data_18857 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C,and 15N chemical shift assignments for alpha-synuclein at different pH and temperature ; _BMRB_accession_number 18857 _BMRB_flat_file_name bmr18857.str _Entry_type original _Submission_date 2012-11-25 _Accession_date 2012-11-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vandova Gergana A. . 2 Tamiola Kamil . . 3 Oktaviani Nur A. . 4 Mulder Frans A.A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 33 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 8849 "13C chemical shifts" 8441 "15N chemical shifts" 4224 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-11-19 update author 'update temperature' 2013-12-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16300 'intrinsically unfolded alpha-synuclein' 16342 'Backbone 1H, 13C, 15N and 13C-beta Chemical Shift Assignments for alpha-synuclein at pH 3' 16543 'Backbone 1H and 15N Chemical Shifts for Disordered alpha-Synuclein' 6968 'Heteronuclear assignment of backbone and Cb of naturally unfolded alpha-synuclein' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone 1H, 13C,and 15N chemical shift assignments for alpha-synuclein at different pH and temperature' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vandova Gergana A. . 2 Tamiola Kamil . . 3 Oktaviani Nur A. . 4 Mulder Frans A.A. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name alpha-synuclein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'alpha synuclein' $alpha_synuclein stop_ _System_molecular_weight 14460 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details NA save_ ######################## # Monomeric polymers # ######################## save_alpha_synuclein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alpha_synuclein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 VAL 4 PHE 5 MET 6 LYS 7 GLY 8 LEU 9 SER 10 LYS 11 ALA 12 LYS 13 GLU 14 GLY 15 VAL 16 VAL 17 ALA 18 ALA 19 ALA 20 GLU 21 LYS 22 THR 23 LYS 24 GLN 25 GLY 26 VAL 27 ALA 28 GLU 29 ALA 30 ALA 31 GLY 32 LYS 33 THR 34 LYS 35 GLU 36 GLY 37 VAL 38 LEU 39 TYR 40 VAL 41 GLY 42 SER 43 LYS 44 THR 45 LYS 46 GLU 47 GLY 48 VAL 49 VAL 50 HIS 51 GLY 52 VAL 53 ALA 54 THR 55 VAL 56 ALA 57 GLU 58 LYS 59 THR 60 LYS 61 GLU 62 GLN 63 VAL 64 THR 65 ASN 66 VAL 67 GLY 68 GLY 69 ALA 70 VAL 71 VAL 72 THR 73 GLY 74 VAL 75 THR 76 ALA 77 VAL 78 ALA 79 GLN 80 LYS 81 THR 82 VAL 83 GLU 84 GLY 85 ALA 86 GLY 87 SER 88 ILE 89 ALA 90 ALA 91 ALA 92 THR 93 GLY 94 PHE 95 VAL 96 LYS 97 LYS 98 ASP 99 GLN 100 LEU 101 GLY 102 LYS 103 ASN 104 GLU 105 GLU 106 GLY 107 ALA 108 PRO 109 GLN 110 GLU 111 GLY 112 ILE 113 LEU 114 GLU 115 ASP 116 MET 117 PRO 118 VAL 119 ASP 120 PRO 121 ASP 122 ASN 123 GLU 124 ALA 125 TYR 126 GLU 127 MET 128 PRO 129 SER 130 GLU 131 GLU 132 GLY 133 TYR 134 GLN 135 ASP 136 TYR 137 GLU 138 PRO 139 GLU 140 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16300 alpha-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 16302 alpha-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 16342 human_a-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 16543 "monomer alpha-synuclein" 100.00 140 100.00 100.00 1.16e-89 BMRB 16546 A30P_alpha-synuclein 100.00 140 99.29 99.29 1.02e-88 BMRB 16547 E46K_alpha-synuclein 100.00 140 99.29 100.00 4.89e-89 BMRB 16548 A53T_alpha-synuclein 100.00 140 99.29 99.29 4.06e-89 BMRB 16904 alpha-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 16939 WT_alpha-synuclein_fibrils 100.00 140 99.29 99.29 2.07e-88 BMRB 17214 A30P_alpha-synuclein 100.00 140 99.29 99.29 1.02e-88 BMRB 17498 alpha-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 17648 A30P_alpha-synuclein 100.00 140 98.57 98.57 2.21e-87 BMRB 17649 A53T_alpha-synuclein_fibrils 100.00 140 98.57 98.57 7.49e-88 BMRB 17654 E46K_alpha-synuclein_fibrils 100.00 140 98.57 99.29 8.73e-88 BMRB 17665 aSyn 100.00 150 100.00 100.00 5.18e-89 BMRB 17910 wild-type_alpha-synuclein_formed_in_phospholipid_vesicles 100.00 140 99.29 99.29 2.07e-88 BMRB 18207 A53T_alpha-synuclein_fibrils 100.00 140 98.57 98.57 7.49e-88 BMRB 18208 E46K_alpha-synuclein_fibrils 100.00 140 98.57 99.29 8.73e-88 BMRB 18243 alpha-synuclein_fibrils 100.00 140 99.29 99.29 2.07e-88 BMRB 18860 a-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 19257 Alpha-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 19337 aSyn 100.00 140 100.00 100.00 1.16e-89 BMRB 19338 aSyn_A53T 100.00 140 99.29 99.29 4.06e-89 BMRB 19344 aSyn_S87N 100.00 140 99.29 100.00 4.43e-89 BMRB 19345 aSyn_A53T&S87N 100.00 140 98.57 99.29 1.98e-88 BMRB 19350 acet_aSyn 100.00 140 100.00 100.00 1.16e-89 BMRB 19351 acet_aSyn_A53T 100.00 140 99.29 99.29 4.06e-89 BMRB 25227 aSyn-WT 100.00 140 100.00 100.00 1.16e-89 BMRB 25228 H50Q 100.00 140 99.29 99.29 1.75e-88 PDB 1XQ8 "Human Micelle-Bound Alpha-Synuclein" 100.00 140 100.00 100.00 1.16e-89 PDB 2KKW "Slas-Micelle Bound Alpha-Synuclein" 100.00 140 100.00 100.00 1.16e-89 DBJ BAB29375 "unnamed protein product [Mus musculus]" 72.86 122 97.06 99.02 2.60e-56 DBJ BAF82858 "unnamed protein product [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 DBJ BAG73790 "synuclein, alpha [synthetic construct]" 100.00 140 100.00 100.00 1.16e-89 EMBL CAG33339 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 EMBL CAG46454 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 GB AAA16117 "AD amyloid [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 GB AAC02114 "NACP/alpha-synuclein [Homo sapiens]" 100.00 140 98.57 98.57 5.77e-88 GB AAG30302 "SNCA isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 GB AAH13293 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 GB AAI08276 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 REF NP_000336 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 REF NP_001009158 "alpha-synuclein [Pan troglodytes]" 100.00 140 100.00 100.00 1.16e-89 REF NP_001032222 "alpha-synuclein [Sus scrofa]" 100.00 140 97.86 97.86 1.61e-86 REF NP_001129014 "alpha-synuclein [Pongo abelii]" 100.00 140 99.29 99.29 1.94e-88 REF NP_001139526 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 SP P37840 "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" 100.00 140 100.00 100.00 1.16e-89 SP P61139 "RecName: Full=Alpha-synuclein" 100.00 140 99.29 100.00 2.43e-89 SP P61140 "RecName: Full=Alpha-synuclein" 100.00 140 100.00 100.00 1.16e-89 SP P61142 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 100.00 3.37e-89 SP P61143 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 100.00 3.37e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $alpha_synuclein Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $alpha_synuclein 'recombinant technology' . Escherichia coli . pet25 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alpha_synuclein 0.2 mM '[U-100% 13C; U-100% 15N]' DSS 0.05 mM 'natural abundance' D2O 7 % 'natural abundance' H2O 93 % 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'sodium phosphate' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . Varian . . stop_ loop_ _Task 'chemical shift assignment' collection processing stop_ _Details 'software used to get FID data' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_29 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_30 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_31 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_32 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_33 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_34 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_35 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_36 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_37 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_38 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_39 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_40 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_41 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_42 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_43 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_44 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_45 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_46 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_47 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_48 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_49 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_50 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_51 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_52 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_53 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_54 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_55 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_56 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_57 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_58 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_59 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_60 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_61 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_62 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_63 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_64 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_65 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_66 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_67 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_68 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_69 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_70 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_71 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_72 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_73 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_74 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_75 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_76 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_77 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_78 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_79 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_80 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_81 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_82 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_83 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_84 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_85 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_86 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_87 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_88 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_89 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_90 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_91 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_92 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_93 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_94 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_95 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_96 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_97 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_98 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_99 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_100 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_101 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_102 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_103 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_104 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_105 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_106 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_107 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_108 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_109 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(N)CO_110 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_111 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_112 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_113 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_114 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(N)CO_115 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_116 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_117 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_118 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_119 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(N)CO_120 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_121 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_122 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_123 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_124 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(N)CO_125 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_126 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_127 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_128 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_129 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_130 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_131 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_132 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_133 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_HN(CO)CA_134 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_135 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_136 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_137 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_138 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_139 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(N)CO_140 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_141 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_142 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_143 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_144 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_145 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_146 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_147 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_148 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_149 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(N)CO_150 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_151 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_152 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_153 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_154 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_155 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_156 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_157 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_158 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_159 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_160 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_161 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_162 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_HA(CA)CO_163 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HA(CA)CO' _Sample_label $sample_1 save_ save_2D_H(NCO)CA_164 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(NCO)CA' _Sample_label $sample_1 save_ save_2D_H(N)CO_165 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(N)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_pH_2.16 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.16 . pH temperature 283 . K stop_ save_ save_pH_2.36 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.36 . pH temperature 283 . K stop_ save_ save_pH_2.61 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.61 . pH temperature 283 . K stop_ save_ save_pH_2.82 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.82 . pH temperature 283 . K stop_ save_ save_pH_3.11 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.11 . pH temperature 283 . K stop_ save_ save_pH_3.19 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.19 . pH temperature 283 . K stop_ save_ save_pH_3.38 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.38 . pH temperature 283 . K stop_ save_ save_pH_3.58 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.58 . pH temperature 283 . K stop_ save_ save_pH_3.78 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.78 . pH temperature 283 . K stop_ save_ save_pH_4.00 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.00 . pH temperature 283 . K stop_ save_ save_pH_4.21 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.21 . pH temperature 283 . K stop_ save_ save_pH_4.42 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.42 . pH temperature 283 . K stop_ save_ save_pH_4.67 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.67 . pH temperature 283 . K stop_ save_ save_pH_4.87 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.87 . pH temperature 283 . K stop_ save_ save_pH_5.02 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.02 . pH temperature 283 . K stop_ save_ save_pH_5.21 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.21 . pH temperature 283 . K stop_ save_ save_pH_5.42 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.42 . pH temperature 283 . K stop_ save_ save_pH_5.57 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.57 . pH temperature 283 . K stop_ save_ save_pH_5.71 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.71 . pH temperature 283 . K stop_ save_ save_pH_5.85 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.85 . pH temperature 283 . K stop_ save_ save_pH_6.09 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.09 . pH temperature 283 . K stop_ save_ save_pH_6.34 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.34 . pH temperature 283 . K stop_ save_ save_pH_6.55 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.55 . pH temperature 283 . K stop_ save_ save_pH_6.74 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.74 . pH temperature 283 . K stop_ save_ save_pH_6.94 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.94 . pH temperature 283 . K stop_ save_ save_pH_7.10 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.10 . pH temperature 283 . K stop_ save_ save_pH_7.34 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.34 . pH temperature 283 . K stop_ save_ save_pH_7.51 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.51 . pH temperature 283 . K stop_ save_ save_temp_5 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.87 . pH temperature 278 . K stop_ save_ save_temp_15 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.87 . pH temperature 288 . K stop_ save_ save_temp_20 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.87 . pH temperature 293 . K stop_ save_ save_temp_25 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.87 . pH temperature 298 . K stop_ save_ save_temp_30 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.87 . pH temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_2.16 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.141 0.002 1 2 1 1 MET C C 171.906 0.006 1 3 1 1 MET CA C 54.961 0.025 1 4 2 2 ASP H H 9.002 0.001 1 5 2 2 ASP HA H 4.803 0.000 1 6 2 2 ASP C C 174.633 0.000 1 7 2 2 ASP CA C 52.708 0.028 1 8 2 2 ASP N N 122.939 0.000 1 9 3 3 VAL H H 8.341 0.001 1 10 3 3 VAL HA H 4.037 0.000 1 11 3 3 VAL C C 175.757 0.003 1 12 3 3 VAL CA C 62.499 0.000 1 13 3 3 VAL N N 121.482 0.000 1 14 4 4 PHE H H 8.377 0.001 1 15 4 4 PHE HA H 4.604 0.003 1 16 4 4 PHE C C 175.721 0.001 1 17 4 4 PHE CA C 57.873 0.013 1 18 4 4 PHE N N 124.107 0.000 1 19 5 5 MET H H 8.258 0.000 1 20 5 5 MET HA H 4.416 0.000 1 21 5 5 MET C C 175.863 0.000 1 22 5 5 MET CA C 55.205 0.056 1 23 5 5 MET N N 122.727 0.000 1 24 6 6 LYS H H 8.346 0.001 1 25 6 6 LYS HA H 4.207 0.003 1 26 6 6 LYS C C 177.160 0.000 1 27 6 6 LYS CA C 56.904 0.026 1 28 6 6 LYS N N 123.094 0.000 1 29 7 7 GLY H H 8.492 0.001 1 30 7 7 GLY HA2 H 3.940 0.000 1 31 7 7 GLY HA3 H 3.940 0.000 1 32 7 7 GLY C C 174.212 0.002 1 33 7 7 GLY CA C 45.294 0.000 1 34 7 7 GLY N N 110.178 0.000 1 35 8 8 LEU H H 8.140 0.002 1 36 8 8 LEU HA H 4.388 0.002 1 37 8 8 LEU C C 177.716 0.003 1 38 8 8 LEU CA C 55.123 0.025 1 39 8 8 LEU N N 121.739 0.000 1 40 9 9 SER H H 8.393 0.000 1 41 9 9 SER HA H 4.414 0.004 1 42 9 9 SER C C 174.738 0.002 1 43 9 9 SER CA C 58.352 0.030 1 44 9 9 SER N N 116.958 0.000 1 45 10 10 LYS H H 8.473 0.000 1 46 10 10 LYS HA H 4.352 0.000 1 47 10 10 LYS C C 176.764 0.003 1 48 10 10 LYS CA C 56.548 0.000 1 49 10 10 LYS N N 123.840 0.000 1 50 11 11 ALA H H 8.337 0.001 1 51 11 11 ALA HA H 4.246 0.000 1 52 11 11 ALA C C 178.137 0.002 1 53 11 11 ALA CA C 52.804 0.000 1 54 11 11 ALA N N 124.899 0.000 1 55 12 12 LYS H H 8.366 0.001 1 56 12 12 LYS HA H 4.268 0.000 1 57 12 12 LYS C C 176.880 0.004 1 58 12 12 LYS CA C 56.467 0.000 1 59 12 12 LYS N N 120.829 0.000 1 60 13 13 GLU H H 8.430 0.002 1 61 13 13 GLU C C 176.710 0.000 1 62 13 13 GLU CA C 56.179 0.000 1 63 13 13 GLU N N 121.567 0.000 1 64 14 14 GLY H H 8.515 0.002 1 65 14 14 GLY C C 174.109 0.000 1 66 14 14 GLY CA C 45.293 0.000 1 67 14 14 GLY N N 110.346 0.000 1 68 15 15 VAL H H 8.051 0.001 1 69 15 15 VAL HA H 4.073 0.000 1 70 15 15 VAL C C 176.725 0.013 