N N 15 123.45 0.03 . 1 . . . . 90 ALA N . 6968 1 680 . 1 1 91 91 ALA H H 1 8.36 0.01 . 1 . . . . 91 ALA H . 6968 1 681 . 1 1 91 91 ALA HA H 1 4.37 0.01 . 1 . . . . 91 ALA HA . 6968 1 682 . 1 1 91 91 ALA HB1 H 1 1.44 0.01 . 1 . . . . 91 ALA HB . 6968 1 683 . 1 1 91 91 ALA HB2 H 1 1.44 0.01 . 1 . . . . 91 ALA HB . 6968 1 684 . 1 1 91 91 ALA HB3 H 1 1.44 0.01 . 1 . . . . 91 ALA HB . 6968 1 685 . 1 1 91 91 ALA C C 13 178.18 0.05 . 1 . . . . 91 ALA C . 6968 1 686 . 1 1 91 91 ALA CA C 13 52.67 0.05 . 1 . . . . 91 ALA CA . 6968 1 687 . 1 1 91 91 ALA CB C 13 19.18 0.05 . 1 . . . . 91 ALA CB . 6968 1 688 . 1 1 91 91 ALA N N 15 123.54 0.03 . 1 . . . . 91 ALA N . 6968 1 689 . 1 1 92 92 THR H H 1 8.16 0.01 . 1 . . . . 92 THR H . 6968 1 690 . 1 1 92 92 THR HA H 1 4.32 0.01 . 1 . . . . 92 THR HA . 6968 1 691 . 1 1 92 92 THR HB H 1 4.23 0.01 . 1 . . . . 92 THR HB . 6968 1 692 . 1 1 92 92 THR C C 13 175.20 0.05 . 1 . . . . 92 THR C . 6968 1 693 . 1 1 92 92 THR CA C 13 62.06 0.05 . 1 . . . . 92 THR CA . 6968 1 694 . 1 1 92 92 THR CB C 13 69.89 0.05 . 1 . . . . 92 THR CB . 6968 1 695 . 1 1 92 92 THR N N 15 112.76 0.03 . 1 . . . . 92 THR N . 6968 1 696 . 1 1 93 93 GLY H H 1 8.38 0.01 . 1 . . . . 93 GLY H . 6968 1 697 . 1 1 93 93 GLY HA2 H 1 3.93 0.01 . 1 . . . . 93 GLY HA2 . 6968 1 698 . 1 1 93 93 GLY HA3 H 1 3.93 0.01 . 1 . . . . 93 GLY HA3 . 6968 1 699 . 1 1 93 93 GLY C C 13 173.65 0.05 . 1 . . . . 93 GLY C . 6968 1 700 . 1 1 93 93 GLY CA C 13 45.19 0.05 . 1 . . . . 93 GLY CA . 6968 1 701 . 1 1 93 93 GLY N N 15 110.82 0.03 . 1 . . . . 93 GLY N . 6968 1 702 . 1 1 94 94 PHE H H 1 8.15 0.01 . 1 . . . . 94 PHE H . 6968 1 703 . 1 1 94 94 PHE HA H 1 4.62 0.01 . 1 . . . . 94 PHE HA . 6968 1 704 . 1 1 94 94 PHE HB2 H 1 3.06 0.01 . 1 . . . . 94 PHE HB2 . 6968 1 705 . 1 1 94 94 PHE HB3 H 1 3.06 0.01 . 1 . . . . 94 PHE HB3 . 6968 1 706 . 1 1 94 94 PHE C C 13 175.51 0.05 . 1 . . . . 94 PHE C . 6968 1 707 . 1 1 94 94 PHE CA C 13 57.82 0.05 . 1 . . . . 94 PHE CA . 6968 1 708 . 1 1 94 94 PHE CB C 13 39.73 0.05 . 1 . . . . 94 PHE CB . 6968 1 709 . 1 1 94 94 PHE N N 15 120.44 0.03 . 1 . . . . 94 PHE N . 6968 1 710 . 1 1 95 95 VAL H H 1 8.12 0.01 . 1 . . . . 95 VAL H . 6968 1 711 . 1 1 95 95 VAL HA H 1 4.02 0.01 . 1 . . . . 95 VAL HA . 6968 1 712 . 1 1 95 95 VAL HB H 1 1.95 0.01 . 1 . . . . 95 VAL HB . 6968 1 713 . 1 1 95 95 VAL C C 13 175.44 0.05 . 1 . . . . 95 VAL C . 6968 1 714 . 1 1 95 95 VAL CA C 13 62.04 0.05 . 1 . . . . 95 VAL CA . 6968 1 715 . 1 1 95 95 VAL CB C 13 33.14 0.05 . 1 . . . . 95 VAL CB . 6968 1 716 . 1 1 95 95 VAL N N 15 123.94 0.03 . 1 . . . . 95 VAL N . 6968 1 717 . 1 1 96 96 LYS H H 1 8.47 0.01 . 1 . . . . 96 LYS H . 6968 1 718 . 1 1 96 96 LYS HA H 1 4.23 0.01 . 1 . . . . 96 LYS HA . 6968 1 719 . 1 1 96 96 LYS HB2 H 1 1.84 0.01 . 2 . . . . 96 LYS HB2 . 6968 1 720 . 1 1 96 96 LYS HB3 H 1 1.76 0.01 . 2 . . . . 96 LYS HB3 . 6968 1 721 . 1 1 96 96 LYS C C 13 176.54 0.05 . 1 . . . . 96 LYS C . 6968 1 722 . 1 1 96 96 LYS CA C 13 56.42 0.05 . 1 . . . . 96 LYS CA . 6968 1 723 . 1 1 96 96 LYS CB C 13 33.08 0.05 . 1 . . . . 96 LYS CB . 6968 1 724 . 1 1 96 96 LYS N N 15 126.56 0.03 . 1 . . . . 96 LYS N . 6968 1 725 . 1 1 97 97 LYS H H 1 8.54 0.01 . 1 . . . . 97 LYS H . 6968 1 726 . 1 1 97 97 LYS HA H 1 4.30 0.01 . 1 . . . . 97 LYS HA . 6968 1 727 . 1 1 97 97 LYS HB2 H 1 1.81 0.01 . 2 . . . . 97 LYS HB2 . 6968 1 728 . 1 1 97 97 LYS HB3 H 1 1.81 0.01 . 2 . . . . 97 LYS HB3 . 6968 1 729 . 1 1 97 97 LYS C C 13 176.42 0.05 . 