data_5744 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5744 _Entry.Title ; Backbone Assignments of folded alpha-synuclein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-17 _Entry.Accession_date 2003-03-18 _Entry.Last_release_date 2003-05-22 _Entry.Original_release_date 2003-05-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sreeganga Chandra . . . 5744 2 Xiaocheng Chen . . . 5744 3 Josep Rizo . . . 5744 4 Reinhard Jahn . . . 5744 5 Thomas Sudhof . . . 5744 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5744 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 292 5744 '13C chemical shifts' 262 5744 '15N chemical shifts' 134 5744 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-05-22 2003-03-17 original author . 5744 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5744 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22590450 _Citation.DOI . _Citation.PubMed_ID 12586824 _Citation.Full_citation . _Citation.Title 'A Broken Alpha-helix in Folded Alpha-synuclein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _Citation.Journal_issue 17 _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 15313 _Citation.Page_last 15318 _Citation.Year 2003 _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 Sreeganga Chandra . . . 5744 1 2 Xiaocheng Chen . . . 5744 1 3 Josep Rizo . . . 5744 1 4 Reinhard Jahn . . . 5744 1 5 Thomas Sudhof . . . 5744 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Parkinson 5744 1 aggregation 5744 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_alpha-synuclein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_alpha-synuclein _Assembly.Entry_ID 5744 _Assembly.ID 1 _Assembly.Name 'human alpha-synuclein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5744 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 'human alpha-synuclein, alpha-synuclein' 1 $alpha-synuclein . . . native . . . . . 5744 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes SwissProt P37840 . . . . . . 5744 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'human alpha-synuclein' system 5744 1 alpha-synuclein abbreviation 5744 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alpha-synuclein _Entity.Sf_category entity _Entity.Sf_framecode alpha-synuclein _Entity.Entry_ID 5744 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name alpha-synuclein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14463 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16300 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 2 no BMRB 16302 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 3 no BMRB 16342 . human_a-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 4 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 5 no BMRB 16546 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 7.10e-89 . . . . 5744 1 6 no BMRB 16547 . E46K_alpha-synuclein . . . . . 100.00 140 99.29 100.00 3.42e-89 . . . . 5744 1 7 no BMRB 16548 . A53T_alpha-synuclein . . . . . 100.00 140 99.29 99.29 2.84e-89 . . . . 5744 1 8 no BMRB 16904 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 9 no BMRB 16939 . WT_alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 1.44e-88 . . . . 5744 1 10 no BMRB 17214 . A30P_alpha-synuclein . . . . . 100.00 140 99.29 99.29 7.10e-89 . . . . 5744 1 11 no BMRB 17498 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 12 no BMRB 17648 . A30P_alpha-synuclein . . . . . 100.00 140 98.57 98.57 1.54e-87 . . . . 5744 1 13 no BMRB 17649 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 5.24e-88 . . . . 5744 1 14 no BMRB 17654 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 6.10e-88 . . . . 5744 1 15 no BMRB 17665 . aSyn . . . . . 100.00 150 100.00 100.00 3.62e-89 . . . . 5744 1 16 no BMRB 17910 . wild-type_alpha-synuclein_formed_in_phospholipid_vesicles . . . . . 100.00 140 99.29 99.29 1.44e-88 . . . . 5744 1 17 no BMRB 18207 . A53T_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 98.57 5.24e-88 . . . . 5744 1 18 no BMRB 18208 . E46K_alpha-synuclein_fibrils . . . . . 100.00 140 98.57 99.29 6.10e-88 . . . . 5744 1 19 no BMRB 18243 . alpha-synuclein_fibrils . . . . . 100.00 140 99.29 99.29 1.44e-88 . . . . 5744 1 20 no BMRB 18857 . alpha_synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 21 no BMRB 18860 . a-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 22 no BMRB 19257 . Alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 23 no BMRB 19337 . aSyn . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 24 no BMRB 19338 . aSyn_A53T . . . . . 100.00 140 99.29 99.29 2.84e-89 . . . . 5744 1 25 no BMRB 19344 . aSyn_S87N . . . . . 100.00 140 99.29 100.00 3.10e-89 . . . . 5744 1 26 no BMRB 19345 . aSyn_A53T&S87N . . . . . 100.00 140 98.57 99.29 1.38e-88 . . . . 5744 1 27 no BMRB 19350 . acet_aSyn . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 28 no BMRB 19351 . acet_aSyn_A53T . . . . . 100.00 140 99.29 99.29 2.84e-89 . . . . 5744 1 29 no BMRB 6968 . naturally_unfolded_alpha-synuclein . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 30 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 31 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 32 no DBJ BAB29375 . "unnamed protein product [Mus musculus]" . . . . . 72.86 122 97.06 99.02 1.82e-56 . . . . 5744 1 33 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 34 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 35 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 36 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 37 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 38 no GB AAC02114 . "NACP/alpha-synuclein [Homo sapiens]" . . . . . 100.00 140 98.57 98.57 4.03e-88 . . . . 5744 1 39 no GB AAG30302 . "SNCA isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 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 . . . . 5744 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 . . . . 5744 1 42 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 43 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 44 no REF NP_001032222 . "alpha-synuclein [Sus scrofa]" . . . . . 100.00 140 97.86 97.86 1.13e-86 . . . . 5744 1 45 no REF NP_001129014 . "alpha-synuclein [Pongo abelii]" . . . . . 100.00 140 99.29 99.29 1.35e-88 . . . . 5744 1 46 no REF NP_001139526 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 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 . . . . 5744 1 48 no SP P61139 . "RecName: Full=Alpha-synuclein [Erythrocebus patas]" . . . . . 100.00 140 99.29 100.00 1.70e-89 . . . . 5744 1 49 no SP P61140 . "RecName: Full=Alpha-synuclein [Gorilla gorilla gorilla]" . . . . . 100.00 140 100.00 100.00 8.09e-90 . . . . 5744 1 50 no SP P61142 . "RecName: Full=Alpha-synuclein [Macaca fascicularis]" . . . . . 100.00 140 98.57 100.00 2.36e-89 . . . . 5744 1 51 no SP P61143 . "RecName: Full=Alpha-synuclein [Macaca mulatta]" . . . . . 100.00 140 98.57 100.00 2.36e-89 . . . . 5744 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID alpha-synuclein common 5744 1 alpha-synuclein abbreviation 5744 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 . 5744 1 2 . ASP . 5744 1 3 . VAL . 5744 1 4 . PHE . 5744 1 5 . MET . 5744 1 6 . LYS . 5744 1 7 . GLY . 5744 1 8 . LEU . 5744 1 9 . SER . 5744 1 10 . LYS . 5744 1 11 . ALA . 5744 1 12 . LYS . 5744 1 13 . GLU . 5744 1 14 . GLY . 5744 1 15 . VAL . 5744 1 16 . VAL . 5744 1 17 . ALA . 5744 1 18 . ALA . 5744 1 19 . ALA . 5744 1 20 . GLU . 5744 1 21 . LYS . 5744 1 22 . THR . 5744 1 23 . LYS . 5744 1 24 . GLN . 5744 1 25 . GLY . 5744 1 26 . VAL . 5744 1 27 . ALA . 5744 1 28 . GLU . 5744 1 29 . ALA . 5744 1 30 . ALA . 