1 71 15 15 VAL CA C 62.811 0.000 1 72 15 15 VAL N N 120.354 0.000 1 73 16 16 VAL H H 8.350 0.002 1 74 16 16 VAL HA H 4.043 0.000 1 75 16 16 VAL C C 176.282 0.001 1 76 16 16 VAL CA C 62.699 0.000 1 77 16 16 VAL N N 125.345 0.000 1 78 17 17 ALA H H 8.499 0.002 1 79 17 17 ALA HA H 4.243 0.000 1 80 17 17 ALA C C 178.005 0.001 1 81 17 17 ALA CA C 52.768 0.000 1 82 17 17 ALA N N 128.200 0.000 1 83 18 18 ALA H H 8.355 0.002 1 84 18 18 ALA HA H 4.223 0.000 1 85 18 18 ALA C C 178.080 0.002 1 86 18 18 ALA CA C 52.793 0.000 1 87 18 18 ALA N N 123.482 0.000 1 88 19 19 ALA H H 8.296 0.002 1 89 19 19 ALA HA H 4.269 0.000 1 90 19 19 ALA C C 178.273 0.003 1 91 19 19 ALA CA C 52.896 0.000 1 92 19 19 ALA N N 122.951 0.000 1 93 20 20 GLU H H 8.297 0.000 1 94 20 20 GLU C C 176.460 0.000 1 95 20 20 GLU CA C 56.047 0.000 1 96 20 20 GLU N N 119.461 0.000 1 97 21 21 LYS H H 8.383 0.002 1 98 21 21 LYS HA H 4.347 0.000 1 99 21 21 LYS C C 177.130 0.003 1 100 21 21 LYS CA C 56.706 0.000 1 101 21 21 LYS N N 122.551 0.000 1 102 22 22 THR H H 8.222 0.002 1 103 22 22 THR HA H 4.300 0.000 1 104 22 22 THR C C 174.728 0.005 1 105 22 22 THR CA C 62.149 0.000 1 106 22 22 THR N N 115.646 0.000 1 107 23 23 LYS H H 8.468 0.000 1 108 23 23 LYS HA H 4.284 0.000 1 109 23 23 LYS C C 176.806 0.011 1 110 23 23 LYS CA C 56.781 0.000 1 111 23 23 LYS N N 123.975 0.000 1 112 24 24 GLN H H 8.515 0.001 1 113 24 24 GLN HA H 4.302 0.000 1 114 24 24 GLN C C 176.675 0.006 1 115 24 24 GLN CA C 56.179 0.000 1 116 24 24 GLN N N 121.905 0.000 1 117 25 25 GLY H H 8.511 0.002 1 118 25 25 GLY HA2 H 3.999 0.000 1 119 25 25 GLY HA3 H 3.999 0.000 1 120 25 25 GLY C C 174.317 0.002 1 121 25 25 GLY CA C 45.338 0.000 1 122 25 25 GLY N N 110.548 0.000 1 123 26 26 VAL H H 8.092 0.001 1 124 26 26 VAL HA H 4.083 0.000 1 125 26 26 VAL C C 176.407 0.000 1 126 26 26 VAL CA C 62.592 0.000 1 127 26 26 VAL N N 120.024 0.000 1 128 27 27 ALA H H 8.483 0.001 1 129 27 27 ALA HA H 4.293 0.000 1 130 27 27 ALA C C 178.102 0.002 1 131 27 27 ALA CA C 52.777 0.000 1 132 27 27 ALA N N 127.538 0.000 1 133 28 28 GLU H H 8.388 0.001 1 134 28 28 GLU HA H 4.300 0.000 1 135 28 28 GLU C C 176.168 0.001 1 136 28 28 GLU CA C 55.926 0.000 1 137 28 28 GLU N N 120.081 0.000 1 138 29 29 ALA H H 8.380 0.001 1 139 29 29 ALA HA H 4.262 0.000 1 140 29 29 ALA C C 177.696 0.002 1 141 29 29 ALA CA C 52.616 0.000 1 142 29 29 ALA N N 125.375 0.000 1 143 30 30 ALA H H 8.353 0.000 1 144 30 30 ALA HA H 4.290 0.000 1 145 30 30 ALA C C 178.543 0.001 1 146 30 30 ALA CA C 52.809 0.000 1 147 30 30 ALA N N 123.479 0.000 1 148 31 31 GLY H H 8.403 0.002 1 149 31 31 GLY HA2 H 3.934 0.000 1 150 31 31 GLY HA3 H 3.934 0.000 1 151 31 31 GLY C C 174.296 0.005 1 152 31 31 GLY CA C 45.318 0.000 1 153 31 31 GLY N N 108.009 0.000 1 154 32 32 LYS H H 8.230 0.001 1 155 32 32 LYS HA H 4.405 0.001 1 156 32 32 LYS C C 177.101 0.001 1 157 32 32 LYS CA C 56.305 0.019 1 158 32 32 LYS N N 120.824 0.000 1 159 33 33 THR H H 8.264 0.000 1 160 33 33 THR HA H 4.310 0.000 1 161 33 33 THR C C 174.613 0.001 1 162 33 33 THR CA C 62.029 0.000 1 163 33 33 THR N N 115.748 0.000 1 164 34 34 LYS H H 8.516 0.000 1 165 34 34 LYS C C 176.515 0.000 1 166 34 34 LYS CA C 56.474 0.000 1 167 34 34 LYS N N 124.200 0.000 1 168 35 35 GLU H H 8.457 0.000 1 169 35 35 GLU HA H 4.340 0.000 1 170 35 35 GLU C C 176.519 0.002 1 171 35 35 GLU CA C 55.964 0.000 1 172 35 35 GLU N N 121.786 0.000 1 173 36 36 GLY H H 8.513 0.001 1 174 36 36 GLY HA2 H 3.955 0.000 1 175 36 36 GLY HA3 H 3.955 0.000 1 176 36 36 GLY C C 173.985 0.002 1 177 36 36 GLY CA C 45.214 0.000 1 178 36 36 GLY N N 110.467 0.000 1 179 37 37 VAL H H 8.051 0.001 1 180 37 37 VAL HA H 4.070 0.000 1 181 37 37 VAL C C 176.066 0.003 1 182 37 37 VAL CA C 62.377 0.000 1 183 37 37 VAL N N 119.693 0.000 1 184 38 38 LEU H H 8.362 0.002 1 185 38 38 LEU HA H 4.341 0.001 1 186 38 38 LEU C C 176.713 0.001 1 187 38 38 LEU CA C 54.933 0.000 1 188 38 38 LEU N N 126.002 0.000 1 189 39 39 TYR H H 8.349 0.002 1 190 39 39 TYR HA H 4.574 0.005 1 191 39 39 TYR C C 175.631 0.003 1 192 39 39 TYR CA C 57.936 0.027 1 193 39 39 TYR N N 122.734 0.000 1 194 40 40 VAL H H 8.141 0.000 1 195 40 40 VAL HA H 4.052 0.000 1 196 40 40 VAL C C 176.162 0.002 1 197 40 40 VAL CA C 62.188 0.000 1 198 40 40 VAL N N 123.862 0.000 1 199 41 41 GLY H H 8.090 0.002 1 200 41 41 GLY HA2 H 3.930 0.000 1 201 41 41 GLY HA3 H 3.930 0.000 1 202 41 41 GLY C C 174.006 0.000 1 203 41 41 GLY CA C 45.143 0.000 1 204 41 41 GLY N N 112.300 0.000 1 205 42 42 SER H H 8.323 0.001 1 206 42 42 SER HA H 4.441 0.002 1 207 42 42 SER C C 174.969 0.002 1 208 42 42 SER CA C 58.373 0.026 1 209 42 42 SER N N 115.667 0.000 1 210 43 43 LYS H H 8.577 0.001 1 211 43 43 LYS HA H 4.404 0.005 1 212 43 43 LYS C C 176.988 0.010 1 213 43 43 LYS CA C 56.516 0.052 1 214 43 43 LYS N N 123.635 0.000 1 215 44 44 THR H H 8.204 0.001 1 216 44 44 THR HA H 4.295 0.000 1 217 44 44 THR C C 174.565 0.004 1 218 44 44 THR CA C 62.058 0.000 1 219 44 44 THR N N 115.635 0.000 1 220 45 45 LYS H H 8.471 0.001 1 221 45 45 LYS HA H 4.296 0.000 1 222 45 45 LYS C C 176.519 0.001 1 223 45 45 LYS CA C 56.454 0.000 1 224 45 45 LYS N N 124.248 0.000 1 225 46 46 GLU H H 8.465 0.002 1 226 46 46 GLU HA H 4.341 0.000 1 227 46 46 GLU C C 176.520 0.003 1 228 46 46 GLU CA C 55.966 0.000 1 229 46 46 GLU N N 121.923 0.000 1 230 47 47 GLY H H 8.514 0.002 1 231 47 47 GLY HA2 H 3.910 0.000 1 232 47 47 GLY HA3 H 3.910 0.000 1 233 47 47 GLY C C 173.798 0.007 1 234 47 47 GLY CA C 45.145 0.000 1 235 47 47 GLY N N 110.501 0.000 1 236 48 48 VAL H H 8.067 0.001 1 237 48 48 VAL HA H 4.092 0.000 1 238 48 48 VAL C C 176.197 0.002 1 239 48 48 VAL CA C 62.275 0.000 1 240 48 48 VAL N N 120.014 0.000 1 241 49 49 VAL H H 8.383 0.000 1 242 49 49 VAL HA H 4.060 0.000 1 243 49 49 VAL C C 175.995 0.003 1 244 49 49 VAL CA C 62.261 0.000 1 245 49 49 VAL N N 125.385 0.000 1 246 50 50 HIS H H 8.801 0.000 1 247 50 50 HIS HA H 4.737 0.004 1 248 50 50 HIS C C 174.714 0.010 1 249 50 50 HIS CA C 55.102 0.021 1 250 50 50 HIS N N 123.566 0.000 1 251 51 51 GLY H H 8.558 0.002 1 252 51 51 GLY HA2 H 4.001 0.000 1 253 51 51 GLY HA3 H 4.001 0.000 1 254 51 51 GLY C C 173.764 0.002 1 255 51 51 GLY CA C 45.045 0.000 1 256 51 51 GLY N N 110.793 0.000 1 257 52 52 VAL H H 8.197 0.002 1 258 52 52 VAL HA H 4.152 0.002 1 259 52 52 VAL C C 176.038 0.002 1 260 52 52 VAL CA C 61.995 0.038 1 261 52 52 VAL N N 119.829 0.000 1 262 53 53 ALA H H 8.586 0.001 1 263 53 53 ALA HA H 4.409 0.008 1 264 53 53 ALA C C 177.933 0.004 1 265 53 53 ALA CA C 52.428 0.033 1 266 53 53 ALA N N 128.563 0.000 1 267 54 54 THR H H 8.267 0.000 1 268 54 54 THR HA H 4.320 0.000 1 269 54 54 THR C C 174.664 0.002 1 270 54 54 THR CA C 61.847 0.000 1 271 54 54 THR N N 115.029 0.000 1 272 55 55 VAL H H 8.327 0.001 1 273 55 55 VAL C C 175.971 0.000 1 274 55 55 VAL CA C 62.515 0.000 1 275 55 55 VAL N N 123.318 0.000 1 276 56 56 ALA H H 8.504 0.000 1 277 56 56 ALA HA H 4.281 0.000 1 278 56 56 ALA C C 177.923 0.000 1 279 56 56 ALA CA C 52.616 0.000 1 280 56 56 ALA N N 127.981 0.000 1 281 57 57 GLU H H 8.375 0.002 1 282 57 57 GLU HA H 4.310 0.000 1 283 57 57 GLU C C 176.419 0.011 1 284 57 57 GLU CA C 55.909 0.000 1 285 57 57 GLU N N 120.285 0.000 1 286 58 58 LYS H H 8.504 0.002 1 287 58 58 LYS HA H 4.343 0.000 1 288 58 58 LYS C C 177.037 0.002 1 289 58 58 LYS CA C 56.703 0.000 1 290 58 58 LYS N N 122.955 0.000 1 291 59 59 THR H H 8.247 0.003 1 292 59 59 THR HA H 4.283 0.000 1 293 59 59 THR C C 174.596 0.001 1 294 59 59 THR CA C 62.186 0.000 1 295 59 59 THR N N 115.983 0.000 1 296 60 60 LYS H H 8.436 0.001 1 297 60 60 LYS HA H 4.292 0.000 1 298 60 60 LYS C C 176.651 0.000 1 299 60 60 LYS CA C 56.588 0.000 1 300 60 60 LYS N N 123.922 0.000 1 301 61 61 GLU H H 8.413 0.001 1 302 61 61 GLU C C 175.973 0.000 1 303 61 61 GLU CA C 55.941 0.000 1 304 61 61 GLU N N 121.778 0.000 1 305 62 62 GLN H H 8.505 0.001 1 306 62 62 GLN HA H 4.343 0.000 1 307 62 62 GLN C C 175.938 0.002 1 308 62 62 GLN CA C 55.804 0.000 1 309 62 62 GLN N N 122.370 0.000 1 310 63 63 VAL H H 8.386 0.000 1 311 63 63 VAL HA H 4.197 0.000 1 312 63 63 VAL C C 176.374 0.002 1 313 63 63 VAL CA C 62.346 0.042 1 314 63 63 VAL N N 122.206 0.000 1 315 64 64 THR H H 8.376 0.003 1 316 64 64 THR HA H 4.363 0.000 1 317 64 64 THR C C 174.052 0.010 1 318 64 64 THR CA C 61.748 0.000 1 319 64 64 THR N N 118.359 0.000 1 320 65 65 ASN H H 8.604 0.001 1 321 65 65 ASN HA H 4.781 0.000 1 322 65 65 ASN C C 175.296 0.000 1 323 65 65 ASN CA C 53.090 0.011 1 324 65 65 ASN N N 121.975 0.000 1 325 66 66 VAL H H 8.327 0.000 1 326 66 66 VAL HA H 4.123 0.003 1 327 66 66 VAL C C 176.915 0.002 1 328 66 66 VAL CA C 62.662 0.039 1 329 66 66 VAL N N 120.956 0.000 1 330 67 67 GLY H H 8.632 0.001 1 331 67 67 GLY HA2 H 3.971 0.000 1 332 67 67 GLY HA3 H 3.971 0.000 1 333 67 67 GLY C C 174.700 0.001 1 334 67 67 GLY CA C 45.325 0.000 1 335 67 67 GLY N N 112.847 0.000 1 336 68 68 GLY H H 8.303 0.001 1 337 68 68 GLY HA2 H 3.939 0.000 1 338 68 68 GLY HA3 H 3.939 0.000 1 339 68 68 GLY C C 173.763 0.004 1 340 68 68 GLY CA C 45.005 0.000 1 341 68 68 GLY N N 108.923 0.000 1 342 69 69 ALA H H 8.240 0.001 1 343 69 69 ALA HA H 4.347 0.004 1 344 69 69 ALA C C 177.726 0.003 1 345 69 69 ALA CA C 52.299 0.023 1 346 69 69 ALA N N 123.879 0.000 1 347 70 70 VAL H H 8.307 0.000 1 348 70 70 VAL HA H 4.067 0.000 1 349 70 70 VAL C C 176.410 0.001 1 350 70 70 VAL CA C 62.429 0.000 1 351 70 70 VAL N N 120.772 0.000 1 352 71 71 VAL H H 8.486 0.001 1 353 71 71 VAL HA H 4.216 0.003 1 354 71 71 VAL C C 176.353 0.004 1 355 71 71 VAL CA C 62.127 0.022 1 356 71 71 VAL N N 125.772 0.000 1 357 72 72 THR H H 8.398 0.001 1 358 72 72 THR HA H 4.364 0.000 1 359 72 72 THR C C 174.947 0.002 1 360 72 72 THR CA C 61.914 0.000 1 361 72 72 THR N N 118.970 0.000 1 362 73 73 GLY H H 8.511 0.002 1 363 73 73 GLY HA2 H 3.987 0.000 1 364 73 73 GLY HA3 H 3.987 0.000 1 365 73 73 GLY C C 174.046 0.004 1 366 73 73 GLY CA C 45.237 0.000 1 367 73 73 GLY N N 111.497 0.000 1 368 74 74 VAL H H 8.167 0.000 1 369 74 74 VAL HA H 4.184 0.001 1 370 74 74 VAL C C 176.641 0.000 1 371 74 74 VAL CA C 62.326 0.026 1 372 74 74 VAL N N 119.726 0.000 1 373 75 75 THR H H 8.385 0.000 1 374 75 75 THR HA H 4.311 0.000 1 375 75 75 THR C C 174.139 0.006 1 376 75 75 THR CA C 61.996 0.000 1 377 75 75 THR N N 119.301 0.000 1 378 76 76 ALA H H 8.458 0.001 1 379 76 76 ALA HA H 4.338 0.000 1 380 76 76 ALA C C 177.673 0.003 1 381 76 76 ALA CA C 52.470 0.009 1 382 76 76 ALA N N 127.631 0.000 1 383 77 77 VAL H H 8.232 0.000 1 384 77 77 VAL HA H 4.039 0.000 1 385 77 77 VAL C C 176.113 0.003 1 386 77 77 VAL CA C 62.322 0.000 1 387 77 77 VAL N N 120.362 0.000 1 388 78 78 ALA H H 8.492 0.002 1 389 78 78 ALA HA H 4.284 0.000 1 390 78 78 ALA C C 177.755 0.003 1 391 78 78 ALA CA C 52.523 0.000 1 392 78 78 ALA N N 128.375 0.000 1 393 79 79 GLN H H 8.475 0.000 1 394 79 79 GLN HA H 4.288 0.000 1 395 79 79 GLN C C 176.083 0.006 1 396 79 79 GLN CA C 55.702 0.000 1 397 79 79 GLN N N 120.570 0.000 1 398 80 80 LYS H H 8.508 0.001 1 399 80 80 LYS HA H 4.352 0.000 1 400 80 80 LYS C C 176.760 0.002 1 401 80 80 LYS CA C 56.429 0.000 1 402 80 80 LYS N N 123.315 0.000 1 403 81 81 THR H H 8.339 0.000 1 404 81 81 THR HA H 4.333 0.000 1 405 81 81 THR C C 174.444 0.009 1 406 81 81 THR CA C 61.993 0.000 1 407 81 81 THR N N 116.978 0.000 1 408 82 82 VAL H H 8.389 0.001 1 409 82 82 VAL HA H 4.115 0.000 1 410 82 82 VAL C C 176.159 0.000 1 411 82 82 VAL CA C 62.329 0.000 1 412 82 82 VAL N N 123.570 0.000 1 413 83 83 GLU H H 8.588 0.000 1 414 83 83 GLU HA H 4.363 0.000 1 415 83 83 GLU C C 176.566 0.003 1 416 83 83 GLU CA C 55.868 0.000 1 417 83 83 GLU N N 124.881 0.000 1 418 84 84 GLY H H 8.584 0.002 1 419 84 84 GLY HA2 H 3.956 0.000 1 420 84 84 GLY HA3 H 3.956 0.000 1 421 84 84 GLY C C 174.062 0.004 1 422 84 84 GLY CA C 45.178 0.000 1 423 84 84 GLY N N 110.928 0.000 1 424 85 85 ALA H H 8.379 0.001 1 425 85 85 ALA HA H 4.305 0.000 1 426 85 85 ALA C C 178.596 0.008 1 427 85 85 ALA CA C 52.926 0.000 1 428 85 85 ALA N N 124.107 0.000 1 429 86 86 GLY H H 8.584 0.002 1 430 86 86 GLY HA2 H 3.971 0.000 1 431 86 86 GLY HA3 H 3.971 0.000 1 432 86 86 GLY C C 174.356 0.008 1 433 86 86 GLY CA C 45.258 0.000 1 434 86 86 GLY N N 108.397 0.000 1 435 87 87 SER H H 8.211 0.001 1 436 87 87 SER HA H 4.460 0.004 1 437 87 87 SER C C 174.748 0.001 1 438 87 87 SER CA C 58.401 0.048 1 439 87 87 SER N N 115.837 0.000 1 440 88 88 ILE H H 8.262 0.001 1 441 88 88 ILE HA H 4.161 0.002 1 442 88 88 ILE C C 176.358 0.002 1 443 88 88 ILE CA C 61.313 0.047 1 444 88 88 ILE N N 122.945 0.000 1 445 89 89 ALA H H 8.422 0.001 1 446 89 89 ALA HA H 4.249 0.000 1 447 89 89 ALA C C 177.659 0.002 1 448 89 89 ALA CA C 52.654 0.000 1 449 89 89 ALA N N 128.230 0.000 1 450 90 90 ALA H H 8.285 0.000 1 451 90 90 ALA HA H 4.247 0.000 1 452 90 90 ALA C C 177.809 0.001 1 453 90 90 ALA CA C 52.511 0.000 1 454 90 90 ALA N N 123.479 0.000 1 455 91 91 ALA H H 8.362 0.000 1 456 91 91 ALA HA H 4.353 0.004 1 457 91 91 ALA C C 178.212 0.011 1 458 91 91 ALA CA C 52.632 0.010 1 459 91 91 ALA N N 123.547 0.000 1 460 92 92 THR H H 8.168 0.001 1 461 92 92 THR HA H 4.297 0.000 1 462 92 92 THR C C 175.233 0.006 1 463 92 92 THR CA C 62.051 0.000 1 464 92 92 THR N N 112.861 0.000 1 465 93 93 GLY H H 8.376 0.000 1 466 93 93 GLY HA2 H 3.913 0.000 1 467 93 93 GLY HA3 H 3.913 0.000 1 468 93 93 GLY C C 173.748 0.004 1 469 93 93 GLY CA C 45.159 0.000 1 470 93 93 GLY N N 110.781 0.000 1 471 94 94 PHE H H 8.157 0.001 1 472 94 94 PHE HA H 4.601 0.006 1 473 94 94 PHE C C 175.651 0.001 1 474 94 94 PHE CA C 57.876 0.015 1 475 94 94 PHE N N 120.435 0.000 1 476 95 95 VAL H H 8.100 0.002 1 477 95 95 VAL HA H 4.000 0.000 1 478 95 95 VAL C C 175.678 0.005 1 479 95 95 VAL CA C 62.123 0.000 1 480 95 95 VAL N N 123.746 0.000 1 481 96 96 LYS H H 8.436 0.000 1 482 96 96 LYS HA H 4.208 0.003 1 483 96 96 LYS C C 176.664 0.001 1 484 96 96 LYS CA C 56.489 0.015 1 485 96 96 LYS N N 126.255 0.000 1 486 97 97 LYS H H 8.470 0.001 1 487 97 97 LYS HA H 4.273 0.000 1 488 97 97 LYS C C 176.563 0.001 1 489 97 97 LYS CA C 56.630 0.000 1 490 97 97 LYS N N 123.170 0.000 1 491 98 98 ASP H H 8.589 0.002 1 492 98 98 ASP HA H 4.667 0.006 1 493 98 98 ASP C C 175.120 0.004 1 494 98 98 ASP CA C 53.037 0.022 1 495 98 98 ASP N N 119.944 0.000 1 496 99 99 GLN H H 8.449 0.001 1 497 99 99 GLN HA H 4.316 0.000 1 498 99 99 GLN C C 175.928 0.000 1 499 99 99 GLN CA C 55.864 0.000 1 500 99 99 GLN N N 121.122 0.000 1 501 100 100 LEU H H 8.310 0.000 1 502 100 100 LEU HA H 4.339 0.004 1 503 100 100 LEU C C 177.964 0.006 1 504 100 100 LEU CA C 55.337 0.012 1 505 100 100 LEU N N 123.247 0.000 1 506 101 101 GLY H H 8.463 0.002 1 507 101 101 GLY HA2 H 3.940 0.000 1 508 101 101 GLY HA3 H 3.940 0.000 1 509 101 101 GLY C C 174.241 0.002 1 510 101 101 GLY CA C 45.258 0.000 1 511 101 101 GLY N N 109.725 0.000 1 512 102 102 LYS H H 8.262 0.001 1 513 102 102 LYS HA H 4.302 0.000 1 514 102 102 LYS C C 176.617 0.002 1 515 102 102 LYS CA C 56.405 0.000 1 516 102 102 LYS N N 120.811 0.000 1 517 103 103 ASN H H 8.630 0.001 1 518 103 103 ASN HA H 4.677 0.002 1 519 103 103 ASN C C 175.361 0.001 1 520 103 103 ASN CA C 53.377 0.011 1 521 103 103 ASN N N 119.435 0.000 1 522 104 104 GLU H H 8.397 0.001 1 523 104 104 GLU HA H 4.378 0.000 1 524 104 104 GLU C C 176.103 0.001 1 525 104 104 GLU CA C 55.887 0.000 1 526 104 104 GLU N N 120.614 0.000 1 527 105 105 GLU H H 8.430 0.002 1 528 105 105 GLU C C 176.519 0.000 1 529 105 105 GLU CA C 56.092 0.000 1 530 105 105 GLU N N 121.017 0.000 1 531 106 106 GLY H H 8.480 0.002 1 532 106 106 GLY HA2 H 3.930 0.000 1 533 106 106 GLY HA3 H 3.930 0.000 1 534 106 106 GLY C C 173.385 0.002 1 535 106 106 GLY CA C 44.977 0.000 1 536 106 106 GLY N N 110.203 0.000 1 537 107 107 ALA H H 8.191 0.000 1 538 107 107 ALA N N 124.927 0.000 1 539 108 108 PRO HA H 4.423 0.003 1 540 108 108 PRO C C 177.104 0.000 1 541 108 108 PRO CA C 63.157 0.041 1 542 109 109 GLN H H 8.603 0.001 1 543 109 109 GLN HA H 4.287 0.000 1 544 109 109 GLN C C 176.048 0.011 1 545 109 109 GLN CA C 55.758 0.000 1 546 109 109 GLN N N 120.814 0.000 1 547 110 110 GLU H H 8.499 0.001 1 548 110 110 GLU HA H 4.366 0.000 1 549 110 110 GLU C C 176.514 0.002 1 550 110 110 GLU CA C 55.917 0.000 1 551 110 110 GLU N N 121.645 0.000 1 552 111 111 GLY H H 8.515 0.001 1 553 111 111 GLY HA2 H 3.939 0.000 1 554 111 111 GLY HA3 H 3.939 0.000 1 555 111 111 GLY C C 174.089 0.004 1 556 111 111 GLY CA C 45.356 0.000 1 557 111 111 GLY N N 110.217 0.000 1 558 112 112 ILE H H 8.039 0.002 1 559 112 112 ILE HA H 4.161 0.002 1 560 112 112 ILE C C 176.549 0.001 1 561 112 112 ILE CA C 61.282 0.016 1 562 112 112 ILE N N 119.955 0.000 1 563 113 113 LEU H H 8.382 0.002 1 564 113 113 LEU HA H 4.346 0.006 1 565 113 113 LEU C C 177.366 0.005 1 566 113 113 LEU CA C 55.258 0.004 1 567 113 113 LEU N N 125.783 0.000 1 568 114 114 GLU H H 8.341 0.003 1 569 114 114 GLU HA H 4.358 0.000 1 570 114 114 GLU C C 175.574 0.023 1 571 114 114 GLU CA C 55.739 0.000 1 572 114 114 GLU N N 120.686 0.000 1 573 115 115 ASP H H 8.455 0.001 1 574 115 115 ASP HA H 4.700 0.000 1 575 115 115 ASP C C 174.650 0.000 1 576 115 115 ASP CA C 52.733 0.004 1 577 115 115 ASP N N 119.428 0.000 1 578 116 116 MET H H 8.258 0.001 1 579 116 116 MET N N 121.870 0.000 1 580 117 117 PRO HA H 4.447 0.002 1 581 117 117 PRO C C 176.731 0.010 1 582 117 117 PRO CA C 62.891 0.000 1 583 118 118 VAL H H 8.338 0.002 1 584 118 118 VAL HA H 4.037 0.000 1 585 118 118 VAL C C 175.773 0.012 1 586 118 118 VAL CA C 62.287 0.000 1 587 118 118 VAL N N 120.682 0.000 1 588 119 119 ASP H H 8.690 0.000 1 589 119 119 ASP N N 123.493 0.000 1 590 120 120 PRO HA H 4.358 0.003 1 591 120 120 PRO C C 176.834 0.006 1 592 120 120 PRO CA C 63.596 0.049 1 593 121 121 ASP H H 8.388 0.002 1 594 121 121 ASP HA H 4.673 0.000 1 595 121 121 ASP C C 174.974 0.000 1 596 121 121 ASP CA C 53.033 0.019 1 597 121 121 ASP N N 117.584 0.000 1 598 122 122 ASN H H 8.265 0.002 1 599 122 122 ASN HA H 4.702 0.000 1 600 122 122 ASN C C 175.373 0.000 1 601 122 122 ASN CA C 53.431 0.013 1 602 122 122 ASN N N 118.874 0.000 1 603 123 123 GLU H H 8.232 0.001 1 604 123 123 GLU HA H 4.300 0.000 1 605 123 123 GLU C C 175.930 0.004 1 606 123 123 GLU CA C 56.145 0.000 1 607 123 123 GLU N N 120.362 0.000 1 608 124 124 ALA H H 8.290 0.001 1 609 124 124 ALA HA H 4.224 0.000 1 610 124 124 ALA C C 177.492 0.005 1 611 124 124 ALA CA C 52.817 0.000 1 612 124 124 ALA N N 124.120 0.000 1 613 125 125 TYR H H 8.020 0.003 1 614 125 125 TYR HA H 4.508 0.005 1 615 125 125 TYR C C 175.490 0.003 1 616 125 125 TYR CA C 57.831 0.038 1 617 125 125 TYR N N 118.644 0.000 1 618 126 126 GLU H H 8.015 0.003 1 619 126 126 GLU HA H 4.312 0.002 1 620 126 126 GLU C C 175.153 0.011 1 621 126 126 GLU CA C 55.056 0.023 1 622 126 126 GLU N N 122.182 0.000 1 623 127 127 MET H H 8.306 0.001 1 624 127 127 MET N N 122.799 0.000 1 625 128 128 PRO HA H 4.355 0.006 1 626 128 128 PRO C C 177.147 0.002 1 627 128 128 PRO CA C 63.567 0.020 1 628 129 129 SER H H 8.402 0.000 1 629 129 129 SER HA H 4.369 0.005 1 630 129 129 SER C C 174.969 0.003 1 631 129 129 SER CA C 58.574 0.028 1 632 129 129 SER N N 115.246 0.000 1 633 130 130 GLU H H 8.398 0.001 1 634 130 130 GLU HA H 4.386 0.000 1 635 130 130 GLU C C 176.115 0.011 1 636 130 130 GLU CA C 55.907 0.000 1 637 130 130 GLU N N 121.918 0.000 1 638 131 131 GLU H H 8.334 0.001 1 639 131 131 GLU HA H 4.286 0.000 1 640 131 131 GLU C C 176.528 0.003 1 641 131 131 GLU CA C 56.233 0.000 1 642 131 131 GLU N N 120.682 0.000 1 643 132 132 GLY H H 8.419 0.000 1 644 132 132 GLY HA2 H 3.879 0.000 1 645 132 132 GLY HA3 H 3.879 0.000 1 646 132 132 GLY C C 174.051 0.002 1 647 132 132 GLY CA C 45.266 0.000 1 648 132 132 GLY N N 109.826 0.000 1 649 133 133 TYR H H 8.079 0.001 1 650 133 133 TYR HA H 4.506 0.001 1 651 133 133 TYR C C 175.943 0.001 1 652 133 133 TYR CA C 58.192 0.022 1 653 133 133 TYR N N 120.217 0.000 1 654 134 134 GLN H H 8.334 0.001 1 655 134 134 GLN HA H 4.195 0.002 1 656 134 134 GLN C C 175.176 0.006 1 657 134 134 GLN CA C 55.700 0.038 1 658 134 134 GLN N N 122.083 0.000 1 659 135 135 ASP H H 8.356 0.002 1 660 135 135 ASP HA H 4.626 0.000 1 661 135 135 ASP C C 174.532 0.007 1 662 135 135 ASP CA C 52.829 0.009 1 663 135 135 ASP N N 119.635 0.000 1 664 136 136 TYR H H 8.141 0.001 1 665 136 136 TYR HA H 4.537 0.002 1 666 136 136 TYR C C 175.154 0.010 1 667 136 136 TYR CA C 57.893 0.035 1 668 136 136 TYR N N 121.011 0.000 1 669 137 137 GLU H H 8.123 0.000 1 670 137 137 GLU N N 123.953 0.000 1 671 138 138 PRO HA H 4.332 0.005 1 672 138 138 PRO C C 176.782 0.003 1 673 138 138 PRO CA C 62.907 0.035 1 674 139 139 GLU H H 8.475 0.001 1 675 139 139 GLU HA H 4.319 0.000 1 676 139 139 GLU C C 175.741 0.004 1 677 139 139 GLU CA C 55.569 0.000 1 678 139 139 GLU N N 120.579 0.000 1 679 140 140 ALA H H 8.538 0.001 1 680 140 140 ALA HA H 4.338 0.000 1 681 140 140 ALA CA C 51.540 0.000 1 682 140 140 ALA N N 126.916 0.000 1 stop_ save_ save_assigned_chem_shif_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_2.36 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.141 0.001 1 