1 . . . . 97 LYS C . 6968 1 730 . 1 1 97 97 LYS CA C 13 56.57 0.05 . 1 . . . . 97 LYS CA . 6968 1 731 . 1 1 97 97 LYS CB C 13 33.18 0.05 . 1 . . . . 97 LYS CB . 6968 1 732 . 1 1 97 97 LYS N N 15 123.87 0.03 . 1 . . . . 97 LYS N . 6968 1 733 . 1 1 98 98 ASP H H 1 8.47 0.01 . 1 . . . . 98 ASP H . 6968 1 734 . 1 1 98 98 ASP HA H 1 4.58 0.01 . 1 . . . . 98 ASP HA . 6968 1 735 . 1 1 98 98 ASP HB2 H 1 2.68 0.01 . 2 . . . . 98 ASP HB2 . 6968 1 736 . 1 1 98 98 ASP HB3 H 1 2.68 0.01 . 2 . . . . 98 ASP HB3 . 6968 1 737 . 1 1 98 98 ASP C C 13 176.25 0.05 . 1 . . . . 98 ASP C . 6968 1 738 . 1 1 98 98 ASP CA C 13 54.49 0.05 . 1 . . . . 98 ASP CA . 6968 1 739 . 1 1 98 98 ASP CB C 13 41.05 0.05 . 1 . . . . 98 ASP CB . 6968 1 740 . 1 1 98 98 ASP N N 15 121.32 0.03 . 1 . . . . 98 ASP N . 6968 1 741 . 1 1 99 99 GLN H H 1 8.41 0.01 . 1 . . . . 99 GLN H . 6968 1 742 . 1 1 99 99 GLN HA H 1 4.33 0.01 . 1 . . . . 99 GLN HA . 6968 1 743 . 1 1 99 99 GLN HB2 H 1 2.16 0.01 . 2 . . . . 99 GLN HB2 . 6968 1 744 . 1 1 99 99 GLN HB3 H 1 2.00 0.01 . 2 . . . . 99 GLN HB3 . 6968 1 745 . 1 1 99 99 GLN C C 13 176.08 0.05 . 1 . . . . 99 GLN C . 6968 1 746 . 1 1 99 99 GLN CA C 13 55.85 0.05 . 1 . . . . 99 GLN CA . 6968 1 747 . 1 1 99 99 GLN CB C 13 29.45 0.05 . 1 . . . . 99 GLN CB . 6968 1 748 . 1 1 99 99 GLN N N 15 120.33 0.03 . 1 . . . . 99 GLN N . 6968 1 749 . 1 1 100 100 LEU H H 1 8.36 0.01 . 1 . . . . 100 LEU H . 6968 1 750 . 1 1 100 100 LEU HA H 1 4.35 0.01 . 1 . . . . 100 LEU HA . 6968 1 751 . 1 1 100 100 LEU HB2 H 1 1.72 0.01 . 2 . . . . 100 LEU HB2 . 6968 1 752 . 1 1 100 100 LEU HB3 H 1 1.61 0.01 . 2 . . . . 100 LEU HB3 . 6968 1 753 . 1 1 100 100 LEU C C 13 178.05 0.05 . 1 . . . . 100 LEU C . 6968 1 754 . 1 1 100 100 LEU CA C 13 55.44 0.05 . 1 . . . . 100 LEU CA . 6968 1 755 . 1 1 100 100 LEU CB C 13 42.24 0.05 . 1 . . . . 100 LEU CB . 6968 1 756 . 1 1 100 100 LEU N N 15 122.98 0.03 . 1 . . . . 100 LEU N . 6968 1 757 . 1 1 101 101 GLY H H 1 8.55 0.01 . 1 . . . . 101 GLY H . 6968 1 758 . 1 1 101 101 GLY HA2 H 1 3.96 0.01 . 1 . . . . 101 GLY HA2 . 6968 1 759 . 1 1 101 101 GLY HA3 H 1 3.96 0.01 . 1 . . . . 101 GLY HA3 . 6968 1 760 . 1 1 101 101 GLY C C 13 174.14 0.05 . 1 . . . . 101 GLY C . 6968 1 761 . 1 1 101 101 GLY CA C 13 45.32 0.05 . 1 . . . . 101 GLY CA . 6968 1 762 . 1 1 101 101 GLY N N 15 109.93 0.03 . 1 . . . . 101 GLY N . 6968 1 763 . 1 1 102 102 LYS H H 1 8.27 0.01 . 1 . . . . 102 LYS H . 6968 1 764 . 1 1 102 102 LYS HA H 1 4.34 0.01 . 1 . . . . 102 LYS HA . 6968 1 765 . 1 1 102 102 LYS HB2 H 1 1.82 0.01 . 2 . . . . 102 LYS HB2 . 6968 1 766 . 1 1 102 102 LYS HB3 H 1 1.78 0.01 . 2 . . . . 102 LYS HB3 . 6968 1 767 . 1 1 102 102 LYS C C 13 176.52 0.05 . 1 . . . . 102 LYS C . 6968 1 768 . 1 1 102 102 LYS CA C 13 56.27 0.05 . 1 . . . . 102 LYS CA . 6968 1 769 . 1 1 102 102 LYS CB C 13 33.16 0.05 . 1 . . . . 102 LYS CB . 6968 1 770 . 1 1 102 102 LYS N N 15 120.87 0.03 . 1 . . . . 102 LYS N . 6968 1 771 . 1 1 103 103 ASN H H 1 8.69 0.01 . 1 . . . . 103 ASN H . 6968 1 772 . 1 1 103 103 ASN HA H 1 4.71 0.01 . 1 . . . . 103 ASN HA . 6968 1 773 . 1 1 103 103 ASN HB2 H 1 2.85 0.01 . 2 . . . . 103 ASN HB2 . 6968 1 774 . 1 1 103 103 ASN HB3 H 1 2.78 0.01 . 2 . . . . 103 ASN HB3 . 6968 1 775 . 1 1 103 103 ASN C C 13 175.33 0.05 . 1 . . . . 103 ASN C . 6968 1 776 . 1 1 103 103 ASN CA C 13 53.35 0.05 . 1 . . . . 103 ASN CA . 6968 1 777 . 1 1 103 103 ASN CB C 13 38.76 0.05 . 1 . . . . 103 ASN CB . 6968 1 778 . 