5744 1 31 . GLY . 5744 1 32 . LYS . 5744 1 33 . THR . 5744 1 34 . LYS . 5744 1 35 . GLU . 5744 1 36 . GLY . 5744 1 37 . VAL . 5744 1 38 . LEU . 5744 1 39 . TYR . 5744 1 40 . VAL . 5744 1 41 . GLY . 5744 1 42 . SER . 5744 1 43 . LYS . 5744 1 44 . THR . 5744 1 45 . LYS . 5744 1 46 . GLU . 5744 1 47 . GLY . 5744 1 48 . VAL . 5744 1 49 . VAL . 5744 1 50 . HIS . 5744 1 51 . GLY . 5744 1 52 . VAL . 5744 1 53 . ALA . 5744 1 54 . THR . 5744 1 55 . VAL . 5744 1 56 . ALA . 5744 1 57 . GLU . 5744 1 58 . LYS . 5744 1 59 . THR . 5744 1 60 . LYS . 5744 1 61 . GLU . 5744 1 62 . GLN . 5744 1 63 . VAL . 5744 1 64 . THR . 5744 1 65 . ASN . 5744 1 66 . VAL . 5744 1 67 . GLY . 5744 1 68 . GLY . 5744 1 69 . ALA . 5744 1 70 . VAL . 5744 1 71 . VAL . 5744 1 72 . THR . 5744 1 73 . GLY . 5744 1 74 . VAL . 5744 1 75 . THR . 5744 1 76 . ALA . 5744 1 77 . VAL . 5744 1 78 . ALA . 5744 1 79 . GLN . 5744 1 80 . LYS . 5744 1 81 . THR . 5744 1 82 . VAL . 5744 1 83 . GLU . 5744 1 84 . GLY . 5744 1 85 . ALA . 5744 1 86 . GLY . 5744 1 87 . SER . 5744 1 88 . ILE . 5744 1 89 . ALA . 5744 1 90 . ALA . 5744 1 91 . ALA . 5744 1 92 . THR . 5744 1 93 . GLY . 5744 1 94 . PHE . 5744 1 95 . VAL . 5744 1 96 . LYS . 5744 1 97 . LYS . 5744 1 98 . ASP . 5744 1 99 . GLN . 5744 1 100 . LEU . 5744 1 101 . GLY . 5744 1 102 . LYS . 5744 1 103 . ASN . 5744 1 104 . GLU . 5744 1 105 . GLU . 5744 1 106 . GLY . 5744 1 107 . ALA . 5744 1 108 . PRO . 5744 1 109 . GLN . 5744 1 110 . GLU . 5744 1 111 . GLY . 5744 1 112 . ILE . 5744 1 113 . LEU . 5744 1 114 . GLU . 5744 1 115 . ASP . 5744 1 116 . MET . 5744 1 117 . PRO . 5744 1 118 . VAL . 5744 1 119 . ASP . 5744 1 120 . PRO . 5744 1 121 . ASP . 5744 1 122 . ASN . 5744 1 123 . GLU . 5744 1 124 . ALA . 5744 1 125 . TYR . 5744 1 126 . GLU . 5744 1 127 . MET . 5744 1 128 . PRO . 5744 1 129 . SER . 5744 1 130 . GLU . 5744 1 131 . GLU . 5744 1 132 . GLY . 5744 1 133 . TYR . 5744 1 134 . GLN . 5744 1 135 . ASP . 5744 1 136 . TYR . 5744 1 137 . GLU . 5744 1 138 . PRO . 5744 1 139 . GLU . 5744 1 140 . ALA . 5744 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 5744 1 . ASP 2 2 5744 1 . VAL 3 3 5744 1 . PHE 4 4 5744 1 . MET 5 5 5744 1 . LYS 6 6 5744 1 . GLY 7 7 5744 1 . LEU 8 8 5744 1 . SER 9 9 5744 1 . LYS 10 10 5744 1 . ALA 11 11 5744 1 . LYS 12 12 5744 1 . GLU 13 13 5744 1 . GLY 14 14 5744 1 . VAL 15 15 5744 1 . VAL 16 16 5744 1 . ALA 17 17 5744 1 . ALA 18 18 5744 1 . ALA 19 19 5744 1 . GLU 20 20 5744 1 . LYS 21 21 5744 1 . THR 22 22 5744 1 . LYS 23 23 5744 1 . GLN 24 24 5744 1 . GLY 25 25 5744 1 . VAL 26 26 5744 1 . ALA 27 27 5744 1 . GLU 28 28 5744 1 . ALA 29 29 5744 1 . ALA 30 30 5744 1 . GLY 31 31 5744 1 . LYS 32 32 5744 1 . THR 33 33 5744 1 . LYS 34 34 5744 1 . GLU 35 35 5744 1 . GLY 36 36 5744 1 . VAL 37 37 5744 1 . LEU 38 38 5744 1 . TYR 39 39 5744 1 . VAL 40 40 5744 1 . GLY 41 41 5744 1 . SER 42 42 5744 1 . LYS 43 43 5744 1 . THR 44 44 5744 1 . LYS 45 45 5744 1 . GLU 46 46 5744 1 . GLY 47 47 5744 1 . VAL 48 48 5744 1 . VAL 49 49 5744 1 . HIS 50 50 5744 1 . GLY 51 51 5744 1 . VAL 52 52 5744 1 . ALA 53 53 5744 1 . THR 54 54 5744 1 . VAL 55 55 5744 1 . ALA 56 56 5744 1 . GLU 57 57 5744 1 . LYS 58 58 5744 1 . THR 59 59 5744 1 . LYS 60 60 5744 1 . GLU 61 61 5744 1 . GLN 62 62 5744 1 . VAL 63 63 5744 1 . THR 64 64 5744 1 . ASN 65 65 5744 1 . VAL 66 66 5744 1 . GLY 67 67 5744 1 . GLY 68 68 5744 1 . ALA 69 69 5744 1 . VAL 70 70 5744 1 . VAL 71 71 5744 1 . THR 72 72 5744 1 . GLY 73 73 5744 1 . VAL 74 74 5744 1 . THR 75 75 5744 1 . ALA 76 76 5744 1 . VAL 77 77 5744 1 . ALA 78 78 5744 1 . GLN 79 79 5744 1 . LYS 80 80 5744 1 . THR 81 81 5744 1 . VAL 82 82 5744 1 . GLU 83 83 5744 1 . GLY 84 84 5744 1 . ALA 85 85 5744 1 . GLY 86 86 5744 1 . SER 87 87 5744 1 . ILE 88 88 5744 1 . ALA 89 89 5744 1 . ALA 90 90 5744 1 . ALA 91 91 5744 1 . THR 92 92 5744 1 . GLY 93 93 5744 1 . PHE 94 94 5744 1 . VAL 95 95 5744 1 . LYS 96 96 5744 1 . LYS 97 97 5744 1 . ASP 98 98 5744 1 . GLN 99 99 5744 1 . LEU 100 100 5744 1 . GLY 101 101 5744 1 . LYS 102 102 5744 1 . ASN 103 103 5744 1 . GLU 104 104 5744 1 . GLU 105 105 5744 1 . GLY 106 106 5744 1 . ALA 107 107 5744 1 . PRO 108 108 5744 1 . GLN 109 109 5744 1 . GLU 110 110 5744 1 . GLY 111 111 5744 1 . ILE 112 112 5744 1 . LEU 113 113 5744 1 . GLU 114 114 5744 1 . ASP 115 115 5744 1 . MET 116 116 5744 1 . PRO 117 117 5744 1 . VAL 118 118 5744 1 . ASP 119 119 5744 1 . PRO 120 120 5744 1 . ASP 121 121 5744 1 . ASN 122 122 5744 1 . GLU 123 123 5744 1 . ALA 124 124 5744 1 . TYR 125 125 5744 1 . GLU 126 126 5744 1 . MET 127 127 5744 1 . PRO 128 128 5744 1 . SER 129 129 5744 1 . GLU 130 130 5744 1 . GLU 131 131 5744 1 . GLY 132 132 5744 1 . TYR 133 133 5744 1 . GLN 134 134 5744 1 . ASP 135 135 5744 1 . TYR 136 136 5744 1 . GLU 137 137 5744 1 . PRO 138 138 5744 1 . GLU 139 139 5744 1 . ALA 140 140 5744 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 5744 _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 $alpha-synuclein . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5744 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 5744 _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 $alpha-synuclein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5744 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5744 _Sample.ID 1 _Sample.Type micelles _Sample.Sub_type . _Sample.Details 'SDS micelles' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 alpha-synuclein '[U-15N; U-13C]' . . 1 $alpha-synuclein . . 0.3 . . mM . . . . 5744 1 2 SDS . . . . . . . 50 . . mM . . . . 5744 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5744 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 0.1 na 5744 1 temperature 298 0.2 K 5744 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5744 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5744 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5744 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 VARIAN INOVA . 500 . . . 5744 1 2 NMR_spectrometer_2 VARIAN INOVA . 600 . . . 5744 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5744 _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 1H-15N . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5744 1 2 NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5744 1 3 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5744 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5744 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5744 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5744 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5744 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5744 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5744 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5744 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5744 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5744 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5744 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5744 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5744 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5744 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5744 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H-15N 1 $sample_1 . 5744 1 2 NOESY-HSQC 1 $sample_1 . 5744 1 3 TOCSY-HSQC 1 $sample_1 . 5744 1 4 HNCO 1 $sample_1 . 5744 1 5 HNCACB 1 $sample_1 . 5744 1 6 CBCA(CO)NH 1 $sample_1 . 5744 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 H H 1 8.212 0.03 . 1 . . . . . . . . 5744 1 2 . 1 1 1 1 MET CA C 13 57.028 0.12 . 1 . . . . . . . . 5744 1 3 . 1 1 1 1 MET HA H 1 4.560 0.03 . 1 . . . . . . . . 5744 1 4 . 1 1 1 1 MET CB C 13 32.136 0.12 . 