2 1 1 MET C C 171.905 0.004 1 3 1 1 MET CA C 54.960 0.030 1 4 2 2 ASP H H 8.999 0.001 1 5 2 2 ASP HA H 4.796 0.002 1 6 2 2 ASP C C 174.663 0.005 1 7 2 2 ASP CA C 52.746 0.013 1 8 2 2 ASP N N 122.988 0.000 1 9 3 3 VAL H H 8.344 0.001 1 10 3 3 VAL HA H 4.037 0.000 1 11 3 3 VAL C C 175.760 0.001 1 12 3 3 VAL CA C 62.499 0.000 1 13 3 3 VAL N N 121.461 0.000 1 14 4 4 PHE H H 8.376 0.002 1 15 4 4 PHE HA H 4.604 0.002 1 16 4 4 PHE C C 175.722 0.000 1 17 4 4 PHE CA C 57.888 0.031 1 18 4 4 PHE N N 124.108 0.000 1 19 5 5 MET H H 8.258 0.001 1 20 5 5 MET HA H 4.413 0.003 1 21 5 5 MET C C 175.863 0.000 1 22 5 5 MET CA C 55.212 0.056 1 23 5 5 MET N N 122.727 0.000 1 24 6 6 LYS H H 8.347 0.001 1 25 6 6 LYS HA H 4.207 0.002 1 26 6 6 LYS C C 177.161 0.001 1 27 6 6 LYS CA C 56.901 0.029 1 28 6 6 LYS N N 123.092 0.000 1 29 7 7 GLY H H 8.492 0.001 1 30 7 7 GLY HA2 H 3.940 0.000 1 31 7 7 GLY HA3 H 3.940 0.000 1 32 7 7 GLY C C 174.212 0.002 1 33 7 7 GLY CA C 45.294 0.000 1 34 7 7 GLY N N 110.178 0.000 1 35 8 8 LEU H H 8.142 0.001 1 36 8 8 LEU HA H 4.386 0.000 1 37 8 8 LEU C C 177.716 0.003 1 38 8 8 LEU CA C 55.120 0.028 1 39 8 8 LEU N N 121.731 0.000 1 40 9 9 SER H H 8.394 0.000 1 41 9 9 SER HA H 4.415 0.004 1 42 9 9 SER C C 174.738 0.002 1 43 9 9 SER CA C 58.357 0.032 1 44 9 9 SER N N 116.961 0.000 1 45 10 10 LYS H H 8.475 0.001 1 46 10 10 LYS HA H 4.352 0.000 1 47 10 10 LYS C C 176.764 0.003 1 48 10 10 LYS CA C 56.548 0.000 1 49 10 10 LYS N N 123.830 0.000 1 50 11 11 ALA H H 8.339 0.000 1 51 11 11 ALA HA H 4.251 0.000 1 52 11 11 ALA C C 178.134 0.000 1 53 11 11 ALA CA C 52.804 0.000 1 54 11 11 ALA N N 124.907 0.000 1 55 12 12 LYS H H 8.367 0.000 1 56 12 12 LYS HA H 4.268 0.000 1 57 12 12 LYS C C 176.880 0.004 1 58 12 12 LYS CA C 56.467 0.000 1 59 12 12 LYS N N 120.830 0.000 1 60 13 13 GLU H H 8.431 0.001 1 61 13 13 GLU C C 176.710 0.000 1 62 13 13 GLU CA C 56.179 0.000 1 63 13 13 GLU N N 121.571 0.000 1 64 14 14 GLY H H 8.515 0.002 1 65 14 14 GLY C C 174.110 0.000 1 66 14 14 GLY CA C 45.293 0.000 1 67 14 14 GLY N N 110.346 0.000 1 68 15 15 VAL H H 8.052 0.000 1 69 15 15 VAL HA H 4.072 0.000 1 70 15 15 VAL C C 176.730 0.012 1 71 15 15 VAL CA C 62.811 0.000 1 72 15 15 VAL N N 120.366 0.000 1 73 16 16 VAL H H 8.351 0.002 1 74 16 16 VAL HA H 4.041 0.000 1 75 16 16 VAL C C 176.283 0.000 1 76 16 16 VAL CA C 62.699 0.000 1 77 16 16 VAL N N 125.368 0.000 1 78 17 17 ALA H H 8.501 0.001 1 79 17 17 ALA HA H 4.243 0.000 1 80 17 17 ALA C C 178.006 0.001 1 81 17 17 ALA CA C 52.768 0.000 1 82 17 17 ALA N N 128.203 0.000 1 83 18 18 ALA H H 8.356 0.002 1 84 18 18 ALA HA H 4.222 0.000 1 85 18 18 ALA C C 178.085 0.002 1 86 18 18 ALA CA C 52.793 0.000 1 87 18 18 ALA N N 123.482 0.000 1 88 19 19 ALA H H 8.298 0.000 1 89 19 19 ALA HA H 4.266 0.000 1 90 19 19 ALA C C 178.271 0.001 1 91 19 19 ALA CA C 52.896 0.000 1 92 19 19 ALA N N 122.957 0.000 1 93 20 20 GLU H H 8.298 0.001 1 94 20 20 GLU C C 176.465 0.000 1 95 20 20 GLU CA C 56.047 0.000 1 96 20 20 GLU N N 119.477 0.000 1 97 21 21 LYS H H 8.384 0.000 1 98 21 21 LYS HA H 4.347 0.000 1 99 21 21 LYS C C 177.132 0.001 1 100 21 21 LYS CA C 56.696 0.000 1 101 21 21 LYS N N 122.565 0.000 1 102 22 22 THR H H 8.222 0.001 1 103 22 22 THR HA H 4.300 0.000 1 104 22 22 THR C C 174.729 0.006 1 105 22 22 THR CA C 62.149 0.000 1 106 22 22 THR N N 115.639 0.000 1 107 23 23 LYS H H 8.469 0.001 1 108 23 23 LYS HA H 4.287 0.000 1 109 23 23 LYS C C 176.806 0.012 1 110 23 23 LYS CA C 56.781 0.000 1 111 23 23 LYS N N 123.992 0.000 1 112 24 24 GLN H H 8.516 0.002 1 113 24 24 GLN HA H 4.302 0.000 1 114 24 24 GLN C C 176.675 0.006 1 115 24 24 GLN CA C 56.179 0.000 1 116 24 24 GLN N N 121.916 0.000 1 117 25 25 GLY H H 8.511 0.002 1 118 25 25 GLY HA2 H 3.999 0.000 1 119 25 25 GLY HA3 H 3.999 0.000 1 120 25 25 GLY C C 174.317 0.002 1 121 25 25 GLY CA C 45.338 0.000 1 122 25 25 GLY N N 110.548 0.000 1 123 26 26 VAL H H 8.092 0.001 1 124 26 26 VAL HA H 4.083 0.000 1 125 26 26 VAL C C 176.408 0.001 1 126 26 26 VAL CA C 62.592 0.000 1 127 26 26 VAL N N 120.025 0.000 1 128 27 27 ALA H H 8.485 0.001 1 129 27 27 ALA HA H 4.294 0.000 1 130 27 27 ALA C C 178.107 0.003 1 131 27 27 ALA CA C 52.777 0.000 1 132 27 27 ALA N N 127.542 0.000 1 133 28 28 GLU H H 8.390 0.001 1 134 28 28 GLU HA H 4.297 0.000 1 135 28 28 GLU C C 176.176 0.007 1 136 28 28 GLU CA C 55.926 0.000 1 137 28 28 GLU N N 120.082 0.000 1 138 29 29 ALA H H 8.383 0.000 1 139 29 29 ALA HA H 4.262 0.000 1 140 29 29 ALA C C 177.697 0.003 1 141 29 29 ALA CA C 52.616 0.000 1 142 29 29 ALA N N 125.376 0.000 1 143 30 30 ALA H H 8.353 0.000 1 144 30 30 ALA HA H 4.290 0.000 1 145 30 30 ALA C C 178.543 0.001 1 146 30 30 ALA CA C 52.809 0.000 1 147 30 30 ALA N N 123.479 0.000 1 148 31 31 GLY H H 8.404 0.001 1 149 31 31 GLY HA2 H 3.934 0.000 1 150 31 31 GLY HA3 H 3.934 0.000 1 151 31 31 GLY C C 174.296 0.004 1 152 31 31 GLY CA C 45.318 0.000 1 153 31 31 GLY N N 108.020 0.000 1 154 32 32 LYS H H 8.230 0.001 1 155 32 32 LYS HA H 4.406 0.001 1 156 32 32 LYS C C 177.101 0.001 1 157 32 32 LYS CA C 56.304 0.023 1 158 32 32 LYS N N 120.833 0.000 1 159 33 33 THR H H 8.267 0.002 1 160 33 33 THR HA H 4.310 0.000 1 161 33 33 THR C C 174.613 0.001 1 162 33 33 THR CA C 62.029 0.000 1 163 33 33 THR N N 115.762 0.000 1 164 34 34 LYS H H 8.518 0.001 1 165 34 34 LYS C C 176.516 0.000 1 166 34 34 LYS CA C 56.474 0.000 1 167 34 34 LYS N N 124.204 0.000 1 168 35 35 GLU H H 8.458 0.001 1 169 35 35 GLU HA H 4.340 0.000 1 170 35 35 GLU C C 176.519 0.002 1 171 35 35 GLU CA C 55.964 0.000 1 172 35 35 GLU N N 121.776 0.000 1 173 36 36 GLY H H 8.514 0.002 1 174 36 36 GLY HA2 H 3.955 0.000 1 175 36 36 GLY HA3 H 3.955 0.000 1 176 36 36 GLY C C 173.984 0.003 1 177 36 36 GLY CA C 45.214 0.000 1 178 36 36 GLY N N 110.467 0.000 1 179 37 37 VAL H H 8.052 0.000 1 180 37 37 VAL HA H 4.070 0.000 1 181 37 37 VAL C C 176.066 0.003 1 182 37 37 VAL CA C 62.377 0.000 1 183 37 37 VAL N N 119.687 0.000 1 184 38 38 LEU H H 8.363 0.001 1 185 38 38 LEU HA H 4.341 0.000 1 186 38 38 LEU C C 176.714 0.004 1 187 38 38 LEU CA C 54.931 0.015 1 188 38 38 LEU N N 126.000 0.000 1 189 39 39 TYR H H 8.351 0.001 1 190 39 39 TYR HA H 4.567 0.002 1 191 39 39 TYR C C 175.628 0.002 1 192 39 39 TYR CA C 57.936 0.027 1 193 39 39 TYR N N 122.751 0.000 1 194 40 40 VAL H H 8.141 0.000 1 195 40 40 VAL HA H 4.052 0.000 1 196 40 40 VAL C C 176.161 0.000 1 197 40 40 VAL CA C 62.189 0.000 1 198 40 40 VAL N N 123.853 0.000 1 199 41 41 GLY H H 8.091 0.001 1 200 41 41 GLY HA2 H 3.930 0.000 1 201 41 41 GLY HA3 H 3.930 0.000 1 202 41 41 GLY C C 174.005 0.001 1 203 41 41 GLY CA C 45.153 0.000 1 204 41 41 GLY N N 112.306 0.000 1 205 42 42 SER H H 8.324 0.001 1 206 42 42 SER HA H 4.441 0.002 1 207 42 42 SER C C 174.968 0.001 1 208 42 42 SER CA C 58.376 0.028 1 209 42 42 SER N N 115.672 0.000 1 210 43 43 LYS H H 8.579 0.000 1 211 43 43 LYS HA H 4.401 0.001 1 212 43 43 LYS C C 176.980 0.003 1 213 43 43 LYS CA C 56.505 0.047 1 214 43 43 LYS N N 123.631 0.000 1 215 44 44 THR H H 8.206 0.000 1 216 44 44 THR HA H 4.295 0.000 1 217 44 44 THR C C 174.564 0.005 1 218 44 44 THR CA C 62.058 0.000 1 219 44 44 THR N N 115.638 0.000 1 220 45 45 LYS H H 8.472 0.002 1 221 45 45 LYS HA H 4.296 0.000 1 222 45 45 LYS C C 176.520 0.000 1 223 45 45 LYS CA C 56.454 0.000 1 224 45 45 LYS N N 124.247 0.000 1 225 46 46 GLU H H 8.466 0.000 1 226 46 46 GLU HA H 4.341 0.000 1 227 46 46 GLU C C 176.520 0.003 1 228 46 46 GLU CA C 55.966 0.000 1 229 46 46 GLU N N 121.934 0.000 1 230 47 47 GLY H H 8.515 0.002 1 231 47 47 GLY HA2 H 3.910 0.000 1 232 47 47 GLY HA3 H 3.910 0.000 1 233 47 47 GLY C C 173.797 0.006 1 234 47 47 GLY CA C 45.145 0.000 1 235 47 47 GLY N N 110.501 0.000 1 236 48 48 VAL H H 8.067 0.001 1 237 48 48 VAL HA H 4.092 0.000 1 238 48 48 VAL C C 176.197 0.002 1 239 48 48 VAL CA C 62.275 0.000 1 240 48 48 VAL N N 120.021 0.000 1 241 49 49 VAL H H 8.383 0.000 1 242 49 49 VAL HA H 4.060 0.000 1 243 49 49 VAL C C 175.995 0.003 1 244 49 49 VAL CA C 62.263 0.000 1 245 49 49 VAL N N 125.376 0.000 1 246 50 50 HIS H H 8.802 0.001 1 247 50 50 HIS HA H 4.738 0.003 1 248 50 50 HIS C C 174.722 0.002 1 249 50 50 HIS CA C 55.112 0.031 1 250 50 50 HIS N N 123.565 0.000 1 251 51 51 GLY H H 8.558 0.002 1 252 51 51 GLY HA2 H 4.001 0.000 1 253 51 51 GLY HA3 H 4.001 0.000 1 254 51 51 GLY C C 173.762 0.003 1 255 51 51 GLY CA C 45.045 0.000 1 256 51 51 GLY N N 110.793 0.000 1 257 52 52 VAL H H 8.200 0.002 1 258 52 52 VAL HA H 4.150 0.003 1 259 52 52 VAL C C 176.040 0.000 1 260 52 52 VAL CA C 61.999 0.047 1 261 52 52 VAL N N 119.841 0.000 1 262 53 53 ALA H H 8.588 0.000 1 263 53 53 ALA HA H 4.413 0.001 1 264 53 53 ALA C C 177.931 0.004 1 265 53 53 ALA CA C 52.433 0.028 1 266 53 53 ALA N N 128.566 0.000 1 267 54 54 THR H H 8.269 0.002 1 268 54 54 THR HA H 4.320 0.000 1 269 54 54 THR C C 174.661 0.001 1 270 54 54 THR CA C 61.862 0.000 1 271 54 54 THR N N 115.035 0.000 1 272 55 55 VAL H H 8.328 0.000 1 273 55 55 VAL C C 175.978 0.000 1 274 55 55 VAL CA C 62.515 0.000 1 275 55 55 VAL N N 123.318 0.000 1 276 56 56 ALA H H 8.505 0.001 1 277 56 56 ALA HA H 4.281 0.000 1 278 56 56 ALA C C 177.921 0.003 1 279 56 56 ALA CA C 52.616 0.000 1 280 56 56 ALA N N 127.995 0.000 1 281 57 57 GLU H H 8.376 0.001 1 282 57 57 GLU HA H 4.302 0.000 1 283 57 57 GLU C C 176.415 0.006 1 284 57 57 GLU CA C 55.909 0.000 1 285 57 57 GLU N N 120.295 0.000 1 286 58 58 LYS H H 8.505 0.001 1 287 58 58 LYS HA H 4.343 0.000 1 288 58 58 LYS C C 177.037 0.002 1 289 58 58 LYS CA C 56.680 0.000 1 290 58 58 LYS N N 122.959 0.000 1 291 59 59 THR H H 8.250 0.001 1 292 59 59 THR HA H 4.283 0.000 1 293 59 59 THR C C 174.595 0.002 1 294 59 59 THR CA C 62.186 0.000 1 295 59 59 THR N N 115.989 0.000 1 296 60 60 LYS H H 8.437 0.000 1 297 60 60 LYS HA H 4.292 0.000 1 298 60 60 LYS C C 176.651 0.000 1 299 60 60 LYS CA C 56.588 0.000 1 300 60 60 LYS N N 123.927 0.000 1 301 61 61 GLU H H 8.415 0.000 1 302 61 61 GLU C C 175.978 0.000 1 303 61 61 GLU CA C 55.941 0.000 1 304 61 61 GLU N N 121.784 0.000 1 305 62 62 GLN H H 8.506 0.001 1 306 62 62 GLN HA H 4.343 0.000 1 307 62 62 GLN C C 175.938 0.003 1 308 62 62 GLN CA C 55.804 0.000 1 309 62 62 GLN N N 122.358 0.000 1 310 63 63 VAL H H 8.387 0.001 1 311 63 63 VAL HA H 4.197 0.000 1 312 63 63 VAL C C 176.374 0.002 1 313 63 63 VAL CA C 62.343 0.044 1 314 63 63 VAL N N 122.206 0.000 1 315 64 64 THR H H 8.378 0.001 1 316 64 64 THR HA H 4.366 0.000 1 317 64 64 THR C C 174.055 0.004 1 318 64 64 THR CA C 61.759 0.000 1 319 64 64 THR N N 118.364 0.000 1 320 65 65 ASN H H 8.605 0.001 1 321 65 65 ASN HA H 4.780 0.000 1 322 65 65 ASN C C 175.294 0.000 1 323 65 65 ASN CA C 53.098 0.021 1 324 65 65 ASN N N 121.985 0.000 1 325 66 66 VAL H H 8.328 0.002 1 326 66 66 VAL HA H 4.122 0.002 1 327 66 66 VAL C C 176.916 0.002 1 328 66 66 VAL CA C 62.667 0.045 1 329 66 66 VAL N N 120.953 0.000 1 330 67 67 GLY H H 8.633 0.001 1 331 67 67 GLY HA2 H 3.971 0.000 1 332 67 67 GLY HA3 H 3.971 0.000 1 333 67 67 GLY C C 174.700 0.000 1 334 67 67 GLY CA C 45.348 0.000 1 335 67 67 GLY N N 112.846 0.000 1 336 68 68 GLY H H 8.304 0.002 1 337 68 68 GLY HA2 H 3.939 0.000 1 338 68 68 GLY HA3 H 3.939 0.000 1 339 68 68 GLY C C 173.762 0.003 1 340 68 68 GLY CA C 45.014 0.000 1 341 68 68 GLY N N 108.932 0.000 1 342 69 69 ALA H H 8.242 0.001 1 343 69 69 ALA HA H 4.347 0.004 1 344 69 69 ALA C C 177.725 0.002 1 345 69 69 ALA CA C 52.299 0.023 1 346 69 69 ALA N N 123.878 0.000 1 347 70 70 VAL H H 8.307 0.001 1 348 70 70 VAL HA H 4.067 0.000 1 349 70 70 VAL C C 176.410 0.001 1 350 70 70 VAL CA C 62.429 0.000 1 351 70 70 VAL N N 120.785 0.000 1 352 71 71 VAL H H 8.488 0.001 1 353 71 71 VAL HA H 4.216 0.002 1 354 71 71 VAL C C 176.353 0.004 1 355 71 71 VAL CA C 62.121 0.027 1 356 71 71 VAL N N 125.787 0.000 1 357 72 72 THR H H 8.399 0.000 1 358 72 72 THR HA H 4.364 0.000 1 359 72 72 THR C C 174.947 0.001 1 360 72 72 THR CA C 61.914 0.000 1 361 72 72 THR N N 118.976 0.000 1 362 73 73 GLY H H 8.512 0.000 1 363 73 73 GLY HA2 H 3.987 0.000 1 364 73 73 GLY HA3 H 3.987 0.000 1 365 73 73 GLY C C 174.044 0.003 1 366 73 73 GLY CA C 45.237 0.000 1 367 73 73 GLY N N 111.506 0.000 1 368 74 74 VAL H H 8.167 0.000 1 369 74 74 VAL HA H 4.184 0.001 1 370 74 74 VAL C C 176.640 0.001 1 371 74 74 VAL CA C 62.326 0.026 1 372 74 74 VAL N N 119.715 0.000 1 373 75 75 THR H H 8.386 0.001 1 374 75 75 THR HA H 4.308 0.000 1 375 75 75 THR C C 174.129 0.001 1 376 75 75 THR CA C 61.996 0.000 1 377 75 75 THR N N 119.318 0.000 1 378 76 76 ALA H H 8.459 0.001 1 379 76 76 ALA HA H 4.338 0.000 1 380 76 76 ALA C C 177.673 0.004 1 381 76 76 ALA CA C 52.470 0.009 1 382 76 76 ALA N N 127.627 0.000 1 383 77 77 VAL H H 8.234 0.002 1 384 77 77 VAL HA H 4.039 0.000 1 385 77 77 VAL C C 176.113 0.003 1 386 77 77 VAL CA C 62.322 0.000 1 387 77 77 VAL N N 120.369 0.000 1 388 78 78 ALA H H 8.493 0.001 1 389 78 78 ALA HA H 4.284 0.000 1 390 78 78 ALA C C 177.755 0.003 1 391 78 78 ALA CA C 52.538 0.000 1 392 78 78 ALA N N 128.376 0.000 1 393 79 79 GLN H H 8.477 0.001 1 394 79 79 GLN HA H 4.288 0.000 1 395 79 79 GLN C C 176.082 0.004 1 396 79 79 GLN CA C 55.702 0.000 1 397 79 79 GLN N N 120.516 0.000 1 398 80 80 LYS H H 8.510 0.001 1 399 80 80 LYS HA H 4.352 0.000 1 400 80 80 LYS C C 176.761 0.002 1 401 80 80 LYS CA C 56.429 0.000 1 402 80 80 LYS N N 123.322 0.000 1 403 81 81 THR H H 8.341 0.001 1 404 81 81 THR HA H 4.337 0.000 1 405 81 81 THR C C 174.452 0.002 1 406 81 81 THR CA C 61.993 0.000 1 407 81 81 THR N N 116.986 0.000 1 408 82 82 VAL H H 8.391 0.000 1 409 82 82 VAL HA H 4.115 0.000 1 410 82 82 VAL C C 176.159 0.000 1 411 82 82 VAL CA C 62.329 0.000 1 412 82 82 VAL N N 123.567 0.000 1 413 83 83 GLU H H 8.589 0.001 1 414 83 83 GLU HA H 4.363 0.000 1 415 83 83 GLU C C 176.566 0.003 1 416 83 83 GLU CA C 55.888 0.000 1 417 83 83 GLU N N 124.886 0.000 1 418 84 84 GLY H H 8.584 0.002 1 419 84 84 GLY HA2 H 3.956 0.000 1 420 84 84 GLY HA3 H 3.956 0.000 1 421 84 84 GLY C C 174.061 0.004 1 422 84 84 GLY CA C 45.178 0.000 1 423 84 84 GLY N N 110.928 0.000 1 424 85 85 ALA H H 8.380 0.000 1 425 85 85 ALA HA H 4.305 0.000 1 426 85 85 ALA C C 178.596 0.008 1 427 85 85 ALA CA C 52.945 0.000 1 428 85 85 ALA N N 124.101 0.000 1 429 86 86 GLY H H 8.585 0.002 1 430 86 86 GLY HA2 H 3.971 0.000 1 431 86 86 GLY HA3 H 3.971 0.000 1 432 86 86 GLY C C 174.356 0.006 1 433 86 86 GLY CA C 45.258 0.000 1 434 86 86 GLY N N 108.394 0.000 1 435 87 87 SER H H 8.212 0.000 1 436 87 87 SER HA H 4.460 0.004 1 437 87 87 SER C C 174.747 0.000 1 438 87 87 SER CA C 58.401 0.044 1 439 87 87 SER N N 115.837 0.000 1 440 88 88 ILE H H 8.262 0.000 1 441 88 88 ILE HA H 4.160 0.001 1 442 88 88 ILE C C 176.358 0.002 1 443 88 88 ILE CA C 61.313 0.054 1 444 88 88 ILE N N 122.948 0.000 1 445 89 89 ALA H H 8.422 0.001 1 446 89 89 ALA HA H 4.249 0.000 1 447 89 89 ALA C C 177.659 0.002 1 448 89 89 ALA CA C 52.654 0.000 1 449 89 89 ALA N N 128.232 0.000 1 450 90 90 ALA H H 8.287 0.001 1 451 90 90 ALA HA H 4.247 0.000 1 452 90 90 ALA C C 177.808 0.000 1 453 90 90 ALA CA C 52.511 0.000 1 454 90 90 ALA N N 123.484 0.000 1 455 91 91 ALA H H 8.363 0.000 1 456 91 91 ALA HA H 4.354 0.003 1 457 91 91 ALA C C 178.222 0.002 1 458 91 91 ALA CA C 52.639 0.016 1 459 91 91 ALA N N 123.547 0.000 1 460 92 92 THR H H 8.169 0.000 1 461 92 92 THR HA H 4.300 0.000 1 462 92 92 THR C C 175.234 0.001 1 463 92 92 THR CA C 62.051 0.000 1 464 92 92 THR N N 112.858 0.000 1 465 93 93 GLY H H 8.377 0.000 1 466 93 93 GLY HA2 H 3.913 0.000 1 467 93 93 GLY HA3 H 3.913 0.000 1 468 93 93 GLY C C 173.745 0.002 1 469 93 93 GLY CA C 45.159 0.000 1 470 93 93 GLY N N 110.778 0.000 1 471 94 94 PHE H H 8.158 0.000 1 472 94 94 PHE HA H 4.601 0.005 1 473 94 94 PHE C C 175.649 0.003 1 474 94 94 PHE CA C 57.874 0.017 1 475 94 94 PHE N N 120.437 0.000 1 476 95 95 VAL H H 8.103 0.000 1 477 95 95 VAL HA H 4.000 0.000 1 478 95 95 VAL C C 175.673 0.000 1 479 95 95 VAL CA C 62.123 0.000 1 480 95 95 VAL N N 123.747 0.000 1 481 96 96 LYS H H 8.438 0.002 1 482 96 96 LYS HA H 4.207 0.003 1 483 96 96 LYS C C 176.661 0.002 1 484 96 96 LYS CA C 56.487 0.016 1 485 96 96 LYS N N 126.252 0.000 1 486 97 97 LYS H H 8.477 0.001 1 487 97 97 LYS HA H 4.273 0.000 1 488 97 97 LYS C C 176.563 0.001 1 489 97 97 LYS CA C 56.617 0.000 1 490 97 97 LYS N N 123.193 0.000 1 491 98 98 ASP H H 8.588 0.001 1 492 98 98 ASP HA H 4.668 0.002 1 493 98 98 ASP C C 175.142 0.006 1 494 98 98 ASP CA C 53.062 0.022 1 495 98 98 ASP N N 119.967 0.000 1 496 99 99 GLN H H 8.448 0.000 1 497 99 99 GLN HA H 4.316 0.000 1 498 99 99 GLN C C 175.928 0.001 1 499 99 99 GLN CA C 55.862 0.000 1 500 99 99 GLN N N 121.089 0.000 1 501 100 100 LEU H H 8.314 0.000 1 502 100 100 LEU HA H 4.341 0.002 1 503 100 100 LEU C C 177.972 0.002 1 504 100 100 LEU CA C 55.346 0.020 1 505 100 100 LEU N N 123.237 0.000 1 506 101 101 GLY H H 8.463 0.002 1 507 101 101 GLY HA2 H 3.940 0.000 1 508 101 101 GLY HA3 H 3.940 0.000 1 509 101 101 GLY C C 174.240 0.001 1 510 101 101 GLY CA C 45.266 0.000 1 511 101 101 GLY N N 109.722 0.000 1 512 102 102 LYS H H 8.264 0.001 1 513 102 102 LYS HA H 4.302 0.000 1 514 102 102 LYS C C 176.616 0.003 1 515 102 102 LYS CA C 56.424 0.000 1 516 102 102 LYS N N 120.812 0.000 1 517 103 103 ASN H H 8.633 0.001 1 518 103 103 ASN HA H 4.676 0.002 1 519 103 103 ASN C C 175.361 0.002 1 520 103 103 ASN CA C 53.372 0.012 1 521 103 103 ASN N N 119.435 0.000 1 522 104 104 GLU H H 8.398 0.001 1 523 104 104 GLU HA H 4.368 0.000 1 524 104 104 GLU C C 176.104 0.001 1 525 104 104 GLU CA C 55.887 0.000 1 526 104 104 GLU N N 120.614 0.000 1 527 105 105 GLU H H 8.430 0.001 1 528 105 105 GLU C C 176.519 0.000 1 529 105 105 GLU CA C 56.092 0.000 1 530 105 105 GLU N N 121.012 0.000 1 531 106 106 GLY H H 8.480 0.002 1 532 106 106 GLY HA2 H 3.930 0.000 1 533 106 106 GLY HA3 H 3.930 0.000 1 534 106 106 GLY C C 173.383 0.000 1 535 106 106 GLY CA C 44.977 0.000 1 536 106 106 GLY N N 110.203 0.000 1 537 107 107 ALA H H 8.189 0.001 1 538 107 107 ALA N N 124.900 0.000 1 539 108 108 PRO HA H 4.420 0.000 1 540 108 108 PRO C C 177.103 0.001 1 541 108 108 PRO CA C 63.180 0.038 1 542 109 109 GLN H H 8.603 0.001 1 543 109 109 GLN HA H 4.287 0.000 1 544 109 109 GLN C C 176.048 0.011 1 545 109 109 GLN CA C 55.758 0.000 1 546 109 109 GLN N N 120.803 0.000 1 547 110 110 GLU H H 8.500 0.000 1 548 110 110 GLU HA H 4.366 0.000 1 549 110 110 GLU C C 176.515 0.003 1 550 110 110 GLU CA C 55.917 0.000 1 551 110 110 GLU N N 121.646 0.000 1 552 111 111 GLY H H 8.516 0.001 1 553 111 111 GLY HA2 H 3.939 0.000 1 554 111 111 GLY HA3 H 3.939 0.000 1 555 111 111 GLY C C 174.089 0.004 1 556 111 111 GLY CA C 45.356 0.000 1 557 111 111 GLY N N 110.217 0.000 1 558 112 112 ILE H H 8.038 0.001 1 559 112 112 ILE HA H 4.159 0.002 1 560 112 112 ILE C C 176.553 0.003 1 561 112 112 ILE CA C 61.289 0.029 1 562 112 112 ILE N N 119.958 0.000 1 563 113 113 LEU H H 8.383 0.002 1 564 113 113 LEU HA H 4.346 0.006 1 565 113 113 LEU C C 177.364 0.003 1 566 113 113 LEU CA C 55.261 0.007 1 567 113 113 LEU N N 125.774 0.000 1 568 114 114 GLU H H 8.343 0.001 1 569 114 114 GLU HA H 4.353 0.000 1 570 114 114 GLU C C 175.600 0.004 1 571 114 114 GLU CA C 55.739 0.000 1 572 114 114 GLU N N 120.706 0.000 1 573 115 115 ASP H H 8.455 0.001 1 574 115 115 ASP HA H 4.700 0.002 1 575 115 115 ASP C C 174.654 0.005 1 576 115 115 ASP CA C 52.757 0.024 1 577 115 115 ASP N N 119.437 0.000 1 578 116 116 MET H H 8.258 0.001 1 579 116 116 MET N N 121.848 0.000 1 580 117 117 PRO HA H 4.447 0.002 1 581 117 117 PRO C C 176.736 0.005 1 582 117 117 PRO CA C 62.892 0.002 1 583 118 118 VAL H H 8.339 0.002 1 584 118 118 VAL HA H 4.037 0.000 1 585 118 118 VAL C C 175.772 0.011 1 586 118 118 VAL CA C 62.306 0.000 1 587 118 118 VAL N N 120.689 0.000 1 588 119 119 ASP H H 8.689 0.001 1 589 119 119 ASP N N 123.551 0.000 1 590 120 120 PRO HA H 4.358 0.002 1 591 120 120 PRO C C 176.836 0.004 1 592 120 120 PRO CA C 63.600 0.045 1 593 121 121 ASP H H 8.389 0.000 1 594 121 121 ASP HA H 4.670 0.000 1 595 121 121 ASP C C 174.992 0.000 1 596 121 121 ASP CA C 53.066 0.025 1 597 121 121 ASP N N 117.580 0.000 1 598 122 122 ASN H H 8.262 0.001 1 599 122 122 ASN HA H 4.697 0.000 1 600 122 122 ASN C C 175.373 0.000 1 601 122 122 ASN CA C 53.431 0.007 1 602 122 122 ASN N N 118.868 0.000 1 603 123 123 GLU H H 8.234 0.002 1 604 123 123 GLU HA H 4.287 0.000 1 605 123 123 GLU C C 175.932 0.006 1 606 123 123 GLU CA C 56.140 0.000 1 607 123 123 GLU N N 120.369 0.000 1 608 124 124 ALA H H 8.293 0.001 1 609 124 124 ALA HA H 4.224 0.000 1 610 124 124 ALA C C 177.485 0.003 1 611 124 124 ALA CA C 52.829 0.000 1 612 124 124 ALA N N 124.110 0.000 1 613 125 125 TYR H H 8.018 0.000 1 614 125 125 TYR HA H 4.510 0.003 1 615 125 125 TYR C C 175.483 0.002 1 616 125 125 TYR CA C 57.831 0.038 1 617 125 125 TYR N N 118.632 0.000 1 618 126 126 GLU H H 8.017 0.001 1 619 126 126 GLU HA H 4.309 0.004 1 620 126 126 GLU C C 175.163 0.001 1 621 126 126 GLU CA C 55.067 0.033 1 622 126 126 GLU N N 122.177 0.000 1 623 127 127 MET H H 8.305 0.000 1 624 127 127 MET N N 122.799 0.000 1 625 128 128 PRO HA H 4.359 0.001 1 626 128 128 PRO C C 177.146 0.000 1 627 