1 1 103 103 ASN N N 15 120.08 0.03 . 1 . . . . 103 ASN N . 6968 1 779 . 1 1 104 104 GLU H H 1 8.54 0.01 . 1 . . . . 104 GLU H . 6968 1 780 . 1 1 104 104 GLU HA H 1 4.31 0.01 . 1 . . . . 104 GLU HA . 6968 1 781 . 1 1 104 104 GLU HB2 H 1 2.10 0.01 . 2 . . . . 104 GLU HB2 . 6968 1 782 . 1 1 104 104 GLU HB3 H 1 1.94 0.01 . 2 . . . . 104 GLU HB3 . 6968 1 783 . 1 1 104 104 GLU C C 13 176.57 0.05 . 1 . . . . 104 GLU C . 6968 1 784 . 1 1 104 104 GLU CA C 13 56.59 0.05 . 1 . . . . 104 GLU CA . 6968 1 785 . 1 1 104 104 GLU CB C 13 30.28 0.05 . 1 . . . . 104 GLU CB . 6968 1 786 . 1 1 104 104 GLU N N 15 121.53 0.03 . 1 . . . . 104 GLU N . 6968 1 787 . 1 1 105 105 GLU H H 1 8.53 0.01 . 1 . . . . 105 GLU H . 6968 1 788 . 1 1 105 105 GLU HA H 1 4.27 0.01 . 1 . . . . 105 GLU HA . 6968 1 789 . 1 1 105 105 GLU HB2 H 1 2.07 0.01 . 2 . . . . 105 GLU HB2 . 6968 1 790 . 1 1 105 105 GLU HB3 H 1 1.95 0.01 . 2 . . . . 105 GLU HB3 . 6968 1 791 . 1 1 105 105 GLU C C 13 177.07 0.05 . 1 . . . . 105 GLU C . 6968 1 792 . 1 1 105 105 GLU CA C 13 56.91 0.05 . 1 . . . . 105 GLU CA . 6968 1 793 . 1 1 105 105 GLU CB C 13 30.27 0.05 . 1 . . . . 105 GLU CB . 6968 1 794 . 1 1 105 105 GLU N N 15 122.07 0.03 . 1 . . . . 105 GLU N . 6968 1 795 . 1 1 106 106 GLY H H 1 8.50 0.01 . 1 . . . . 106 GLY H . 6968 1 796 . 1 1 106 106 GLY HA2 H 1 3.95 0.01 . 1 . . . . 106 GLY HA2 . 6968 1 797 . 1 1 106 106 GLY HA3 H 1 3.95 0.01 . 1 . . . . 106 GLY HA3 . 6968 1 798 . 1 1 106 106 GLY C C 13 173.46 0.05 . 1 . . . . 106 GLY C . 6968 1 799 . 1 1 106 106 GLY CA C 13 45.01 0.05 . 1 . . . . 106 GLY CA . 6968 1 800 . 1 1 106 106 GLY N N 15 110.34 0.03 . 1 . . . . 106 GLY N . 6968 1 801 . 1 1 107 107 ALA H H 1 8.20 0.01 . 1 . . . . 107 ALA H . 6968 1 802 . 1 1 107 107 ALA HA H 1 4.61 0.01 . 1 . . . . 107 ALA HA . 6968 1 803 . 1 1 107 107 ALA HB1 H 1 1.38 0.01 . 1 . . . . 107 ALA HB . 6968 1 804 . 1 1 107 107 ALA HB2 H 1 1.38 0.01 . 1 . . . . 107 ALA HB . 6968 1 805 . 1 1 107 107 ALA HB3 H 1 1.38 0.01 . 1 . . . . 107 ALA HB . 6968 1 806 . 1 1 107 107 ALA C C 13 175.60 0.05 . 1 . . . . 107 ALA C . 6968 1 807 . 1 1 107 107 ALA CA C 13 50.52 0.05 . 1 . . . . 107 ALA CA . 6968 1 808 . 1 1 107 107 ALA CB C 13 18.20 0.05 . 1 . . . . 107 ALA CB . 6968 1 809 . 1 1 107 107 ALA N N 15 125.05 0.03 . 1 . . . . 107 ALA N . 6968 1 810 . 1 1 108 108 PRO HA H 1 4.44 0.01 . 1 . . . . 108 PRO HA . 6968 1 811 . 1 1 108 108 PRO HB2 H 1 2.33 0.01 . 2 . . . . 108 PRO HB2 . 6968 1 812 . 1 1 108 108 PRO HB3 H 1 1.92 0.01 . 2 . . . . 108 PRO HB3 . 6968 1 813 . 1 1 108 108 PRO C C 13 177.09 0.05 . 1 . . . . 108 PRO C . 6968 1 814 . 1 1 108 108 PRO CA C 13 63.09 0.05 . 1 . . . . 108 PRO CA . 6968 1 815 . 1 1 108 108 PRO CB C 13 32.05 0.05 . 1 . . . . 108 PRO CB . 6968 1 816 . 1 1 108 108 PRO N N 15 136.10 0.03 . 1 . . . . 108 PRO N . 6968 1 817 . 1 1 109 109 GLN H H 1 8.67 0.01 . 1 . . . . 109 GLN H . 6968 1 818 . 1 1 109 109 GLN HA H 1 4.36 0.01 . 1 . . . . 109 GLN HA . 6968 1 819 . 1 1 109 109 GLN HB2 H 1 2.12 0.01 . 2 . . . . 109 GLN HB2 . 6968 1 820 . 1 1 109 109 GLN HB3 H 1 2.00 0.01 . 2 . . . . 109 GLN HB3 . 6968 1 821 . 1 1 109 109 GLN C C 13 176.06 0.05 . 1 . . . . 109 GLN C . 6968 1 822 . 1 1 109 109 GLN CA C 13 55.70 0.05 . 1 . . . . 109 GLN CA . 6968 1 823 . 1 1 109 109 GLN CB C 13 29.71 0.05 . 1 . . . . 109 GLN CB . 6968 1 824 . 1 1 109 109 GLN N N 15 121.33 0.03 . 1 . . . . 109 GLN N . 6968 1 825 . 1 1 110 110 GLU H H 1 8.60 0.01 . 1 . . . . 110 GLU H . 