1 . . . . . . . . 5744 1 5 . 1 1 2 2 ASP N N 15 119.074 0.15 . 1 . . . . . . . . 5744 1 6 . 1 1 2 2 ASP H H 1 8.655 0.03 . 1 . . . . . . . . 5744 1 7 . 1 1 2 2 ASP CA C 13 57.164 0.12 . 1 . . . . . . . . 5744 1 8 . 1 1 2 2 ASP HA H 1 4.350 0.03 . 1 . . . . . . . . 5744 1 9 . 1 1 2 2 ASP CB C 13 40.205 0.12 . 1 . . . . . . . . 5744 1 10 . 1 1 3 3 VAL N N 15 119.104 0.15 . 1 . . . . . . . . 5744 1 11 . 1 1 3 3 VAL H H 1 7.858 0.03 . 1 . . . . . . . . 5744 1 12 . 1 1 3 3 VAL CA C 13 65.777 0.12 . 1 . . . . . . . . 5744 1 13 . 1 1 3 3 VAL HA H 1 3.754 0.03 . 1 . . . . . . . . 5744 1 14 . 1 1 3 3 VAL CB C 13 32.136 0.12 . 1 . . . . . . . . 5744 1 15 . 1 1 4 4 PHE N N 15 119.552 0.15 . 1 . . . . . . . . 5744 1 16 . 1 1 4 4 PHE H H 1 7.554 0.03 . 1 . . . . . . . . 5744 1 17 . 1 1 4 4 PHE CA C 13 60.997 0.12 . 1 . . . . . . . . 5744 1 18 . 1 1 4 4 PHE HA H 1 4.340 0.03 . 1 . . . . . . . . 5744 1 19 . 1 1 4 4 PHE CB C 13 39.586 0.12 . 1 . . . . . . . . 5744 1 20 . 1 1 5 5 MET N N 15 116.685 0.15 . 1 . . . . . . . . 5744 1 21 . 1 1 5 5 MET H H 1 8.215 0.03 . 1 . . . . . . . . 5744 1 22 . 1 1 5 5 MET CA C 13 57.873 0.12 . 1 . . . . . . . . 5744 1 23 . 1 1 5 5 MET HA H 1 4.330 0.03 . 1 . . . . . . . . 5744 1 24 . 1 1 5 5 MET CB C 13 31.754 0.12 . 1 . . . . . . . . 5744 1 25 . 1 1 6 6 LYS N N 15 120.560 0.15 . 1 . . . . . . . . 5744 1 26 . 1 1 6 6 LYS H H 1 8.038 0.03 . 1 . . . . . . . . 5744 1 27 . 1 1 6 6 LYS CA C 13 59.494 0.12 . 1 . . . . . . . . 5744 1 28 . 1 1 6 6 LYS HA H 1 4.120 0.03 . 1 . . . . . . . . 5744 1 29 . 1 1 6 6 LYS CB C 13 32.498 0.12 . 1 . . . . . . . . 5744 1 30 . 1 1 7 7 GLY N N 15 107.905 0.15 . 1 . . . . . . . . 5744 1 31 . 1 1 7 7 GLY H H 1 8.255 0.03 . 1 . . . . . . . . 5744 1 32 . 1 1 7 7 GLY CA C 13 47.432 0.12 . 1 . . . . . . . . 5744 1 33 . 1 1 7 7 GLY HA2 H 1 3.720 0.03 . 2 . . . . . . . . 5744 1 34 . 1 1 7 7 GLY HA3 H 1 3.900 0.03 . 2 . . . . . . . . 5744 1 35 . 1 1 8 8 LEU N N 15 121.817 0.15 . 1 . . . . . . . . 5744 1 36 . 1 1 8 8 LEU H H 1 8.353 0.03 . 1 . . . . . . . . 5744 1 37 . 1 1 8 8 LEU CA C 13 58.200 0.12 . 1 . . . . . . . . 5744 1 38 . 1 1 8 8 LEU HA H 1 4.023 0.03 . 1 . . . . . . . . 5744 1 39 . 1 1 8 8 LEU CB C 13 41.716 0.12 . 1 . . . . . . . . 5744 1 40 . 1 1 9 9 SER N N 15 113.290 0.15 . 1 . . . . . . . . 5744 1 41 . 1 1 9 9 SER H H 1 8.074 0.03 . 1 . . . . . . . . 5744 1 42 . 1 1 9 9 SER CA C 13 62.111 0.12 . 1 . . . . . . . . 5744 1 43 . 1 1 9 9 SER HA H 1 4.165 0.03 . 1 . . . . . . . . 5744 1 44 . 1 1 9 9 SER CB C 13 63.121 0.12 . 1 . . . . . . . . 5744 1 45 . 1 1 10 10 LYS N N 15 121.621 0.15 . 1 . . . . . . . . 5744 1 46 . 1 1 10 10 LYS H H 1 7.773 0.03 . 1 . . . . . . . . 5744 1 47 . 1 1 10 10 LYS CA C 13 58.664 0.12 . 1 . . . . . . . . 5744 1 48 . 1 1 10 10 LYS HA H 1 4.180 0.03 . 1 . . . . . . . . 5744 1 49 . 1 1 10 10 LYS CB C 13 32.526 0.12 . 1 . . . . . . . . 5744 1 50 . 1 1 11 11 ALA N N 15 122.202 0.15 . 1 . . . . . . . . 5744 1 51 . 1 1 11 11 ALA H H 1 8.313 0.03 . 1 . . . . . . . . 5744 1 52 . 1 1 11 11 ALA CA C 13 55.333 0.12 . 1 . . . . . . . . 5744 1 53 . 1 1 11 11 ALA HA H 1 4.121 0.03 . 1 . . . . . . . . 5744 1 54 . 1 1 11 11 ALA CB C 13 18.822 0.12 . 1 . . . . . . . . 5744 1 55 . 1 1 12 12 LYS N N 15 117.188 0.15 . 1 . . . . . . . . 5744 1 56 . 1 1 12 12 LYS H H 1 8.327 0.03 . 1 . . . . . . . . 5744 1 57 . 1 1 12 12 LYS CA C 13 60.652 0.12 . 1 . . . . . . . . 5744 1 58 . 1 1 12 12 LYS HA H 1 3.840 0.03 . 1 . . . . . . . . 5744 1 59 . 1 1 12 12 LYS CB C 13 32.644 0.12 . 1 . . . . . . . . 5744 1 60 . 1 1 13 13 GLU N N 15 116.807 0.15 . 1 . . . . . . . . 5744 1 61 . 1 1 13 13 GLU H H 1 7.961 0.03 . 1 . . . . . . . . 5744 1 62 . 1 1 13 13 GLU CA C 13 59.633 0.12 . 1 . . . . . . . . 5744 1 63 . 1 1 13 13 GLU HA H 1 4.010 0.03 . 1 . . . . . . . . 5744 1 64 . 1 1 13 13 GLU CB C 13 29.957 0.12 . 1 . . . . . . . . 5744 1 65 . 1 1 14 14 GLY N N 15 107.807 0.15 . 1 . . . . . . . . 5744 1 66 . 1 1 14 14 GLY H H 1 8.265 0.03 . 1 . . . . . . . . 5744 1 67 . 1 1 14 14 GLY CA C 13 47.404 0.12 . 1 . . . . . . . . 5744 1 68 . 1 1 14 14 GLY HA2 H 1 3.770 0.03 . 2 . . . . . . . . 5744 1 69 . 1 1 14 14 GLY HA3 H 1 4.000 0.03 . 2 . . . . . . . . 5744 1 70 . 1 1 15 15 VAL N N 15 122.030 0.15 . 1 . . . . . . . . 5744 1 71 . 1 1 15 15 VAL H H 1 8.352 0.03 . 1 . . . . . . . . 5744 1 72 . 1 1 15 15 VAL CA C 13 67.000 0.12 . 1 . . . . . . . . 5744 1 73 . 1 1 15 15 VAL HA H 1 3.740 0.03 . 1 . . . . . . . . 5744 1 74 . 1 1 15 15 VAL CB C 13 31.918 0.12 . 1 . . . . . . . . 5744 1 75 . 1 1 16 16 VAL N N 15 119.651 0.15 . 1 . . . . . . . . 5744 1 76 . 1 1 16 16 VAL H H 1 8.118 0.03 . 1 . . . . . . . . 5744 1 77 . 1 1 16 16 VAL CA C 13 67.106 0.12 . 1 . . . . . . . . 5744 1 78 . 1 1 16 16 VAL HA H 1 3.642 0.03 . 1 . . . . . . . . 5744 1 79 . 1 1 16 16 VAL CB C 13 32.169 0.12 . 1 . . . . . . . . 5744 1 80 . 1 1 17 17 ALA N N 15 121.520 0.15 . 1 . . . . . . . . 5744 1 81 . 1 1 17 17 ALA H H 1 7.921 0.03 . 1 . . . . . . . . 5744 1 82 . 1 1 17 17 ALA CA C 13 55.192 0.12 . 1 . . . . . . . . 5744 1 83 . 1 1 17 17 ALA HA H 1 4.243 0.03 . 1 . . . . . . . . 5744 1 84 . 1 1 17 17 ALA CB C 13 18.791 0.12 . 1 . . . . . . . . 5744 1 85 . 1 1 18 18 ALA N N 15 121.058 0.15 . 1 . . . . . . . . 5744 1 86 . 1 1 18 18 ALA H H 1 8.166 0.03 . 1 . . . . . . . . 5744 1 87 . 1 1 18 18 ALA CA C 13 55.135 0.12 . 1 . . . . . . . . 5744 1 88 . 1 1 18 18 ALA HA H 1 4.173 0.03 . 1 . . . . . . . . 5744 1 89 . 1 1 18 18 ALA CB C 13 19.000 0.12 . 1 . . . . . . . . 5744 1 90 . 1 1 19 19 ALA N N 15 122.816 0.15 . 1 . . . . . . . . 5744 1 91 . 1 1 19 19 ALA H H 1 8.635 0.03 . 1 . . . . . . . . 5744 1 92 . 1 1 19 19 ALA CA C 13 55.691 0.12 . 1 . . . . . . . . 5744 1 93 . 1 1 19 19 ALA HA H 1 4.038 0.03 . 1 . . . . . . . . 5744 1 94 . 1 1 19 19 ALA CB C 13 18.869 0.12 . 1 . . . . . . . . 5744 1 95 . 1 1 20 20 GLU N N 15 118.058 0.15 . 1 . . . . . . . . 5744 1 96 . 1 1 20 20 GLU H H 1 8.238 0.03 . 1 . . . . . . . . 5744 1 97 . 1 1 20 20 GLU CA C 13 59.640 0.12 . 1 . . . . . . . . 5744 1 98 . 1 1 20 20 GLU HA H 1 4.046 0.03 . 1 . . . . . . . . 5744 1 99 . 1 1 20 20 GLU CB C 13 29.948 0.12 . 1 . . . . . . . . 5744 1 100 . 1 1 21 21 LYS N N 15 118.689 0.15 . 1 . . . . . . . . 5744 1 101 . 1 1 21 21 LYS H H 1 7.979 0.03 . 1 . . . . . . . . 5744 1 102 . 1 1 21 21 LYS CA C 13 59.011 0.12 . 1 . . . . . . . . 5744 1 103 . 1 1 21 21 LYS HA H 1 4.165 0.03 . 1 . . . . . . . . 5744 1 104 . 1 1 21 21 LYS CB C 13 33.102 0.12 . 1 . . . . . . . . 5744 1 105 . 1 1 22 22 THR N N 15 115.124 0.15 . 1 . . . . . . . . 5744 1 106 . 1 1 22 22 THR H H 1 8.093 0.03 . 1 . . . . . . . . 5744 1 107 . 1 1 22 22 THR CA C 13 66.080 0.12 . 1 . . . . . . . . 5744 1 108 . 1 1 22 22 THR HA H 1 4.050 0.03 . 1 . . . . . . . . 5744 1 109 . 1 1 22 22 THR CB C 13 69.224 0.12 . 1 . . . . . . . . 5744 1 110 . 1 1 23 23 LYS N N 15 121.147 0.15 . 1 . . . . . . . . 5744 1 111 . 1 1 23 23 LYS H H 1 8.302 0.03 . 1 . . . . . . . . 5744 1 112 . 1 1 23 23 LYS CA C 13 60.216 0.12 . 1 . . . . . . . . 5744 1 113 . 1 1 23 23 LYS HA H 1 3.940 0.03 . 1 . . . . . . . . 5744 1 114 . 1 1 23 23 LYS CB C 13 32.592 0.12 . 1 . . . . . . . . 5744 1 115 . 1 1 24 24 GLN N N 15 117.334 0.15 . 1 . . . . . . . . 5744 1 116 . 1 1 24 24 GLN H H 1 7.985 0.03 . 1 . . . . . . . . 5744 1 117 . 1 1 24 24 GLN CA C 13 58.384 0.12 . 1 . . . . . . . . 5744 1 118 . 1 1 24 24 GLN HA H 1 4.158 0.03 . 1 . . . . . . . . 5744 1 119 . 1 1 24 24 GLN CB C 13 28.879 0.12 . 1 . . . . . . . . 5744 1 120 . 1 1 25 25 GLY N N 15 108.330 0.15 . 1 . . . . . . . . 5744 1 121 . 1 1 25 25 GLY H H 1 8.219 0.03 . 1 . . . . . . . . 