128 128 PRO CA C 63.571 0.016 1 628 129 129 SER H H 8.403 0.001 1 629 129 129 SER HA H 4.368 0.005 1 630 129 129 SER C C 174.969 0.003 1 631 129 129 SER CA C 58.587 0.030 1 632 129 129 SER N N 115.248 0.000 1 633 130 130 GLU H H 8.398 0.001 1 634 130 130 GLU HA H 4.382 0.000 1 635 130 130 GLU C C 176.129 0.002 1 636 130 130 GLU CA C 55.907 0.000 1 637 130 130 GLU N N 121.895 0.000 1 638 131 131 GLU H H 8.332 0.001 1 639 131 131 GLU HA H 4.286 0.000 1 640 131 131 GLU C C 176.528 0.003 1 641 131 131 GLU CA C 56.233 0.000 1 642 131 131 GLU N N 120.666 0.000 1 643 132 132 GLY H H 8.419 0.001 1 644 132 132 GLY HA2 H 3.879 0.000 1 645 132 132 GLY HA3 H 3.879 0.000 1 646 132 132 GLY C C 174.049 0.000 1 647 132 132 GLY CA C 45.266 0.000 1 648 132 132 GLY N N 109.823 0.000 1 649 133 133 TYR H H 8.080 0.001 1 650 133 133 TYR HA H 4.506 0.001 1 651 133 133 TYR C C 175.940 0.004 1 652 133 133 TYR CA C 58.203 0.032 1 653 133 133 TYR N N 120.192 0.000 1 654 134 134 GLN H H 8.336 0.001 1 655 134 134 GLN HA H 4.197 0.002 1 656 134 134 GLN C C 175.170 0.005 1 657 134 134 GLN CA C 55.694 0.030 1 658 134 134 GLN N N 122.073 0.000 1 659 135 135 ASP H H 8.357 0.000 1 660 135 135 ASP HA H 4.626 0.000 1 661 135 135 ASP C C 174.536 0.003 1 662 135 135 ASP CA C 52.838 0.004 1 663 135 135 ASP N N 119.647 0.000 1 664 136 136 TYR H H 8.142 0.001 1 665 136 136 TYR HA H 4.537 0.002 1 666 136 136 TYR C C 175.153 0.009 1 667 136 136 TYR CA C 57.893 0.035 1 668 136 136 TYR N N 121.008 0.000 1 669 137 137 GLU H H 8.123 0.000 1 670 137 137 GLU N N 123.969 0.000 1 671 138 138 PRO HA H 4.332 0.006 1 672 138 138 PRO C C 176.782 0.003 1 673 138 138 PRO CA C 62.915 0.039 1 674 139 139 GLU H H 8.475 0.001 1 675 139 139 GLU HA H 4.319 0.000 1 676 139 139 GLU C C 175.734 0.003 1 677 139 139 GLU CA C 55.620 0.000 1 678 139 139 GLU N N 120.595 0.000 1 679 140 140 ALA H H 8.531 0.002 1 680 140 140 ALA HA H 4.332 0.000 1 681 140 140 ALA CA C 51.586 0.000 1 682 140 140 ALA N N 127.007 0.000 1 stop_ save_ save_assigned_chem_shif_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_2.61 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.142 0.002 1 2 1 1 MET C C 171.904 0.003 1 3 1 1 MET CA C 54.954 0.023 1 4 2 2 ASP H H 8.991 0.001 1 5 2 2 ASP HA H 4.793 0.002 1 6 2 2 ASP C C 174.728 0.000 1 7 2 2 ASP CA C 52.844 0.002 1 8 2 2 ASP N N 123.097 0.000 1 9 3 3 VAL H H 8.345 0.001 1 10 3 3 VAL HA H 4.037 0.000 1 11 3 3 VAL C C 175.770 0.002 1 12 3 3 VAL CA C 62.499 0.000 1 13 3 3 VAL N N 121.417 0.000 1 14 4 4 PHE H H 8.380 0.001 1 15 4 4 PHE HA H 4.606 0.003 1 16 4 4 PHE C C 175.731 0.001 1 17 4 4 PHE CA C 57.882 0.028 1 18 4 4 PHE N N 124.096 0.000 1 19 5 5 MET H H 8.262 0.001 1 20 5 5 MET HA H 4.412 0.004 1 21 5 5 MET C C 175.873 0.004 1 22 5 5 MET CA C 55.212 0.048 1 23 5 5 MET N N 122.727 0.000 1 24 6 6 LYS H H 8.347 0.003 1 25 6 6 LYS HA H 4.208 0.002 1 26 6 6 LYS C C 177.165 0.001 1 27 6 6 LYS CA C 56.901 0.026 1 28 6 6 LYS N N 123.064 0.000 1 29 7 7 GLY H H 8.492 0.001 1 30 7 7 GLY HA2 H 3.940 0.000 1 31 7 7 GLY HA3 H 3.940 0.000 1 32 7 7 GLY C C 174.213 0.001 1 33 7 7 GLY CA C 45.294 0.000 1 34 7 7 GLY N N 110.178 0.000 1 35 8 8 LEU H H 8.141 0.002 1 36 8 8 LEU HA H 4.385 0.001 1 37 8 8 LEU C C 177.716 0.003 1 38 8 8 LEU CA C 55.127 0.025 1 39 8 8 LEU N N 121.728 0.000 1 40 9 9 SER H H 8.394 0.002 1 41 9 9 SER HA H 4.417 0.003 1 42 9 9 SER C C 174.739 0.009 1 43 9 9 SER CA C 58.347 0.030 1 44 9 9 SER N N 116.960 0.000 1 45 10 10 LYS H H 8.476 0.000 1 46 10 10 LYS HA H 4.352 0.000 1 47 10 10 LYS C C 176.763 0.004 1 48 10 10 LYS CA C 56.548 0.000 1 49 10 10 LYS N N 123.820 0.000 1 50 11 11 ALA H H 8.339 0.000 1 51 11 11 ALA HA H 4.251 0.000 1 52 11 11 ALA C C 178.132 0.002 1 53 11 11 ALA CA C 52.804 0.000 1 54 11 11 ALA N N 124.906 0.000 1 55 12 12 LYS H H 8.368 0.001 1 56 12 12 LYS HA H 4.266 0.000 1 57 12 12 LYS C C 176.880 0.001 1 58 12 12 LYS CA C 56.467 0.000 1 59 12 12 LYS N N 120.808 0.000 1 60 13 13 GLU H H 8.432 0.001 1 61 13 13 GLU C C 176.719 0.000 1 62 13 13 GLU CA C 56.179 0.000 1 63 13 13 GLU N N 121.576 0.000 1 64 14 14 GLY H H 8.515 0.002 1 65 14 14 GLY C C 174.106 0.000 1 66 14 14 GLY CA C 45.293 0.000 1 67 14 14 GLY N N 110.346 0.000 1 68 15 15 VAL H H 8.052 0.001 1 69 15 15 VAL HA H 4.075 0.000 1 70 15 15 VAL C C 176.727 0.010 1 71 15 15 VAL CA C 62.811 0.000 1 72 15 15 VAL N N 120.361 0.000 1 73 16 16 VAL H H 8.350 0.002 1 74 16 16 VAL HA H 4.043 0.000 1 75 16 16 VAL C C 176.278 0.001 1 76 16 16 VAL CA C 62.695 0.000 1 77 16 16 VAL N N 125.352 0.000 1 78 17 17 ALA H H 8.503 0.001 1 79 17 17 ALA HA H 4.246 0.000 1 80 17 17 ALA C C 178.002 0.003 1 81 17 17 ALA CA C 52.768 0.000 1 82 17 17 ALA N N 128.246 0.000 1 83 18 18 ALA H H 8.356 0.001 1 84 18 18 ALA HA H 4.221 0.000 1 85 18 18 ALA C C 178.084 0.001 1 86 18 18 ALA CA C 52.793 0.000 1 87 18 18 ALA N N 123.482 0.000 1 88 19 19 ALA H H 8.298 0.001 1 89 19 19 ALA HA H 4.265 0.000 1 90 19 19 ALA C C 178.271 0.001 1 91 19 19 ALA CA C 52.896 0.000 1 92 19 19 ALA N N 122.965 0.000 1 93 20 20 GLU H H 8.299 0.001 1 94 20 20 GLU C C 176.474 0.000 1 95 20 20 GLU CA C 56.072 0.000 1 96 20 20 GLU N N 119.482 0.000 1 97 21 21 LYS H H 8.385 0.001 1 98 21 21 LYS HA H 4.347 0.000 1 99 21 21 LYS C C 177.132 0.001 1 100 21 21 LYS CA C 56.696 0.000 1 101 21 21 LYS N N 122.553 0.000 1 102 22 22 THR H H 8.221 0.002 1 103 22 22 THR HA H 4.299 0.000 1 104 22 22 THR C C 174.726 0.007 1 105 22 22 THR CA C 62.174 0.000 1 106 22 22 THR N N 115.626 0.000 1 107 23 23 LYS H H 8.469 0.000 1 108 23 23 LYS HA H 4.287 0.000 1 109 23 23 LYS C C 176.806 0.009 1 110 23 23 LYS CA C 56.769 0.000 1 111 23 23 LYS N N 123.974 0.000 1 112 24 24 GLN H H 8.517 0.000 1 113 24 24 GLN HA H 4.302 0.000 1 114 24 24 GLN C C 176.673 0.006 1 115 24 24 GLN CA C 56.179 0.000 1 116 24 24 GLN N N 121.914 0.000 1 117 25 25 GLY H H 8.512 0.001 1 118 25 25 GLY HA2 H 3.999 0.000 1 119 25 25 GLY HA3 H 3.999 0.000 1 120 25 25 GLY C C 174.317 0.001 1 121 25 25 GLY CA C 45.338 0.000 1 122 25 25 GLY N N 110.548 0.000 1 123 26 26 VAL H H 8.092 0.001 1 124 26 26 VAL HA H 4.083 0.000 1 125 26 26 VAL C C 176.408 0.001 1 126 26 26 VAL CA C 62.592 0.000 1 127 26 26 VAL N N 120.025 0.000 1 128 27 27 ALA H H 8.489 0.001 1 129 27 27 ALA HA H 4.294 0.000 1 130 27 27 ALA C C 178.105 0.001 1 131 27 27 ALA CA C 52.777 0.000 1 132 27 27 ALA N N 127.530 0.000 1 133 28 28 GLU H H 8.390 0.001 1 134 28 28 GLU HA H 4.304 0.000 1 135 28 28 GLU C C 176.185 0.003 1 136 28 28 GLU CA C 55.926 0.000 1 137 28 28 GLU N N 120.095 0.000 1 138 29 29 ALA H H 8.383 0.001 1 139 29 29 ALA HA H 4.262 0.000 1 140 29 29 ALA C C 177.698 0.004 1 141 29 29 ALA CA C 52.616 0.000 1 142 29 29 ALA N N 125.365 0.000 1 143 30 30 ALA H H 8.354 0.001 1 144 30 30 ALA HA H 4.289 0.000 1 145 30 30 ALA C C 178.545 0.002 1 146 30 30 ALA CA C 52.809 0.000 1 147 30 30 ALA N N 123.492 0.000 1 148 31 31 GLY H H 8.404 0.000 1 149 31 31 GLY HA2 H 3.934 0.000 1 150 31 31 GLY HA3 H 3.934 0.000 1 151 31 31 GLY C C 174.296 0.005 1 152 31 31 GLY CA C 45.318 0.000 1 153 31 31 GLY N N 108.015 0.000 1 154 32 32 LYS H H 8.230 0.001 1 155 32 32 LYS HA H 4.409 0.004 1 156 32 32 LYS C C 177.103 0.000 1 157 32 32 LYS CA C 56.281 0.011 1 158 32 32 LYS N N 120.827 0.000 1 159 33 33 THR H H 8.268 0.002 1 160 33 33 THR HA H 4.312 0.000 1 161 33 33 THR C C 174.634 0.017 1 162 33 33 THR CA C 62.027 0.000 1 163 33 33 THR N N 115.752 0.000 1 164 34 34 LYS H H 8.519 0.000 1 165 34 34 LYS C C 176.516 0.000 1 166 34 34 LYS CA C 56.474 0.000 1 167 34 34 LYS N N 124.194 0.000 1 168 35 35 GLU H H 8.459 0.001 1 169 35 35 GLU HA H 4.340 0.000 1 170 35 35 GLU C C 176.524 0.002 1 171 35 35 GLU CA C 55.964 0.000 1 172 35 35 GLU N N 121.776 0.000 1 173 36 36 GLY H H 8.514 0.002 1 174 36 36 GLY HA2 H 3.955 0.000 1 175 36 36 GLY HA3 H 3.955 0.000 1 176 36 36 GLY C C 173.986 0.002 1 177 36 36 GLY CA C 45.214 0.000 1 178 36 36 GLY N N 110.467 0.000 1 179 37 37 VAL H H 8.051 0.001 1 180 37 37 VAL HA H 4.071 0.000 1 181 37 37 VAL C C 176.058 0.008 1 182 37 37 VAL CA C 62.377 0.000 1 183 37 37 VAL N N 119.681 0.000 1 184 38 38 LEU H H 8.363 0.001 1 185 38 38 LEU HA H 4.344 0.002 1 186 38 38 LEU C C 176.714 0.004 1 187 38 38 LEU CA C 54.929 0.007 1 188 38 38 LEU N N 126.001 0.000 1 189 39 39 TYR H H 8.351 0.003 1 190 39 39 TYR HA H 4.567 0.002 1 191 39 39 TYR C C 175.629 0.001 1 192 39 39 TYR CA C 57.936 0.027 1 193 39 39 TYR N N 122.740 0.000 1 194 40 40 VAL H H 8.142 0.000 1 195 40 40 VAL HA H 4.052 0.000 1 196 40 40 VAL C C 176.162 0.002 1 197 40 40 VAL CA C 62.177 0.000 1 198 40 40 VAL N N 123.835 0.000 1 199 41 41 GLY H H 8.092 0.001 1 200 41 41 GLY HA2 H 3.930 0.000 1 201 41 41 GLY HA3 H 3.930 0.000 1 202 41 41 GLY C C 174.006 0.000 1 203 41 41 GLY CA C 45.144 0.000 1 204 41 41 GLY N N 112.306 0.000 1 205 42 42 SER H H 8.324 0.001 1 206 42 42 SER HA H 4.444 0.001 1 207 42 42 SER C C 174.973 0.005 1 208 42 42 SER CA C 58.368 0.020 1 209 42 42 SER N N 115.669 0.000 1 210 43 43 LYS H H 8.580 0.001 1 211 43 43 LYS HA H 4.405 0.001 1 212 43 43 LYS C C 176.975 0.001 1 213 43 43 LYS CA C 56.517 0.034 1 214 43 43 LYS N N 123.639 0.000 1 215 44 44 THR H H 8.207 0.000 1 216 44 44 THR HA H 4.295 0.000 1 217 44 44 THR C C 174.565 0.004 1 218 44 44 THR CA C 62.054 0.000 1 219 44 44 THR N N 115.635 0.000 1 220 45 45 LYS H H 8.474 0.000 1 221 45 45 LYS HA H 4.298 0.000 1 222 45 45 LYS C C 176.533 0.013 1 223 45 45 LYS CA C 56.454 0.000 1 224 45 45 LYS N N 124.258 0.000 1 225 46 46 GLU H H 8.467 0.000 1 226 46 46 GLU HA H 4.341 0.000 1 227 46 46 GLU C C 176.524 0.002 1 228 46 46 GLU CA C 55.966 0.000 1 229 46 46 GLU N N 121.943 0.000 1 230 47 47 GLY H H 8.515 0.002 1 231 47 47 GLY HA2 H 3.910 0.000 1 232 47 47 GLY HA3 H 3.910 0.000 1 233 47 47 GLY C C 173.800 0.009 1 234 47 47 GLY CA C 45.145 0.000 1 235 47 47 GLY N N 110.501 0.000 1 236 48 48 VAL H H 8.067 0.001 1 237 48 48 VAL HA H 4.092 0.000 1 238 48 48 VAL C C 176.191 0.004 1 239 48 48 VAL CA C 62.275 0.000 1 240 48 48 VAL N N 120.012 0.000 1 241 49 49 VAL H H 8.383 0.001 1 242 49 49 VAL HA H 4.060 0.000 1 243 49 49 VAL C C 175.995 0.003 1 244 49 49 VAL CA C 62.263 0.000 1 245 49 49 VAL N N 125.365 0.000 1 246 50 50 HIS H H 8.803 0.000 1 247 50 50 HIS HA H 4.742 0.002 1 248 50 50 HIS C C 174.722 0.001 1 249 50 50 HIS CA C 55.127 0.024 1 250 50 50 HIS N N 123.566 0.000 1 251 51 51 GLY H H 8.557 0.003 1 252 51 51 GLY HA2 H 4.001 0.000 1 253 51 51 GLY HA3 H 4.001 0.000 1 254 51 51 GLY C C 173.764 0.002 1 255 51 51 GLY CA C 45.045 0.000 1 256 51 51 GLY N N 110.793 0.000 1 257 52 52 VAL H H 8.201 0.004 1 258 52 52 VAL HA H 4.152 0.004 1 259 52 52 VAL C C 176.038 0.000 1 260 52 52 VAL CA C 61.993 0.043 1 261 52 52 VAL N N 119.830 0.000 1 262 53 53 ALA H H 8.588 0.000 1 263 53 53 ALA HA H 4.412 0.003 1 264 53 53 ALA C C 177.932 0.006 1 265 53 53 ALA CA C 52.423 0.025 1 266 53 53 ALA N N 128.560 0.000 1 267 54 54 THR H H 8.271 0.001 1 268 54 54 THR HA H 4.326 0.000 1 269 54 54 THR C C 174.653 0.013 1 270 54 54 THR CA C 61.843 0.000 1 271 54 54 THR N N 115.024 0.000 1 272 55 55 VAL H H 8.328 0.000 1 273 55 55 VAL C C 175.986 0.000 1 274 55 55 VAL CA C 62.515 0.000 1 275 55 55 VAL N N 123.305 0.000 1 276 56 56 ALA H H 8.505 0.001 1 277 56 56 ALA HA H 4.285 0.000 1 278 56 56 ALA C C 177.923 0.000 1 279 56 56 ALA CA C 52.616 0.000 1 280 56 56 ALA N N 127.986 0.000 1 281 57 57 GLU H H 8.377 0.001 1 282 57 57 GLU HA H 4.302 0.000 1 283 57 57 GLU C C 176.417 0.004 1 284 57 57 GLU CA C 55.909 0.000 1 285 57 57 GLU N N 120.312 0.000 1 286 58 58 LYS H H 8.506 0.000 1 287 58 58 LYS HA H 4.347 0.000 1 288 58 58 LYS C C 177.036 0.000 1 289 58 58 LYS CA C 56.680 0.000 1 290 58 58 LYS N N 122.957 0.000 1 291 59 59 THR H H 8.250 0.001 1 292 59 59 THR HA H 4.283 0.000 1 293 59 59 THR C C 174.597 0.000 1 294 59 59 THR CA C 62.186 0.000 1 295 59 59 THR N N 115.983 0.000 1 296 60 60 LYS H H 8.438 0.001 1 297 60 60 LYS HA H 4.292 0.000 1 298 60 60 LYS C C 176.651 0.001 1 299 60 60 LYS CA C 56.588 0.000 1 300 60 60 LYS N N 123.918 0.000 1 301 61 61 GLU H H 8.415 0.000 1 302 61 61 GLU C C 175.986 0.000 1 303 61 61 GLU CA C 55.941 0.000 1 304 61 61 GLU N N 121.781 0.000 1 305 62 62 GLN H H 8.505 0.001 1 306 62 62 GLN HA H 4.343 0.000 1 307 62 62 GLN C C 175.938 0.002 1 308 62 62 GLN CA C 55.802 0.000 1 309 62 62 GLN N N 122.358 0.000 1 310 63 63 VAL H H 8.386 0.002 1 311 63 63 VAL HA H 4.198 0.001 1 312 63 63 VAL C C 176.374 0.002 1 313 63 63 VAL CA C 62.344 0.042 1 314 63 63 VAL N N 122.202 0.000 1 315 64 64 THR H H 8.376 0.001 1 316 64 64 THR HA H 4.373 0.000 1 317 64 64 THR C C 174.058 0.004 1 318 64 64 THR CA C 61.741 0.000 1 319 64 64 THR N N 118.356 0.000 1 320 65 65 ASN H H 8.606 0.000 1 321 65 65 ASN HA H 4.780 0.000 1 322 65 65 ASN C C 175.294 0.000 1 323 65 65 ASN CA C 53.089 0.039 1 324 65 65 ASN N N 121.985 0.000 1 325 66 66 VAL H H 8.328 0.001 1 326 66 66 VAL HA H 4.126 0.002 1 327 66 66 VAL C C 176.917 0.001 1 328 66 66 VAL CA C 62.659 0.044 1 329 66 66 VAL N N 120.947 0.000 1 330 67 67 GLY H H 8.634 0.001 1 331 67 67 GLY HA2 H 3.973 0.000 1 332 67 67 GLY HA3 H 3.973 0.000 1 333 67 67 GLY C C 174.702 0.000 1 334 67 67 GLY CA C 45.341 0.000 1 335 67 67 GLY N N 112.841 0.000 1 336 68 68 GLY H H 8.306 0.002 1 337 68 68 GLY HA2 H 3.939 0.000 1 338 68 68 GLY HA3 H 3.939 0.000 1 339 68 68 GLY C C 173.763 0.004 1 340 68 68 GLY CA C 45.011 0.000 1 341 68 68 GLY N N 108.929 0.000 1 342 69 69 ALA H H 8.243 0.000 1 343 69 69 ALA HA H 4.348 0.004 1 344 69 69 ALA C C 177.719 0.007 1 345 69 69 ALA CA C 52.294 0.017 1 346 69 69 ALA N N 123.878 0.000 1 347 70 70 VAL H H 8.307 0.000 1 348 70 70 VAL HA H 4.067 0.000 1 349 70 70 VAL C C 176.410 0.001 1 350 70 70 VAL CA C 62.429 0.000 1 351 70 70 VAL N N 120.779 0.000 1 352 71 71 VAL H H 8.488 0.001 1 353 71 71 VAL HA H 4.217 0.004 1 354 71 71 VAL C C 176.353 0.004 1 355 71 71 VAL CA C 62.128 0.020 1 356 71 71 VAL N N 125.776 0.000 1 357 72 72 THR H H 8.400 0.001 1 358 72 72 THR HA H 4.361 0.000 1 359 72 72 THR C C 174.950 0.001 1 360 72 72 THR CA C 61.914 0.000 1 361 72 72 THR N N 118.963 0.000 1 362 73 73 GLY H H 8.514 0.001 1 363 73 73 GLY HA2 H 3.987 0.000 1 364 73 73 GLY HA3 H 3.987 0.000 1 365 73 73 GLY C C 174.046 0.004 1 366 73 73 GLY CA C 45.237 0.000 1 367 73 73 GLY N N 111.514 0.000 1 368 74 74 VAL H H 8.167 0.000 1 369 74 74 VAL HA H 4.184 0.001 1 370 74 74 VAL C C 176.640 0.001 1 371 74 74 VAL CA C 62.326 0.026 1 372 74 74 VAL N N 119.715 0.000 1 373 75 75 THR H H 8.386 0.001 1 374 75 75 THR HA H 4.311 0.000 1 375 75 75 THR C C 174.130 0.003 1 376 75 75 THR CA C 61.996 0.000 1 377 75 75 THR N N 119.303 0.000 1 378 76 76 ALA H H 8.459 0.000 1 379 76 76 ALA HA H 4.338 0.000 1 380 76 76 ALA C C 177.673 0.003 1 381 76 76 ALA CA C 52.467 0.006 1 382 76 76 ALA N N 127.619 0.000 1 383 77 77 VAL H H 8.234 0.002 1 384 77 77 VAL HA H 4.039 0.000 1 385 77 77 VAL C C 176.113 0.002 1 386 77 77 VAL CA C 62.322 0.000 1 387 77 77 VAL N N 120.369 0.000 1 388 78 78 ALA H H 8.493 0.000 1 389 78 78 ALA HA H 4.284 0.000 1 390 78 78 ALA C C 177.755 0.002 1 391 78 78 ALA CA C 52.520 0.000 1 392 78 78 ALA N N 128.362 0.000 1 393 79 79 GLN H H 8.478 0.001 1 394 79 79 GLN HA H 4.288 0.000 1 395 79 79 GLN C C 176.083 0.000 1 396 79 79 GLN CA C 55.702 0.000 1 397 79 79 GLN N N 120.491 0.000 1 398 80 80 LYS H H 8.509 0.000 1 399 80 80 LYS HA H 4.352 0.000 1 400 80 80 LYS C C 176.759 0.000 1 401 80 80 LYS CA C 56.429 0.000 1 402 80 80 LYS N N 123.327 0.000 1 403 81 81 THR H H 8.339 0.000 1 404 81 81 THR HA H 4.335 0.000 1 405 81 81 THR C C 174.450 0.003 1 406 81 81 THR CA C 61.993 0.000 1 407 81 81 THR N N 116.975 0.000 1 408 82 82 VAL H H 8.389 0.002 1 409 82 82 VAL HA H 4.115 0.000 1 410 82 82 VAL C C 176.159 0.000 1 411 82 82 VAL CA C 62.319 0.000 1 412 82 82 VAL N N 123.567 0.000 1 413 83 83 GLU H H 8.591 0.001 1 414 83 83 GLU HA H 4.362 0.000 1 415 83 83 GLU C C 176.575 0.012 1 416 83 83 GLU CA C 55.894 0.000 1 417 83 83 GLU N N 124.886 0.000 1 418 84 84 GLY H H 8.584 0.000 1 419 84 84 GLY HA2 H 3.956 0.000 1 420 84 84 GLY HA3 H 3.956 0.000 1 421 84 84 GLY C C 174.062 0.005 1 422 84 84 GLY CA C 45.173 0.000 1 423 84 84 GLY N N 110.928 0.000 1 424 85 85 ALA H H 8.381 0.000 1 425 85 85 ALA HA H 4.307 0.000 1 426 85 85 ALA C C 178.601 0.001 1 427 85 85 ALA CA C 52.939 0.000 1 428 85 85 ALA N N 124.096 0.000 1 429 86 86 GLY H H 8.585 0.002 1 430 86 86 GLY HA2 H 3.971 0.000 1 431 86 86 GLY HA3 H 3.971 0.000 1 432 86 86 GLY C C 174.356 0.008 1 433 86 86 GLY CA C 45.258 0.000 1 434 86 86 GLY N N 108.389 0.000 1 435 87 87 SER H H 8.213 0.000 1 436 87 87 SER HA H 4.463 0.000 1 437 87 87 SER C C 174.748 0.003 1 438 87 87 SER CA C 58.409 0.032 1 439 87 87 SER N N 115.834 0.000 1 440 88 88 ILE H H 8.263 0.000 1 441 88 88 ILE HA H 4.165 0.000 1 442 88 88 ILE C C 176.358 0.002 1 443 88 88 ILE CA C 61.304 0.045 1 444 88 88 ILE N N 122.945 0.000 1 445 89 89 ALA H H 8.423 0.001 1 446 89 89 ALA HA H 4.249 0.000 1 447 89 89 ALA C C 177.658 0.003 1 448 89 89 ALA CA C 52.658 0.000 1 449 89 89 ALA N N 128.231 0.000 1 450 90 90 ALA H H 8.288 0.002 1 451 90 90 ALA HA H 4.249 0.000 1 452 90 90 ALA C C 177.810 0.003 1 453 90 90 ALA CA C 52.511 0.000 1 454 90 90 ALA N N 123.476 0.000 1 455 91 91 ALA H H 8.362 0.000 1 456 91 91 ALA HA H 4.357 0.000 1 457 91 91 ALA C C 178.221 0.003 1 458 91 91 ALA CA C 52.632 0.009 1 459 91 91 ALA N N 123.547 0.000 1 460 92 92 THR H H 8.168 0.000 1 461 92 92 THR HA H 4.303 0.000 1 462 92 92 THR C C 175.238 0.004 1 463 92 92 THR CA C 62.049 0.000 1 464 92 92 THR N N 112.846 0.000 1 465 93 93 GLY H H 8.378 0.001 1 466 93 93 GLY HA2 H 3.913 0.000 1 467 93 93 GLY HA3 H 3.913 0.000 1 468 93 93 GLY C C 173.744 0.001 1 469 93 93 GLY CA C 45.159 0.000 1 470 93 93 GLY N N 110.763 0.000 1 471 94 94 PHE H H 8.158 0.001 1 472 94 94 PHE HA H 4.603 0.006 1 473 94 94 PHE C C 175.642 0.001 1 474 94 94 PHE CA C 57.873 0.018 1 475 94 94 PHE N N 120.435 0.000 1 476 95 95 VAL H H 8.105 0.002 1 477 95 95 VAL HA H 4.000 0.000 1 478 95 95 VAL C C 175.661 0.004 1 479 95 95 VAL CA C 62.125 0.000 1 480 95 95 VAL N N 123.742 0.000 1 481 96 96 LYS H H 8.440 0.001 1 482 96 96 LYS HA H 4.209 0.004 1 483 96 96 LYS C C 176.653 0.002 1 484 96 96 LYS CA C 56.482 0.007 1 485 96 96 LYS N N 126.264 0.000 1 486 97 97 LYS H H 8.480 0.001 1 487 97 97 LYS HA H 4.273 0.000 1 488 97 97 LYS C C 176.562 0.001 1 489 97 97 LYS CA C 56.605 0.000 1 490 97 97 LYS N N 123.210 0.000 1 491 98 98 ASP H H 8.585 0.001 1 492 98 98 ASP HA H 4.665 0.006 1 493 98 98 ASP C C 175.206 0.000 1 494 98 98 ASP CA C 53.130 0.007 1 495 98 98 ASP N N 120.024 0.000 1 496 99 99 GLN H H 8.449 0.001 1 497 99 99 GLN HA H 4.317 0.000 1 498 99 99 GLN C C 175.938 0.001 1 499 99 99 GLN CA C 55.862 0.000 1 500 99 99 GLN N N 121.056 0.000 1 501 100 100 LEU H H 8.314 0.001 1 502 100 100 LEU HA H 4.341 0.002 1 503 100 100 LEU C C 177.977 0.004 1 504 100 100 LEU CA C 55.341 0.016 1 505 100 100 LEU N N 123.210 0.000 1 506 101 101 GLY H H 8.465 0.002 1 507 101 101 GLY HA2 H 3.940 0.000 1 508 101 101 GLY HA3 H 3.940 0.000 1 509 101 101 GLY C C 174.242 0.003 1 510 101 101 GLY CA C 45.267 0.000 1 511 101 101 GLY N N 109.712 0.000 1 512 102 102 LYS H H 8.264 0.001 1 513 102 102 LYS HA H 4.302 0.000 1 514 102 102 LYS C C 176.616 0.003 1 515 102 102 LYS CA C 56.408 0.000 1 516 102 102 LYS N N 120.813 0.000 1 517 103 103 ASN H H 8.635 0.001 1 518 103 103 ASN HA H 4.678 0.006 1 519 103 103 ASN C C 175.365 0.004 1 520 103 103 ASN CA C 53.367 0.012 1 521 103 103 ASN N N 119.443 0.000 1 522 104 104 GLU H H 8.400 0.000 1 523 104 104 GLU HA H 4.368 0.000 1 524 104 104 GLU C C 176.102 0.007 1 525 104 104 GLU CA C 55.898 0.000 1 526 104 104 GLU N N 120.614 0.000 1 527 105 105 GLU H H 8.431 0.001 1 528 105 105 GLU C C 176.519 0.000 1 529 105 105 GLU CA C 56.092 0.000 1 530 105 105 GLU N N 121.015 0.000 1 531 106 106 GLY H H 8.480 0.002 1 532 106 106 GLY HA2 H 3.932 0.000 1 533 106 106 GLY HA3 H 3.932 0.000 1 534 106 106 GLY C C 173.384 0.001 1 535 106 106 GLY CA C 44.977 0.000 1 536 106 106 GLY N N 110.203 0.000 1 537 107 107 ALA H H 8.188 0.000 1 538 107 107 ALA N N 124.900 0.000 1 539 108 108 PRO HA H 4.422 0.003 1 540 108 108 PRO C C 177.105 0.000 1 541 108 108 PRO CA C 63.184 0.033 1 542 109 109 GLN H H 8.605 0.001 1 543 109 109 GLN HA H 4.287 0.000 1 544 109 109 GLN C C 176.048 0.011 1 545 109 109 GLN CA C 55.758 0.000 1 546 109 109 GLN N N 120.807 0.000 1 547 110 110 GLU H H 8.500 0.000 1 548 110 110 GLU HA H 4.366 0.000 1 549 110 110 GLU C C 176.511 0.001 1 550 110 110 GLU CA C 55.917 0.000 1 551 110 110 GLU N N 121.641 0.000 1 552 111 111 GLY H H 8.516 0.001 1 553 111 111 GLY HA2 H 3.939 0.000 1 554 111 111 GLY HA3 H 3.939 0.000 1 555 111 111 GLY C C 174.089 0.004 1 556 111 111 GLY CA C 45.356 0.000 1 557 111 111 GLY N N 110.217 0.000 1 558 112 112 ILE H H 8.038 0.001 1 559 112 112 ILE HA H 4.162 0.003 1 560 112 112 ILE C C 176.546 0.001 1 561 112 112 ILE CA C 61.273 0.014 1 562 112 112 ILE N N 119.959 0.000 1 563 113 113 LEU H H 8.386 0.001 1 564 113 113 LEU HA H 4.345 0.008 1 565 113 113 LEU C C 177.368 0.005 1 566 113 113 LEU CA C 55.257 