6968 1 826 . 1 1 110 110 GLU HA H 1 4.31 0.01 . 1 . . . . 110 GLU HA . 6968 1 827 . 1 1 110 110 GLU HB2 H 1 2.07 0.01 . 2 . . . . 110 GLU HB2 . 6968 1 828 . 1 1 110 110 GLU HB3 H 1 2.03 0.01 . 2 . . . . 110 GLU HB3 . 6968 1 829 . 1 1 110 110 GLU C C 13 176.88 0.05 . 1 . . . . 110 GLU C . 6968 1 830 . 1 1 110 110 GLU CA C 13 56.70 0.05 . 1 . . . . 110 GLU CA . 6968 1 831 . 1 1 110 110 GLU CB C 13 30.50 0.05 . 1 . . . . 110 GLU CB . 6968 1 832 . 1 1 110 110 GLU N N 15 122.66 0.03 . 1 . . . . 110 GLU N . 6968 1 833 . 1 1 111 111 GLY H H 1 8.56 0.01 . 1 . . . . 111 GLY H . 6968 1 834 . 1 1 111 111 GLY HA2 H 1 3.96 0.01 . 1 . . . . 111 GLY HA2 . 6968 1 835 . 1 1 111 111 GLY HA3 H 1 3.96 0.01 . 1 . . . . 111 GLY HA3 . 6968 1 836 . 1 1 111 111 GLY C C 13 173.81 0.05 . 1 . . . . 111 GLY C . 6968 1 837 . 1 1 111 111 GLY CA C 13 45.24 0.05 . 1 . . . . 111 GLY CA . 6968 1 838 . 1 1 111 111 GLY N N 15 110.40 0.03 . 1 . . . . 111 GLY N . 6968 1 839 . 1 1 112 112 ILE H H 1 8.06 0.01 . 1 . . . . 112 ILE H . 6968 1 840 . 1 1 112 112 ILE HA H 1 4.18 0.01 . 1 . . . . 112 ILE HA . 6968 1 841 . 1 1 112 112 ILE HB H 1 1.88 0.01 . 1 . . . . 112 ILE HB . 6968 1 842 . 1 1 112 112 ILE C C 13 176.32 0.05 . 1 . . . . 112 ILE C . 6968 1 843 . 1 1 112 112 ILE CA C 13 60.95 0.05 . 1 . . . . 112 ILE CA . 6968 1 844 . 1 1 112 112 ILE CB C 13 38.67 0.05 . 1 . . . . 112 ILE CB . 6968 1 845 . 1 1 112 112 ILE N N 15 120.27 0.03 . 1 . . . . 112 ILE N . 6968 1 846 . 1 1 113 113 LEU H H 1 8.48 0.01 . 1 . . . . 113 LEU H . 6968 1 847 . 1 1 113 113 LEU HA H 1 4.41 0.01 . 1 . . . . 113 LEU HA . 6968 1 848 . 1 1 113 113 LEU HB2 H 1 1.64 0.01 . 2 . . . . 113 LEU HB2 . 6968 1 849 . 1 1 113 113 LEU HB3 H 1 1.64 0.01 . 2 . . . . 113 LEU HB3 . 6968 1 850 . 1 1 113 113 LEU C C 13 177.20 0.05 . 1 . . . . 113 LEU C . 6968 1 851 . 1 1 113 113 LEU CA C 13 55.02 0.05 . 1 . . . . 113 LEU CA . 6968 1 852 . 1 1 113 113 LEU CB C 13 42.36 0.05 . 1 . . . . 113 LEU CB . 6968 1 853 . 1 1 113 113 LEU N N 15 127.13 0.03 . 1 . . . . 113 LEU N . 6968 1 854 . 1 1 114 114 GLU H H 1 8.49 0.01 . 1 . . . . 114 GLU H . 6968 1 855 . 1 1 114 114 GLU HA H 1 4.26 0.01 . 1 . . . . 114 GLU HA . 6968 1 856 . 1 1 114 114 GLU HB2 H 1 2.04 0.01 . 2 . . . . 114 GLU HB2 . 6968 1 857 . 1 1 114 114 GLU HB3 H 1 1.91 0.01 . 2 . . . . 114 GLU HB3 . 6968 1 858 . 1 1 114 114 GLU C C 13 175.91 0.05 . 1 . . . . 114 GLU C . 6968 1 859 . 1 1 114 114 GLU CA C 13 56.48 0.05 . 1 . . . . 114 GLU CA . 6968 1 860 . 1 1 114 114 GLU CB C 13 30.57 0.05 . 1 . . . . 114 GLU CB . 6968 1 861 . 1 1 114 114 GLU N N 15 122.37 0.03 . 1 . . . . 114 GLU N . 6968 1 862 . 1 1 115 115 ASP H H 1 8.43 0.01 . 1 . . . . 115 ASP H . 6968 1 863 . 1 1 115 115 ASP HA H 1 4.58 0.01 . 1 . . . . 115 ASP HA . 6968 1 864 . 1 1 115 115 ASP HB2 H 1 2.68 0.01 . 2 . . . . 115 ASP HB2 . 6968 1 865 . 1 1 115 115 ASP HB3 H 1 2.57 0.01 . 2 . . . . 115 ASP HB3 . 6968 1 866 . 1 1 115 115 ASP C C 13 175.82 0.05 . 1 . . . . 115 ASP C . 6968 1 867 . 1 1 115 115 ASP CA C 13 54.25 0.05 . 1 . . . . 115 ASP CA . 6968 1 868 . 1 1 115 115 ASP CB C 13 41.15 0.05 . 1 . . . . 115 ASP CB . 6968 1 869 . 1 1 115 115 ASP N N 15 121.53 0.03 . 1 . . . . 115 ASP N . 6968 1 870 . 1 1 116 116 MET H H 1 8.33 0.01 . 1 . . . . 116 MET H . 6968 1 871 . 1 1 116 116 MET HA H 1 4.80 0.01 . 1 . . . . 116 MET HA . 6968 1 872 . 1 1 116 116 MET HB2 H 1 2.66 0.01 . 2 . . . . 116 MET HB2 . 6968 1 873 . 1 1 116 116 MET HB3 H 1 2.58 0.01 . 2 . . . . 