5744 1 122 . 1 1 25 25 GLY CA C 13 46.984 0.12 . 1 . . . . . . . . 5744 1 123 . 1 1 25 25 GLY HA2 H 1 3.900 0.03 . 2 . . . . . . . . 5744 1 124 . 1 1 25 25 GLY HA3 H 1 3.980 0.03 . 2 . . . . . . . . 5744 1 125 . 1 1 26 26 VAL N N 15 121.075 0.15 . 1 . . . . . . . . 5744 1 126 . 1 1 26 26 VAL H H 1 8.303 0.03 . 1 . . . . . . . . 5744 1 127 . 1 1 26 26 VAL CA C 13 66.023 0.12 . 1 . . . . . . . . 5744 1 128 . 1 1 26 26 VAL HA H 1 3.790 0.03 . 1 . . . . . . . . 5744 1 129 . 1 1 26 26 VAL CB C 13 32.158 0.12 . 1 . . . . . . . . 5744 1 130 . 1 1 27 27 ALA N N 15 122.230 0.15 . 1 . . . . . . . . 5744 1 131 . 1 1 27 27 ALA H H 1 8.081 0.03 . 1 . . . . . . . . 5744 1 132 . 1 1 27 27 ALA CA C 13 55.185 0.12 . 1 . . . . . . . . 5744 1 133 . 1 1 27 27 ALA HA H 1 4.121 0.03 . 1 . . . . . . . . 5744 1 134 . 1 1 27 27 ALA CB C 13 18.710 0.12 . 1 . . . . . . . . 5744 1 135 . 1 1 28 28 GLU N N 15 117.705 0.15 . 1 . . . . . . . . 5744 1 136 . 1 1 28 28 GLU H H 1 8.105 0.03 . 1 . . . . . . . . 5744 1 137 . 1 1 28 28 GLU CA C 13 58.509 0.12 . 1 . . . . . . . . 5744 1 138 . 1 1 28 28 GLU HA H 1 4.150 0.03 . 1 . . . . . . . . 5744 1 139 . 1 1 28 28 GLU CB C 13 29.985 0.12 . 1 . . . . . . . . 5744 1 140 . 1 1 29 29 ALA N N 15 122.682 0.15 . 1 . . . . . . . . 5744 1 141 . 1 1 29 29 ALA H H 1 7.987 0.03 . 1 . . . . . . . . 5744 1 142 . 1 1 29 29 ALA CA C 13 54.551 0.12 . 1 . . . . . . . . 5744 1 143 . 1 1 29 29 ALA HA H 1 4.173 0.03 . 1 . . . . . . . . 5744 1 144 . 1 1 29 29 ALA CB C 13 19.167 0.12 . 1 . . . . . . . . 5744 1 145 . 1 1 30 30 ALA N N 15 120.970 0.15 . 1 . . . . . . . . 5744 1 146 . 1 1 30 30 ALA H H 1 8.420 0.03 . 1 . . . . . . . . 5744 1 147 . 1 1 30 30 ALA CA C 13 54.644 0.12 . 1 . . . . . . . . 5744 1 148 . 1 1 30 30 ALA HA H 1 4.150 0.03 . 1 . . . . . . . . 5744 1 149 . 1 1 30 30 ALA CB C 13 19.081 0.12 . 1 . . . . . . . . 5744 1 150 . 1 1 31 31 GLY N N 15 106.057 0.15 . 1 . . . . . . . . 5744 1 151 . 1 1 31 31 GLY H H 1 8.152 0.03 . 1 . . . . . . . . 5744 1 152 . 1 1 31 31 GLY CA C 13 46.701 0.12 . 1 . . . . . . . . 5744 1 153 . 1 1 31 31 GLY HA2 H 1 3.971 0.03 . 2 . . . . . . . . 5744 1 154 . 1 1 31 31 GLY HA3 H 1 4.150 0.03 . 2 . . . . . . . . 5744 1 155 . 1 1 32 32 LYS N N 15 120.244 0.15 . 1 . . . . . . . . 5744 1 156 . 1 1 32 32 LYS H H 1 7.908 0.03 . 1 . . . . . . . . 5744 1 157 . 1 1 32 32 LYS CA C 13 57.477 0.12 . 1 . . . . . . . . 5744 1 158 . 1 1 32 32 LYS HA H 1 4.190 0.03 . 1 . . . . . . . . 5744 1 159 . 1 1 32 32 LYS CB C 13 33.233 0.12 . 1 . . . . . . . . 5744 1 160 . 1 1 33 33 THR N N 15 113.839 0.15 . 1 . . . . . . . . 5744 1 161 . 1 1 33 33 THR H H 1 8.006 0.03 . 1 . . . . . . . . 5744 1 162 . 1 1 33 33 THR CA C 13 64.253 0.12 . 1 . . . . . . . . 5744 1 163 . 1 1 33 33 THR HA H 1 4.250 0.03 . 1 . . . . . . . . 5744 1 164 . 1 1 33 33 THR CB C 13 69.670 0.12 . 1 . . . . . . . . 5744 1 165 . 1 1 34 34 LYS N N 15 121.632 0.15 . 1 . . . . . . . . 5744 1 166 . 1 1 34 34 LYS H H 1 8.180 0.03 . 1 . . . . . . . . 5744 1 167 . 1 1 34 34 LYS CA C 13 58.799 0.12 . 1 . . . . . . . . 5744 1 168 . 1 1 34 34 LYS HA H 1 4.100 0.03 . 1 . . . . . . . . 5744 1 169 . 1 1 34 34 LYS CB C 13 32.850 0.12 . 1 . . . . . . . . 5744 1 170 . 1 1 35 35 GLU N N 15 118.292 0.15 . 1 . . . . . . . . 5744 1 171 . 1 1 35 35 GLU H H 1 8.136 0.03 . 1 . . . . . . . . 5744 1 172 . 1 1 35 35 GLU CA C 13 58.448 0.12 . 1 . . . . . . . . 5744 1 173 . 1 1 35 35 GLU HA H 1 4.098 0.03 . 1 . . . . . . . . 5744 1 174 . 1 1 35 35 GLU CB C 13 30.288 0.12 . 1 . . . . . . . . 5744 1 175 . 1 1 36 36 GLY N N 15 108.737 0.15 . 1 . . . . . . . . 5744 1 176 . 1 1 36 36 GLY H H 1 8.190 0.03 . 1 . . . . . . . . 5744 1 177 . 1 1 36 36 GLY CA C 13 46.604 0.12 . 1 . . . . . . . . 5744 1 178 . 1 1 36 36 GLY HA2 H 1 3.960 0.03 . 2 . . . . . . . . 5744 1 179 . 1 1 36 36 GLY HA3 H 1 3.920 0.03 . 2 . . . . . . . . 5744 1 180 . 1 1 37 37 VAL N N 15 119.424 0.15 . 1 . . . . . . . . 5744 1 181 . 1 1 37 37 VAL H H 1 7.974 0.03 . 1 . . . . . . . . 5744 1 182 . 1 1 37 37 VAL CA C 13 64.376 0.12 . 1 . . . . . . . . 5744 1 183 . 1 1 37 37 VAL HA H 1 3.970 0.03 . 1 . . . . . . . . 5744 1 184 . 1 1 37 37 VAL CB C 13 32.678 0.12 . 1 . . . . . . . . 5744 1 185 . 1 1 38 38 LEU N N 15 122.030 0.15 . 1 . . . . . . . . 5744 1 186 . 1 1 38 38 LEU H H 1 8.099 0.03 . 1 . . . . . . . . 5744 1 187 . 1 1 38 38 LEU CA C 13 56.833 0.12 . 1 . . . . . . . . 5744 1 188 . 1 1 38 38 LEU HA H 1 4.170 0.03 . 1 . . . . . . . . 5744 1 189 . 1 1 38 38 LEU CB C 13 42.585 0.12 . 1 . . . . . . . . 5744 1 190 . 1 1 39 39 TYR N N 15 120.190 0.15 . 1 . . . . . . . . 5744 1 191 . 1 1 39 39 TYR H H 1 8.033 0.03 . 1 . . . . . . . . 5744 1 192 . 1 1 39 39 TYR CA C 13 59.553 0.12 . 1 . . . . . . . . 5744 1 193 . 1 1 39 39 TYR HA H 1 4.520 0.03 . 1 . . . . . . . . 5744 1 194 . 1 1 39 39 TYR CB C 13 39.169 0.12 . 1 . . . . . . . . 5744 1 195 . 1 1 40 40 VAL N N 15 120.130 0.15 . 1 . . . . . . . . 5744 1 196 . 1 1 40 40 VAL H H 1 8.089 0.03 . 1 . . . . . . . . 5744 1 197 . 1 1 40 40 VAL CA C 13 64.100 0.12 . 1 . . . . . . . . 5744 1 198 . 1 1 40 40 VAL HA H 1 3.895 0.03 . 1 . . . . . . . . 5744 1 199 . 1 1 40 40 VAL CB C 13 33.446 0.12 . 1 . . . . . . . . 5744 1 200 . 1 1 41 41 GLY N N 15 109.323 0.15 . 1 . . . . . . . . 5744 1 201 . 1 1 41 41 GLY H H 1 7.829 0.03 . 1 . . . . . . . . 5744 1 202 . 1 1 41 41 GLY CA C 13 46.779 0.12 . 1 . . . . . . . . 5744 1 203 . 1 1 41 41 GLY HA2 H 1 3.874 0.03 . 1 . . . . . . . . 5744 1 204 . 1 1 41 41 GLY HA3 H 1 3.874 0.03 . 1 . . . . . . . . 5744 1 205 . 1 1 42 42 SER N N 15 115.334 0.15 . 1 . . . . . . . . 5744 1 206 . 1 1 42 42 SER H H 1 8.217 0.03 . 1 . . . . . . . . 5744 1 207 . 1 1 42 42 SER CA C 13 60.020 0.12 . 1 . . . . . . . . 5744 1 208 . 1 1 42 42 SER HA H 1 4.370 0.03 . 1 . . . . . . . . 5744 1 209 . 1 1 42 42 SER CB C 13 63.892 0.12 . 1 . . . . . . . . 5744 1 210 . 1 1 43 43 LYS N N 15 121.835 0.15 . 1 . . . . . . . . 5744 1 211 . 1 1 43 43 LYS H H 1 7.948 0.03 . 1 . . . . . . . . 5744 1 212 . 1 1 43 43 LYS CA C 13 56.934 0.12 . 1 . . . . . . . . 5744 1 213 . 1 1 43 43 LYS HA H 1 4.380 0.03 . 1 . . . . . . . . 5744 1 214 . 1 1 43 43 LYS CB C 13 33.105 0.12 . 1 . . . . . . . . 5744 1 215 . 1 1 44 44 THR N N 15 111.419 0.15 . 1 . . . . . . . . 5744 1 216 . 1 1 44 44 THR H H 1 7.971 0.03 . 1 . . . . . . . . 5744 1 217 . 1 1 44 44 THR CA C 13 62.208 0.12 . 1 . . . . . . . . 5744 1 218 . 1 1 44 44 THR HA H 1 4.442 0.03 . 1 . . . . . . . . 5744 1 219 . 1 1 44 44 THR CB C 13 71.163 0.12 . 1 . . . . . . . . 5744 1 220 . 1 1 45 45 LYS N N 15 121.690 0.15 . 1 . . . . . . . . 5744 1 221 . 1 1 45 45 LYS H H 1 8.383 0.03 . 1 . . . . . . . . 5744 1 222 . 1 1 45 45 LYS CA C 13 60.360 0.12 . 1 . . . . . . . . 5744 1 223 . 1 1 45 45 LYS HA H 1 4.470 0.03 . 1 . . . . . . . . 5744 1 224 . 1 1 45 45 LYS CB C 13 32.564 0.12 . 1 . . . . . . . . 5744 1 225 . 1 1 46 46 GLU N N 15 117.200 0.15 . 1 . . . . . . . . 5744 1 226 . 1 1 46 46 GLU H H 1 8.425 0.03 . 1 . . . . . . . . 5744 1 227 . 1 1 46 46 GLU CA C 13 59.558 0.12 . 1 . . . . . . . . 5744 1 228 . 1 1 46 46 GLU HA H 1 4.008 0.03 . 1 . . . . . . . . 5744 1 229 . 1 1 46 46 GLU CB C 13 30.054 0.12 . 1 . . . . . . . . 5744 1 230 . 1 1 47 47 GLY N N 15 108.330 0.15 . 1 . . . . . . . . 5744 1 231 . 1 1 47 47 GLY H H 1 8.172 0.03 . 1 . . . . . . . . 5744 1 232 . 1 1 47 47 GLY CA C 13 46.877 0.12 . 1 . . . . . . . . 5744 1 233 . 1 1 47 47 GLY HA2 H 1 3.900 0.03 . 2 . . . . . . . . 5744 1 234 . 1 1 47 47 GLY HA3 H 1 4.040 0.03 . 2 . . . . . . . . 5744 1 235 . 1 1 48 48 VAL N N 15 122.364 0.15 . 1 . . . . . . . . 5744 1 236 . 1 1 48 48 VAL H H 1 8.224 0.03 . 