0.003 1 567 113 113 LEU N N 125.782 0.000 1 568 114 114 GLU H H 8.344 0.001 1 569 114 114 GLU HA H 4.338 0.000 1 570 114 114 GLU C C 175.608 0.009 1 571 114 114 GLU CA C 55.739 0.000 1 572 114 114 GLU N N 120.696 0.000 1 573 115 115 ASP H H 8.456 0.000 1 574 115 115 ASP HA H 4.695 0.000 1 575 115 115 ASP C C 174.677 0.001 1 576 115 115 ASP CA C 52.778 0.023 1 577 115 115 ASP N N 119.471 0.000 1 578 116 116 MET H H 8.258 0.001 1 579 116 116 MET N N 121.848 0.000 1 580 117 117 PRO HA H 4.450 0.006 1 581 117 117 PRO C C 176.718 0.002 1 582 117 117 PRO CA C 62.898 0.009 1 583 118 118 VAL H H 8.339 0.002 1 584 118 118 VAL HA H 4.037 0.000 1 585 118 118 VAL C C 175.775 0.004 1 586 118 118 VAL CA C 62.289 0.000 1 587 118 118 VAL N N 120.688 0.000 1 588 119 119 ASP H H 8.684 0.001 1 589 119 119 ASP N N 123.640 0.000 1 590 120 120 PRO HA H 4.361 0.005 1 591 120 120 PRO C C 176.843 0.003 1 592 120 120 PRO CA C 63.604 0.041 1 593 121 121 ASP H H 8.392 0.001 1 594 121 121 ASP HA H 4.671 0.000 1 595 121 121 ASP C C 175.028 0.000 1 596 121 121 ASP CA C 53.130 0.007 1 597 121 121 ASP N N 117.605 0.000 1 598 122 122 ASN H H 8.258 0.001 1 599 122 122 ASN HA H 4.701 0.000 1 600 122 122 ASN C C 175.383 0.000 1 601 122 122 ASN CA C 53.407 0.008 1 602 122 122 ASN N N 118.863 0.000 1 603 123 123 GLU H H 8.242 0.001 1 604 123 123 GLU HA H 4.287 0.000 1 605 123 123 GLU C C 175.945 0.007 1 606 123 123 GLU CA C 56.165 0.000 1 607 123 123 GLU N N 120.359 0.000 1 608 124 124 ALA H H 8.292 0.002 1 609 124 124 ALA HA H 4.227 0.000 1 610 124 124 ALA C C 177.487 0.005 1 611 124 124 ALA CA C 52.818 0.000 1 612 124 124 ALA N N 124.094 0.000 1 613 125 125 TYR H H 8.017 0.000 1 614 125 125 TYR HA H 4.508 0.004 1 615 125 125 TYR C C 175.492 0.004 1 616 125 125 TYR CA C 57.819 0.027 1 617 125 125 TYR N N 118.619 0.000 1 618 126 126 GLU H H 8.019 0.001 1 619 126 126 GLU HA H 4.311 0.003 1 620 126 126 GLU C C 175.170 0.001 1 621 126 126 GLU CA C 55.072 0.038 1 622 126 126 GLU N N 122.166 0.000 1 623 127 127 MET H H 8.308 0.000 1 624 127 127 MET N N 122.816 0.000 1 625 128 128 PRO HA H 4.361 0.004 1 626 128 128 PRO C C 177.147 0.000 1 627 128 128 PRO CA C 63.574 0.011 1 628 129 129 SER H H 8.402 0.002 1 629 129 129 SER HA H 4.371 0.006 1 630 129 129 SER C C 174.972 0.002 1 631 129 129 SER CA C 58.570 0.019 1 632 129 129 SER N N 115.255 0.000 1 633 130 130 GLU H H 8.402 0.000 1 634 130 130 GLU HA H 4.382 0.000 1 635 130 130 GLU C C 176.130 0.001 1 636 130 130 GLU CA C 55.907 0.000 1 637 130 130 GLU N N 121.901 0.000 1 638 131 131 GLU H H 8.334 0.001 1 639 131 131 GLU HA H 4.286 0.000 1 640 131 131 GLU C C 176.536 0.003 1 641 131 131 GLU CA C 56.237 0.000 1 642 131 131 GLU N N 120.681 0.000 1 643 132 132 GLY H H 8.419 0.003 1 644 132 132 GLY HA2 H 3.881 0.000 1 645 132 132 GLY HA3 H 3.881 0.000 1 646 132 132 GLY C C 174.042 0.003 1 647 132 132 GLY CA C 45.266 0.000 1 648 132 132 GLY N N 109.833 0.000 1 649 133 133 TYR H H 8.080 0.002 1 650 133 133 TYR HA H 4.509 0.002 1 651 133 133 TYR C C 175.937 0.001 1 652 133 133 TYR CA C 58.193 0.010 1 653 133 133 TYR N N 120.192 0.000 1 654 134 134 GLN H H 8.337 0.000 1 655 134 134 GLN HA H 4.203 0.000 1 656 134 134 GLN C C 175.170 0.004 1 657 134 134 GLN CA C 55.694 0.031 1 658 134 134 GLN N N 122.073 0.000 1 659 135 135 ASP H H 8.355 0.000 1 660 135 135 ASP HA H 4.627 0.001 1 661 135 135 ASP C C 174.550 0.002 1 662 135 135 ASP CA C 52.862 0.006 1 663 135 135 ASP N N 119.689 0.000 1 664 136 136 TYR H H 8.142 0.002 1 665 136 136 TYR HA H 4.540 0.000 1 666 136 136 TYR C C 175.161 0.001 1 667 136 136 TYR CA C 57.893 0.035 1 668 136 136 TYR N N 121.013 0.000 1 669 137 137 GLU H H 8.125 0.001 1 670 137 137 GLU N N 123.984 0.000 1 671 138 138 PRO HA H 4.337 0.009 1 672 138 138 PRO C C 176.791 0.007 1 673 138 138 PRO CA C 62.924 0.023 1 674 139 139 GLU H H 8.478 0.001 1 675 139 139 GLU HA H 4.321 0.000 1 676 139 139 GLU C C 175.692 0.001 1 677 139 139 GLU CA C 55.640 0.000 1 678 139 139 GLU N N 120.645 0.000 1 679 140 140 ALA H H 8.507 0.001 1 680 140 140 ALA HA H 4.325 0.000 1 681 140 140 ALA CA C 51.689 0.000 1 682 140 140 ALA N N 127.204 0.000 1 stop_ save_ save_assigned_chem_shif_list_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_2.82 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.139 0.003 1 2 1 1 MET C C 171.900 0.001 1 3 1 1 MET CA C 54.952 0.020 1 4 2 2 ASP H H 8.981 0.001 1 5 2 2 ASP HA H 4.794 0.006 1 6 2 2 ASP C C 174.791 0.007 1 7 2 2 ASP CA C 52.918 0.007 1 8 2 2 ASP N N 123.198 0.000 1 9 3 3 VAL H H 8.344 0.002 1 10 3 3 VAL HA H 4.033 0.000 1 11 3 3 VAL C C 175.775 0.002 1 12 3 3 VAL CA C 62.499 0.000 1 13 3 3 VAL N N 121.387 0.000 1 14 4 4 PHE H H 8.381 0.002 1 15 4 4 PHE HA H 4.604 0.001 1 16 4 4 PHE C C 175.734 0.002 1 17 4 4 PHE CA C 57.891 0.029 1 18 4 4 PHE N N 124.073 0.000 1 19 5 5 MET H H 8.262 0.002 1 20 5 5 MET HA H 4.408 0.001 1 21 5 5 MET C C 175.875 0.000 1 22 5 5 MET CA C 55.212 0.048 1 23 5 5 MET N N 122.727 0.000 1 24 6 6 LYS H H 8.346 0.002 1 25 6 6 LYS HA H 4.203 0.005 1 26 6 6 LYS C C 177.170 0.003 1 27 6 6 LYS CA C 56.905 0.026 1 28 6 6 LYS N N 123.064 0.000 1 29 7 7 GLY H H 8.491 0.002 1 30 7 7 GLY HA2 H 3.940 0.000 1 31 7 7 GLY HA3 H 3.940 0.000 1 32 7 7 GLY C C 174.213 0.001 1 33 7 7 GLY CA C 45.294 0.000 1 34 7 7 GLY N N 110.178 0.000 1 35 8 8 LEU H H 8.139 0.003 1 36 8 8 LEU HA H 4.380 0.003 1 37 8 8 LEU C C 177.720 0.001 1 38 8 8 LEU CA C 55.127 0.025 1 39 8 8 LEU N N 121.723 0.000 1 40 9 9 SER H H 8.393 0.001 1 41 9 9 SER HA H 4.411 0.002 1 42 9 9 SER C C 174.736 0.006 1 43 9 9 SER CA C 58.358 0.023 1 44 9 9 SER N N 116.961 0.000 1 45 10 10 LYS H H 8.474 0.002 1 46 10 10 LYS HA H 4.352 0.000 1 47 10 10 LYS C C 176.762 0.005 1 48 10 10 LYS CA C 56.548 0.000 1 49 10 10 LYS N N 123.805 0.000 1 50 11 11 ALA H H 8.340 0.000 1 51 11 11 ALA HA H 4.241 0.000 1 52 11 11 ALA C C 178.120 0.010 1 53 11 11 ALA CA C 52.804 0.000 1 54 11 11 ALA N N 124.915 0.000 1 55 12 12 LYS H H 8.370 0.001 1 56 12 12 LYS HA H 4.267 0.000 1 57 12 12 LYS C C 176.882 0.001 1 58 12 12 LYS CA C 56.453 0.000 1 59 12 12 LYS N N 120.827 0.000 1 60 13 13 GLU H H 8.435 0.003 1 61 13 13 GLU C C 176.728 0.000 1 62 13 13 GLU CA C 56.197 0.000 1 63 13 13 GLU N N 121.604 0.000 1 64 14 14 GLY H H 8.513 0.002 1 65 14 14 GLY C C 174.108 0.000 1 66 14 14 GLY CA C 45.293 0.000 1 67 14 14 GLY N N 110.352 0.000 1 68 15 15 VAL H H 8.052 0.000 1 69 15 15 VAL HA H 4.070 0.000 1 70 15 15 VAL C C 176.718 0.013 1 71 15 15 VAL CA C 62.809 0.000 1 72 15 15 VAL N N 120.366 0.000 1 73 16 16 VAL H H 8.345 0.002 1 74 16 16 VAL HA H 4.040 0.000 1 75 16 16 VAL C C 176.282 0.001 1 76 16 16 VAL CA C 62.693 0.000 1 77 16 16 VAL N N 125.359 0.000 1 78 17 17 ALA H H 8.499 0.003 1 79 17 17 ALA HA H 4.244 0.000 1 80 17 17 ALA C C 178.007 0.007 1 81 17 17 ALA CA C 52.768 0.000 1 82 17 17 ALA N N 128.238 0.000 1 83 18 18 ALA H H 8.356 0.001 1 84 18 18 ALA HA H 4.221 0.000 1 85 18 18 ALA C C 178.084 0.001 1 86 18 18 ALA CA C 52.793 0.000 1 87 18 18 ALA N N 123.482 0.000 1 88 19 19 ALA H H 8.299 0.000 1 89 19 19 ALA HA H 4.265 0.000 1 90 19 19 ALA C C 178.278 0.002 1 91 19 19 ALA CA C 52.896 0.000 1 92 19 19 ALA N N 122.979 0.000 1 93 20 20 GLU H H 8.300 0.002 1 94 20 20 GLU C C 176.485 0.000 1 95 20 20 GLU CA C 56.072 0.000 1 96 20 20 GLU N N 119.491 0.000 1 97 21 21 LYS H H 8.382 0.002 1 98 21 21 LYS HA H 4.347 0.000 1 99 21 21 LYS C C 177.136 0.003 1 100 21 21 LYS CA C 56.740 0.000 1 101 21 21 LYS N N 122.553 0.000 1 102 22 22 THR H H 8.219 0.001 1 103 22 22 THR HA H 4.302 0.000 1 104 22 22 THR C C 174.726 0.007 1 105 22 22 THR CA C 62.174 0.000 1 106 22 22 THR N N 115.639 0.000 1 107 23 23 LYS H H 8.469 0.000 1 108 23 23 LYS HA H 4.281 0.000 1 109 23 23 LYS C C 176.810 0.010 1 110 23 23 LYS CA C 56.769 0.000 1 111 23 23 LYS N N 123.972 0.000 1 112 24 24 GLN H H 8.514 0.002 1 113 24 24 GLN HA H 4.302 0.000 1 114 24 24 GLN C C 176.673 0.005 1 115 24 24 GLN CA C 56.197 0.000 1 116 24 24 GLN N N 121.905 0.000 1 117 25 25 GLY H H 8.511 0.000 1 118 25 25 GLY HA2 H 3.999 0.000 1 119 25 25 GLY HA3 H 3.999 0.000 1 120 25 25 GLY C C 174.319 0.000 1 121 25 25 GLY CA C 45.338 0.000 1 122 25 25 GLY N N 110.548 0.000 1 123 26 26 VAL H H 8.091 0.003 1 124 26 26 VAL HA H 4.083 0.000 1 125 26 26 VAL C C 176.409 0.002 1 126 26 26 VAL CA C 62.592 0.000 1 127 26 26 VAL N N 120.010 0.000 1 128 27 27 ALA H H 8.487 0.001 1 129 27 27 ALA HA H 4.289 0.000 1 130 27 27 ALA C C 178.108 0.002 1 131 27 27 ALA CA C 52.773 0.000 1 132 27 27 ALA N N 127.485 0.000 1 133 28 28 GLU H H 8.392 0.001 1 134 28 28 GLU HA H 4.296 0.000 1 135 28 28 GLU C C 176.194 0.003 1 136 28 28 GLU CA C 55.928 0.000 1 137 28 28 GLU N N 120.101 0.000 1 138 29 29 ALA H H 8.380 0.003 1 139 29 29 ALA HA H 4.262 0.000 1 140 29 29 ALA C C 177.709 0.001 1 141 29 29 ALA CA C 52.616 0.000 1 142 29 29 ALA N N 125.368 0.000 1 143 30 30 ALA H H 8.354 0.001 1 144 30 30 ALA HA H 4.289 0.000 1 145 30 30 ALA C C 178.546 0.002 1 146 30 30 ALA CA C 52.811 0.000 1 147 30 30 ALA N N 123.492 0.000 1 148 31 31 GLY H H 8.401 0.002 1 149 31 31 GLY HA2 H 3.934 0.000 1 150 31 31 GLY HA3 H 3.934 0.000 1 151 31 31 GLY C C 174.296 0.004 1 152 31 31 GLY CA C 45.313 0.000 1 153 31 31 GLY N N 108.006 0.000 1 154 32 32 LYS H H 8.225 0.002 1 155 32 32 LYS HA H 4.406 0.001 1 156 32 32 LYS C C 177.102 0.000 1 157 32 32 LYS CA C 56.291 0.001 1 158 32 32 LYS N N 120.823 0.000 1 159 33 33 THR H H 8.267 0.001 1 160 33 33 THR HA H 4.312 0.000 1 161 33 33 THR C C 174.635 0.016 1 162 33 33 THR CA C 62.027 0.000 1 163 33 33 THR N N 115.752 0.000 1 164 34 34 LYS H H 8.519 0.000 1 165 34 34 LYS C C 176.516 0.000 1 166 34 34 LYS CA C 56.474 0.000 1 167 34 34 LYS N N 124.194 0.000 1 168 35 35 GLU H H 8.461 0.000 1 169 35 35 GLU HA H 4.340 0.000 1 170 35 35 GLU C C 176.528 0.007 1 171 35 35 GLU CA C 55.964 0.000 1 172 35 35 GLU N N 121.785 0.000 1 173 36 36 GLY H H 8.513 0.001 1 174 36 36 GLY HA2 H 3.955 0.000 1 175 36 36 GLY HA3 H 3.955 0.000 1 176 36 36 GLY C C 173.986 0.001 1 177 36 36 GLY CA C 45.214 0.000 1 178 36 36 GLY N N 110.474 0.000 1 179 37 37 VAL H H 8.051 0.001 1 180 37 37 VAL HA H 4.071 0.000 1 181 37 37 VAL C C 176.058 0.008 1 182 37 37 VAL CA C 62.377 0.000 1 183 37 37 VAL N N 119.697 0.000 1 184 38 38 LEU H H 8.362 0.002 1 185 38 38 LEU HA H 4.344 0.002 1 186 38 38 LEU C C 176.709 0.002 1 187 38 38 LEU CA C 54.929 0.007 1 188 38 38 LEU N N 125.996 0.000 1 189 39 39 TYR H H 8.349 0.002 1 190 39 39 TYR HA H 4.567 0.002 1 191 39 39 TYR C C 175.629 0.001 1 192 39 39 TYR CA C 57.934 0.025 1 193 39 39 TYR N N 122.740 0.000 1 194 40 40 VAL H H 8.140 0.003 1 195 40 40 VAL HA H 4.052 0.000 1 196 40 40 VAL C C 176.161 0.002 1 197 40 40 VAL CA C 62.171 0.000 1 198 40 40 VAL N N 123.845 0.000 1 199 41 41 GLY H H 8.091 0.002 1 200 41 41 GLY HA2 H 3.929 0.000 1 201 41 41 GLY HA3 H 3.929 0.000 1 202 41 41 GLY C C 173.998 0.005 1 203 41 41 GLY CA C 45.136 0.000 1 204 41 41 GLY N N 112.312 0.000 1 205 42 42 SER H H 8.322 0.002 1 206 42 42 SER HA H 4.439 0.003 1 207 42 42 SER C C 174.964 0.002 1 208 42 42 SER CA C 58.359 0.031 1 209 42 42 SER N N 115.670 0.000 1 210 43 43 LYS H H 8.577 0.002 1 211 43 43 LYS HA H 4.399 0.003 1 212 43 43 LYS C C 176.979 0.002 1 213 43 43 LYS CA C 56.499 0.033 1 214 43 43 LYS N N 123.638 0.000 1 215 44 44 THR H H 8.206 0.002 1 216 44 44 THR HA H 4.290 0.000 1 217 44 44 THR C C 174.560 0.002 1 218 44 44 THR CA C 62.054 0.000 1 219 44 44 THR N N 115.645 0.000 1 220 45 45 LYS H H 8.474 0.000 1 221 45 45 LYS HA H 4.297 0.000 1 222 45 45 LYS C C 176.526 0.008 1 223 45 45 LYS CA C 56.454 0.000 1 224 45 45 LYS N N 124.248 0.000 1 225 46 46 GLU H H 8.469 0.002 1 226 46 46 GLU HA H 4.341 0.000 1 227 46 46 GLU C C 176.529 0.006 1 228 46 46 GLU CA C 55.972 0.000 1 229 46 46 GLU N N 121.967 0.000 1 230 47 47 GLY H H 8.513 0.001 1 231 47 47 GLY HA2 H 3.910 0.000 1 232 47 47 GLY HA3 H 3.910 0.000 1 233 47 47 GLY C C 173.799 0.008 1 234 47 47 GLY CA C 45.145 0.000 1 235 47 47 GLY N N 110.561 0.000 1 236 48 48 VAL H H 8.066 0.000 1 237 48 48 VAL HA H 4.092 0.000 1 238 48 48 VAL C C 176.196 0.001 1 239 48 48 VAL CA C 62.271 0.000 1 240 48 48 VAL N N 120.003 0.000 1 241 49 49 VAL H H 8.381 0.001 1 242 49 49 VAL HA H 4.060 0.000 1 243 49 49 VAL C C 175.994 0.003 1 244 49 49 VAL CA C 62.258 0.000 1 245 49 49 VAL N N 125.368 0.000 1 246 50 50 HIS H H 8.800 0.001 1 247 50 50 HIS HA H 4.740 0.002 1 248 50 50 HIS C C 174.722 0.002 1 249 50 50 HIS CA C 55.118 0.033 1 250 50 50 HIS N N 123.567 0.000 1 251 51 51 GLY H H 8.557 0.003 1 252 51 51 GLY HA2 H 3.998 0.000 1 253 51 51 GLY HA3 H 3.998 0.000 1 254 51 51 GLY C C 173.758 0.001 1 255 51 51 GLY CA C 45.045 0.000 1 256 51 51 GLY N N 110.797 0.000 1 257 52 52 VAL H H 8.198 0.002 1 258 52 52 VAL HA H 4.149 0.003 1 259 52 52 VAL C C 176.038 0.000 1 260 52 52 VAL CA C 61.996 0.043 1 261 52 52 VAL N N 119.831 0.000 1 262 53 53 ALA H H 8.587 0.002 1 263 53 53 ALA HA H 4.415 0.000 1 264 53 53 ALA C C 177.926 0.002 1 265 53 53 ALA CA C 52.419 0.015 1 266 53 53 ALA N N 128.570 0.000 1 267 54 54 THR H H 8.271 0.003 1 268 54 54 THR HA H 4.312 0.000 1 269 54 54 THR C C 174.657 0.007 1 270 54 54 THR CA C 61.858 0.000 1 271 54 54 THR N N 115.044 0.000 1 272 55 55 VAL H H 8.327 0.001 1 273 55 55 VAL C C 175.996 0.000 1 274 55 55 VAL CA C 62.517 0.000 1 275 55 55 VAL N N 123.335 0.000 1 276 56 56 ALA H H 8.502 0.001 1 277 56 56 ALA HA H 4.278 0.000 1 278 56 56 ALA C C 177.924 0.001 1 279 56 56 ALA CA C 52.626 0.000 1 280 56 56 ALA N N 127.983 0.000 1 281 57 57 GLU H H 8.376 0.002 1 282 57 57 GLU HA H 4.302 0.000 1 283 57 57 GLU C C 176.420 0.001 1 284 57 57 GLU CA C 55.909 0.000 1 285 57 57 GLU N N 120.326 0.000 1 286 58 58 LYS H H 8.506 0.000 1 287 58 58 LYS HA H 4.341 0.000 1 288 58 58 LYS C C 177.034 0.010 1 289 58 58 LYS CA C 56.693 0.000 1 290 58 58 LYS N N 122.957 0.000 1 291 59 59 THR H H 8.247 0.005 1 292 59 59 THR HA H 4.283 0.000 1 293 59 59 THR C C 174.599 0.001 1 294 59 59 THR CA C 62.188 0.000 1 295 59 59 THR N N 115.991 0.000 1 296 60 60 LYS H H 8.435 0.001 1 297 60 60 LYS HA H 4.292 0.000 1 298 60 60 LYS C C 176.653 0.002 1 299 60 60 LYS CA C 56.588 0.000 1 300 60 60 LYS N N 123.912 0.000 1 301 61 61 GLU H H 8.415 0.000 1 302 61 61 GLU C C 175.996 0.000 1 303 61 61 GLU CA C 55.956 0.000 1 304 61 61 GLU N N 121.779 0.000 1 305 62 62 GLN H H 8.503 0.000 1 306 62 62 GLN HA H 4.343 0.000 1 307 62 62 GLN C C 175.944 0.004 1 308 62 62 GLN CA C 55.802 0.000 1 309 62 62 GLN N N 122.348 0.000 1 310 63 63 VAL H H 8.384 0.001 1 311 63 63 VAL HA H 4.197 0.000 1 312 63 63 VAL C C 176.374 0.002 1 313 63 63 VAL CA C 62.344 0.042 1 314 63 63 VAL N N 122.200 0.000 1 315 64 64 THR H H 8.377 0.001 1 316 64 64 THR HA H 4.380 0.000 1 317 64 64 THR C C 174.044 0.017 1 318 64 64 THR CA C 61.745 0.000 1 319 64 64 THR N N 118.364 0.000 1 320 65 65 ASN H H 8.603 0.002 1 321 65 65 ASN HA H 4.785 0.000 1 322 65 65 ASN C C 175.295 0.000 1 323 65 65 ASN CA C 53.110 0.004 1 324 65 65 ASN N N 121.992 0.000 1 325 66 66 VAL H H 8.327 0.003 1 326 66 66 VAL HA H 4.121 0.002 1 327 66 66 VAL C C 176.917 0.000 1 328 66 66 VAL CA C 62.667 0.051 1 329 66 66 VAL N N 120.947 0.000 1 330 67 67 GLY H H 8.631 0.002 1 331 67 67 GLY HA2 H 3.970 0.000 1 332 67 67 GLY HA3 H 3.970 0.000 1 333 67 67 GLY C C 174.700 0.001 1 334 67 67 GLY CA C 45.340 0.000 1 335 67 67 GLY N N 112.837 0.000 1 336 68 68 GLY H H 8.303 0.004 1 337 68 68 GLY HA2 H 3.939 0.000 1 338 68 68 GLY HA3 H 3.939 0.000 1 339 68 68 GLY C C 173.762 0.003 1 340 68 68 GLY CA C 45.011 0.000 1 341 68 68 GLY N N 108.938 0.000 1 342 69 69 ALA H H 8.239 0.001 1 343 69 69 ALA HA H 4.348 0.004 1 344 69 69 ALA C C 177.719 0.007 1 345 69 69 ALA CA C 52.294 0.018 1 346 69 69 ALA N N 123.885 0.000 1 347 70 70 VAL H H 8.306 0.001 1 348 70 70 VAL HA H 4.067 0.000 1 349 70 70 VAL C C 176.411 0.000 1 350 70 70 VAL CA C 62.429 0.000 1 351 70 70 VAL N N 120.770 0.000 1 352 71 71 VAL H H 8.488 0.001 1 353 71 71 VAL HA H 4.216 0.003 1 354 71 71 VAL C C 176.353 0.004 1 355 71 71 VAL CA C 62.122 0.024 1 356 71 71 VAL N N 125.783 0.000 1 357 72 72 THR H H 8.397 0.002 1 358 72 72 THR HA H 4.361 0.000 1 359 72 72 THR C C 174.950 0.000 1 360 72 72 THR CA C 61.910 0.000 1 361 72 72 THR N N 118.974 0.000 1 362 73 73 GLY H H 8.511 0.001 1 363 73 73 GLY HA2 H 3.987 0.000 1 364 73 73 GLY HA3 H 3.987 0.000 1 365 73 73 GLY C C 174.044 0.003 1 366 73 73 GLY CA C 45.231 0.000 1 367 73 73 GLY N N 111.500 0.000 1 368 74 74 VAL H H 8.164 0.003 1 369 74 74 VAL HA H 4.184 0.001 1 370 74 74 VAL C C 176.639 0.002 1 371 74 74 VAL CA C 62.323 0.023 1 372 74 74 VAL N N 119.718 0.000 1 373 75 75 THR H H 8.383 0.003 1 374 75 75 THR HA H 4.315 0.000 1 375 75 75 THR C C 174.138 0.009 1 376 75 75 THR CA C 61.996 0.000 1 377 75 75 THR N N 119.318 0.000 1 378 76 76 ALA H H 8.459 0.001 1 379 76 76 ALA HA H 4.335 0.002 1 380 76 76 ALA C C 177.672 0.005 1 381 76 76 ALA CA C 52.477 0.002 1 382 76 76 ALA N N 127.629 0.000 1 383 77 77 VAL H H 8.232 0.002 1 384 77 77 VAL HA H 4.039 0.000 1 385 77 77 VAL C C 176.112 0.001 1 386 77 77 VAL CA C 62.322 0.000 1 387 77 77 VAL N N 120.355 0.000 1 388 78 78 ALA H H 8.492 0.002 1 389 78 78 ALA HA H 4.288 0.000 1 390 78 78 ALA C C 177.746 0.009 1 391 78 78 ALA CA C 52.520 0.000 1 392 78 78 ALA N N 128.371 0.000 1 393 79 79 GLN H H 8.476 0.002 1 394 79 79 GLN HA H 4.288 0.000 1 395 79 79 GLN C C 176.083 0.000 1 396 79 79 GLN CA C 55.718 0.000 1 397 79 79 GLN N N 120.506 0.000 1 398 80 80 LYS H H 8.508 0.001 1 399 80 80 LYS HA H 4.352 0.000 1 400 80 80 LYS C C 176.758 0.000 1 401 80 80 LYS CA C 56.429 0.000 1 402 80 80 LYS N N 123.327 0.000 1 403 81 81 THR H H 8.340 0.001 1 404 81 81 THR HA H 4.334 0.000 1 405 81 81 THR C C 174.443 0.008 1 406 81 81 THR CA C 61.993 0.000 1 407 81 81 THR N N 116.987 0.000 1 408 82 82 VAL H H 8.389 0.002 1 409 82 82 VAL HA H 4.115 0.000 1 410 82 82 VAL C C 176.159 0.000 1 411 82 82 VAL CA C 62.326 0.000 1 412 82 82 VAL N N 123.560 0.000 1 413 83 83 GLU H H 8.589 0.002 1 414 83 83 GLU HA H 4.362 0.000 1 415 83 83 GLU C C 176.581 0.006 1 416 83 83 GLU CA C 55.909 0.000 1 417 83 83 GLU N N 124.893 0.000 1 418 84 84 GLY H H 8.580 0.001 1 419 84 84 GLY HA2 H 3.956 0.000 1 420 84 84 GLY HA3 H 3.956 0.000 1 421 84 84 GLY C C 174.063 0.005 1 422 84 84 GLY CA C 45.178 0.000 1 423 84 84 GLY N N 110.920 0.000 1 424 85 85 ALA H H 8.380 0.002 1 425 85 85 ALA HA H 4.307 0.000 1 426 85 85 ALA C C 178.601 0.001 1 427 85 85 ALA CA C 52.937 0.000 1 428 85 85 ALA N N 124.101 0.000 1 429 86 86 GLY H H 8.584 0.004 1 430 86 86 GLY HA2 H 3.967 0.000 1 431 86 86 GLY HA3 H 3.967 0.000 1 432 86 86 GLY C C 174.354 0.006 1 433 86 86 GLY CA C 45.258 0.000 1 434 86 86 GLY N N 108.386 0.000 1 435 87 87 SER H H 8.212 0.000 1 436 87 87 SER HA H 4.460 0.003 1 437 87 87 SER C C 174.745 0.001 1 438 87 87 SER CA C 58.398 0.039 1 439 87 87 SER N N 115.840 0.000 1 440 88 88 ILE H H 8.263 0.001 1 441 88 88 ILE HA H 4.160 0.001 1 442 88 88 ILE C C 176.356 0.000 1 443 88 88 ILE CA C 61.303 0.047 1 444 88 88 ILE N N 122.945 0.000 1 445 89 89 ALA H H 8.422 0.001 1 446 89 89 ALA HA H 4.249 0.000 1 447 89 89 ALA C C 177.657 0.004 1 448 89 89 ALA CA C 52.658 0.000 1 449 89 89 ALA N N 128.235 0.000 1 450 90 90 ALA H H 8.287 0.001 1 451 90 90 ALA HA H 4.247 0.000 1 452 90 90 ALA C C 177.804 0.002 1 453 90 90 ALA CA C 52.509 0.000 1 454 90 90 ALA N N 123.475 0.000 1 455 91 91 ALA H H 8.361 0.002 1 456 91 91 ALA HA H 4.353 0.001 1 457 91 91 ALA C C 178.216 0.002 1 458 91 91 ALA CA C 52.656 0.007 1 459 91 91 ALA N N 123.547 0.000 1 460 92 92 THR H H 8.167 0.002 1 461 92 92 THR HA H 4.297 0.000 1 462 92 92 THR C C 175.230 0.003 1 463 92 92 THR CA C 62.049 0.000 1 464 92 92 THR N N 112.853 0.000 1 465 93 93 GLY H H 8.377 0.001 1 466 93 93 GLY HA2 H 3.913 0.000 1 467 93 93 GLY HA3 H 3.913 0.000 1 468 93 93 GLY C C 173.740 0.003 1 469 93 93 GLY CA C 45.163 0.000 1 470 93 93 GLY N N 110.775 0.000 1 471 94 94 PHE H H 8.158 0.001 1 472 94 94 PHE HA H 4.601 0.004 1 473 94 94 PHE C C 175.638 0.001 1 474 94 94 PHE CA C 57.876 0.015 1 475 94 94 PHE N N 120.437 0.000 1 476 95 95 VAL H H 8.107 0.001 1 477 95 95 VAL HA H 4.000 0.000 1 478 95 95 VAL C C 175.649 0.004 1 479 95 95 VAL CA C 62.123 0.000 1 480 95 95 VAL N N 123.760 0.000 1 481 96 96 LYS H H 8.441 0.001 1 482 96 96 LYS HA H 4.208 0.003 1 483 96 96 LYS C C 176.650 0.001 1 484 96 96 LYS CA C 56.475 0.004 1 485 96 96 LYS N N 126.287 0.000 1 486 97 97 LYS H H 8.479 0.007 1 487 97 97 LYS HA H 4.273 0.000 1 488 97 97 LYS C C 176.542 0.003 1 489 97 97 LYS CA C 56.596 0.000 1 490 97 97 LYS N N 123.252 0.000 1 491 98 98 ASP H H 8.579 0.002 1 492 98 98 ASP HA H 4.658 0.005 1 493 98 98 ASP C C 175.265 0.010 1 494 98 98 ASP CA C 53.208 0.001 1 495 98 98 ASP N N 120.087 0.000 1 496 99 99 GLN H H 8.446 0.002 1 497 99 99 GLN HA H 4.316 0.000 1 498 99 99 GLN C C 175.949 0.006 1 499 99 99 GLN CA C 55.862 0.000 1 500 99 99 GLN N N 121.019 0.000 1 501 100 100 LEU H H 8.312 0.001 1 502 100 100 LEU HA H 4.342 0.003 1 503 100 100 LEU C C 177.978 0.003 1 504 100 100 LEU CA C 55.322 0.036 1 505 100 100 LEU N N 123.160 0.000 1 506 101 