116 MET HB3 . 6968 1 874 . 1 1 116 116 MET C C 13 174.10 0.05 . 1 . . . . 116 MET C . 6968 1 875 . 1 1 116 116 MET CA C 13 53.21 0.05 . 1 . . . . 116 MET CA . 6968 1 876 . 1 1 116 116 MET CB C 13 31.98 0.05 . 1 . . . . 116 MET CB . 6968 1 877 . 1 1 116 116 MET N N 15 122.12 0.03 . 1 . . . . 116 MET N . 6968 1 878 . 1 1 117 117 PRO HA H 1 4.29 0.01 . 1 . . . . 117 PRO HA . 6968 1 879 . 1 1 117 117 PRO HB2 H 1 2.30 0.01 . 2 . . . . 117 PRO HB2 . 6968 1 880 . 1 1 117 117 PRO HB3 H 1 1.89 0.01 . 2 . . . . 117 PRO HB3 . 6968 1 881 . 1 1 117 117 PRO C C 13 176.75 0.05 . 1 . . . . 117 PRO C . 6968 1 882 . 1 1 117 117 PRO CA C 13 62.96 0.05 . 1 . . . . 117 PRO CA . 6968 1 883 . 1 1 117 117 PRO CB C 13 32.12 0.05 . 1 . . . . 117 PRO CB . 6968 1 884 . 1 1 117 117 PRO N N 15 137.56 0.03 . 1 . . . . 117 PRO N . 6968 1 885 . 1 1 118 118 VAL H H 1 8.38 0.01 . 1 . . . . 118 VAL H . 6968 1 886 . 1 1 118 118 VAL HA H 1 4.08 0.01 . 1 . . . . 118 VAL HA . 6968 1 887 . 1 1 118 118 VAL HB H 1 2.02 0.01 . 1 . . . . 118 VAL HB . 6968 1 888 . 1 1 118 118 VAL C C 13 175.79 0.05 . 1 . . . . 118 VAL C . 6968 1 889 . 1 1 118 118 VAL CA C 13 61.95 0.05 . 1 . . . . 118 VAL CA . 6968 1 890 . 1 1 118 118 VAL CB C 13 32.99 0.05 . 1 . . . . 118 VAL CB . 6968 1 891 . 1 1 118 118 VAL N N 15 121.01 0.03 . 1 . . . . 118 VAL N . 6968 1 892 . 1 1 119 119 ASP H H 1 8.60 0.01 . 1 . . . . 119 ASP H . 6968 1 893 . 1 1 119 119 ASP HA H 1 4.89 0.01 . 1 . . . . 119 ASP HA . 6968 1 894 . 1 1 119 119 ASP HB2 H 1 2.79 0.01 . 2 . . . . 119 ASP HB2 . 6968 1 895 . 1 1 119 119 ASP HB3 H 1 2.54 0.01 . 2 . . . . 119 ASP HB3 . 6968 1 896 . 1 1 119 119 ASP C C 13 174.75 0.05 . 1 . . . . 119 ASP C . 6968 1 897 . 1 1 119 119 ASP CA C 13 52.09 0.05 . 1 . . . . 119 ASP CA . 6968 1 898 . 1 1 119 119 ASP CB C 13 41.09 0.05 . 1 . . . . 119 ASP CB . 6968 1 899 . 1 1 119 119 ASP N N 15 126.10 0.03 . 1 . . . . 119 ASP N . 6968 1 900 . 1 1 120 120 PRO HA H 1 4.33 0.01 . 1 . . . . 120 PRO HA . 6968 1 901 . 1 1 120 120 PRO HB2 H 1 2.26 0.01 . 2 . . . . 120 PRO HB2 . 6968 1 902 . 1 1 120 120 PRO HB3 H 1 1.96 0.01 . 2 . . . . 120 PRO HB3 . 6968 1 903 . 1 1 120 120 PRO C C 13 176.96 0.05 . 1 . . . . 120 PRO C . 6968 1 904 . 1 1 120 120 PRO CA C 13 63.53 0.05 . 1 . . . . 120 PRO CA . 6968 1 905 . 1 1 120 120 PRO CB C 13 32.16 0.05 . 1 . . . . 120 PRO CB . 6968 1 906 . 1 1 120 120 PRO N N 15 136.63 0.03 . 1 . . . . 120 PRO N . 6968 1 907 . 1 1 121 121 ASP H H 1 8.45 0.01 . 1 . . . . 121 ASP H . 6968 1 908 . 1 1 121 121 ASP HA H 1 4.61 0.01 . 1 . . . . 121 ASP HA . 6968 1 909 . 1 1 121 121 ASP HB2 H 1 2.75 0.01 . 2 . . . . 121 ASP HB2 . 6968 1 910 . 1 1 121 121 ASP HB3 H 1 2.60 0.01 . 2 . . . . 121 ASP HB3 . 6968 1 911 . 1 1 121 121 ASP C C 13 176.20 0.05 . 1 . . . . 121 ASP C . 6968 1 912 . 1 1 121 121 ASP CA C 13 54.57 0.05 . 1 . . . . 121 ASP CA . 6968 1 913 . 1 1 121 121 ASP CB C 13 40.89 0.05 . 1 . . . . 121 ASP CB . 6968 1 914 . 1 1 121 121 ASP N N 15 119.34 0.03 . 1 . . . . 121 ASP N . 6968 1 915 . 1 1 122 122 ASN H H 1 8.16 0.01 . 1 . . . . 122 ASN H . 6968 1 916 . 1 1 122 122 ASN HA H 1 4.69 0.01 . 1 . . . . 122 ASN HA . 6968 1 917 . 1 1 122 122 ASN HB2 H 1 2.84 0.01 . 2 . . . . 122 ASN HB2 . 6968 1 918 . 1 1 122 122 ASN HB3 H 1 2.74 0.01 . 2 . . . . 122 ASN HB3 . 6968 1 919 . 1 1 122 122 ASN C C 13 175.44 0.05 . 1 . . . . 122 ASN C . 6968 1 920 . 1 1 122 122 ASN CA C 13 53.49 0.05 . 1 . . . . 122 ASN CA . 6968 1 921 . 1 1 122 122 ASN CB C 13 39.35 0.05 . 