1 . . . . . . . . 5744 1 237 . 1 1 48 48 VAL CA C 13 66.600 0.12 . 1 . . . . . . . . 5744 1 238 . 1 1 48 48 VAL HA H 1 3.834 0.03 . 1 . . . . . . . . 5744 1 239 . 1 1 48 48 VAL CB C 13 32.200 0.12 . 1 . . . . . . . . 5744 1 240 . 1 1 49 49 VAL N N 15 119.217 0.15 . 1 . . . . . . . . 5744 1 241 . 1 1 49 49 VAL H H 1 8.301 0.03 . 1 . . . . . . . . 5744 1 242 . 1 1 49 49 VAL CA C 13 67.256 0.12 . 1 . . . . . . . . 5744 1 243 . 1 1 49 49 VAL HA H 1 3.590 0.03 . 1 . . . . . . . . 5744 1 244 . 1 1 49 49 VAL CB C 13 31.989 0.12 . 1 . . . . . . . . 5744 1 245 . 1 1 50 50 HIS N N 15 117.375 0.15 . 1 . . . . . . . . 5744 1 246 . 1 1 50 50 HIS H H 1 8.149 0.03 . 1 . . . . . . . . 5744 1 247 . 1 1 50 50 HIS CA C 13 59.140 0.12 . 1 . . . . . . . . 5744 1 248 . 1 1 50 50 HIS HA H 1 4.487 0.03 . 1 . . . . . . . . 5744 1 249 . 1 1 50 50 HIS CB C 13 29.540 0.12 . 1 . . . . . . . . 5744 1 250 . 1 1 51 51 GLY N N 15 109.630 0.15 . 1 . . . . . . . . 5744 1 251 . 1 1 51 51 GLY H H 1 8.445 0.03 . 1 . . . . . . . . 5744 1 252 . 1 1 51 51 GLY CA C 13 47.506 0.12 . 1 . . . . . . . . 5744 1 253 . 1 1 51 51 GLY HA2 H 1 3.841 0.03 . 1 . . . . . . . . 5744 1 254 . 1 1 51 51 GLY HA3 H 1 3.841 0.03 . 1 . . . . . . . . 5744 1 255 . 1 1 52 52 VAL N N 15 121.430 0.15 . 1 . . . . . . . . 5744 1 256 . 1 1 52 52 VAL H H 1 8.550 0.03 . 1 . . . . . . . . 5744 1 257 . 1 1 52 52 VAL CA C 13 66.872 0.12 . 1 . . . . . . . . 5744 1 258 . 1 1 52 52 VAL HA H 1 3.622 0.03 . 1 . . . . . . . . 5744 1 259 . 1 1 52 52 VAL CB C 13 32.300 0.12 . 1 . . . . . . . . 5744 1 260 . 1 1 53 53 ALA N N 15 121.500 0.15 . 1 . . . . . . . . 5744 1 261 . 1 1 53 53 ALA H H 1 8.234 0.03 . 1 . . . . . . . . 5744 1 262 . 1 1 53 53 ALA CA C 13 55.730 0.12 . 1 . . . . . . . . 5744 1 263 . 1 1 53 53 ALA HA H 1 4.090 0.03 . 1 . . . . . . . . 5744 1 264 . 1 1 53 53 ALA CB C 13 18.654 0.12 . 1 . . . . . . . . 5744 1 265 . 1 1 54 54 THR N N 15 114.397 0.15 . 1 . . . . . . . . 5744 1 266 . 1 1 54 54 THR H H 1 7.978 0.03 . 1 . . . . . . . . 5744 1 267 . 1 1 54 54 THR CA C 13 66.442 0.12 . 1 . . . . . . . . 5744 1 268 . 1 1 54 54 THR HA H 1 4.000 0.03 . 1 . . . . . . . . 5744 1 269 . 1 1 54 54 THR CB C 13 69.200 0.12 . 1 . . . . . . . . 5744 1 270 . 1 1 55 55 VAL N N 15 121.711 0.15 . 1 . . . . . . . . 5744 1 271 . 1 1 55 55 VAL H H 1 7.982 0.03 . 1 . . . . . . . . 5744 1 272 . 1 1 55 55 VAL CA C 13 66.583 0.12 . 1 . . . . . . . . 5744 1 273 . 1 1 55 55 VAL HA H 1 3.730 0.03 . 1 . . . . . . . . 5744 1 274 . 1 1 55 55 VAL CB C 13 32.073 0.12 . 1 . . . . . . . . 5744 1 275 . 1 1 56 56 ALA N N 15 125.057 0.15 . 1 . . . . . . . . 5744 1 276 . 1 1 56 56 ALA H H 1 8.829 0.03 . 1 . . . . . . . . 5744 1 277 . 1 1 56 56 ALA CA C 13 55.989 0.12 . 1 . . . . . . . . 5744 1 278 . 1 1 56 56 ALA HA H 1 4.000 0.03 . 1 . . . . . . . . 5744 1 279 . 1 1 56 56 ALA CB C 13 18.808 0.12 . 1 . . . . . . . . 5744 1 280 . 1 1 57 57 GLU N N 15 117.607 0.15 . 1 . . . . . . . . 5744 1 281 . 1 1 57 57 GLU H H 1 8.063 0.03 . 1 . . . . . . . . 5744 1 282 . 1 1 57 57 GLU CA C 13 59.801 0.12 . 1 . . . . . . . . 5744 1 283 . 1 1 57 57 GLU HA H 1 4.010 0.03 . 1 . . . . . . . . 5744 1 284 . 1 1 57 57 GLU CB C 13 30.042 0.12 . 1 . . . . . . . . 5744 1 285 . 1 1 58 58 LYS N N 15 118.689 0.15 . 1 . . . . . . . . 5744 1 286 . 1 1 58 58 LYS H H 1 7.979 0.03 . 1 . . . . . . . . 5744 1 287 . 1 1 58 58 LYS CA C 13 58.800 0.12 . 1 . . . . . . . . 5744 1 288 . 1 1 58 58 LYS HA H 1 4.200 0.03 . 1 . . . . . . . . 5744 1 289 . 1 1 58 58 LYS CB C 13 33.102 0.12 . 1 . . . . . . . . 5744 1 290 . 1 1 59 59 THR N N 15 114.869 0.15 . 1 . . . . . . . . 5744 1 291 . 1 1 59 59 THR H H 1 8.212 0.03 . 1 . . . . . . . . 5744 1 292 . 1 1 59 59 THR CA C 13 66.703 0.12 . 1 . . . . . . . . 5744 1 293 . 1 1 59 59 THR HA H 1 4.020 0.03 . 1 . . . . . . . . 5744 1 294 . 1 1 59 59 THR CB C 13 69.041 0.12 . 1 . . . . . . . . 5744 1 295 . 1 1 60 60 LYS N N 15 121.058 0.15 . 1 . . . . . . . . 5744 1 296 . 1 1 60 60 LYS H H 1 8.166 0.03 . 1 . . . . . . . . 5744 1 297 . 1 1 60 60 LYS CA C 13 60.413 0.12 . 1 . . . . . . . . 5744 1 298 . 1 1 60 60 LYS HA H 1 3.900 0.03 . 1 . . . . . . . . 5744 1 299 . 1 1 60 60 LYS CB C 13 32.745 0.12 . 1 . . . . . . . . 5744 1 300 . 1 1 61 61 GLU N N 15 118.117 0.15 . 1 . . . . . . . . 5744 1 301 . 1 1 61 61 GLU H H 1 7.930 0.03 . 1 . . . . . . . . 5744 1 302 . 1 1 61 61 GLU CA C 13 59.197 0.12 . 1 . . . . . . . . 5744 1 303 . 1 1 61 61 GLU HA H 1 4.053 0.03 . 1 . . . . . . . . 5744 1 304 . 1 1 61 61 GLU CB C 13 30.069 0.12 . 1 . . . . . . . . 5744 1 305 . 1 1 62 62 GLN N N 15 117.334 0.15 . 1 . . . . . . . . 5744 1 306 . 1 1 62 62 GLN H H 1 7.944 0.03 . 1 . . . . . . . . 5744 1 307 . 1 1 62 62 GLN CA C 13 58.220 0.12 . 1 . . . . . . . . 5744 1 308 . 1 1 62 62 GLN HA H 1 4.330 0.03 . 1 . . . . . . . . 5744 1 309 . 1 1 62 62 GLN CB C 13 29.416 0.12 . 1 . . . . . . . . 5744 1 310 . 1 1 63 63 VAL N N 15 118.058 0.15 . 1 . . . . . . . . 5744 1 311 . 1 1 63 63 VAL H H 1 8.238 0.03 . 1 . . . . . . . . 5744 1 312 . 1 1 63 63 VAL CA C 13 65.770 0.12 . 1 . . . . . . . . 5744 1 313 . 1 1 63 63 VAL HA H 1 3.850 0.03 . 1 . . . . . . . . 5744 1 314 . 1 1 63 63 VAL CB C 13 32.102 0.12 . 1 . . . . . . . . 5744 1 315 . 1 1 64 64 THR N N 15 113.268 0.15 . 1 . . . . . . . . 5744 1 316 . 1 1 64 64 THR H H 1 7.983 0.03 . 1 . . . . . . . . 5744 1 317 . 1 1 64 64 THR CA C 13 64.586 0.12 . 1 . . . . . . . . 5744 1 318 . 1 1 64 64 THR HA H 1 4.150 0.03 . 1 . . . . . . . . 5744 1 319 . 1 1 64 64 THR CB C 13 69.493 0.12 . 1 . . . . . . . . 5744 1 320 . 1 1 65 65 ASN N N 15 120.240 0.15 . 1 . . . . . . . . 5744 1 321 . 1 1 65 65 ASN H H 1 8.054 0.03 . 1 . . . . . . . . 5744 1 322 . 1 1 65 65 ASN CA C 13 55.167 0.12 . 1 . . . . . . . . 5744 1 323 . 1 1 65 65 ASN HA H 1 4.710 0.03 . 1 . . . . . . . . 5744 1 324 . 1 1 65 65 ASN CB C 13 39.249 0.12 . 1 . . . . . . . . 5744 1 325 . 1 1 66 66 VAL N N 15 118.293 0.15 . 1 . . . . . . . . 5744 1 326 . 1 1 66 66 VAL H H 1 8.075 0.03 . 1 . . . . . . . . 5744 1 327 . 1 1 66 66 VAL CA C 13 64.369 0.12 . 1 . . . . . . . . 5744 1 328 . 1 1 66 66 VAL HA H 1 4.091 0.03 . 1 . . . . . . . . 5744 1 329 . 1 1 66 66 VAL CB C 13 32.703 0.12 . 1 . . . . . . . . 5744 1 330 . 1 1 67 67 GLY N N 15 108.745 0.15 . 1 . . . . . . . . 5744 1 331 . 1 1 67 67 GLY H H 1 8.397 0.03 . 1 . . . . . . . . 5744 1 332 . 1 1 67 67 GLY CA C 13 47.542 0.12 . 1 . . . . . . . . 5744 1 333 . 1 1 67 67 GLY HA2 H 1 3.790 0.03 . 2 . . . . . . . . 5744 1 334 . 1 1 67 67 GLY HA3 H 1 3.950 0.03 . 2 . . . . . . . . 5744 1 335 . 1 1 68 68 GLY N N 15 107.905 0.15 . 1 . . . . . . . . 5744 1 336 . 1 1 68 68 GLY H H 1 8.255 0.03 . 1 . . . . . . . . 5744 1 337 . 1 1 68 68 GLY CA C 13 47.375 0.12 . 1 . . . . . . . . 5744 1 338 . 1 1 68 68 GLY HA2 H 1 3.900 0.03 . 2 . . . . . . . . 5744 1 339 . 1 1 68 68 GLY HA3 H 1 3.940 0.03 . 2 . . . . . . . . 5744 1 340 . 1 1 69 69 ALA N N 15 124.667 0.15 . 1 . . . . . . . . 5744 1 341 . 1 1 69 69 ALA H H 1 8.021 0.03 . 1 . . . . . . . . 5744 1 342 . 1 1 69 69 ALA CA C 13 55.081 0.12 . 1 . . . . . . . . 5744 1 343 . 1 1 69 69 ALA HA H 1 4.008 0.03 . 1 . . . . . . . . 5744 1 344 . 1 1 69 69 ALA CB C 13 19.038 0.12 . 1 . . . . . . . . 5744 1 345 . 1 1 70 70 VAL N N 15 118.501 0.15 . 1 . . . . . . . . 5744 1 346 . 1 1 70 70 VAL H H 1 8.124 0.03 . 1 . . . . . . . . 5744 1 347 . 1 1 70 70 VAL CA C 13 66.754 0.12 . 1 . . . . . . . . 5744 1 348 . 1 1 70 70 VAL HA H 1 3.740 0.03 . 1 . . . . . . . . 5744 1 349 . 1 1 70 70 VAL CB C 13 32.081 0.12 . 1 . . . . . . . . 5744 1 350 . 1 1 71 71 VAL N N 15 119.063 0.15 . 1 . . . . . . . . 5744 1 351 . 