101 GLY H H 8.465 0.002 1 507 101 101 GLY HA2 H 3.940 0.000 1 508 101 101 GLY HA3 H 3.940 0.000 1 509 101 101 GLY C C 174.243 0.004 1 510 101 101 GLY CA C 45.253 0.000 1 511 101 101 GLY N N 109.719 0.000 1 512 102 102 LYS H H 8.263 0.001 1 513 102 102 LYS HA H 4.302 0.000 1 514 102 102 LYS C C 176.615 0.004 1 515 102 102 LYS CA C 56.396 0.000 1 516 102 102 LYS N N 120.813 0.000 1 517 103 103 ASN H H 8.634 0.003 1 518 103 103 ASN HA H 4.675 0.009 1 519 103 103 ASN C C 175.371 0.005 1 520 103 103 ASN CA C 53.364 0.009 1 521 103 103 ASN N N 119.446 0.000 1 522 104 104 GLU H H 8.400 0.003 1 523 104 104 GLU HA H 4.361 0.000 1 524 104 104 GLU C C 176.117 0.003 1 525 104 104 GLU CA C 55.897 0.000 1 526 104 104 GLU N N 120.632 0.000 1 527 105 105 GLU H H 8.432 0.004 1 528 105 105 GLU C C 176.519 0.000 1 529 105 105 GLU CA C 56.127 0.000 1 530 105 105 GLU N N 121.028 0.000 1 531 106 106 GLY H H 8.480 0.002 1 532 106 106 GLY HA2 H 3.928 0.000 1 533 106 106 GLY HA3 H 3.928 0.000 1 534 106 106 GLY C C 173.383 0.001 1 535 106 106 GLY CA C 44.977 0.000 1 536 106 106 GLY N N 110.203 0.000 1 537 107 107 ALA H H 8.187 0.000 1 538 107 107 ALA N N 124.906 0.000 1 539 108 108 PRO HA H 4.419 0.002 1 540 108 108 PRO C C 177.099 0.002 1 541 108 108 PRO CA C 63.177 0.030 1 542 109 109 GLN H H 8.602 0.003 1 543 109 109 GLN HA H 4.287 0.000 1 544 109 109 GLN C C 176.055 0.004 1 545 109 109 GLN CA C 55.758 0.000 1 546 109 109 GLN N N 120.806 0.000 1 547 110 110 GLU H H 8.500 0.000 1 548 110 110 GLU HA H 4.366 0.000 1 549 110 110 GLU C C 176.506 0.004 1 550 110 110 GLU CA C 55.917 0.000 1 551 110 110 GLU N N 121.654 0.000 1 552 111 111 GLY H H 8.514 0.001 1 553 111 111 GLY HA2 H 3.939 0.000 1 554 111 111 GLY HA3 H 3.939 0.000 1 555 111 111 GLY C C 174.078 0.006 1 556 111 111 GLY CA C 45.345 0.000 1 557 111 111 GLY N N 110.227 0.000 1 558 112 112 ILE H H 8.036 0.002 1 559 112 112 ILE HA H 4.157 0.004 1 560 112 112 ILE C C 176.536 0.005 1 561 112 112 ILE CA C 61.278 0.021 1 562 112 112 ILE N N 119.960 0.000 1 563 113 113 LEU H H 8.384 0.002 1 564 113 113 LEU HA H 4.349 0.006 1 565 113 113 LEU C C 177.357 0.003 1 566 113 113 LEU CA C 55.244 0.016 1 567 113 113 LEU N N 125.789 0.000 1 568 114 114 GLU H H 8.345 0.001 1 569 114 114 GLU HA H 4.319 0.000 1 570 114 114 GLU C C 175.602 0.005 1 571 114 114 GLU CA C 55.739 0.000 1 572 114 114 GLU N N 120.700 0.000 1 573 115 115 ASP H H 8.454 0.002 1 574 115 115 ASP HA H 4.686 0.007 1 575 115 115 ASP C C 174.690 0.004 1 576 115 115 ASP CA C 52.800 0.016 1 577 115 115 ASP N N 119.485 0.000 1 578 116 116 MET H H 8.258 0.002 1 579 116 116 MET N N 121.858 0.000 1 580 117 117 PRO HA H 4.448 0.000 1 581 117 117 PRO C C 176.721 0.003 1 582 117 117 PRO CA C 62.886 0.004 1 583 118 118 VAL H H 8.340 0.001 1 584 118 118 VAL HA H 4.028 0.000 1 585 118 118 VAL C C 175.775 0.005 1 586 118 118 VAL CA C 62.258 0.000 1 587 118 118 VAL N N 120.705 0.000 1 588 119 119 ASP H H 8.678 0.002 1 589 119 119 ASP N N 123.719 0.000 1 590 120 120 PRO HA H 4.357 0.001 1 591 120 120 PRO C C 176.853 0.001 1 592 120 120 PRO CA C 63.598 0.047 1 593 121 121 ASP H H 8.393 0.001 1 594 121 121 ASP HA H 4.663 0.000 1 595 121 121 ASP C C 175.061 0.000 1 596 121 121 ASP CA C 53.177 0.019 1 597 121 121 ASP N N 117.623 0.000 1 598 122 122 ASN H H 8.250 0.001 1 599 122 122 ASN HA H 4.700 0.000 1 600 122 122 ASN C C 175.385 0.000 1 601 122 122 ASN CA C 53.442 0.002 1 602 122 122 ASN N N 118.855 0.000 1 603 123 123 GLU H H 8.241 0.002 1 604 123 123 GLU HA H 4.274 0.000 1 605 123 123 GLU C C 175.956 0.011 1 606 123 123 GLU CA C 56.165 0.000 1 607 123 123 GLU N N 120.353 0.000 1 608 124 124 ALA H H 8.294 0.004 1 609 124 124 ALA HA H 4.223 0.000 1 610 124 124 ALA C C 177.491 0.001 1 611 124 124 ALA CA C 52.833 0.000 1 612 124 124 ALA N N 124.090 0.000 1 613 125 125 TYR H H 8.015 0.002 1 614 125 125 TYR HA H 4.512 0.001 1 615 125 125 TYR C C 175.486 0.005 1 616 125 125 TYR CA C 57.806 0.014 1 617 125 125 TYR N N 118.640 0.000 1 618 126 126 GLU H H 8.017 0.001 1 619 126 126 GLU HA H 4.311 0.003 1 620 126 126 GLU C C 175.178 0.007 1 621 126 126 GLU CA C 55.072 0.038 1 622 126 126 GLU N N 122.164 0.000 1 623 127 127 MET H H 8.309 0.002 1 624 127 127 MET N N 122.799 0.000 1 625 128 128 PRO HA H 4.357 0.000 1 626 128 128 PRO C C 177.138 0.006 1 627 128 128 PRO CA C 63.568 0.017 1 628 129 129 SER H H 8.403 0.003 1 629 129 129 SER HA H 4.367 0.009 1 630 129 129 SER C C 174.964 0.009 1 631 129 129 SER CA C 58.583 0.021 1 632 129 129 SER N N 115.262 0.000 1 633 130 130 GLU H H 8.402 0.002 1 634 130 130 GLU HA H 4.376 0.000 1 635 130 130 GLU C C 176.130 0.002 1 636 130 130 GLU CA C 55.907 0.000 1 637 130 130 GLU N N 121.886 0.000 1 638 131 131 GLU H H 8.333 0.001 1 639 131 131 GLU HA H 4.287 0.000 1 640 131 131 GLU C C 176.538 0.000 1 641 131 131 GLU CA C 56.237 0.000 1 642 131 131 GLU N N 120.709 0.000 1 643 132 132 GLY H H 8.420 0.002 1 644 132 132 GLY HA2 H 3.875 0.000 1 645 132 132 GLY HA3 H 3.875 0.000 1 646 132 132 GLY C C 174.041 0.001 1 647 132 132 GLY CA C 45.266 0.000 1 648 132 132 GLY N N 109.829 0.000 1 649 133 133 TYR H H 8.080 0.001 1 650 133 133 TYR HA H 4.502 0.006 1 651 133 133 TYR C C 175.928 0.009 1 652 133 133 TYR CA C 58.203 0.038 1 653 133 133 TYR N N 120.197 0.000 1 654 134 134 GLN H H 8.334 0.002 1 655 134 134 GLN HA H 4.199 0.002 1 656 134 134 GLN C C 175.167 0.001 1 657 134 134 GLN CA C 55.688 0.043 1 658 134 134 GLN N N 122.081 0.000 1 659 135 135 ASP H H 8.352 0.002 1 660 135 135 ASP HA H 4.622 0.003 1 661 135 135 ASP C C 174.575 0.004 1 662 135 135 ASP CA C 52.861 0.000 1 663 135 135 ASP N N 119.722 0.000 1 664 136 136 TYR H H 8.142 0.003 1 665 136 136 TYR HA H 4.542 0.001 1 666 136 136 TYR C C 175.159 0.000 1 667 136 136 TYR CA C 57.907 0.020 1 668 136 136 TYR N N 121.018 0.000 1 669 137 137 GLU H H 8.124 0.001 1 670 137 137 GLU N N 123.998 0.000 1 671 138 138 PRO HA H 4.333 0.006 1 672 138 138 PRO C C 176.781 0.004 1 673 138 138 PRO CA C 62.910 0.031 1 674 139 139 GLU H H 8.478 0.003 1 675 139 139 GLU HA H 4.317 0.000 1 676 139 139 GLU C C 175.661 0.002 1 677 139 139 GLU CA C 55.612 0.000 1 678 139 139 GLU N N 120.685 0.000 1 679 140 140 ALA H H 8.487 0.002 1 680 140 140 ALA HA H 4.313 0.000 1 681 140 140 ALA CA C 51.789 0.000 1 682 140 140 ALA N N 127.382 0.000 1 stop_ save_ save_assigned_chem_shif_list_5 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_3.11 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.133 0.006 1 2 1 1 MET C C 171.890 0.008 1 3 1 1 MET CA C 54.953 0.021 1 4 2 2 ASP H H 8.963 0.002 1 5 2 2 ASP HA H 4.763 0.002 1 6 2 2 ASP C C 174.969 0.013 1 7 2 2 ASP CA C 53.172 0.029 1 8 2 2 ASP N N 123.566 0.000 1 9 3 3 VAL H H 8.353 0.001 1 10 3 3 VAL HA H 4.033 0.000 1 11 3 3 VAL C C 175.798 0.001 1 12 3 3 VAL CA C 62.507 0.000 1 13 3 3 VAL N N 121.342 0.000 1 14 4 4 PHE H H 8.400 0.001 1 15 4 4 PHE HA H 4.604 0.003 1 16 4 4 PHE C C 175.748 0.000 1 17 4 4 PHE CA C 57.892 0.028 1 18 4 4 PHE N N 124.093 0.000 1 19 5 5 MET H H 8.272 0.002 1 20 5 5 MET HA H 4.406 0.001 1 21 5 5 MET C C 175.886 0.005 1 22 5 5 MET CA C 55.213 0.048 1 23 5 5 MET N N 122.773 0.000 1 24 6 6 LYS H H 8.353 0.001 1 25 6 6 LYS HA H 4.202 0.004 1 26 6 6 LYS C C 177.168 0.004 1 27 6 6 LYS CA C 56.902 0.021 1 28 6 6 LYS N N 123.096 0.000 1 29 7 7 GLY H H 8.496 0.002 1 30 7 7 GLY HA2 H 3.940 0.000 1 31 7 7 GLY HA3 H 3.940 0.000 1 32 7 7 GLY C C 174.211 0.003 1 33 7 7 GLY CA C 45.294 0.000 1 34 7 7 GLY N N 110.178 0.000 1 35 8 8 LEU H H 8.141 0.003 1 36 8 8 LEU HA H 4.381 0.002 1 37 8 8 LEU C C 177.707 0.001 1 38 8 8 LEU CA C 55.117 0.016 1 39 8 8 LEU N N 121.775 0.000 1 40 9 9 SER H H 8.398 0.002 1 41 9 9 SER HA H 4.417 0.002 1 42 9 9 SER C C 174.734 0.008 1 43 9 9 SER CA C 58.353 0.024 1 44 9 9 SER N N 117.015 0.000 1 45 10 10 LYS H H 8.476 0.001 1 46 10 10 LYS HA H 4.352 0.000 1 47 10 10 LYS C C 176.745 0.000 1 48 10 10 LYS CA C 56.556 0.000 1 49 10 10 LYS N N 123.890 0.000 1 50 11 11 ALA H H 8.343 0.000 1 51 11 11 ALA HA H 4.245 0.000 1 52 11 11 ALA C C 178.112 0.001 1 53 11 11 ALA CA C 52.856 0.000 1 54 11 11 ALA N N 125.006 0.000 1 55 12 12 LYS H H 8.375 0.001 1 56 12 12 LYS HA H 4.265 0.000 1 57 12 12 LYS C C 176.871 0.003 1 58 12 12 LYS CA C 56.424 0.000 1 59 12 12 LYS N N 120.907 0.000 1 60 13 13 GLU H H 8.440 0.001 1 61 13 13 GLU C C 176.740 0.000 1 62 13 13 GLU CA C 56.207 0.000 1 63 13 13 GLU N N 121.714 0.000 1 64 14 14 GLY H H 8.522 0.001 1 65 14 14 GLY C C 174.102 0.000 1 66 14 14 GLY CA C 45.284 0.000 1 67 14 14 GLY N N 110.352 0.000 1 68 15 15 VAL H H 8.058 0.002 1 69 15 15 VAL HA H 4.069 0.000 1 70 15 15 VAL C C 176.730 0.000 1 71 15 15 VAL CA C 62.780 0.000 1 72 15 15 VAL N N 120.426 0.000 1 73 16 16 VAL H H 8.349 0.001 1 74 16 16 VAL HA H 4.041 0.000 1 75 16 16 VAL C C 176.263 0.003 1 76 16 16 VAL CA C 62.687 0.000 1 77 16 16 VAL N N 125.416 0.000 1 78 17 17 ALA H H 8.506 0.002 1 79 17 17 ALA HA H 4.242 0.000 1 80 17 17 ALA C C 177.989 0.009 1 81 17 17 ALA CA C 52.808 0.000 1 82 17 17 ALA N N 128.308 0.000 1 83 18 18 ALA H H 8.366 0.003 1 84 18 18 ALA HA H 4.215 0.000 1 85 18 18 ALA C C 178.075 0.000 1 86 18 18 ALA CA C 52.799 0.000 1 87 18 18 ALA N N 123.588 0.000 1 88 19 19 ALA H H 8.307 0.002 1 89 19 19 ALA HA H 4.264 0.000 1 90 19 19 ALA C C 178.274 0.002 1 91 19 19 ALA CA C 52.898 0.000 1 92 19 19 ALA N N 123.067 0.000 1 93 20 20 GLU H H 8.310 0.002 1 94 20 20 GLU C C 176.513 0.000 1 95 20 20 GLU CA C 56.072 0.000 1 96 20 20 GLU N N 119.599 0.000 1 97 21 21 LYS H H 8.389 0.003 1 98 21 21 LYS HA H 4.347 0.000 1 99 21 21 LYS C C 177.135 0.002 1 100 21 21 LYS CA C 56.734 0.000 1 101 21 21 LYS N N 122.589 0.000 1 102 22 22 THR H H 8.224 0.001 1 103 22 22 THR HA H 4.292 0.000 1 104 22 22 THR C C 174.739 0.015 1 105 22 22 THR CA C 62.202 0.000 1 106 22 22 THR N N 115.666 0.000 1 107 23 23 LYS H H 8.466 0.002 1 108 23 23 LYS HA H 4.287 0.000 1 109 23 23 LYS C C 176.812 0.003 1 110 23 23 LYS CA C 56.770 0.000 1 111 23 23 LYS N N 124.013 0.000 1 112 24 24 GLN H H 8.518 0.002 1 113 24 24 GLN HA H 4.302 0.000 1 114 24 24 GLN C C 176.670 0.002 1 115 24 24 GLN CA C 56.211 0.000 1 116 24 24 GLN N N 121.955 0.000 1 117 25 25 GLY H H 8.522 0.002 1 118 25 25 GLY HA2 H 3.999 0.000 1 119 25 25 GLY HA3 H 3.999 0.000 1 120 25 25 GLY C C 174.316 0.003 1 121 25 25 GLY CA C 45.345 0.000 1 122 25 25 GLY N N 110.581 0.000 1 123 26 26 VAL H H 8.095 0.004 1 124 26 26 VAL HA H 4.083 0.000 1 125 26 26 VAL C C 176.404 0.003 1 126 26 26 VAL CA C 62.588 0.000 1 127 26 26 VAL N N 120.101 0.000 1 128 27 27 ALA H H 8.492 0.003 1 129 27 27 ALA HA H 4.287 0.000 1 130 27 27 ALA C C 178.110 0.001 1 131 27 27 ALA CA C 52.771 0.000 1 132 27 27 ALA N N 127.591 0.000 1 133 28 28 GLU H H 8.399 0.000 1 134 28 28 GLU HA H 4.289 0.000 1 135 28 28 GLU C C 176.212 0.010 1 136 28 28 GLU CA C 55.932 0.000 1 137 28 28 GLU N N 120.198 0.000 1 138 29 29 ALA H H 8.386 0.002 1 139 29 29 ALA HA H 4.262 0.000 1 140 29 29 ALA C C 177.708 0.002 1 141 29 29 ALA CA C 52.612 0.000 1 142 29 29 ALA N N 125.410 0.000 1 143 30 30 ALA H H 8.355 0.002 1 144 30 30 ALA HA H 4.287 0.000 1 145 30 30 ALA C C 178.534 0.001 1 146 30 30 ALA CA C 52.807 0.000 1 147 30 30 ALA N N 123.507 0.000 1 148 31 31 GLY H H 8.405 0.002 1 149 31 31 GLY HA2 H 3.934 0.000 1 150 31 31 GLY HA3 H 3.934 0.000 1 151 31 31 GLY C C 174.291 0.001 1 152 31 31 GLY CA C 45.305 0.000 1 153 31 31 GLY N N 108.054 0.000 1 154 32 32 LYS H H 8.228 0.003 1 155 32 32 LYS HA H 4.405 0.001 1 156 32 32 LYS C C 177.093 0.000 1 157 32 32 LYS CA C 56.299 0.027 1 158 32 32 LYS N N 120.885 0.000 1 159 33 33 THR H H 8.273 0.002 1 160 33 33 THR HA H 4.321 0.000 1 161 33 33 THR C C 174.629 0.014 1 162 33 33 THR CA C 62.029 0.000 1 163 33 33 THR N N 115.801 0.000 1 164 34 34 LYS H H 8.525 0.002 1 165 34 34 LYS C C 176.512 0.000 1 166 34 34 LYS CA C 56.476 0.000 1 167 34 34 LYS N N 124.234 0.000 1 168 35 35 GLU H H 8.467 0.000 1 169 35 35 GLU HA H 4.340 0.000 1 170 35 35 GLU C C 176.558 0.000 1 171 35 35 GLU CA C 55.980 0.000 1 172 35 35 GLU N N 121.869 0.000 1 173 36 36 GLY H H 8.520 0.004 1 174 36 36 GLY HA2 H 3.955 0.000 1 175 36 36 GLY HA3 H 3.955 0.000 1 176 36 36 GLY C C 173.983 0.004 1 177 36 36 GLY CA C 45.214 0.000 1 178 36 36 GLY N N 110.481 0.000 1 179 37 37 VAL H H 8.051 0.001 1 180 37 37 VAL HA H 4.071 0.000 1 181 37 37 VAL C C 176.050 0.000 1 182 37 37 VAL CA C 62.373 0.000 1 183 37 37 VAL N N 119.724 0.000 1 184 38 38 LEU H H 8.367 0.003 1 185 38 38 LEU HA H 4.343 0.001 1 186 38 38 LEU C C 176.708 0.003 1 187 38 38 LEU CA C 54.927 0.006 1 188 38 38 LEU N N 126.053 0.000 1 189 39 39 TYR H H 8.353 0.001 1 190 39 39 TYR HA H 4.567 0.002 1 191 39 39 TYR C C 175.625 0.005 1 192 39 39 TYR CA C 57.934 0.025 1 193 39 39 TYR N N 122.792 0.000 1 194 40 40 VAL H H 8.145 0.003 1 195 40 40 VAL HA H 4.052 0.000 1 196 40 40 VAL C C 176.159 0.001 1 197 40 40 VAL CA C 62.175 0.000 1 198 40 40 VAL N N 123.880 0.000 1 199 41 41 GLY H H 8.097 0.004 1 200 41 41 GLY HA2 H 3.929 0.000 1 201 41 41 GLY HA3 H 3.929 0.000 1 202 41 41 GLY C C 173.993 0.001 1 203 41 41 GLY CA C 45.142 0.000 1 204 41 41 GLY N N 112.360 0.000 1 205 42 42 SER H H 8.328 0.001 1 206 42 42 SER HA H 4.434 0.002 1 207 42 42 SER C C 174.955 0.007 1 208 42 42 SER CA C 58.358 0.028 1 209 42 42 SER N N 115.733 0.000 1 210 43 43 LYS H H 8.582 0.002 1 211 43 43 LYS HA H 4.405 0.000 1 212 43 43 LYS C C 176.973 0.009 1 213 43 43 LYS CA C 56.495 0.043 1 214 43 43 LYS N N 123.692 0.000 1 215 44 44 THR H H 8.215 0.002 1 216 44 44 THR HA H 4.290 0.000 1 217 44 44 THR C C 174.558 0.001 1 218 44 44 THR CA C 62.052 0.000 1 219 44 44 THR N N 115.665 0.000 1 220 45 45 LYS H H 8.478 0.003 1 221 45 45 LYS HA H 4.297 0.000 1 222 45 45 LYS C C 176.530 0.004 1 223 45 45 LYS CA C 56.452 0.000 1 224 45 45 LYS N N 124.285 0.000 1 225 46 46 GLU H H 8.474 0.001 1 226 46 46 GLU HA H 4.341 0.000 1 227 46 46 GLU C C 176.560 0.001 1 228 46 46 GLU CA C 55.974 0.000 1 229 46 46 GLU N N 122.036 0.000 1 230 47 47 GLY H H 8.520 0.002 1 231 47 47 GLY HA2 H 3.910 0.000 1 232 47 47 GLY HA3 H 3.910 0.000 1 233 47 47 GLY C C 173.798 0.006 1 234 47 47 GLY CA C 45.127 0.000 1 235 47 47 GLY N N 110.561 0.000 1 236 48 48 VAL H H 8.067 0.002 1 237 48 48 VAL HA H 4.087 0.000 1 238 48 48 VAL C C 176.201 0.001 1 239 48 48 VAL CA C 62.273 0.000 1 240 48 48 VAL N N 120.075 0.000 1 241 49 49 VAL H H 8.386 0.002 1 242 49 49 VAL HA H 4.060 0.000 1 243 49 49 VAL C C 175.990 0.001 1 244 49 49 VAL CA C 62.245 0.000 1 245 49 49 VAL N N 125.410 0.000 1 246 50 50 HIS H H 8.806 0.001 1 247 50 50 HIS HA H 4.737 0.002 1 248 50 50 HIS C C 174.712 0.002 1 249 50 50 HIS CA C 55.099 0.033 1 250 50 50 HIS N N 123.617 0.000 1 251 51 51 GLY H H 8.563 0.002 1 252 51 51 GLY HA2 H 3.998 0.000 1 253 51 51 GLY HA3 H 3.998 0.000 1 254 51 51 GLY C C 173.755 0.004 1 255 51 51 GLY CA C 45.057 0.000 1 256 51 51 GLY N N 110.855 0.000 1 257 52 52 VAL H H 8.202 0.003 1 258 52 52 VAL HA H 4.149 0.003 1 259 52 52 VAL C C 176.030 0.006 1 260 52 52 VAL CA C 61.993 0.041 1 261 52 52 VAL N N 119.880 0.000 1 262 53 53 ALA H H 8.592 0.002 1 263 53 53 ALA HA H 4.412 0.002 1 264 53 53 ALA C C 177.916 0.001 1 265 53 53 ALA CA C 52.423 0.019 1 266 53 53 ALA N N 128.625 0.000 1 267 54 54 THR H H 8.278 0.001 1 268 54 54 THR HA H 4.321 0.000 1 269 54 54 THR C C 174.649 0.005 1 270 54 54 THR CA C 61.844 0.000 1 271 54 54 THR N N 115.100 0.000 1 272 55 55 VAL H H 8.334 0.001 1 273 55 55 VAL C C 176.021 0.000 1 274 55 55 VAL CA C 62.507 0.000 1 275 55 55 VAL N N 123.382 0.000 1 276 56 56 ALA H H 8.507 0.001 1 277 56 56 ALA HA H 4.276 0.000 1 278 56 56 ALA C C 177.920 0.002 1 279 56 56 ALA CA C 52.624 0.000 1 280 56 56 ALA N N 128.058 0.000 1 281 57 57 GLU H H 8.385 0.001 1 282 57 57 GLU HA H 4.287 0.000 1 283 57 57 GLU C C 176.445 0.003 1 284 57 57 GLU CA C 55.967 0.000 1 285 57 57 GLU N N 120.432 0.000 1 286 58 58 LYS H H 8.511 0.002 1 287 58 58 LYS HA H 4.339 0.000 1 288 58 58 LYS C C 177.041 0.001 1 289 58 58 LYS CA C 56.685 0.000 1 290 58 58 LYS N N 123.000 0.000 1 291 59 59 THR H H 8.254 0.003 1 292 59 59 THR HA H 4.283 0.000 1 293 59 59 THR C C 174.599 0.002 1 294 59 59 THR CA C 62.213 0.000 1 295 59 59 THR N N 116.037 0.000 1 296 60 60 LYS H H 8.439 0.001 1 297 60 60 LYS HA H 4.292 0.000 1 298 60 60 LYS C C 176.654 0.004 1 299 60 60 LYS CA C 56.610 0.000 1 300 60 60 LYS N N 123.956 0.000 1 301 61 61 GLU H H 8.423 0.002 1 302 61 61 GLU C C 176.021 0.000 1 303 61 61 GLU CA C 55.937 0.000 1 304 61 61 GLU N N 121.839 0.000 1 305 62 62 GLN H H 8.505 0.002 1 306 62 62 GLN HA H 4.343 0.000 1 307 62 62 GLN C C 175.942 0.006 1 308 62 62 GLN CA C 55.788 0.000 1 309 62 62 GLN N N 122.369 0.000 1 310 63 63 VAL H H 8.386 0.002 1 311 63 63 VAL HA H 4.195 0.002 1 312 63 63 VAL C C 176.372 0.000 1 313 63 63 VAL CA C 62.334 0.050 1 314 63 63 VAL N N 122.253 0.000 1 315 64 64 THR H H 8.380 0.003 1 316 64 64 THR HA H 4.370 0.000 1 317 64 64 THR C C 174.058 0.003 1 318 64 64 THR CA C 61.751 0.000 1 319 64 64 THR N N 118.410 0.000 1 320 65 65 ASN H H 8.608 0.002 1 321 65 65 ASN HA H 4.797 0.004 1 322 65 65 ASN C C 175.288 0.000 1 323 65 65 ASN CA C 53.106 0.001 1 324 65 65 ASN N N 122.041 0.000 1 325 66 66 VAL H H 8.332 0.002 1 326 66 66 VAL HA H 4.120 0.003 1 327 66 66 VAL C C 176.911 0.003 1 328 66 66 VAL CA C 62.660 0.035 1 329 66 66 VAL N N 121.012 0.000 1 330 67 67 GLY H H 8.636 0.002 1 331 67 67 GLY HA2 H 3.970 0.000 1 332 67 67 GLY HA3 H 3.970 0.000 1 333 67 67 GLY C C 174.695 0.003 1 334 67 67 GLY CA C 45.327 0.000 1 335 67 67 GLY N N 112.891 0.000 1 336 68 68 GLY H H 8.309 0.002 1 337 68 68 GLY HA2 H 3.943 0.000 1 338 68 68 GLY HA3 H 3.943 0.000 1 339 68 68 GLY C C 173.758 0.001 1 340 68 68 GLY CA C 44.997 0.000 1 341 68 68 GLY N N 108.987 0.000 1 342 69 69 ALA H H 8.245 0.002 1 343 69 69 ALA HA H 4.351 0.000 1 344 69 69 ALA C C 177.715 0.000 1 345 69 69 ALA CA C 52.286 0.010 1 346 69 69 ALA N N 123.945 0.000 1 347 70 70 VAL H H 8.310 0.002 1 348 70 70 VAL HA H 4.067 0.000 1 349 70 70 VAL C C 176.406 0.005 1 350 70 70 VAL CA C 62.429 0.000 1 351 70 70 VAL N N 120.837 0.000 1 352 71 71 VAL H H 8.491 0.002 1 353 71 71 VAL HA H 4.216 0.004 1 354 71 71 VAL C C 176.348 0.009 1 355 71 71 VAL CA C 62.118 0.026 1 356 71 71 VAL N N 125.830 0.000 1 357 72 72 THR H H 8.402 0.003 1 358 72 72 THR HA H 4.364 0.000 1 359 72 72 THR C C 174.944 0.004 1 360 72 72 THR CA C 61.894 0.000 1 361 72 72 THR N N 119.026 0.000 1 362 73 73 GLY H H 8.517 0.002 1 363 73 73 GLY HA2 H 3.988 0.000 1 364 73 73 GLY HA3 H 3.988 0.000 1 365 73 73 GLY C C 174.041 0.000 1 366 73 73 GLY CA C 45.209 0.000 1 367 73 73 GLY N N 111.573 0.000 1 368 74 74 VAL H H 8.168 0.003 1 369 74 74 VAL HA H 4.184 0.002 1 370 74 74 VAL C C 176.624 0.003 1 371 74 74 VAL CA C 62.322 0.022 1 372 74 74 VAL N N 119.784 0.000 1 373 75 75 THR H H 8.388 0.002 1 374 75 75 THR HA H 4.308 0.000 1 375 75 75 THR C C 174.123 0.003 1 376 75 75 THR CA C 61.974 0.000 1 377 75 75 THR N N 119.355 0.000 1 378 76 76 ALA H H 8.462 0.002 1 379 76 76 ALA HA H 4.333 0.000 1 380 76 76 ALA C C 177.663 0.007 1 381 76 76 ALA CA C 52.467 0.007 1 382 76 76 ALA N N 127.680 0.000 1 383 77 77 VAL H H 8.239 0.002 1 384 77 77 VAL HA H 4.039 0.000 1 385 77 77 VAL C C 176.108 0.002 1 386 77 77 VAL CA C 62.273 0.000 1 387 77 77 VAL N N 120.434 0.000 1 388 78 78 ALA H H 8.495 0.003 1 389 78 78 ALA HA H 4.288 0.000 1 390 78 78 ALA C C 177.740 0.003 1 391 78 78 ALA CA C 52.514 0.000 1 392 78 78 ALA N N 128.404 0.000 1 393 79 79 GLN H H 8.481 0.001 1 394 79 79 GLN HA H 4.288 0.000 1 395 79 79 GLN C C 176.072 0.005 1 396 79 79 GLN CA C 55.702 0.000 1 397 79 79 GLN N N 120.555 0.000 1 398 80 80 LYS H H 8.511 0.001 1 399 80 80 LYS HA H 4.352 0.000 1 400 80 80 LYS C C 176.745 0.002 1 401 80 80 LYS CA C 56.425 0.000 1 402 80 80 LYS N N 123.403 0.000 1 403 81 81 THR H H 8.344 0.000 1 404 81 81 THR HA H 4.337 0.000 1 405 81 81 THR C C 174.447 0.002 1 406 81 81 THR CA C 61.991 0.000 1 407 81 81 THR N N 117.050 0.000 1 408 82 82 VAL H H 8.396 0.001 1 409 82 82 VAL HA H 4.115 0.000 1 410 82 82 VAL C C 176.155 0.004 1 411 82 82 VAL CA C 62.310 0.000 1 412 82 82 VAL N N 123.600 0.000 1 413 83 83 GLU H H 8.597 0.002 1 414 83 83 GLU HA H 4.362 0.000 1 415 83 83 GLU C C 176.588 0.001 1 416 83 83 GLU CA C 55.949 0.000 1 417 83 83 GLU N N 124.973 0.000 1 418 84 84 GLY H H 8.586 0.001 1 419 84 84 GLY HA2 H 3.956 0.000 1 420 84 84 GLY HA3 H 3.956 0.000 1 421 84 84 GLY C C 174.061 0.003 1 422 84 84 GLY CA C 45.174 0.000 1 423 84 84 GLY N N 110.988 0.000 1 424 85 85 ALA H H 8.384 0.002 1 425 85 85 ALA HA H 4.309 0.000 1 426 85 85 ALA C C 178.589 0.001 1 427 85 85 ALA CA C 52.925 0.000 1 428 85 85 ALA N N 124.161 0.000 1 429 86 86 GLY H H 8.588 0.002 1 430 86 86 GLY HA2 H 3.966 0.000 1 431 86 86 GLY HA3 H 3.966 0.000 1 432 86 86 GLY C C 174.347 0.003 1 433 86 86 GLY CA C 45.229 0.000 1 434 86 86 GLY N N 108.455 0.000 1 435 87 87 SER H H 8.218 0.003 1 436 87 87 SER HA H 4.457 0.001 1 437 87 87 SER C C 174.742 0.003 1 438 87 87 SER CA C 58.391 0.033 1 439 87 87 SER N N 115.894 0.000 1 440 88 88 ILE H H 8.268 0.001 1 441 88 88 ILE HA H 4.160 0.002 1 442 88 88 ILE