1 . . . . 122 ASN CB . 6968 1 922 . 1 1 122 122 ASN N N 15 119.22 0.03 . 1 . . . . 122 ASN N . 6968 1 923 . 1 1 123 123 GLU H H 1 8.45 0.01 . 1 . . . . 123 GLU H . 6968 1 924 . 1 1 123 123 GLU HA H 1 4.22 0.01 . 1 . . . . 123 GLU HA . 6968 1 925 . 1 1 123 123 GLU HB2 H 1 2.03 0.01 . 2 . . . . 123 GLU HB2 . 6968 1 926 . 1 1 123 123 GLU HB3 H 1 1.94 0.01 . 2 . . . . 123 GLU HB3 . 6968 1 927 . 1 1 123 123 GLU C C 13 176.13 0.05 . 1 . . . . 123 GLU C . 6968 1 928 . 1 1 123 123 GLU CA C 13 56.88 0.05 . 1 . . . . 123 GLU CA . 6968 1 929 . 1 1 123 123 GLU CB C 13 30.11 0.05 . 1 . . . . 123 GLU CB . 6968 1 930 . 1 1 123 123 GLU N N 15 121.91 0.03 . 1 . . . . 123 GLU N . 6968 1 931 . 1 1 124 124 ALA H H 1 8.29 0.01 . 1 . . . . 124 ALA H . 6968 1 932 . 1 1 124 124 ALA HA H 1 4.29 0.01 . 1 . . . . 124 ALA HA . 6968 1 933 . 1 1 124 124 ALA HB1 H 1 1.32 0.01 . 1 . . . . 124 ALA HB . 6968 1 934 . 1 1 124 124 ALA HB2 H 1 1.32 0.01 . 1 . . . . 124 ALA HB . 6968 1 935 . 1 1 124 124 ALA HB3 H 1 1.32 0.01 . 1 . . . . 124 ALA HB . 6968 1 936 . 1 1 124 124 ALA C C 13 177.26 0.05 . 1 . . . . 124 ALA C . 6968 1 937 . 1 1 124 124 ALA CA C 13 52.34 0.05 . 1 . . . . 124 ALA CA . 6968 1 938 . 1 1 124 124 ALA CB C 13 19.19 0.05 . 1 . . . . 124 ALA CB . 6968 1 939 . 1 1 124 124 ALA N N 15 124.48 0.03 . 1 . . . . 124 ALA N . 6968 1 940 . 1 1 125 125 TYR H H 1 8.09 0.01 . 1 . . . . 125 TYR H . 6968 1 941 . 1 1 125 125 TYR HA H 1 4.52 0.01 . 1 . . . . 125 TYR HA . 6968 1 942 . 1 1 125 125 TYR HB2 H 1 2.99 0.01 . 2 . . . . 125 TYR HB2 . 6968 1 943 . 1 1 125 125 TYR HB3 H 1 2.99 0.01 . 2 . . . . 125 TYR HB3 . 6968 1 944 . 1 1 125 125 TYR C C 13 175.37 0.05 . 1 . . . . 125 TYR C . 6968 1 945 . 1 1 125 125 TYR CA C 13 57.80 0.05 . 1 . . . . 125 TYR CA . 6968 1 946 . 1 1 125 125 TYR CB C 13 39.01 0.05 . 1 . . . . 125 TYR CB . 6968 1 947 . 1 1 125 125 TYR N N 15 120.11 0.03 . 1 . . . . 125 TYR N . 6968 1 948 . 1 1 126 126 GLU H H 1 8.18 0.01 . 1 . . . . 126 GLU H . 6968 1 949 . 1 1 126 126 GLU HA H 1 4.26 0.01 . 1 . . . . 126 GLU HA . 6968 1 950 . 1 1 126 126 GLU HB2 H 1 1.92 0.01 . 2 . . . . 126 GLU HB2 . 6968 1 951 . 1 1 126 126 GLU HB3 H 1 1.83 0.01 . 2 . . . . 126 GLU HB3 . 6968 1 952 . 1 1 126 126 GLU C C 13 175.43 0.05 . 1 . . . . 126 GLU C . 6968 1 953 . 1 1 126 126 GLU CA C 13 55.65 0.05 . 1 . . . . 126 GLU CA . 6968 1 954 . 1 1 126 126 GLU CB C 13 30.76 0.05 . 1 . . . . 126 GLU CB . 6968 1 955 . 1 1 126 126 GLU N N 15 123.97 0.03 . 1 . . . . 126 GLU N . 6968 1 956 . 1 1 127 127 MET H H 1 8.49 0.01 . 1 . . . . 127 MET H . 6968 1 957 . 1 1 127 127 MET HA H 1 4.69 0.01 . 1 . . . . 127 MET HA . 6968 1 958 . 1 1 127 127 MET HB2 H 1 2.03 0.01 . 2 . . . . 127 MET HB2 . 6968 1 959 . 1 1 127 127 MET HB3 H 1 2.03 0.01 . 2 . . . . 127 MET HB3 . 6968 1 960 . 1 1 127 127 MET C C 13 174.28 0.05 . 1 . . . . 127 MET C . 6968 1 961 . 1 1 127 127 MET CA C 13 53.38 0.05 . 1 . . . . 127 MET CA . 6968 1 962 . 1 1 127 127 MET CB C 13 32.31 0.05 . 1 . . . . 127 MET CB . 6968 1 963 . 1 1 127 127 MET N N 15 124.02 0.03 . 1 . . . . 127 MET N . 6968 1 964 . 1 1 128 128 PRO HA H 1 4.45 0.01 . 1 . . . . 128 PRO HA . 6968 1 965 . 1 1 128 128 PRO HB2 H 1 2.32 0.01 . 2 . . . . 128 PRO HB2 . 6968 1 966 . 1 1 128 128 PRO HB3 H 1 1.93 0.01 . 2 . . . . 128 PRO HB3 . 6968 1 967 . 1 1 128 128 PRO C C 13 176.92 0.05 . 1 . . . . 128 PRO C . 6968 1 968 . 1 1 128 128 PRO CA C 13 63.07 0.05 . 1 . . . . 128 PRO CA . 6968 1 969 . 1 1 128 128 PRO CB C 13 32.25 0.05 . 