1 1 71 71 VAL H H 1 8.097 0.03 . 1 . . . . . . . . 5744 1 352 . 1 1 71 71 VAL CA C 13 67.472 0.12 . 1 . . . . . . . . 5744 1 353 . 1 1 71 71 VAL HA H 1 3.590 0.03 . 1 . . . . . . . . 5744 1 354 . 1 1 71 71 VAL CB C 13 32.224 0.12 . 1 . . . . . . . . 5744 1 355 . 1 1 72 72 THR N N 15 117.150 0.15 . 1 . . . . . . . . 5744 1 356 . 1 1 72 72 THR H H 1 8.277 0.03 . 1 . . . . . . . . 5744 1 357 . 1 1 72 72 THR CA C 13 66.657 0.12 . 1 . . . . . . . . 5744 1 358 . 1 1 72 72 THR HA H 1 3.950 0.03 . 1 . . . . . . . . 5744 1 359 . 1 1 72 72 THR CB C 13 68.966 0.12 . 1 . . . . . . . . 5744 1 360 . 1 1 73 73 GLY N N 15 110.430 0.15 . 1 . . . . . . . . 5744 1 361 . 1 1 73 73 GLY H H 1 8.312 0.03 . 1 . . . . . . . . 5744 1 362 . 1 1 73 73 GLY CA C 13 47.794 0.12 . 1 . . . . . . . . 5744 1 363 . 1 1 73 73 GLY HA2 H 1 3.760 0.03 . 2 . . . . . . . . 5744 1 364 . 1 1 73 73 GLY HA3 H 1 3.980 0.03 . 2 . . . . . . . . 5744 1 365 . 1 1 74 74 VAL N N 15 120.534 0.15 . 1 . . . . . . . . 5744 1 366 . 1 1 74 74 VAL H H 1 8.717 0.03 . 1 . . . . . . . . 5744 1 367 . 1 1 74 74 VAL CA C 13 66.868 0.12 . 1 . . . . . . . . 5744 1 368 . 1 1 74 74 VAL HA H 1 3.714 0.03 . 1 . . . . . . . . 5744 1 369 . 1 1 74 74 VAL CB C 13 31.960 0.12 . 1 . . . . . . . . 5744 1 370 . 1 1 75 75 THR N N 15 114.078 0.15 . 1 . . . . . . . . 5744 1 371 . 1 1 75 75 THR H H 1 8.163 0.03 . 1 . . . . . . . . 5744 1 372 . 1 1 75 75 THR CA C 13 67.012 0.12 . 1 . . . . . . . . 5744 1 373 . 1 1 75 75 THR HA H 1 3.890 0.03 . 1 . . . . . . . . 5744 1 374 . 1 1 75 75 THR CB C 13 69.045 0.12 . 1 . . . . . . . . 5744 1 375 . 1 1 76 76 ALA N N 15 123.429 0.15 . 1 . . . . . . . . 5744 1 376 . 1 1 76 76 ALA H H 1 7.817 0.03 . 1 . . . . . . . . 5744 1 377 . 1 1 76 76 ALA CA C 13 55.578 0.12 . 1 . . . . . . . . 5744 1 378 . 1 1 76 76 ALA HA H 1 4.240 0.03 . 1 . . . . . . . . 5744 1 379 . 1 1 76 76 ALA CB C 13 18.751 0.12 . 1 . . . . . . . . 5744 1 380 . 1 1 77 77 VAL N N 15 117.770 0.15 . 1 . . . . . . . . 5744 1 381 . 1 1 77 77 VAL H H 1 7.904 0.03 . 1 . . . . . . . . 5744 1 382 . 1 1 77 77 VAL CA C 13 66.289 0.12 . 1 . . . . . . . . 5744 1 383 . 1 1 77 77 VAL HA H 1 3.740 0.03 . 1 . . . . . . . . 5744 1 384 . 1 1 77 77 VAL CB C 13 32.390 0.12 . 1 . . . . . . . . 5744 1 385 . 1 1 78 78 ALA N N 15 124.320 0.15 . 1 . . . . . . . . 5744 1 386 . 1 1 78 78 ALA H H 1 8.618 0.03 . 1 . . . . . . . . 5744 1 387 . 1 1 78 78 ALA CA C 13 55.861 0.12 . 1 . . . . . . . . 5744 1 388 . 1 1 78 78 ALA HA H 1 4.038 0.03 . 1 . . . . . . . . 5744 1 389 . 1 1 78 78 ALA CB C 13 18.898 0.12 . 1 . . . . . . . . 5744 1 390 . 1 1 79 79 GLN N N 15 115.635 0.15 . 1 . . . . . . . . 5744 1 391 . 1 1 79 79 GLN H H 1 8.217 0.03 . 1 . . . . . . . . 5744 1 392 . 1 1 79 79 GLN CA C 13 58.791 0.12 . 1 . . . . . . . . 5744 1 393 . 1 1 79 79 GLN HA H 1 4.053 0.03 . 1 . . . . . . . . 5744 1 394 . 1 1 79 79 GLN CB C 13 28.876 0.12 . 1 . . . . . . . . 5744 1 395 . 1 1 80 80 LYS N N 15 118.564 0.15 . 1 . . . . . . . . 5744 1 396 . 1 1 80 80 LYS H H 1 7.873 0.03 . 1 . . . . . . . . 5744 1 397 . 1 1 80 80 LYS CA C 13 58.582 0.12 . 1 . . . . . . . . 5744 1 398 . 1 1 80 80 LYS HA H 1 4.218 0.03 . 1 . . . . . . . . 5744 1 399 . 1 1 80 80 LYS CB C 13 32.912 0.12 . 1 . . . . . . . . 5744 1 400 . 1 1 81 81 THR N N 15 114.945 0.15 . 1 . . . . . . . . 5744 1 401 . 1 1 81 81 THR H H 1 8.077 0.03 . 1 . . . . . . . . 5744 1 402 . 1 1 81 81 THR CA C 13 65.738 0.12 . 1 . . . . . . . . 5744 1 403 . 1 1 81 81 THR HA H 1 4.080 0.03 . 1 . . . . . . . . 5744 1 404 . 1 1 81 81 THR CB C 13 69.224 0.12 . 1 . . . . . . . . 5744 1 405 . 1 1 82 82 VAL N N 15 120.530 0.15 . 1 . . . . . . . . 5744 1 406 . 1 1 82 82 VAL H H 1 8.001 0.03 . 1 . . . . . . . . 5744 1 407 . 1 1 82 82 VAL CA C 13 65.485 0.12 . 1 . . . . . . . . 5744 1 408 . 1 1 82 82 VAL HA H 1 3.850 0.03 . 1 . . . . . . . . 5744 1 409 . 1 1 82 82 VAL CB C 13 32.443 0.12 . 1 . . . . . . . . 5744 1 410 . 1 1 83 83 GLU N N 15 120.815 0.15 . 1 . . . . . . . . 5744 1 411 . 1 1 83 83 GLU H H 1 8.100 0.03 . 1 . . . . . . . . 5744 1 412 . 1 1 83 83 GLU CA C 13 58.527 0.12 . 1 . . . . . . . . 5744 1 413 . 1 1 83 83 GLU HA H 1 4.173 0.03 . 1 . . . . . . . . 5744 1 414 . 1 1 83 83 GLU CB C 13 30.149 0.12 . 1 . . . . . . . . 5744 1 415 . 1 1 84 84 GLY N N 15 108.182 0.15 . 1 . . . . . . . . 5744 1 416 . 1 1 84 84 GLY H H 1 8.191 0.03 . 1 . . . . . . . . 5744 1 417 . 1 1 84 84 GLY CA C 13 46.614 0.12 . 1 . . . . . . . . 5744 1 418 . 1 1 84 84 GLY HA2 H 1 3.900 0.03 . 2 . . . . . . . . 5744 1 419 . 1 1 84 84 GLY HA3 H 1 4.080 0.03 . 2 . . . . . . . . 5744 1 420 . 1 1 85 85 ALA N N 15 123.585 0.15 . 1 . . . . . . . . 5744 1 421 . 1 1 85 85 ALA H H 1 8.291 0.03 . 1 . . . . . . . . 5744 1 422 . 1 1 85 85 ALA CA C 13 54.340 0.12 . 1 . . . . . . . . 5744 1 423 . 1 1 85 85 ALA HA H 1 4.220 0.03 . 1 . . . . . . . . 5744 1 424 . 1 1 85 85 ALA CB C 13 19.224 0.12 . 1 . . . . . . . . 5744 1 425 . 1 1 86 86 GLY N N 15 106.344 0.15 . 1 . . . . . . . . 5744 1 426 . 1 1 86 86 GLY H H 1 8.385 0.03 . 1 . . . . . . . . 5744 1 427 . 1 1 86 86 GLY CA C 13 46.723 0.12 . 1 . . . . . . . . 5744 1 428 . 1 1 86 86 GLY HA2 H 1 3.920 0.03 . 2 . . . . . . . . 5744 1 429 . 1 1 86 86 GLY HA3 H 1 4.080 0.03 . 2 . . . . . . . . 5744 1 430 . 1 1 87 87 SER N N 15 116.093 0.15 . 1 . . . . . . . . 5744 1 431 . 1 1 87 87 SER H H 1 8.023 0.03 . 1 . . . . . . . . 5744 1 432 . 1 1 87 87 SER CA C 13 60.490 0.12 . 1 . . . . . . . . 5744 1 433 . 1 1 87 87 SER HA H 1 4.420 0.03 . 1 . . . . . . . . 5744 1 434 . 1 1 87 87 SER CB C 13 63.823 0.12 . 1 . . . . . . . . 5744 1 435 . 1 1 88 88 ILE N N 15 122.506 0.15 . 1 . . . . . . . . 5744 1 436 . 1 1 88 88 ILE H H 1 8.145 0.03 . 1 . . . . . . . . 5744 1 437 . 1 1 88 88 ILE CA C 13 64.303 0.12 . 1 . . . . . . . . 5744 1 438 . 1 1 88 88 ILE HA H 1 3.900 0.03 . 1 . . . . . . . . 5744 1 439 . 1 1 88 88 ILE CB C 13 37.970 0.12 . 1 . . . . . . . . 5744 1 440 . 1 1 89 89 ALA N N 15 123.698 0.15 . 1 . . . . . . . . 5744 1 441 . 1 1 89 89 ALA H H 1 8.304 0.03 . 1 . . . . . . . . 5744 1 442 . 1 1 89 89 ALA CA C 13 55.200 0.12 . 1 . . . . . . . . 5744 1 443 . 1 1 89 89 ALA HA H 1 4.080 0.03 . 1 . . . . . . . . 5744 1 444 . 1 1 89 89 ALA CB C 13 19.224 0.12 . 1 . . . . . . . . 5744 1 445 . 1 1 90 90 ALA N N 15 119.627 0.15 . 1 . . . . . . . . 5744 1 446 . 1 1 90 90 ALA H H 1 7.987 0.03 . 1 . . . . . . . . 5744 1 447 . 1 1 90 90 ALA CA C 13 54.641 0.12 . 1 . . . . . . . . 5744 1 448 . 1 1 90 90 ALA HA H 1 4.195 0.03 . 1 . . . . . . . . 5744 1 449 . 1 1 90 90 ALA CB C 13 18.744 0.12 . 1 . . . . . . . . 5744 1 450 . 1 1 91 91 ALA N N 15 120.248 0.15 . 1 . . . . . . . . 5744 1 451 . 1 1 91 91 ALA H H 1 7.930 0.03 . 1 . . . . . . . . 5744 1 452 . 1 1 91 91 ALA CA C 13 54.378 0.12 . 1 . . . . . . . . 5744 1 453 . 1 1 91 91 ALA HA H 1 4.230 0.03 . 1 . . . . . . . . 5744 1 454 . 1 1 91 91 ALA CB C 13 19.449 0.12 . 1 . . . . . . . . 5744 1 455 . 1 1 92 92 THR N N 15 107.704 0.15 . 1 . . . . . . . . 5744 1 456 . 1 1 92 92 THR H H 1 7.848 0.03 . 1 . . . . . . . . 5744 1 457 . 1 1 92 92 THR CA C 13 63.667 0.12 . 1 . . . . . . . . 5744 1 458 . 1 1 92 92 THR HA H 1 4.225 0.03 . 1 . . . . . . . . 5744 1 459 . 1 1 92 92 THR CB C 13 70.333 0.12 . 1 . . . . . . . . 5744 1 460 . 1 1 93 93 GLY N N 15 108.897 0.15 . 1 . . . . . . . . 5744 1 461 . 1 1 93 93 GLY H H 1 7.960 0.03 . 1 . . . . . . . . 5744 1 462 . 1 1 93 93 GLY CA C 13 46.322 0.12 . 1 . . . . . . . . 5744 1 463 . 1 1 93 93 GLY HA2 H 1 3.900 0.03 . 2 . . . . . . . . 5744 1 464 . 1 1 93 93 GLY HA3 H 1 3.970 0.03 . 2 . . . . . . . . 5744 1 465 . 1 1 94 94 PHE N N 15 119.862 0.15 . 1 . . . . . . . . 