C C 176.351 0.008 1 443 88 88 ILE CA C 61.301 0.048 1 444 88 88 ILE N N 122.999 0.000 1 445 89 89 ALA H H 8.425 0.001 1 446 89 89 ALA HA H 4.244 0.000 1 447 89 89 ALA C C 177.649 0.008 1 448 89 89 ALA CA C 52.620 0.000 1 449 89 89 ALA N N 128.278 0.000 1 450 90 90 ALA H H 8.291 0.002 1 451 90 90 ALA HA H 4.240 0.000 1 452 90 90 ALA C C 177.798 0.002 1 453 90 90 ALA CA C 52.426 0.000 1 454 90 90 ALA N N 123.547 0.000 1 455 91 91 ALA H H 8.368 0.000 1 456 91 91 ALA HA H 4.351 0.001 1 457 91 91 ALA C C 178.213 0.010 1 458 91 91 ALA CA C 52.644 0.005 1 459 91 91 ALA N N 123.587 0.000 1 460 92 92 THR H H 8.172 0.002 1 461 92 92 THR HA H 4.299 0.000 1 462 92 92 THR C C 175.211 0.008 1 463 92 92 THR CA C 62.037 0.000 1 464 92 92 THR N N 112.908 0.000 1 465 93 93 GLY H H 8.380 0.002 1 466 93 93 GLY HA2 H 3.914 0.000 1 467 93 93 GLY HA3 H 3.914 0.000 1 468 93 93 GLY C C 173.726 0.007 1 469 93 93 GLY CA C 45.159 0.000 1 470 93 93 GLY N N 110.837 0.000 1 471 94 94 PHE H H 8.164 0.003 1 472 94 94 PHE HA H 4.603 0.004 1 473 94 94 PHE C C 175.621 0.010 1 474 94 94 PHE CA C 57.869 0.006 1 475 94 94 PHE N N 120.489 0.000 1 476 95 95 VAL H H 8.114 0.002 1 477 95 95 VAL HA H 4.003 0.000 1 478 95 95 VAL C C 175.615 0.005 1 479 95 95 VAL CA C 62.099 0.000 1 480 95 95 VAL N N 123.843 0.000 1 481 96 96 LYS H H 8.452 0.003 1 482 96 96 LYS HA H 4.210 0.004 1 483 96 96 LYS C C 176.617 0.002 1 484 96 96 LYS CA C 56.461 0.002 1 485 96 96 LYS N N 126.378 0.000 1 486 97 97 LYS H H 8.495 0.002 1 487 97 97 LYS HA H 4.273 0.000 1 488 97 97 LYS C C 176.526 0.003 1 489 97 97 LYS CA C 56.575 0.000 1 490 97 97 LYS N N 123.390 0.000 1 491 98 98 ASP H H 8.570 0.002 1 492 98 98 ASP HA H 4.643 0.000 1 493 98 98 ASP C C 175.416 0.007 1 494 98 98 ASP CA C 53.326 0.021 1 495 98 98 ASP N N 120.312 0.000 1 496 99 99 GLN H H 8.449 0.004 1 497 99 99 GLN HA H 4.311 0.000 1 498 99 99 GLN C C 175.967 0.000 1 499 99 99 GLN CA C 55.880 0.000 1 500 99 99 GLN N N 121.023 0.000 1 501 100 100 LEU H H 8.314 0.002 1 502 100 100 LEU HA H 4.338 0.002 1 503 100 100 LEU C C 177.969 0.011 1 504 100 100 LEU CA C 55.322 0.036 1 505 100 100 LEU N N 123.100 0.000 1 506 101 101 GLY H H 8.473 0.002 1 507 101 101 GLY HA2 H 3.940 0.000 1 508 101 101 GLY HA3 H 3.940 0.000 1 509 101 101 GLY C C 174.242 0.003 1 510 101 101 GLY CA C 45.284 0.000 1 511 101 101 GLY N N 109.770 0.000 1 512 102 102 LYS H H 8.267 0.002 1 513 102 102 LYS HA H 4.301 0.000 1 514 102 102 LYS C C 176.601 0.002 1 515 102 102 LYS CA C 56.389 0.000 1 516 102 102 LYS N N 120.884 0.000 1 517 103 103 ASN H H 8.643 0.003 1 518 103 103 ASN HA H 4.681 0.003 1 519 103 103 ASN C C 175.366 0.001 1 520 103 103 ASN CA C 53.363 0.008 1 521 103 103 ASN N N 119.527 0.000 1 522 104 104 GLU H H 8.412 0.003 1 523 104 104 GLU HA H 4.359 0.000 1 524 104 104 GLU C C 176.127 0.000 1 525 104 104 GLU CA C 55.935 0.000 1 526 104 104 GLU N N 120.730 0.000 1 527 105 105 GLU H H 8.441 0.002 1 528 105 105 GLU C C 176.529 0.000 1 529 105 105 GLU CA C 56.144 0.000 1 530 105 105 GLU N N 121.068 0.000 1 531 106 106 GLY H H 8.485 0.002 1 532 106 106 GLY HA2 H 3.927 0.000 1 533 106 106 GLY HA3 H 3.927 0.000 1 534 106 106 GLY C C 173.382 0.001 1 535 106 106 GLY CA C 44.977 0.000 1 536 106 106 GLY N N 110.203 0.000 1 537 107 107 ALA H H 8.191 0.002 1 538 107 107 ALA N N 124.967 0.000 1 539 108 108 PRO HA H 4.421 0.000 1 540 108 108 PRO C C 177.095 0.001 1 541 108 108 PRO CA C 63.168 0.029 1 542 109 109 GLN H H 8.609 0.002 1 543 109 109 GLN HA H 4.287 0.000 1 544 109 109 GLN C C 176.057 0.002 1 545 109 109 GLN CA C 55.754 0.000 1 546 109 109 GLN N N 120.867 0.000 1 547 110 110 GLU H H 8.506 0.000 1 548 110 110 GLU HA H 4.365 0.000 1 549 110 110 GLU C C 176.532 0.006 1 550 110 110 GLU CA C 55.925 0.000 1 551 110 110 GLU N N 121.731 0.000 1 552 111 111 GLY H H 8.521 0.002 1 553 111 111 GLY HA2 H 3.940 0.000 1 554 111 111 GLY HA3 H 3.940 0.000 1 555 111 111 GLY C C 174.053 0.008 1 556 111 111 GLY CA C 45.339 0.000 1 557 111 111 GLY N N 110.227 0.000 1 558 112 112 ILE H H 8.039 0.004 1 559 112 112 ILE HA H 4.159 0.003 1 560 112 112 ILE C C 176.522 0.009 1 561 112 112 ILE CA C 61.258 0.004 1 562 112 112 ILE N N 120.046 0.000 1 563 113 113 LEU H H 8.392 0.001 1 564 113 113 LEU HA H 4.355 0.000 1 565 113 113 LEU C C 177.340 0.002 1 566 113 113 LEU CA C 55.245 0.017 1 567 113 113 LEU N N 125.881 0.000 1 568 114 114 GLU H H 8.356 0.002 1 569 114 114 GLU HA H 4.300 0.000 1 570 114 114 GLU C C 175.613 0.003 1 571 114 114 GLU CA C 55.787 0.000 1 572 114 114 GLU N N 120.812 0.000 1 573 115 115 ASP H H 8.455 0.001 1 574 115 115 ASP HA H 4.688 0.002 1 575 115 115 ASP C C 174.752 0.015 1 576 115 115 ASP CA C 52.883 0.013 1 577 115 115 ASP N N 119.647 0.000 1 578 116 116 MET H H 8.264 0.004 1 579 116 116 MET N N 121.897 0.000 1 580 117 117 PRO HA H 4.452 0.002 1 581 117 117 PRO C C 176.731 0.000 1 582 117 117 PRO CA C 62.896 0.001 1 583 118 118 VAL H H 8.337 0.000 1 584 118 118 VAL HA H 4.028 0.000 1 585 118 118 VAL C C 175.768 0.003 1 586 118 118 VAL CA C 62.237 0.000 1 587 118 118 VAL N N 120.753 0.000 1 588 119 119 ASP H H 8.671 0.001 1 589 119 119 ASP N N 124.003 0.000 1 590 120 120 PRO HA H 4.355 0.001 1 591 120 120 PRO C C 176.871 0.003 1 592 120 120 PRO CA C 63.608 0.055 1 593 121 121 ASP H H 8.404 0.002 1 594 121 121 ASP HA H 4.656 0.001 1 595 121 121 ASP C C 175.141 0.013 1 596 121 121 ASP CA C 53.312 0.038 1 597 121 121 ASP N N 117.745 0.000 1 598 122 122 ASN H H 8.238 0.003 1 599 122 122 ASN HA H 4.704 0.005 1 600 122 122 ASN C C 175.415 0.021 1 601 122 122 ASN CA C 53.422 0.022 1 602 122 122 ASN N N 118.903 0.000 1 603 123 123 GLU H H 8.264 0.004 1 604 123 123 GLU HA H 4.279 0.000 1 605 123 123 GLU C C 175.964 0.013 1 606 123 123 GLU CA C 56.197 0.000 1 607 123 123 GLU N N 120.512 0.000 1 608 124 124 ALA H H 8.295 0.002 1 609 124 124 ALA HA H 4.224 0.000 1 610 124 124 ALA C C 177.478 0.012 1 611 124 124 ALA CA C 52.845 0.000 1 612 124 124 ALA N N 124.090 0.000 1 613 125 125 TYR H H 8.016 0.003 1 614 125 125 TYR HA H 4.506 0.001 1 615 125 125 TYR C C 175.490 0.004 1 616 125 125 TYR CA C 57.826 0.029 1 617 125 125 TYR N N 118.640 0.000 1 618 126 126 GLU H H 8.024 0.002 1 619 126 126 GLU HA H 4.313 0.006 1 620 126 126 GLU C C 175.183 0.002 1 621 126 126 GLU CA C 55.108 0.003 1 622 126 126 GLU N N 122.217 0.000 1 623 127 127 MET H H 8.321 0.002 1 624 127 127 MET N N 122.888 0.000 1 625 128 128 PRO HA H 4.357 0.000 1 626 128 128 PRO C C 177.132 0.000 1 627 128 128 PRO CA C 63.570 0.017 1 628 129 129 SER H H 8.411 0.002 1 629 129 129 SER HA H 4.377 0.002 1 630 129 129 SER C C 174.962 0.002 1 631 129 129 SER CA C 58.575 0.024 1 632 129 129 SER N N 115.367 0.000 1 633 130 130 GLU H H 8.415 0.002 1 634 130 130 GLU HA H 4.376 0.000 1 635 130 130 GLU C C 176.133 0.006 1 636 130 130 GLU CA C 55.903 0.000 1 637 130 130 GLU N N 121.997 0.000 1 638 131 131 GLU H H 8.341 0.004 1 639 131 131 GLU HA H 4.287 0.000 1 640 131 131 GLU C C 176.537 0.000 1 641 131 131 GLU CA C 56.238 0.000 1 642 131 131 GLU N N 120.753 0.000 1 643 132 132 GLY H H 8.427 0.000 1 644 132 132 GLY HA2 H 3.885 0.000 1 645 132 132 GLY HA3 H 3.885 0.000 1 646 132 132 GLY C C 174.028 0.001 1 647 132 132 GLY CA C 45.266 0.000 1 648 132 132 GLY N N 109.892 0.000 1 649 133 133 TYR H H 8.084 0.003 1 650 133 133 TYR HA H 4.505 0.005 1 651 133 133 TYR C C 175.911 0.008 1 652 133 133 TYR CA C 58.180 0.028 1 653 133 133 TYR N N 120.238 0.000 1 654 134 134 GLN H H 8.336 0.002 1 655 134 134 GLN HA H 4.202 0.004 1 656 134 134 GLN C C 175.142 0.000 1 657 134 134 GLN CA C 55.674 0.027 1 658 134 134 GLN N N 122.167 0.000 1 659 135 135 ASP H H 8.357 0.002 1 660 135 135 ASP HA H 4.617 0.004 1 661 135 135 ASP C C 174.625 0.002 1 662 135 135 ASP CA C 52.927 0.018 1 663 135 135 ASP N N 119.900 0.000 1 664 136 136 TYR H H 8.150 0.002 1 665 136 136 TYR HA H 4.533 0.009 1 666 136 136 TYR C C 175.145 0.003 1 667 136 136 TYR CA C 57.896 0.009 1 668 136 136 TYR N N 121.107 0.000 1 669 137 137 GLU H H 8.135 0.002 1 670 137 137 GLU N N 124.103 0.000 1 671 138 138 PRO HA H 4.333 0.006 1 672 138 138 PRO C C 176.772 0.011 1 673 138 138 PRO CA C 62.919 0.026 1 674 139 139 GLU H H 8.488 0.003 1 675 139 139 GLU HA H 4.316 0.000 1 676 139 139 GLU C C 175.556 0.001 1 677 139 139 GLU CA C 55.630 0.000 1 678 139 139 GLU N N 120.789 0.000 1 679 140 140 ALA H H 8.430 0.001 1 680 140 140 ALA HA H 4.279 0.000 1 681 140 140 ALA CA C 52.081 0.000 1 682 140 140 ALA N N 128.025 0.000 1 stop_ save_ save_assigned_chem_shif_list_6 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_3.19 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.130 0.004 1 2 1 1 MET C C 171.894 0.004 1 3 1 1 MET CA C 54.957 0.016 1 4 2 2 ASP H H 8.937 0.001 1 5 2 2 ASP HA H 4.758 0.000 1 6 2 2 ASP C C 175.135 0.004 1 7 2 2 ASP CA C 53.305 0.038 1 8 2 2 ASP N N 123.791 0.000 1 9 3 3 VAL H H 8.356 0.001 1 10 3 3 VAL HA H 4.037 0.000 1 11 3 3 VAL C C 175.823 0.008 1 12 3 3 VAL CA C 62.523 0.000 1 13 3 3 VAL N N 121.218 0.000 1 14 4 4 PHE H H 8.406 0.001 1 15 4 4 PHE HA H 4.605 0.000 1 16 4 4 PHE C C 175.755 0.007 1 17 4 4 PHE CA C 57.889 0.042 1 18 4 4 PHE N N 124.051 0.000 1 19 5 5 MET H H 8.277 0.004 1 20 5 5 MET HA H 4.399 0.001 1 21 5 5 MET C C 175.869 0.015 1 22 5 5 MET CA C 55.209 0.058 1 23 5 5 MET N N 122.773 0.000 1 24 6 6 LYS H H 8.354 0.001 1 25 6 6 LYS HA H 4.199 0.005 1 26 6 6 LYS C C 177.165 0.004 1 27 6 6 LYS CA C 56.891 0.031 1 28 6 6 LYS N N 123.031 0.000 1 29 7 7 GLY H H 8.490 0.003 1 30 7 7 GLY HA2 H 3.938 0.000 1 31 7 7 GLY HA3 H 3.938 0.000 1 32 7 7 GLY C C 174.190 0.006 1 33 7 7 GLY CA C 45.288 0.000 1 34 7 7 GLY N N 110.118 0.000 1 35 8 8 LEU H H 8.144 0.003 1 36 8 8 LEU HA H 4.381 0.001 1 37 8 8 LEU C C 177.704 0.007 1 38 8 8 LEU CA C 55.108 0.005 1 39 8 8 LEU N N 121.725 0.000 1 40 9 9 SER H H 8.403 0.001 1 41 9 9 SER HA H 4.413 0.001 1 42 9 9 SER C C 174.721 0.015 1 43 9 9 SER CA C 58.343 0.030 1 44 9 9 SER N N 116.999 0.000 1 45 10 10 LYS H H 8.479 0.002 1 46 10 10 LYS HA H 4.356 0.000 1 47 10 10 LYS C C 176.744 0.001 1 48 10 10 LYS CA C 56.495 0.000 1 49 10 10 LYS N N 123.889 0.000 1 50 11 11 ALA H H 8.350 0.001 1 51 11 11 ALA HA H 4.244 0.000 1 52 11 11 ALA C C 178.074 0.003 1 53 11 11 ALA CA C 52.830 0.000 1 54 11 11 ALA N N 125.058 0.000 1 55 12 12 LYS H H 8.395 0.001 1 56 12 12 LYS HA H 4.252 0.000 1 57 12 12 LYS C C 176.841 0.006 1 58 12 12 LYS CA C 56.471 0.000 1 59 12 12 LYS N N 120.939 0.000 1 60 13 13 GLU H H 8.448 0.001 1 61 13 13 GLU C C 176.755 0.000 1 62 13 13 GLU CA C 56.221 0.000 1 63 13 13 GLU N N 121.826 0.000 1 64 14 14 GLY H H 8.528 0.001 1 65 14 14 GLY C C 174.052 0.000 1 66 14 14 GLY CA C 45.258 0.000 1 67 14 14 GLY N N 110.319 0.000 1 68 15 15 VAL H H 8.070 0.001 1 69 15 15 VAL HA H 4.070 0.000 1 70 15 15 VAL C C 176.685 0.006 1 71 15 15 VAL CA C 62.723 0.000 1 72 15 15 VAL N N 120.377 0.000 1 73 16 16 VAL H H 8.364 0.000 1 74 16 16 VAL HA H 4.040 0.000 1 75 16 16 VAL C C 176.200 0.002 1 76 16 16 VAL CA C 62.644 0.000 1 77 16 16 VAL N N 125.526 0.000 1 78 17 17 ALA H H 8.516 0.001 1 79 17 17 ALA HA H 4.247 0.000 1 80 17 17 ALA C C 177.915 0.003 1 81 17 17 ALA CA C 52.747 0.000 1 82 17 17 ALA N N 128.450 0.000 1 83 18 18 ALA H H 8.374 0.001 1 84 18 18 ALA HA H 4.220 0.000 1 85 18 18 ALA C C 178.032 0.006 1 86 18 18 ALA CA C 52.764 0.000 1 87 18 18 ALA N N 123.621 0.000 1 88 19 19 ALA H H 8.322 0.001 1 89 19 19 ALA HA H 4.265 0.000 1 90 19 19 ALA C C 178.243 0.002 1 91 19 19 ALA CA C 52.745 0.000 1 92 19 19 ALA N N 123.088 0.000 1 93 20 20 GLU H H 8.334 0.001 1 94 20 20 GLU C C 176.545 0.000 1 95 20 20 GLU CA C 56.088 0.000 1 96 20 20 GLU N N 119.736 0.000 1 97 21 21 LYS H H 8.407 0.000 1 98 21 21 LYS HA H 4.347 0.000 1 99 21 21 LYS C C 177.132 0.001 1 100 21 21 LYS CA C 56.696 0.000 1 101 21 21 LYS N N 122.659 0.000 1 102 22 22 THR H H 8.225 0.001 1 103 22 22 THR HA H 4.292 0.000 1 104 22 22 THR C C 174.708 0.001 1 105 22 22 THR CA C 62.200 0.000 1 106 22 22 THR N N 115.739 0.000 1 107 23 23 LYS H H 8.472 0.002 1 108 23 23 LYS HA H 4.289 0.000 1 109 23 23 LYS C C 176.770 0.001 1 110 23 23 LYS CA C 56.749 0.000 1 111 23 23 LYS N N 124.015 0.000 1 112 24 24 GLN H H 8.522 0.000 1 113 24 24 GLN HA H 4.302 0.000 1 114 24 24 GLN C C 176.653 0.002 1 115 24 24 GLN CA C 56.227 0.000 1 116 24 24 GLN N N 122.043 0.000 1 117 25 25 GLY H H 8.531 0.000 1 118 25 25 GLY HA2 H 3.998 0.000 1 119 25 25 GLY HA3 H 3.998 0.000 1 120 25 25 GLY C C 174.287 0.012 1 121 25 25 GLY CA C 45.327 0.000 1 122 25 25 GLY N N 110.614 0.000 1 123 26 26 VAL H H 8.102 0.001 1 124 26 26 VAL HA H 4.083 0.000 1 125 26 26 VAL C C 176.394 0.005 1 126 26 26 VAL CA C 62.588 0.000 1 127 26 26 VAL N N 119.995 0.000 1 128 27 27 ALA H H 8.499 0.001 1 129 27 27 ALA HA H 4.288 0.000 1 130 27 27 ALA C C 178.091 0.000 1 131 27 27 ALA CA C 52.771 0.000 1 132 27 27 ALA N N 127.645 0.000 1 133 28 28 GLU H H 8.412 0.001 1 134 28 28 GLU HA H 4.280 0.000 1 135 28 28 GLU C C 176.240 0.004 1 136 28 28 GLU CA C 55.977 0.000 1 137 28 28 GLU N N 120.275 0.000 1 138 29 29 ALA H H 8.393 0.001 1 139 29 29 ALA HA H 4.262 0.000 1 140 29 29 ALA C C 177.709 0.001 1 141 29 29 ALA CA C 52.612 0.000 1 142 29 29 ALA N N 125.426 0.000 1 143 30 30 ALA H H 8.358 0.001 1 144 30 30 ALA HA H 4.287 0.000 1 145 30 30 ALA C C 178.542 0.009 1 146 30 30 ALA CA C 52.807 0.000 1 147 30 30 ALA N N 123.546 0.000 1 148 31 31 GLY H H 8.406 0.002 1 149 31 31 GLY HA2 H 3.934 0.000 1 150 31 31 GLY HA3 H 3.934 0.000 1 151 31 31 GLY C C 174.283 0.005 1 152 31 31 GLY CA C 45.289 0.000 1 153 31 31 GLY N N 108.016 0.000 1 154 32 32 LYS H H 8.231 0.003 1 155 32 32 LYS HA H 4.405 0.000 1 156 32 32 LYS C C 177.099 0.007 1 157 32 32 LYS CA C 56.299 0.027 1 158 32 32 LYS N N 120.842 0.000 1 159 33 33 THR H H 8.273 0.002 1 160 33 33 THR HA H 4.312 0.000 1 161 33 33 THR C C 174.615 0.007 1 162 33 33 THR CA C 62.027 0.000 1 163 33 33 THR N N 115.846 0.000 1 164 34 34 LYS H H 8.529 0.001 1 165 34 34 LYS C C 176.510 0.000 1 166 34 34 LYS CA C 56.476 0.000 1 167 34 34 LYS N N 124.221 0.000 1 168 35 35 GLU H H 8.475 0.001 1 169 35 35 GLU HA H 4.341 0.000 1 170 35 35 GLU C C 176.593 0.003 1 171 35 35 GLU CA C 55.978 0.000 1 172 35 35 GLU N N 121.951 0.000 1 173 36 36 GLY H H 8.520 0.000 1 174 36 36 GLY HA2 H 3.955 0.000 1 175 36 36 GLY HA3 H 3.955 0.000 1 176 36 36 GLY C C 173.974 0.013 1 177 36 36 GLY CA C 45.194 0.000 1 178 36 36 GLY N N 110.481 0.000 1 179 37 37 VAL H H 8.056 0.001 1 180 37 37 VAL HA H 4.070 0.000 1 181 37 37 VAL C C 176.060 0.004 1 182 37 37 VAL CA C 62.373 0.000 1 183 37 37 VAL N N 119.724 0.000 1 184 38 38 LEU H H 8.371 0.001 1 185 38 38 LEU HA H 4.342 0.001 1 186 38 38 LEU C C 176.702 0.009 1 187 38 38 LEU CA C 54.912 0.032 1 188 38 38 LEU N N 126.128 0.000 1 189 39 39 TYR H H 8.368 0.001 1 190 39 39 TYR HA H 4.567 0.002 1 191 39 39 TYR C C 175.625 0.014 1 192 39 39 TYR CA C 57.931 0.022 1 193 39 39 TYR N N 122.849 0.000 1 194 40 40 VAL H H 8.138 0.001 1 195 40 40 VAL HA H 4.052 0.000 1 196 40 40 VAL C C 176.142 0.004 1 197 40 40 VAL CA C 62.155 0.000 1 198 40 40 VAL N N 123.952 0.000 1 199 41 41 GLY H H 8.089 0.000 1 200 41 41 GLY HA2 H 3.929 0.000 1 201 41 41 GLY HA3 H 3.929 0.000 1 202 41 41 GLY C C 173.983 0.001 1 203 41 41 GLY CA C 45.148 0.000 1 204 41 41 GLY N N 112.280 0.000 1 205 42 42 SER H H 8.328 0.001 1 206 42 42 SER HA H 4.431 0.000 1 207 42 42 SER C C 174.921 0.032 1 208 42 42 SER CA C 58.353 0.025 1 209 42 42 SER N N 115.647 0.000 1 210 43 43 LYS H H 8.586 0.001 1 211 43 43 LYS HA H 4.407 0.001 1 212 43 43 LYS C C 176.967 0.003 1 213 43 43 LYS CA C 56.493 0.042 1 214 43 43 LYS N N 123.666 0.000 1 215 44 44 THR H H 8.216 0.001 1 216 44 44 THR HA H 4.289 0.000 1 217 44 44 THR C C 174.534 0.009 1 218 44 44 THR CA C 62.054 0.000 1 219 44 44 THR N N 115.738 0.000 1 220 45 45 LYS H H 8.489 0.000 1 221 45 45 LYS HA H 4.297 0.000 1 222 45 45 LYS C C 176.524 0.010 1 223 45 45 LYS CA C 56.452 0.000 1 224 45 45 LYS N N 124.269 0.000 1 225 46 46 GLU H H 8.486 0.001 1 226 46 46 GLU HA H 4.341 0.000 1 227 46 46 GLU C C 176.593 0.003 1 228 46 46 GLU CA C 55.974 0.000 1 229 46 46 GLU N N 122.109 0.000 1 230 47 47 GLY H H 8.518 0.001 1 231 47 47 GLY HA2 H 3.910 0.000 1 232 47 47 GLY HA3 H 3.910 0.000 1 233 47 47 GLY C C 173.796 0.004 1 234 47 47 GLY CA C 45.135 0.000 1 235 47 47 GLY N N 110.604 0.000 1 236 48 48 VAL H H 8.073 0.000 1 237 48 48 VAL HA H 4.087 0.000 1 238 48 48 VAL C C 176.188 0.009 1 239 48 48 VAL CA C 62.273 0.000 1 240 48 48 VAL N N 120.042 0.000 1 241 49 49 VAL H H 8.392 0.000 1 242 49 49 VAL HA H 4.060 0.000 1 243 49 49 VAL C C 175.990 0.001 1 244 49 49 VAL CA C 62.245 0.000 1 245 49 49 VAL N N 125.426 0.000 1 246 50 50 HIS H H 8.804 0.001 1 247 50 50 HIS HA H 4.739 0.000 1 248 50 50 HIS C C 174.720 0.005 1 249 50 50 HIS CA C 55.101 0.034 1 250 50 50 HIS N N 123.622 0.000 1 251 51 51 GLY H H 8.561 0.002 1 252 51 51 GLY HA2 H 4.004 0.000 1 253 51 51 GLY HA3 H 4.004 0.000 1 254 51 51 GLY C C 173.745 0.007 1 255 51 51 GLY CA C 45.055 0.000 1 256 51 51 GLY N N 110.842 0.000 1 257 52 52 VAL H H 8.207 0.002 1 258 52 52 VAL HA H 4.149 0.002 1 259 52 52 VAL C C 176.024 0.001 1 260 52 52 VAL CA C 61.979 0.041 1 261 52 52 VAL N N 119.842 0.000 1 262 53 53 ALA H H 8.591 0.000 1 263 53 53 ALA HA H 4.408 0.000 1 264 53 53 ALA C C 177.913 0.000 1 265 53 53 ALA CA C 52.404 0.019 1 266 53 53 ALA N N 128.624 0.000 1 267 54 54 THR H H 8.291 0.000 1 268 54 54 THR HA H 4.312 0.000 1 269 54 54 THR C C 174.630 0.007 1 270 54 54 THR CA C 61.856 0.000 1 271 54 54 THR N N 115.149 0.000 1 272 55 55 VAL H H 8.342 0.001 1 273 55 55 VAL C C 175.991 0.000 1 274 55 55 VAL CA C 62.509 0.000 1 275 55 55 VAL N N 123.415 0.000 1 276 56 56 ALA H H 8.511 0.000 1 277 56 56 ALA HA H 4.284 0.000 1 278 56 56 ALA C C 177.894 0.002 1 279 56 56 ALA CA C 52.620 0.000 1 280 56 56 ALA N N 128.147 0.000 1 281 57 57 GLU H H 8.399 0.002 1 282 57 57 GLU HA H 4.268 0.000 1 283 57 57 GLU C C 176.467 0.007 1 284 57 57 GLU CA C 55.953 0.000 1 285 57 57 GLU N N 120.502 0.000 1 286 58 58 LYS H H 8.516 0.000 1 287 58 58 LYS HA H 4.340 0.000 1 288 58 58 LYS C C 177.029 0.003 1 289 58 58 LYS CA C 56.665 0.000 1 290 58 58 LYS N N 123.034 0.000 1 291 59 59 THR H H 8.252 0.001 1 292 59 59 THR HA H 4.284 0.000 1 293 59 59 THR C C 174.600 0.008 1 294 59 59 THR CA C 62.215 0.000 1 295 59 59 THR N N 116.063 0.000 1 296 60 60 LYS H H 8.448 0.002 1 297 60 60 LYS HA H 4.292 0.000 1 298 60 60 LYS C C 176.651 0.000 1 299 60 60 LYS CA C 56.596 0.000 1 300 60 60 LYS N N 123.908 0.000 1 301 61 61 GLU H H 8.429 0.002 1 302 61 61 GLU C C 176.025 0.000 1 303 61 61 GLU CA C 55.917 0.000 1 304 61 61 GLU N N 121.914 0.000 1 305 62 62 GLN H H 8.503 0.002 1 306 62 62 GLN HA H 4.349 0.000 1 307 62 62 GLN C C 175.930 0.004 1 308 62 62 GLN CA C 55.788 0.000 1 309 62 62 GLN N N 122.365 0.000 1 310 63 63 VAL H H 8.387 0.002 1 311 63 63 VAL HA H 4.197 0.001 1 312 63 63 VAL C C 176.372 0.000 1 313 63 63 VAL CA C 62.337 0.047 1 314 63 63 VAL N N 122.237 0.000 1 315 64 64 THR H H 8.379 0.001 1 316 64 64 THR HA H 4.359 0.000 1 317 64 64 THR C C 174.043 0.006 1 318 64 64 THR CA C 61.749 0.000 1 319 64 64 THR N N 118.427 0.000 1 320 65 65 ASN H H 8.607 0.000 1 321 65 65 ASN HA H 4.810 0.002 1 322 65 65 ASN C C 175.269 0.016 1 323 65 65 ASN CA C 53.146 0.031 1 324 65 65 ASN N N 122.014 0.000 1 325 66 66 VAL H H 8.331 0.001 1 326 66 66 VAL HA H 4.122 0.000 1 327 66 66 VAL C C 176.893 0.011 1 328 66 66 VAL CA C 62.646 0.040 1 329 66 66 VAL N N 120.989 0.000 1 330 67 67 GLY H H 8.632 0.001 1 331 67 67 GLY HA2 H 3.967 0.000 1 332 67 67 GLY HA3 H 3.967 0.000 1 333 67 67 GLY C C 174.685 0.002 1 334 67 67 GLY CA C 45.316 0.000 1 335 67 67 GLY N N 112.842 0.000 1 336 68 68 GLY H H 8.306 0.004 1 337 68 68 GLY HA2 H 3.940 0.000 1 338 68 68 GLY HA3 H 3.940 0.000 1 339 68 68 GLY C C 173.756 0.005 1 340 68 68 GLY CA C 44.998 0.000 1 341 68 68 GLY N N 108.926 0.000 1 342 69 69 ALA H H 8.243 0.001 1 343 69 69 ALA HA H 4.351 0.000 1 344 69 69 ALA C C 177.722 0.004 1 345 69 69 ALA CA C 52.276 0.000 1 346 69 69 ALA N N 123.888 0.000 1 347 70 70 VAL H H 8.309 0.001 1 348 70 70 VAL HA H 4.067 0.000 1 349 70 70 VAL C C 176.397 0.002 1 350 70 70 VAL CA C 62.429 0.000 1 351 70 70 VAL N N 120.814 0.000 1 352 71 71 VAL H H 8.491 0.002 1 353 71 71 VAL HA H 4.213 0.001 1 354 71 71 VAL C C 176.356 0.003 1 355 71 71 VAL CA C 62.123 0.021 1 356 71 71 VAL N N 125.804 0.000 1 357 72 72 THR H H 8.399 0.001 1 358 72 72 THR HA H 4.364 0.000 1 359 72 72 THR C C 174.935 0.006 1 360 72 72 THR CA C 61.894 0.000 1 361 72 72 THR N N 119.027 0.000 1 362 73 73 GLY H H 8.514 0.000 1 363 73 73 GLY HA2 H 3.990 0.000 1 364 73 73 GLY HA3 H 3.990 0.000 1 365 73 73 GLY C C 174.036 0.001 1 366 73 73 GLY CA C 45.211 0.000 1 367 73 73 GLY N N 111.501 0.000 1 368 74 74 VAL H H 8.167 0.002 1 369 74 74 VAL HA H 4.184 0.002 1 370 74 74 VAL C C 176.635 0.001 1 371 74 74 VAL CA C 62.322 0.022 1 372 74 74 VAL N N 119.712 0.000 1 373 75 75 THR H H 8.387 0.001 1 374 75 75 THR HA H 4.300 0.000 1 375 75 75 THR C C 174.111 0.009 1 376 75 75 THR CA C 61.974 0.000 1 377 75 75 THR N N 119.353 0.000 1 378 