1 . . . . 128 PRO CB . 6968 1 970 . 1 1 128 128 PRO N N 15 137.87 0.03 . 1 . . . . 128 PRO N . 6968 1 971 . 1 1 129 129 SER H H 1 8.55 0.01 . 1 . . . . 129 SER H . 6968 1 972 . 1 1 129 129 SER HA H 1 4.43 0.01 . 1 . . . . 129 SER HA . 6968 1 973 . 1 1 129 129 SER HB2 H 1 3.84 0.01 . 2 . . . . 129 SER HB2 . 6968 1 974 . 1 1 129 129 SER HB3 H 1 3.84 0.01 . 2 . . . . 129 SER HB3 . 6968 1 975 . 1 1 129 129 SER C C 13 174.84 0.05 . 1 . . . . 129 SER C . 6968 1 976 . 1 1 129 129 SER CA C 13 58.30 0.05 . 1 . . . . 129 SER CA . 6968 1 977 . 1 1 129 129 SER CB C 13 63.89 0.05 . 1 . . . . 129 SER CB . 6968 1 978 . 1 1 129 129 SER N N 15 116.89 0.03 . 1 . . . . 129 SER N . 6968 1 979 . 1 1 130 130 GLU H H 1 8.65 0.01 . 1 . . . . 130 GLU H . 6968 1 980 . 1 1 130 130 GLU HA H 1 4.32 0.01 . 1 . . . . 130 GLU HA . 6968 1 981 . 1 1 130 130 GLU HB2 H 1 2.09 0.01 . 2 . . . . 130 GLU HB2 . 6968 1 982 . 1 1 130 130 GLU HB3 H 1 1.95 0.01 . 2 . . . . 130 GLU HB3 . 6968 1 983 . 1 1 130 130 GLU C C 13 176.56 0.05 . 1 . . . . 130 GLU C . 6968 1 984 . 1 1 130 130 GLU CA C 13 56.56 0.05 . 1 . . . . 130 GLU CA . 6968 1 985 . 1 1 130 130 GLU CB C 13 30.35 0.05 . 1 . . . . 130 GLU CB . 6968 1 986 . 1 1 130 130 GLU N N 15 123.29 0.03 . 1 . . . . 130 GLU N . 6968 1 987 . 1 1 131 131 GLU H H 1 8.53 0.01 . 1 . . . . 131 GLU H . 6968 1 988 . 1 1 131 131 GLU HA H 1 4.26 0.01 . 1 . . . . 131 GLU HA . 6968 1 989 . 1 1 131 131 GLU HB2 H 1 2.07 0.01 . 2 . . . . 131 GLU HB2 . 6968 1 990 . 1 1 131 131 GLU HB3 H 1 1.94 0.01 . 2 . . . . 131 GLU HB3 . 6968 1 991 . 1 1 131 131 GLU C C 13 176.98 0.05 . 1 . . . . 131 GLU C . 6968 1 992 . 1 1 131 131 GLU CA C 13 56.89 0.05 . 1 . . . . 131 GLU CA . 6968 1 993 . 1 1 131 131 GLU CB C 13 30.27 0.05 . 1 . . . . 131 GLU CB . 6968 1 994 . 1 1 131 131 GLU N N 15 122.08 0.03 . 1 . . . . 131 GLU N . 6968 1 995 . 1 1 132 132 GLY H H 1 8.50 0.01 . 1 . . . . 132 GLY H . 6968 1 996 . 1 1 132 132 GLY HA2 H 1 3.93 0.01 . 1 . . . . 132 GLY HA2 . 6968 1 997 . 1 1 132 132 GLY HA3 H 1 3.93 0.01 . 1 . . . . 132 GLY HA3 . 6968 1 998 . 1 1 132 132 GLY C C 13 173.89 0.05 . 1 . . . . 132 GLY C . 6968 1 999 . 1 1 132 132 GLY CA C 13 45.19 0.05 . 1 . . . . 132 GLY CA . 6968 1 1000 . 1 1 132 132 GLY N N 15 110.17 0.03 . 1 . . . . 132 GLY N . 6968 1 1001 . 1 1 133 133 TYR H H 1 8.13 0.01 . 1 . . . . 133 TYR H . 6968 1 1002 . 1 1 133 133 TYR HA H 1 4.52 0.01 . 1 . . . . 133 TYR HA . 6968 1 1003 . 1 1 133 133 TYR HB2 H 1 3.00 0.01 . 2 . . . . 133 TYR HB2 . 6968 1 1004 . 1 1 133 133 TYR HB3 H 1 3.00 0.01 . 2 . . . . 133 TYR HB3 . 6968 1 1005 . 1 1 133 133 TYR C C 13 175.80 0.05 . 1 . . . . 133 TYR C . 6968 1 1006 . 1 1 133 133 TYR CA C 13 58.21 0.05 . 1 . . . . 133 TYR CA . 6968 1 1007 . 1 1 133 133 TYR CB C 13 38.78 0.05 . 1 . . . . 133 TYR CB . 6968 1 1008 . 1 1 133 133 TYR N N 15 120.40 0.03 . 1 . . . . 133 TYR N . 6968 1 1009 . 1 1 134 134 GLN H H 1 8.30 0.01 . 1 . . . . 134 GLN H . 6968 1 1010 . 1 1 134 134 GLN HA H 1 4.27 0.01 . 1 . . . . 134 GLN HA . 6968 1 1011 . 1 1 134 134 GLN HB2 H 1 1.95 0.01 . 2 . . . . 134 GLN HB2 . 6968 1 1012 . 1 1 134 134 GLN HB3 H 1 1.85 0.01 . 2 . . . . 134 GLN HB3 . 6968 1 1013 . 1 1 134 134 GLN C C 13 174.91 0.05 . 1 . . . . 134 GLN C . 6968 1 1014 . 1 1 134 134 GLN CA C 13 55.46 0.05 . 1 . . . . 134 GLN CA . 6968 1 1015 . 1 1 134 134 GLN CB C 13 29.82 0.05 . 1 . . . . 134 GLN CB . 6968 1 1016 . 1 1 134 134 GLN N N 15 122.82 0.03 . 1 . . . . 134 GLN N . 