5744 1 466 . 1 1 94 94 PHE H H 1 7.854 0.03 . 1 . . . . . . . . 5744 1 467 . 1 1 94 94 PHE CA C 13 59.470 0.12 . 1 . . . . . . . . 5744 1 468 . 1 1 94 94 PHE HA H 1 4.450 0.03 . 1 . . . . . . . . 5744 1 469 . 1 1 94 94 PHE CB C 13 40.182 0.12 . 1 . . . . . . . . 5744 1 470 . 1 1 95 95 VAL N N 15 119.492 0.15 . 1 . . . . . . . . 5744 1 471 . 1 1 95 95 VAL H H 1 7.535 0.03 . 1 . . . . . . . . 5744 1 472 . 1 1 95 95 VAL CA C 13 62.472 0.12 . 1 . . . . . . . . 5744 1 473 . 1 1 95 95 VAL HA H 1 4.000 0.03 . 1 . . . . . . . . 5744 1 474 . 1 1 95 95 VAL CB C 13 33.430 0.12 . 1 . . . . . . . . 5744 1 475 . 1 1 96 96 LYS N N 15 123.041 0.15 . 1 . . . . . . . . 5744 1 476 . 1 1 96 96 LYS H H 1 8.001 0.03 . 1 . . . . . . . . 5744 1 477 . 1 1 96 96 LYS CA C 13 56.805 0.12 . 1 . . . . . . . . 5744 1 478 . 1 1 96 96 LYS HA H 1 4.210 0.03 . 1 . . . . . . . . 5744 1 479 . 1 1 96 96 LYS CB C 13 33.130 0.12 . 1 . . . . . . . . 5744 1 480 . 1 1 97 97 LYS N N 15 121.696 0.15 . 1 . . . . . . . . 5744 1 481 . 1 1 97 97 LYS H H 1 8.099 0.03 . 1 . . . . . . . . 5744 1 482 . 1 1 97 97 LYS CA C 13 57.339 0.12 . 1 . . . . . . . . 5744 1 483 . 1 1 97 97 LYS HA H 1 4.160 0.03 . 1 . . . . . . . . 5744 1 484 . 1 1 97 97 LYS CB C 13 33.091 0.12 . 1 . . . . . . . . 5744 1 485 . 1 1 98 98 ASP N N 15 119.814 0.15 . 1 . . . . . . . . 5744 1 486 . 1 1 98 98 ASP H H 1 8.290 0.03 . 1 . . . . . . . . 5744 1 487 . 1 1 98 98 ASP CA C 13 55.151 0.12 . 1 . . . . . . . . 5744 1 488 . 1 1 98 98 ASP HA H 1 4.530 0.03 . 1 . . . . . . . . 5744 1 489 . 1 1 98 98 ASP CB C 13 41.233 0.12 . 1 . . . . . . . . 5744 1 490 . 1 1 99 99 GLN N N 15 119.258 0.15 . 1 . . . . . . . . 5744 1 491 . 1 1 99 99 GLN H H 1 8.216 0.03 . 1 . . . . . . . . 5744 1 492 . 1 1 99 99 GLN CA C 13 56.383 0.12 . 1 . . . . . . . . 5744 1 493 . 1 1 99 99 GLN HA H 1 4.296 0.03 . 1 . . . . . . . . 5744 1 494 . 1 1 99 99 GLN CB C 13 29.799 0.12 . 1 . . . . . . . . 5744 1 495 . 1 1 100 100 LEU N N 15 121.503 0.15 . 1 . . . . . . . . 5744 1 496 . 1 1 100 100 LEU H H 1 8.075 0.03 . 1 . . . . . . . . 5744 1 497 . 1 1 100 100 LEU CA C 13 55.977 0.12 . 1 . . . . . . . . 5744 1 498 . 1 1 100 100 LEU HA H 1 4.290 0.03 . 1 . . . . . . . . 5744 1 499 . 1 1 100 100 LEU CB C 13 42.590 0.12 . 1 . . . . . . . . 5744 1 500 . 1 1 101 101 GLY N N 15 109.236 0.15 . 1 . . . . . . . . 5744 1 501 . 1 1 101 101 GLY H H 1 8.345 0.03 . 1 . . . . . . . . 5744 1 502 . 1 1 101 101 GLY CA C 13 45.881 0.12 . 1 . . . . . . . . 5744 1 503 . 1 1 101 101 GLY HA2 H 1 3.930 0.03 . 2 . . . . . . . . 5744 1 504 . 1 1 101 101 GLY HA3 H 1 3.940 0.03 . 2 . . . . . . . . 5744 1 505 . 1 1 102 102 LYS N N 15 120.362 0.15 . 1 . . . . . . . . 5744 1 506 . 1 1 102 102 LYS H H 1 8.077 0.03 . 1 . . . . . . . . 5744 1 507 . 1 1 102 102 LYS CA C 13 56.604 0.12 . 1 . . . . . . . . 5744 1 508 . 1 1 102 102 LYS HA H 1 4.311 0.03 . 1 . . . . . . . . 5744 1 509 . 1 1 102 102 LYS CB C 13 33.398 0.12 . 1 . . . . . . . . 5744 1 510 . 1 1 103 103 ASN N N 15 119.814 0.15 . 1 . . . . . . . . 5744 1 511 . 1 1 103 103 ASN H H 1 8.508 0.03 . 1 . . . . . . . . 5744 1 512 . 1 1 103 103 ASN CA C 13 53.557 0.12 . 1 . . . . . . . . 5744 1 513 . 1 1 103 103 ASN HA H 1 4.740 0.03 . 1 . . . . . . . . 5744 1 514 . 1 1 103 103 ASN CB C 13 39.457 0.12 . 1 . . . . . . . . 5744 1 515 . 1 1 104 104 GLU N N 15 121.840 0.15 . 1 . . . . . . . . 5744 1 516 . 1 1 104 104 GLU H H 1 8.420 0.03 . 1 . . . . . . . . 5744 1 517 . 1 1 104 104 GLU CA C 13 56.947 0.12 . 1 . . . . . . . . 5744 1 518 . 1 1 104 104 GLU HA H 1 4.296 0.03 . 1 . . . . . . . . 5744 1 519 . 1 1 104 104 GLU CB C 13 30.757 0.12 . 1 . . . . . . . . 5744 1 520 . 1 1 105 105 GLU N N 15 122.005 0.15 . 1 . . . . . . . . 5744 1 521 . 1 1 105 105 GLU H H 1 8.449 0.03 . 1 . . . . . . . . 5744 1 522 . 1 1 105 105 GLU CA C 13 57.086 0.12 . 1 . . . . . . . . 5744 1 523 . 1 1 105 105 GLU HA H 1 4.272 0.03 . 1 . . . . . . . . 5744 1 524 . 1 1 105 105 GLU CB C 13 30.757 0.12 . 1 . . . . . . . . 5744 1 525 . 1 1 106 106 GLY N N 15 110.130 0.15 . 1 . . . . . . . . 5744 1 526 . 1 1 106 106 GLY H H 1 8.401 0.03 . 1 . . . . . . . . 5744 1 527 . 1 1 106 106 GLY CA C 13 45.354 0.12 . 1 . . . . . . . . 5744 1 528 . 1 1 106 106 GLY HA2 H 1 3.880 0.03 . 2 . . . . . . . . 5744 1 529 . 1 1 106 106 GLY HA3 H 1 3.960 0.03 . 2 . . . . . . . . 5744 1 530 . 1 1 107 107 ALA N N 15 125.030 0.15 . 1 . . . . . . . . 5744 1 531 . 1 1 107 107 ALA H H 1 8.166 0.03 . 1 . . . . . . . . 5744 1 532 . 1 1 107 107 ALA CA C 13 50.828 0.12 . 1 . . . . . . . . 5744 1 533 . 1 1 107 107 ALA HA H 1 4.590 0.03 . 1 . . . . . . . . 5744 1 534 . 1 1 107 107 ALA CB C 13 18.623 0.12 . 1 . . . . . . . . 5744 1 535 . 1 1 108 108 PRO CA C 13 63.330 0.12 . 1 . . . . . . . . 5744 1 536 . 1 1 108 108 PRO HA H 1 4.420 0.03 . 1 . . . . . . . . 5744 1 537 . 1 1 108 108 PRO CB C 13 32.414 0.12 . 1 . . . . . . . . 5744 1 538 . 1 1 109 109 GLN N N 15 121.155 0.15 . 1 . . . . . . . . 5744 1 539 . 1 1 109 109 GLN H H 1 8.552 0.03 . 1 . . . . . . . . 5744 1 540 . 1 1 109 109 GLN CA C 13 55.912 0.12 . 1 . . . . . . . . 5744 1 541 . 1 1 109 109 GLN HA H 1 4.290 0.03 . 1 . . . . . . . . 5744 1 542 . 1 1 109 109 GLN CB C 13 29.998 0.12 . 1 . . . . . . . . 5744 1 543 . 1 1 110 110 GLU N N 15 122.587 0.15 . 1 . . . . . . . . 5744 1 544 . 1 1 110 110 GLU H H 1 8.487 0.03 . 1 . . . . . . . . 5744 1 545 . 1 1 110 110 GLU CA C 13 57.148 0.12 . 1 . . . . . . . . 5744 1 546 . 1 1 110 110 GLU HA H 1 4.230 0.03 . 1 . . . . . . . . 5744 1 547 . 1 1 110 110 GLU CB C 13 30.833 0.12 . 1 . . . . . . . . 5744 1 548 . 1 1 111 111 GLY N N 15 109.870 0.15 . 1 . . . . . . . . 5744 1 549 . 1 1 111 111 GLY H H 1 8.375 0.03 . 1 . . . . . . . . 5744 1 550 . 1 1 111 111 GLY CA C 13 45.506 0.12 . 1 . . . . . . . . 5744 1 551 . 1 1 111 111 GLY HA2 H 1 3.890 0.03 . 2 . . . . . . . . 5744 1 552 . 1 1 111 111 GLY HA3 H 1 3.960 0.03 . 2 . . . . . . . . 5744 1 553 . 1 1 112 112 ILE N N 15 120.176 0.15 . 1 . . . . . . . . 5744 1 554 . 1 1 112 112 ILE H H 1 7.985 0.03 . 1 . . . . . . . . 5744 1 555 . 1 1 112 112 ILE CA C 13 61.253 0.12 . 1 . . . . . . . . 5744 1 556 . 1 1 112 112 ILE HA H 1 4.150 0.03 . 1 . . . . . . . . 5744 1 557 . 1 1 112 112 ILE CB C 13 39.300 0.12 . 1 . . . . . . . . 5744 1 558 . 1 1 113 113 LEU N N 15 127.104 0.15 . 1 . . . . . . . . 5744 1 559 . 1 1 113 113 LEU H H 1 8.372 0.03 . 1 . . . . . . . . 5744 1 560 . 1 1 113 113 LEU CA C 13 55.263 0.12 . 1 . . . . . . . . 5744 1 561 . 1 1 113 113 LEU HA H 1 4.290 0.03 . 1 . . . . . . . . 5744 1 562 . 1 1 113 113 LEU CB C 13 42.786 0.12 . 1 . . . . . . . . 5744 1 563 . 1 1 114 114 GLU N N 15 122.449 0.15 . 1 . . . . . . . . 5744 1 564 . 1 1 114 114 GLU H H 1 8.395 0.03 . 1 . . . . . . . . 5744 1 565 . 1 1 114 114 GLU CA C 13 56.709 0.12 . 1 . . . . . . . . 5744 1 566 . 1 1 114 114 GLU HA H 1 4.250 0.03 . 1 . . . . . . . . 5744 1 567 . 1 1 114 114 GLU CB C 13 31.079 0.12 . 1 . . . . . . . . 5744 1 568 . 1 1 115 115 ASP N N 15 121.664 0.15 . 1 . . . . . . . . 5744 1 569 . 1 1 115 115 ASP H H 1 8.331 0.03 . 1 . . . . . . . . 5744 1 570 . 1 1 115 115 ASP CA C 13 54.546 0.12 . 1 . . . . . . . . 5744 1 571 . 1 1 115 115 ASP HA H 1 4.560 0.03 . 1 . . . . . . . . 5744 1 572 . 1 1 115 115 ASP CB C 13 41.575 0.12 . 1 . . . . . . . . 5744 1 573 . 1 1 116 116 MET N N 15 122.069 0.15 . 1 . . . . . . . . 5744 1 574 . 1 1 116 116 MET H H 1 8.251 0.03 . 1 . . . . . . . . 5744 1 575 . 1 1 116 116 MET CA C 13 53.516 0.12 . 1 . . . . . . . . 5744 1 576 . 1 1 116 116 MET HA H 1 4.520 0.03 . 1 . . . . . . . . 5744 1 577 . 1 1 116 116 MET CB C 13 32.984 0.12 . 1 . . . . . . . . 