6968 1 1017 . 1 1 135 135 ASP H H 1 8.30 0.01 . 1 . . . . 135 ASP H . 6968 1 1018 . 1 1 135 135 ASP HA H 1 4.54 0.01 . 1 . . . . 135 ASP HA . 6968 1 1019 . 1 1 135 135 ASP HB2 H 1 2.66 0.01 . 2 . . . . 135 ASP HB2 . 6968 1 1020 . 1 1 135 135 ASP HB3 H 1 2.56 0.01 . 2 . . . . 135 ASP HB3 . 6968 1 1021 . 1 1 135 135 ASP C C 13 175.54 0.05 . 1 . . . . 135 ASP C . 6968 1 1022 . 1 1 135 135 ASP CA C 13 54.26 0.05 . 1 . . . . 135 ASP CA . 6968 1 1023 . 1 1 135 135 ASP CB C 13 41.16 0.05 . 1 . . . . 135 ASP CB . 6968 1 1024 . 1 1 135 135 ASP N N 15 121.77 0.03 . 1 . . . . 135 ASP N . 6968 1 1025 . 1 1 136 136 TYR H H 1 8.10 0.01 . 1 . . . . 136 TYR H . 6968 1 1026 . 1 1 136 136 TYR HA H 1 4.56 0.01 . 1 . . . . 136 TYR HA . 6968 1 1027 . 1 1 136 136 TYR HB2 H 1 2.97 0.01 . 2 . . . . 136 TYR HB2 . 6968 1 1028 . 1 1 136 136 TYR HB3 H 1 2.97 0.01 . 2 . . . . 136 TYR HB3 . 6968 1 1029 . 1 1 136 136 TYR C C 13 175.11 0.05 . 1 . . . . 136 TYR C . 6968 1 1030 . 1 1 136 136 TYR CA C 13 57.59 0.05 . 1 . . . . 136 TYR CA . 6968 1 1031 . 1 1 136 136 TYR CB C 13 39.11 0.05 . 1 . . . . 136 TYR CB . 6968 1 1032 . 1 1 136 136 TYR N N 15 120.61 0.03 . 1 . . . . 136 TYR N . 6968 1 1033 . 1 1 137 137 GLU H H 1 8.31 0.01 . 1 . . . . 137 GLU H . 6968 1 1034 . 1 1 137 137 GLU HA H 1 4.55 0.01 . 1 . . . . 137 GLU HA . 6968 1 1035 . 1 1 137 137 GLU HB2 H 1 1.96 0.01 . 2 . . . . 137 GLU HB2 . 6968 1 1036 . 1 1 137 137 GLU HB3 H 1 1.84 0.01 . 2 . . . . 137 GLU HB3 . 6968 1 1037 . 1 1 137 137 GLU C C 13 173.71 0.05 . 1 . . . . 137 GLU C . 6968 1 1038 . 1 1 137 137 GLU CA C 13 53.61 0.05 . 1 . . . . 137 GLU CA . 6968 1 1039 . 1 1 137 137 GLU CB C 13 30.29 0.05 . 1 . . . . 137 GLU CB . 6968 1 1040 . 1 1 137 137 GLU N N 15 125.52 0.03 . 1 . . . . 137 GLU N . 6968 1 1041 . 1 1 138 138 PRO HA H 1 4.36 0.01 . 1 . . . . 138 PRO HA . 6968 1 1042 . 1 1 138 138 PRO HB2 H 1 2.32 0.01 . 2 . . . . 138 PRO HB2 . 6968 1 1043 . 1 1 138 138 PRO HB3 H 1 1.95 0.01 . 2 . . . . 138 PRO HB3 . 6968 1 1044 . 1 1 138 138 PRO C C 13 176.90 0.05 . 1 . . . . 138 PRO C . 6968 1 1045 . 1 1 138 138 PRO CA C 13 62.93 0.05 . 1 . . . . 138 PRO CA . 6968 1 1046 . 1 1 138 138 PRO CB C 13 32.19 0.05 . 1 . . . . 138 PRO CB . 6968 1 1047 . 1 1 138 138 PRO N N 15 136.89 0.03 . 1 . . . . 138 PRO N . 6968 1 1048 . 1 1 139 139 GLU H H 1 8.54 0.01 . 1 . . . . 139 GLU H . 6968 1 1049 . 1 1 139 139 GLU HA H 1 4.23 0.01 . 1 . . . . 139 GLU HA . 6968 1 1050 . 1 1 139 139 GLU HB2 H 1 2.09 0.01 . 2 . . . . 139 GLU HB2 . 6968 1 1051 . 1 1 139 139 GLU HB3 H 1 1.96 0.01 . 2 . . . . 139 GLU HB3 . 6968 1 1052 . 1 1 139 139 GLU C C 13 175.44 0.05 . 1 . . . . 139 GLU C . 6968 1 1053 . 1 1 139 139 GLU CA C 13 56.59 0.05 . 1 . . . . 139 GLU CA . 6968 1 1054 . 1 1 139 139 GLU CB C 13 30.30 0.05 . 1 . . . . 139 GLU CB . 6968 1 1055 . 1 1 139 139 GLU N N 15 121.69 0.03 . 1 . . . . 139 GLU N . 6968 1 1056 . 1 1 140 140 ALA H H 1 8.07 0.01 . 1 . . . . 140 ALA H . 6968 1 1057 . 1 1 140 140 ALA HA H 1 4.11 0.01 . 1 . . . . 140 ALA HA . 6968 1 1058 . 1 1 140 140 ALA HB1 H 1 1.34 0.01 . 1 . . . . 140 ALA HB . 6968 1 1059 . 1 1 140 140 ALA HB2 H 1 1.34 0.01 . 1 . . . . 140 ALA HB . 6968 1 1060 . 1 1 140 140 ALA HB3 H 1 1.34 0.01 . 1 . . . . 140 ALA HB . 6968 1 1061 . 1 1 140 140 ALA CA C 13 53.84 0.05 . 1 . . . . 140 ALA CA . 6968 1 1062 . 1 1 140 140 ALA CB C 13 20.19 0.05 . 1 . . . . 140 ALA CB . 6968 1 1063 . 1 1 140 140 ALA N N 15 131.04 0.03 . 1 . . . . 140 ALA N . 6968 1 stop_ save_