5744 1 578 . 1 1 117 117 PRO CA C 13 63.225 0.12 . 1 . . . . . . . . 5744 1 579 . 1 1 117 117 PRO HA H 1 4.440 0.03 . 1 . . . . . . . . 5744 1 580 . 1 1 117 117 PRO CB C 13 32.537 0.12 . 1 . . . . . . . . 5744 1 581 . 1 1 118 118 VAL N N 15 120.611 0.15 . 1 . . . . . . . . 5744 1 582 . 1 1 118 118 VAL H H 1 8.243 0.03 . 1 . . . . . . . . 5744 1 583 . 1 1 118 118 VAL CA C 13 62.119 0.12 . 1 . . . . . . . . 5744 1 584 . 1 1 118 118 VAL HA H 1 4.070 0.03 . 1 . . . . . . . . 5744 1 585 . 1 1 118 118 VAL CB C 13 33.476 0.12 . 1 . . . . . . . . 5744 1 586 . 1 1 119 119 ASP N N 15 125.864 0.15 . 1 . . . . . . . . 5744 1 587 . 1 1 119 119 ASP H H 1 8.468 0.03 . 1 . . . . . . . . 5744 1 588 . 1 1 119 119 ASP CA C 13 52.562 0.12 . 1 . . . . . . . . 5744 1 589 . 1 1 119 119 ASP HA H 1 4.870 0.03 . 1 . . . . . . . . 5744 1 590 . 1 1 119 119 ASP CB C 13 41.448 0.12 . 1 . . . . . . . . 5744 1 591 . 1 1 120 120 PRO CA C 13 63.734 0.12 . 1 . . . . . . . . 5744 1 592 . 1 1 120 120 PRO HA H 1 4.330 0.03 . 1 . . . . . . . . 5744 1 593 . 1 1 120 120 PRO CB C 13 32.581 0.12 . 1 . . . . . . . . 5744 1 594 . 1 1 121 121 ASP N N 15 119.567 0.15 . 1 . . . . . . . . 5744 1 595 . 1 1 121 121 ASP H H 1 8.367 0.03 . 1 . . . . . . . . 5744 1 596 . 1 1 121 121 ASP CA C 13 54.960 0.12 . 1 . . . . . . . . 5744 1 597 . 1 1 121 121 ASP HA H 1 4.590 0.03 . 1 . . . . . . . . 5744 1 598 . 1 1 121 121 ASP CB C 13 41.284 0.12 . 1 . . . . . . . . 5744 1 599 . 1 1 122 122 ASN N N 15 119.090 0.15 . 1 . . . . . . . . 5744 1 600 . 1 1 122 122 ASN H H 1 8.146 0.03 . 1 . . . . . . . . 5744 1 601 . 1 1 122 122 ASN CA C 13 53.815 0.12 . 1 . . . . . . . . 5744 1 602 . 1 1 122 122 ASN HA H 1 4.680 0.03 . 1 . . . . . . . . 5744 1 603 . 1 1 122 122 ASN CB C 13 39.772 0.12 . 1 . . . . . . . . 5744 1 604 . 1 1 123 123 GLU N N 15 121.652 0.15 . 1 . . . . . . . . 5744 1 605 . 1 1 123 123 GLU H H 1 8.344 0.03 . 1 . . . . . . . . 5744 1 606 . 1 1 123 123 GLU CA C 13 57.160 0.12 . 1 . . . . . . . . 5744 1 607 . 1 1 123 123 GLU HA H 1 4.190 0.03 . 1 . . . . . . . . 5744 1 608 . 1 1 123 123 GLU CB C 13 30.556 0.12 . 1 . . . . . . . . 5744 1 609 . 1 1 124 124 ALA N N 15 124.505 0.15 . 1 . . . . . . . . 5744 1 610 . 1 1 124 124 ALA H H 1 8.184 0.03 . 1 . . . . . . . . 5744 1 611 . 1 1 124 124 ALA CA C 13 52.625 0.12 . 1 . . . . . . . . 5744 1 612 . 1 1 124 124 ALA HA H 1 4.290 0.03 . 1 . . . . . . . . 5744 1 613 . 1 1 124 124 ALA CB C 13 19.464 0.12 . 1 . . . . . . . . 5744 1 614 . 1 1 125 125 TYR N N 15 120.190 0.15 . 1 . . . . . . . . 5744 1 615 . 1 1 125 125 TYR H H 1 8.014 0.03 . 1 . . . . . . . . 5744 1 616 . 1 1 125 125 TYR CA C 13 57.920 0.12 . 1 . . . . . . . . 5744 1 617 . 1 1 125 125 TYR HA H 1 4.530 0.03 . 1 . . . . . . . . 5744 1 618 . 1 1 125 125 TYR CB C 13 39.426 0.12 . 1 . . . . . . . . 5744 1 619 . 1 1 126 126 GLU N N 15 123.567 0.15 . 1 . . . . . . . . 5744 1 620 . 1 1 126 126 GLU H H 1 8.148 0.03 . 1 . . . . . . . . 5744 1 621 . 1 1 126 126 GLU CA C 13 56.082 0.12 . 1 . . . . . . . . 5744 1 622 . 1 1 126 126 GLU HA H 1 4.240 0.03 . 1 . . . . . . . . 5744 1 623 . 1 1 126 126 GLU CB C 13 31.142 0.12 . 1 . . . . . . . . 5744 1 624 . 1 1 127 127 MET N N 15 123.801 0.15 . 1 . . . . . . . . 5744 1 625 . 1 1 127 127 MET H H 1 8.391 0.03 . 1 . . . . . . . . 5744 1 626 . 1 1 127 127 MET CA C 13 53.639 0.12 . 1 . . . . . . . . 5744 1 627 . 1 1 127 127 MET HA H 1 4.690 0.03 . 1 . . . . . . . . 5744 1 628 . 1 1 127 127 MET CB C 13 32.857 0.12 . 1 . . . . . . . . 5744 1 629 . 1 1 128 128 PRO CA C 13 63.335 0.12 . 1 . . . . . . . . 5744 1 630 . 1 1 128 128 PRO HA H 1 4.430 0.03 . 1 . . . . . . . . 5744 1 631 . 1 1 128 128 PRO CB C 13 32.572 0.12 . 1 . . . . . . . . 5744 1 632 . 1 1 129 129 SER N N 15 116.679 0.15 . 1 . . . . . . . . 5744 1 633 . 1 1 129 129 SER H H 1 8.451 0.03 . 1 . . . . . . . . 5744 1 634 . 1 1 129 129 SER CA C 13 58.500 0.12 . 1 . . . . . . . . 5744 1 635 . 1 1 129 129 SER HA H 1 4.420 0.03 . 1 . . . . . . . . 5744 1 636 . 1 1 129 129 SER CB C 13 64.245 0.12 . 1 . . . . . . . . 5744 1 637 . 1 1 130 130 GLU N N 15 123.191 0.15 . 1 . . . . . . . . 5744 1 638 . 1 1 130 130 GLU H H 1 8.546 0.03 . 1 . . . . . . . . 5744 1 639 . 1 1 130 130 GLU CA C 13 56.845 0.12 . 1 . . . . . . . . 5744 1 640 . 1 1 130 130 GLU HA H 1 4.290 0.03 . 1 . . . . . . . . 5744 1 641 . 1 1 130 130 GLU CB C 13 30.765 0.12 . 1 . . . . . . . . 5744 1 642 . 1 1 131 131 GLU N N 15 122.587 0.15 . 1 . . . . . . . . 5744 1 643 . 1 1 131 131 GLU H H 1 8.487 0.03 . 1 . . . . . . . . 5744 1 644 . 1 1 131 131 GLU CA C 13 57.015 0.12 . 1 . . . . . . . . 5744 1 645 . 1 1 131 131 GLU HA H 1 4.290 0.03 . 1 . . . . . . . . 5744 1 646 . 1 1 131 131 GLU CB C 13 30.869 0.12 . 1 . . . . . . . . 5744 1 647 . 1 1 132 132 GLY N N 15 110.186 0.15 . 1 . . . . . . . . 5744 1 648 . 1 1 132 132 GLY H H 1 8.449 0.03 . 1 . . . . . . . . 5744 1 649 . 1 1 132 132 GLY CA C 13 45.578 0.12 . 1 . . . . . . . . 5744 1 650 . 1 1 132 132 GLY HA2 H 1 3.930 0.03 . 1 . . . . . . . . 5744 1 651 . 1 1 132 132 GLY HA3 H 1 3.930 0.03 . 1 . . . . . . . . 5744 1 652 . 1 1 133 133 TYR N N 15 120.377 0.15 . 1 . . . . . . . . 5744 1 653 . 1 1 133 133 TYR H H 1 8.032 0.03 . 1 . . . . . . . . 5744 1 654 . 1 1 133 133 TYR CA C 13 58.189 0.12 . 1 . . . . . . . . 5744 1 655 . 1 1 133 133 TYR HA H 1 4.500 0.03 . 1 . . . . . . . . 5744 1 656 . 1 1 133 133 TYR CB C 13 39.292 0.12 . 1 . . . . . . . . 5744 1 657 . 1 1 134 134 GLN N N 15 122.643 0.15 . 1 . . . . . . . . 5744 1 658 . 1 1 134 134 GLN H H 1 8.197 0.03 . 1 . . . . . . . . 5744 1 659 . 1 1 134 134 GLN CA C 13 55.776 0.12 . 1 . . . . . . . . 5744 1 660 . 1 1 134 134 GLN HA H 1 4.250 0.03 . 1 . . . . . . . . 5744 1 661 . 1 1 134 134 GLN CB C 13 30.254 0.12 . 1 . . . . . . . . 5744 1 662 . 1 1 135 135 ASP N N 15 121.744 0.15 . 1 . . . . . . . . 5744 1 663 . 1 1 135 135 ASP H H 1 8.215 0.03 . 1 . . . . . . . . 5744 1 664 . 1 1 135 135 ASP CA C 13 54.554 0.12 . 1 . . . . . . . . 5744 1 665 . 1 1 135 135 ASP HA H 1 4.750 0.03 . 1 . . . . . . . . 5744 1 666 . 1 1 135 135 ASP CB C 13 41.603 0.12 . 1 . . . . . . . . 5744 1 667 . 1 1 136 136 TYR N N 15 119.679 0.15 . 1 . . . . . . . . 5744 1 668 . 1 1 136 136 TYR H H 1 8.042 0.03 . 1 . . . . . . . . 5744 1 669 . 1 1 136 136 TYR CA C 13 58.002 0.12 . 1 . . . . . . . . 5744 1 670 . 1 1 136 136 TYR HA H 1 4.540 0.03 . 1 . . . . . . . . 5744 1 671 . 1 1 136 136 TYR CB C 13 39.364 0.12 . 1 . . . . . . . . 5744 1 672 . 1 1 137 137 GLU N N 15 125.255 0.15 . 1 . . . . . . . . 5744 1 673 . 1 1 137 137 GLU H H 1 8.238 0.03 . 1 . . . . . . . . 5744 1 674 . 1 1 137 137 GLU CA C 13 54.008 0.12 . 1 . . . . . . . . 5744 1 675 . 1 1 137 137 GLU HA H 1 4.530 0.03 . 1 . . . . . . . . 5744 1 676 . 1 1 137 137 GLU CB C 13 30.686 0.12 . 1 . . . . . . . . 5744 1 677 . 1 1 138 138 PRO CA C 13 63.242 0.12 . 1 . . . . . . . . 5744 1 678 . 1 1 138 138 PRO CB C 13 32.610 0.12 . 1 . . . . . . . . 5744 1 679 . 1 1 139 139 GLU N N 15 121.515 0.15 . 1 . . . . . . . . 5744 1 680 . 1 1 139 139 GLU H H 1 8.484 0.03 . 1 . . . . . . . . 5744 1 681 . 1 1 139 139 GLU CA C 13 56.900 0.12 . 1 . . . . . . . . 5744 1 682 . 1 1 139 139 GLU HA H 1 4.200 0.03 . 1 . . . . . . . . 5744 1 683 . 1 1 139 139 GLU CB C 13 30.706 0.12 . 1 . . . . . . . . 5744 1 684 . 1 1 140 140 ALA N N 15 106.799 0.15 . 1 . . . . . . . . 5744 1 685 . 1 1 140 140 ALA H H 1 7.944 0.03 . 1 . . . . . . . . 5744 1 686 . 1 1 140 140 ALA CA C 13 54.118 0.12 . 1 . . . . . . . . 5744 1 687 . 1 1 140 140 ALA HA H 1 4.100 0.03 . 1 . . . . . . . . 5744 1 688 . 1 1 140 140 ALA CB C 13 20.708 0.12 . 1 . . . . . . . . 5744 1 stop_ save_