76 76 ALA H H 8.461 0.001 1 379 76 76 ALA HA H 4.333 0.001 1 380 76 76 ALA C C 177.649 0.005 1 381 76 76 ALA CA C 52.471 0.003 1 382 76 76 ALA N N 127.650 0.000 1 383 77 77 VAL H H 8.240 0.002 1 384 77 77 VAL HA H 4.039 0.000 1 385 77 77 VAL C C 176.108 0.003 1 386 77 77 VAL CA C 62.273 0.000 1 387 77 77 VAL N N 120.409 0.000 1 388 78 78 ALA H H 8.496 0.002 1 389 78 78 ALA HA H 4.288 0.000 1 390 78 78 ALA C C 177.740 0.003 1 391 78 78 ALA CA C 52.518 0.000 1 392 78 78 ALA N N 128.417 0.000 1 393 79 79 GLN H H 8.483 0.002 1 394 79 79 GLN HA H 4.287 0.000 1 395 79 79 GLN C C 176.062 0.003 1 396 79 79 GLN CA C 55.702 0.000 1 397 79 79 GLN N N 120.506 0.000 1 398 80 80 LYS H H 8.510 0.001 1 399 80 80 LYS HA H 4.356 0.000 1 400 80 80 LYS C C 176.744 0.001 1 401 80 80 LYS CA C 56.425 0.000 1 402 80 80 LYS N N 123.403 0.000 1 403 81 81 THR H H 8.344 0.001 1 404 81 81 THR HA H 4.343 0.000 1 405 81 81 THR C C 174.439 0.005 1 406 81 81 THR CA C 61.991 0.000 1 407 81 81 THR N N 117.042 0.000 1 408 82 82 VAL H H 8.393 0.002 1 409 82 82 VAL HA H 4.114 0.000 1 410 82 82 VAL C C 176.151 0.001 1 411 82 82 VAL CA C 62.317 0.000 1 412 82 82 VAL N N 123.577 0.000 1 413 83 83 GLU H H 8.600 0.001 1 414 83 83 GLU HA H 4.362 0.000 1 415 83 83 GLU C C 176.611 0.001 1 416 83 83 GLU CA C 55.968 0.000 1 417 83 83 GLU N N 125.004 0.000 1 418 84 84 GLY H H 8.589 0.002 1 419 84 84 GLY HA2 H 3.956 0.000 1 420 84 84 GLY HA3 H 3.956 0.000 1 421 84 84 GLY C C 174.067 0.005 1 422 84 84 GLY CA C 45.187 0.000 1 423 84 84 GLY N N 110.949 0.000 1 424 85 85 ALA H H 8.377 0.003 1 425 85 85 ALA HA H 4.309 0.000 1 426 85 85 ALA C C 178.591 0.001 1 427 85 85 ALA CA C 52.909 0.000 1 428 85 85 ALA N N 124.116 0.000 1 429 86 86 GLY H H 8.584 0.003 1 430 86 86 GLY HA2 H 3.966 0.000 1 431 86 86 GLY HA3 H 3.966 0.000 1 432 86 86 GLY C C 174.342 0.007 1 433 86 86 GLY CA C 45.229 0.000 1 434 86 86 GLY N N 108.332 0.000 1 435 87 87 SER H H 8.218 0.001 1 436 87 87 SER HA H 4.459 0.000 1 437 87 87 SER C C 174.737 0.005 1 438 87 87 SER CA C 58.389 0.044 1 439 87 87 SER N N 115.786 0.000 1 440 88 88 ILE H H 8.266 0.001 1 441 88 88 ILE HA H 4.160 0.002 1 442 88 88 ILE C C 176.344 0.002 1 443 88 88 ILE CA C 61.275 0.052 1 444 88 88 ILE N N 122.949 0.000 1 445 89 89 ALA H H 8.422 0.003 1 446 89 89 ALA HA H 4.244 0.000 1 447 89 89 ALA C C 177.637 0.001 1 448 89 89 ALA CA C 52.612 0.000 1 449 89 89 ALA N N 128.267 0.000 1 450 90 90 ALA H H 8.291 0.000 1 451 90 90 ALA HA H 4.240 0.000 1 452 90 90 ALA C C 177.797 0.003 1 453 90 90 ALA CA C 52.426 0.000 1 454 90 90 ALA N N 123.524 0.000 1 455 91 91 ALA H H 8.369 0.000 1 456 91 91 ALA HA H 4.351 0.001 1 457 91 91 ALA C C 178.207 0.003 1 458 91 91 ALA CA C 52.650 0.001 1 459 91 91 ALA N N 123.617 0.000 1 460 92 92 THR H H 8.170 0.001 1 461 92 92 THR HA H 4.299 0.000 1 462 92 92 THR C C 175.213 0.009 1 463 92 92 THR CA C 62.037 0.000 1 464 92 92 THR N N 112.908 0.000 1 465 93 93 GLY H H 8.376 0.002 1 466 93 93 GLY HA2 H 3.907 0.000 1 467 93 93 GLY HA3 H 3.907 0.000 1 468 93 93 GLY C C 173.714 0.000 1 469 93 93 GLY CA C 45.159 0.000 1 470 93 93 GLY N N 110.770 0.000 1 471 94 94 PHE H H 8.164 0.001 1 472 94 94 PHE HA H 4.606 0.000 1 473 94 94 PHE C C 175.630 0.019 1 474 94 94 PHE CA C 57.861 0.014 1 475 94 94 PHE N N 120.440 0.000 1 476 95 95 VAL H H 8.113 0.001 1 477 95 95 VAL HA H 4.004 0.000 1 478 95 95 VAL C C 175.587 0.008 1 479 95 95 VAL CA C 62.099 0.000 1 480 95 95 VAL N N 123.805 0.000 1 481 96 96 LYS H H 8.454 0.000 1 482 96 96 LYS HA H 4.207 0.004 1 483 96 96 LYS C C 176.565 0.004 1 484 96 96 LYS CA C 56.452 0.007 1 485 96 96 LYS N N 126.379 0.000 1 486 97 97 LYS H H 8.497 0.000 1 487 97 97 LYS HA H 4.272 0.000 1 488 97 97 LYS C C 176.493 0.006 1 489 97 97 LYS CA C 56.551 0.000 1 490 97 97 LYS N N 123.410 0.000 1 491 98 98 ASP H H 8.560 0.002 1 492 98 98 ASP HA H 4.628 0.000 1 493 98 98 ASP C C 175.535 0.014 1 494 98 98 ASP CA C 53.473 0.025 1 495 98 98 ASP N N 120.498 0.000 1 496 99 99 GLN H H 8.453 0.001 1 497 99 99 GLN HA H 4.311 0.000 1 498 99 99 GLN C C 175.976 0.008 1 499 99 99 GLN CA C 55.884 0.000 1 500 99 99 GLN N N 120.844 0.000 1 501 100 100 LEU H H 8.323 0.002 1 502 100 100 LEU HA H 4.333 0.000 1 503 100 100 LEU C C 177.985 0.001 1 504 100 100 LEU CA C 55.331 0.044 1 505 100 100 LEU N N 123.088 0.000 1 506 101 101 GLY H H 8.472 0.001 1 507 101 101 GLY HA2 H 3.938 0.000 1 508 101 101 GLY HA3 H 3.938 0.000 1 509 101 101 GLY C C 174.212 0.016 1 510 101 101 GLY CA C 45.306 0.000 1 511 101 101 GLY N N 109.727 0.000 1 512 102 102 LYS H H 8.271 0.001 1 513 102 102 LYS HA H 4.301 0.000 1 514 102 102 LYS C C 176.596 0.003 1 515 102 102 LYS CA C 56.393 0.000 1 516 102 102 LYS N N 120.816 0.000 1 517 103 103 ASN H H 8.646 0.002 1 518 103 103 ASN HA H 4.691 0.002 1 519 103 103 ASN C C 175.352 0.027 1 520 103 103 ASN CA C 53.361 0.018 1 521 103 103 ASN N N 119.528 0.000 1 522 104 104 GLU H H 8.420 0.001 1 523 104 104 GLU HA H 4.359 0.000 1 524 104 104 GLU C C 176.132 0.006 1 525 104 104 GLU CA C 55.907 0.000 1 526 104 104 GLU N N 120.723 0.000 1 527 105 105 GLU H H 8.440 0.001 1 528 105 105 GLU C C 176.547 0.000 1 529 105 105 GLU CA C 56.169 0.000 1 530 105 105 GLU N N 121.082 0.000 1 531 106 106 GLY H H 8.480 0.001 1 532 106 106 GLY HA2 H 3.928 0.000 1 533 106 106 GLY HA3 H 3.928 0.000 1 534 106 106 GLY C C 173.383 0.000 1 535 106 106 GLY CA C 44.985 0.000 1 536 106 106 GLY N N 110.210 0.000 1 537 107 107 ALA H H 8.184 0.001 1 538 107 107 ALA N N 124.909 0.000 1 539 108 108 PRO HA H 4.421 0.000 1 540 108 108 PRO C C 177.092 0.004 1 541 108 108 PRO CA C 63.170 0.041 1 542 109 109 GLN H H 8.608 0.000 1 543 109 109 GLN HA H 4.287 0.000 1 544 109 109 GLN C C 176.065 0.000 1 545 109 109 GLN CA C 55.754 0.000 1 546 109 109 GLN N N 120.824 0.000 1 547 110 110 GLU H H 8.511 0.003 1 548 110 110 GLU HA H 4.365 0.000 1 549 110 110 GLU C C 176.531 0.007 1 550 110 110 GLU CA C 55.941 0.000 1 551 110 110 GLU N N 121.749 0.000 1 552 111 111 GLY H H 8.525 0.001 1 553 111 111 GLY HA2 H 3.940 0.000 1 554 111 111 GLY HA3 H 3.940 0.000 1 555 111 111 GLY C C 174.046 0.001 1 556 111 111 GLY CA C 45.323 0.000 1 557 111 111 GLY N N 110.234 0.000 1 558 112 112 ILE H H 8.034 0.004 1 559 112 112 ILE HA H 4.163 0.001 1 560 112 112 ILE C C 176.510 0.005 1 561 112 112 ILE CA C 61.233 0.010 1 562 112 112 ILE N N 119.973 0.000 1 563 113 113 LEU H H 8.390 0.002 1 564 113 113 LEU HA H 4.357 0.000 1 565 113 113 LEU C C 177.325 0.006 1 566 113 113 LEU CA C 55.267 0.000 1 567 113 113 LEU N N 125.880 0.000 1 568 114 114 GLU H H 8.357 0.002 1 569 114 114 GLU HA H 4.328 0.000 1 570 114 114 GLU C C 175.617 0.022 1 571 114 114 GLU CA C 55.797 0.000 1 572 114 114 GLU N N 120.816 0.000 1 573 115 115 ASP H H 8.454 0.001 1 574 115 115 ASP HA H 4.687 0.013 1 575 115 115 ASP C C 174.781 0.010 1 576 115 115 ASP CA C 53.007 0.030 1 577 115 115 ASP N N 119.657 0.000 1 578 116 116 MET H H 8.263 0.000 1 579 116 116 MET N N 121.865 0.000 1 580 117 117 PRO HA H 4.449 0.000 1 581 117 117 PRO C C 176.737 0.013 1 582 117 117 PRO CA C 62.949 0.029 1 583 118 118 VAL H H 8.344 0.002 1 584 118 118 VAL HA H 4.028 0.000 1 585 118 118 VAL C C 175.768 0.003 1 586 118 118 VAL CA C 62.215 0.000 1 587 118 118 VAL N N 120.713 0.000 1 588 119 119 ASP H H 8.660 0.002 1 589 119 119 ASP N N 124.089 0.000 1 590 120 120 PRO HA H 4.355 0.001 1 591 120 120 PRO C C 176.892 0.003 1 592 120 120 PRO CA C 63.609 0.062 1 593 121 121 ASP H H 8.400 0.000 1 594 121 121 ASP HA H 4.656 0.000 1 595 121 121 ASP C C 175.204 0.007 1 596 121 121 ASP CA C 53.354 0.003 1 597 121 121 ASP N N 117.735 0.000 1 598 122 122 ASN H H 8.230 0.001 1 599 122 122 ASN HA H 4.705 0.009 1 600 122 122 ASN C C 175.412 0.002 1 601 122 122 ASN CA C 53.380 0.033 1 602 122 122 ASN N N 118.858 0.000 1 603 123 123 GLU H H 8.269 0.001 1 604 123 123 GLU HA H 4.276 0.000 1 605 123 123 GLU C C 175.980 0.011 1 606 123 123 GLU CA C 56.201 0.000 1 607 123 123 GLU N N 120.503 0.000 1 608 124 124 ALA H H 8.289 0.002 1 609 124 124 ALA HA H 4.232 0.000 1 610 124 124 ALA C C 177.525 0.023 1 611 124 124 ALA CA C 52.845 0.000 1 612 124 124 ALA N N 124.004 0.000 1 613 125 125 TYR H H 8.016 0.002 1 614 125 125 TYR HA H 4.505 0.002 1 615 125 125 TYR C C 175.493 0.000 1 616 125 125 TYR CA C 57.832 0.035 1 617 125 125 TYR N N 118.640 0.000 1 618 126 126 GLU H H 8.021 0.002 1 619 126 126 GLU HA H 4.309 0.000 1 620 126 126 GLU C C 175.195 0.008 1 621 126 126 GLU CA C 55.106 0.009 1 622 126 126 GLU N N 122.171 0.000 1 623 127 127 MET H H 8.321 0.004 1 624 127 127 MET N N 122.830 0.000 1 625 128 128 PRO HA H 4.357 0.000 1 626 128 128 PRO C C 177.124 0.004 1 627 128 128 PRO CA C 63.567 0.020 1 628 129 129 SER H H 8.412 0.003 1 629 129 129 SER HA H 4.374 0.001 1 630 129 129 SER C C 174.963 0.003 1 631 129 129 SER CA C 58.567 0.048 1 632 129 129 SER N N 115.366 0.000 1 633 130 130 GLU H H 8.418 0.000 1 634 130 130 GLU HA H 4.376 0.000 1 635 130 130 GLU C C 176.142 0.002 1 636 130 130 GLU CA C 55.921 0.000 1 637 130 130 GLU N N 121.963 0.000 1 638 131 131 GLU H H 8.344 0.003 1 639 131 131 GLU HA H 4.287 0.000 1 640 131 131 GLU C C 176.558 0.008 1 641 131 131 GLU CA C 56.248 0.000 1 642 131 131 GLU N N 120.726 0.000 1 643 132 132 GLY H H 8.427 0.001 1 644 132 132 GLY HA2 H 3.885 0.000 1 645 132 132 GLY HA3 H 3.885 0.000 1 646 132 132 GLY C C 174.029 0.002 1 647 132 132 GLY CA C 45.217 0.000 1 648 132 132 GLY N N 109.836 0.000 1 649 133 133 TYR H H 8.085 0.000 1 650 133 133 TYR HA H 4.505 0.001 1 651 133 133 TYR C C 175.915 0.001 1 652 133 133 TYR CA C 58.194 0.041 1 653 133 133 TYR N N 120.229 0.000 1 654 134 134 GLN H H 8.330 0.003 1 655 134 134 GLN HA H 4.201 0.002 1 656 134 134 GLN C C 175.127 0.008 1 657 134 134 GLN CA C 55.663 0.034 1 658 134 134 GLN N N 122.151 0.000 1 659 135 135 ASP H H 8.357 0.001 1 660 135 135 ASP HA H 4.620 0.000 1 661 135 135 ASP C C 174.665 0.002 1 662 135 135 ASP CA C 52.962 0.023 1 663 135 135 ASP N N 119.907 0.000 1 664 136 136 TYR H H 8.149 0.000 1 665 136 136 TYR HA H 4.536 0.006 1 666 136 136 TYR C C 175.161 0.007 1 667 136 136 TYR CA C 57.893 0.006 1 668 136 136 TYR N N 121.059 0.000 1 669 137 137 GLU H H 8.133 0.001 1 670 137 137 GLU N N 124.071 0.000 1 671 138 138 PRO HA H 4.336 0.000 1 672 138 138 PRO C C 176.776 0.012 1 673 138 138 PRO CA C 62.910 0.032 1 674 139 139 GLU H H 8.487 0.002 1 675 139 139 GLU HA H 4.317 0.000 1 676 139 139 GLU C C 175.524 0.004 1 677 139 139 GLU CA C 55.649 0.000 1 678 139 139 GLU N N 120.780 0.000 1 679 140 140 ALA H H 8.407 0.002 1 680 140 140 ALA HA H 4.260 0.002 1 681 140 140 ALA C C 173.877 0.000 1 682 140 140 ALA CA C 52.240 0.000 1 683 140 140 ALA N N 128.196 0.000 1 stop_ save_ save_assigned_chem_shif_list_7 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_3.38 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.130 0.001 1 2 1 1 MET C C 171.883 0.002 1 3 1 1 MET CA C 54.945 0.018 1 4 2 2 ASP H H 8.924 0.001 1 5 2 2 ASP HA H 4.750 0.000 1 6 2 2 ASP C C 175.294 0.027 1 7 2 2 ASP CA C 53.484 0.024 1 8 2 2 ASP N N 123.994 0.000 1 9 3 3 VAL H H 8.363 0.005 1 10 3 3 VAL HA H 4.033 0.000 1 11 3 3 VAL C C 175.849 0.002 1 12 3 3 VAL CA C 62.525 0.000 1 13 3 3 VAL N N 121.135 0.000 1 14 4 4 PHE H H 8.415 0.001 1 15 4 4 PHE HA H 4.606 0.002 1 16 4 4 PHE C C 175.778 0.001 1 17 4 4 PHE CA C 57.889 0.035 1 18 4 4 PHE N N 124.021 0.000 1 19 5 5 MET H H 8.284 0.001 1 20 5 5 MET HA H 4.402 0.001 1 21 5 5 MET C C 175.886 0.009 1 22 5 5 MET CA C 55.221 0.070 1 23 5 5 MET N N 122.763 0.000 1 24 6 6 LYS H H 8.355 0.003 1 25 6 6 LYS HA H 4.202 0.002 1 26 6 6 LYS C C 177.172 0.004 1 27 6 6 LYS CA C 56.898 0.021 1 28 6 6 LYS N N 123.031 0.000 1 29 7 7 GLY H H 8.491 0.000 1 30 7 7 GLY HA2 H 3.939 0.000 1 31 7 7 GLY HA3 H 3.939 0.000 1 32 7 7 GLY C C 174.196 0.006 1 33 7 7 GLY CA C 45.288 0.000 1 34 7 7 GLY N N 110.125 0.000 1 35 8 8 LEU H H 8.147 0.002 1 36 8 8 LEU HA H 4.381 0.001 1 37 8 8 LEU C C 177.714 0.003 1 38 8 8 LEU CA C 55.118 0.016 1 39 8 8 LEU N N 121.715 0.000 1 40 9 9 SER H H 8.405 0.001 1 41 9 9 SER HA H 4.416 0.001 1 42 9 9 SER C C 174.702 0.004 1 43 9 9 SER CA C 58.346 0.032 1 44 9 9 SER N N 116.998 0.000 1 45 10 10 LYS H H 8.477 0.002 1 46 10 10 LYS HA H 4.358 0.000 1 47 10 10 LYS C C 176.750 0.007 1 48 10 10 LYS CA C 56.489 0.000 1 49 10 10 LYS N N 123.876 0.000 1 50 11 11 ALA H H 8.356 0.000 1 51 11 11 ALA HA H 4.240 0.000 1 52 11 11 ALA C C 178.062 0.005 1 53 11 11 ALA CA C 52.830 0.000 1 54 11 11 ALA N N 125.090 0.000 1 55 12 12 LYS H H 8.395 0.001 1 56 12 12 LYS HA H 4.256 0.000 1 57 12 12 LYS C C 176.827 0.004 1 58 12 12 LYS CA C 56.469 0.000 1 59 12 12 LYS N N 120.948 0.000 1 60 13 13 GLU H H 8.456 0.001 1 61 13 13 GLU C C 176.779 0.000 1 62 13 13 GLU CA C 56.233 0.000 1 63 13 13 GLU N N 121.886 0.000 1 64 14 14 GLY H H 8.529 0.001 1 65 14 14 GLY C C 174.066 0.000 1 66 14 14 GLY CA C 45.258 0.000 1 67 14 14 GLY N N 110.319 0.000 1 68 15 15 VAL H H 8.071 0.002 1 69 15 15 VAL HA H 4.080 0.000 1 70 15 15 VAL C C 176.695 0.006 1 71 15 15 VAL CA C 62.741 0.000 1 72 15 15 VAL N N 120.386 0.000 1 73 16 16 VAL H H 8.367 0.002 1 74 16 16 VAL HA H 4.040 0.000 1 75 16 16 VAL C C 176.200 0.002 1 76 16 16 VAL CA C 62.644 0.000 1 77 16 16 VAL N N 125.516 0.000 1 78 17 17 ALA H H 8.516 0.001 1 79 17 17 ALA HA H 4.249 0.000 1 80 17 17 ALA C C 177.912 0.002 1 81 17 17 ALA CA C 52.747 0.000 1 82 17 17 ALA N N 128.437 0.000 1 83 18 18 ALA H H 8.375 0.000 1 84 18 18 ALA HA H 4.215 0.000 1 85 18 18 ALA C C 178.022 0.011 1 86 18 18 ALA CA C 52.786 0.000 1 87 18 18 ALA N N 123.622 0.000 1 88 19 19 ALA H H 8.324 0.001 1 89 19 19 ALA HA H 4.267 0.000 1 90 19 19 ALA C C 178.253 0.006 1 91 19 19 ALA CA C 52.802 0.000 1 92 19 19 ALA N N 123.098 0.000 1 93 20 20 GLU H H 8.338 0.004 1 94 20 20 GLU C C 176.580 0.000 1 95 20 20 GLU CA C 56.106 0.000 1 96 20 20 GLU N N 119.763 0.000 1 97 21 21 LYS H H 8.411 0.005 1 98 21 21 LYS HA H 4.349 0.000 1 99 21 21 LYS C C 177.144 0.000 1 100 21 21 LYS CA C 56.698 0.000 1 101 21 21 LYS N N 122.628 0.000 1 102 22 22 THR H H 8.224 0.004 1 103 22 22 THR HA H 4.289 0.000 1 104 22 22 THR C C 174.707 0.001 1 105 22 22 THR CA C 62.200 0.000 1 106 22 22 THR N N 115.702 0.000 1 107 23 23 LYS H H 8.475 0.002 1 108 23 23 LYS HA H 4.289 0.000 1 109 23 23 LYS C C 176.782 0.001 1 110 23 23 LYS CA C 56.743 0.000 1 111 23 23 LYS N N 123.955 0.000 1 112 24 24 GLN H H 8.521 0.002 1 113 24 24 GLN HA H 4.301 0.000 1 114 24 24 GLN C C 176.670 0.004 1 115 24 24 GLN CA C 56.227 0.000 1 116 24 24 GLN N N 122.005 0.000 1 117 25 25 GLY H H 8.531 0.002 1 118 25 25 GLY HA2 H 3.994 0.000 1 119 25 25 GLY HA3 H 3.994 0.000 1 120 25 25 GLY C C 174.289 0.000 1 121 25 25 GLY CA C 45.327 0.000 1 122 25 25 GLY N N 110.629 0.000 1 123 26 26 VAL H H 8.103 0.003 1 124 26 26 VAL HA H 4.082 0.000 1 125 26 26 VAL C C 176.406 0.007 1 126 26 26 VAL CA C 62.588 0.000 1 127 26 26 VAL N N 120.028 0.000 1 128 27 27 ALA H H 8.500 0.002 1 129 27 27 ALA HA H 4.290 0.000 1 130 27 27 ALA C C 178.118 0.005 1 131 27 27 ALA CA C 52.773 0.000 1 132 27 27 ALA N N 127.614 0.000 1 133 28 28 GLU H H 8.421 0.001 1 134 28 28 GLU HA H 4.269 0.000 1 135 28 28 GLU C C 176.297 0.009 1 136 28 28 GLU CA C 56.067 0.000 1 137 28 28 GLU N N 120.296 0.000 1 138 29 29 ALA H H 8.393 0.003 1 139 29 29 ALA HA H 4.262 0.000 1 140 29 29 ALA C C 177.726 0.002 1 141 29 29 ALA CA C 52.626 0.000 1 142 29 29 ALA N N 125.379 0.000 1 143 30 30 ALA H H 8.356 0.002 1 144 30 30 ALA HA H 4.286 0.000 1 145 30 30 ALA C C 178.550 0.000 1 146 30 30 ALA CA C 52.807 0.000 1 147 30 30 ALA N N 123.472 0.000 1 148 31 31 GLY H H 8.408 0.003 1 149 31 31 GLY HA2 H 3.929 0.000 1 150 31 31 GLY HA3 H 3.929 0.000 1 151 31 31 GLY C C 174.292 0.004 1 152 31 31 GLY CA C 45.289 0.000 1 153 31 31 GLY N N 107.999 0.000 1 154 32 32 LYS H H 8.228 0.000 1 155 32 32 LYS HA H 4.407 0.003 1 156 32 32 LYS C C 177.106 0.001 1 157 32 32 LYS CA C 56.271 0.010 1 158 32 32 LYS N N 120.845 0.000 1 159 33 33 THR H H 8.278 0.002 1 160 33 33 THR HA H 4.310 0.000 1 161 33 33 THR C C 174.622 0.001 1 162 33 33 THR CA C 62.041 0.000 1 163 33 33 THR N N 115.798 0.000 1 164 34 34 LYS H H 8.532 0.005 1 165 34 34 LYS C C 176.517 0.000 1 166 34 34 LYS CA C 56.478 0.000 1 167 34 34 LYS N N 124.193 0.000 1 168 35 35 GLU H H 8.483 0.001 1 169 35 35 GLU HA H 4.341 0.000 1 170 35 35 GLU C C 176.621 0.005 1 171 35 35 GLU CA C 56.029 0.000 1 172 35 35 GLU N N 121.924 0.000 1 173 36 36 GLY H H 8.522 0.000 1 174 36 36 GLY HA2 H 3.955 0.000 1 175 36 36 GLY HA3 H 3.955 0.000 1 176 36 36 GLY C C 173.971 0.002 1 177 36 36 GLY CA C 45.194 0.000 1 178 36 36 GLY N N 110.457 0.000 1 179 37 37 VAL H H 8.053 0.002 1 180 37 37 VAL HA H 4.056 0.000 1 181 37 37 VAL C C 176.052 0.002 1 182 37 37 VAL CA C 62.375 0.000 1 183 37 37 VAL N N 119.724 0.000 1 184 38 38 LEU H H 8.368 0.003 1 185 38 38 LEU HA H 4.343 0.001 1 186 38 38 LEU C C 176.692 0.001 1 187 38 38 LEU CA C 54.908 0.031 1 188 38 38 LEU N N 126.100 0.000 1 189 39 39 TYR H H 8.369 0.002 1 190 39 39 TYR HA H 4.555 0.014 1 191 39 39 TYR C C 175.614 0.001 1 192 39 39 TYR CA C 57.937 0.028 1 193 39 39 TYR N N 122.808 0.000 1 194 40 40 VAL H H 8.144 0.002 1 195 40 40 VAL HA H 4.052 0.000 1 196 40 40 VAL C C 176.142 0.004 1 197 40 40 VAL CA C 62.177 0.000 1 198 40 40 VAL N N 123.904 0.000 1 199 41 41 GLY H H 8.089 0.001 1 200 41 41 GLY HA2 H 3.929 0.000 1 201 41 41 GLY HA3 H 3.929 0.000 1 202 41 41 GLY C C 173.983 0.001 1 203 41 41 GLY CA C 45.128 0.000 1 204 41 41 GLY N N 112.299 0.000 1 205 42 42 SER H H 8.331 0.001 1 206 42 42 SER HA H 4.429 0.002 1 207 42 42 SER C C 174.915 0.028 1 208 42 42 SER CA C 58.349 0.020 1 209 42 42 SER N N 115.660 0.000 1 210 43 43 LYS H H 8.585 0.003 1 211 43 43 LYS HA H 4.402 0.003 1 212 43 43 LYS C C 176.952 0.011 1 213 43 43 LYS CA C 56.495 0.042 1 214 43 43 LYS N N 123.665 0.000 1 215 44 44 THR H H 8.219 0.002 1 216 44 44 THR HA H 4.285 0.000 1 217 44 44 THR C C 174.562 0.011 1 218 44 44 THR CA C 62.058 0.000 1 219 44 44 THR N N 115.701 0.000 1 220 45 45 LYS H H 8.493 0.003 1 221 45 45 LYS HA H 4.297 0.000 1 222 45 45 LYS C C 176.522 0.001 1 223 45 45 LYS CA C 56.452 0.000 1 224 45 45 LYS N N 124.234 0.000 1 225 46 46 GLU H H 8.490 0.000 1 226 46 46 GLU HA H 4.341 0.000 1 227 46 46 GLU C C 176.623 0.003 1 228 46 46 GLU CA C 56.033 0.000 1 229 46 46 GLU N N 122.142 0.000 1 230 47 47 GLY H H 8.522 0.000 1 231 47 47 GLY HA2 H 3.909 0.000 1 232 47 47 GLY HA3 H 3.909 0.000 1 233 47 47 GLY C C 173.805 0.001 1 234 47 47 GLY CA C 45.137 0.000 1 235 47 47 GLY N N 110.480 0.000 1 236 48 48 VAL H H 8.071 0.002 1 237 48 48 VAL HA H 4.086 0.000 1 238 48 48 VAL C C 176.183 0.014 1 239 48 48 VAL CA C 62.273 0.000 1 240 48 48 VAL N N 120.018 0.000 1 241 49 49 VAL H H 8.394 0.002 1 242 49 49 VAL HA H 4.054 0.000 1 243 49 49 VAL C C 175.992 0.004 1 244 49 49 VAL CA C 62.247 0.000 1 245 49 49 VAL N N 125.379 0.000 1 246 50 50 HIS H H 8.808 0.001 1 247 50 50 HIS HA H 4.736 0.004 1 248 50 50 HIS C C 174.721 0.007 1 249 50 50 HIS CA C 55.100 0.034 1 250 50 50 HIS N N 123.585 0.000 1 251 51 51 GLY H H 8.563 0.002 1 252 51 51 GLY HA2 H 4.004 0.000 1 253 51 51 GLY HA3 H 4.004 0.000 1 254 51 51 GLY C C 173.745 0.007 1 255 51 51 GLY CA C 45.055 0.000 1 256 51 51 GLY N N 110.829 0.000 1 257 52 52 VAL H H 8.205 0.001 1 258 52 52 VAL HA H 4.147 0.000 1 259 52 52 VAL C C 176.031 0.010 1 260 52 52 VAL CA C 61.986 0.042 1 261 52 52 VAL N N 119.805 0.000 1 262 53 53 ALA H H 8.593 0.002 1 263 53 53 ALA HA H 4.408 0.002 1 264 53 53 ALA C C 177.904 0.005 1 265 53 53 ALA CA C 52.405 0.018 1 266 53 53 ALA N N 128.596 0.000 1 267 54 54 THR H H 8.293 0.003 1 268 54 54 THR HA H 4.310 0.000 1 269 54 54 THR C C 174.629 0.006 1 270 54 54 THR CA C 61.855 0.000 1 271 54 54 THR N N 115.136 0.000 1 272 55 55 VAL H H 8.342 0.000 1 273 55 55 VAL C C 175.992 0.000 1 274 55 55 VAL CA C 62.515 0.000 1 275 55 55 VAL N N 123.400 0.000 1 276 56 56 ALA H H 8.516 0.001 1 277 56 56 ALA HA H 4.284 0.000 1 278 56 56 ALA C C 177.900 0.003 1 279 56 56 ALA CA C 52.624 0.000 1 280 56 56 ALA N N 128.118 0.000 1 281 57 57 GLU H H 8.403 0.003 1 282 57 57 GLU C C 176.497 0.000 1 283 57 57 GLU CA C 56.026 0.000 1 284 57 57 GLU N N 120.533 0.000 1 285 58 58 LYS H H 8.520 0.004 1 286 58 58 LYS HA H 4.341 0.000 1 287 58 58 LYS C C 177.057 0.007 1 288 58 58 LYS CA C 56.642 0.000 1 289 58 58 LYS N N 123.008 0.000 1 290 59 59 THR H H 8.257 0.000 1 291 59 59 THR HA H 4.284 0.000 1 292 59 59 THR C C 174.606 0.001 1 293 59 59 THR CA C 62.231 0.000 1 294 59 59 THR N N 116.050 0.000 1 295 60 60 LYS H H 8.449 0.001 1 296 60 60 LYS HA H 4.291 0.000 1 297 60 60 LYS C C 176.668 0.001 1 298 60 60 LYS CA C 56.627 0.000 1 299 60 60 LYS N N 123.901 0.000 1 300 61 61 GLU H H 8.436 0.005 1 301 61 61 GLU C C 176.051 0.000 1 302 61 61 GLU CA C 55.921 0.000 1 303 61 61 GLU N N 121.897 0.000 1 304 62 62 GLN H H 8.509 0.005 1 305 62 62 GLN HA H 4.346 0.000 1 306 62 62 GLN C C 175.930 0.005 1 307 62 62 GLN CA C 55.788 0.000 1 308 62 62 GLN N N 122.286 0.000 1 309 63 63 VAL H H 8.388 0.000 1 310 63 63 VAL HA H 4.197 0.002 1 311 63 63 VAL C C 176.373 0.003 1 312 63 63 VAL CA C 62.337 0.047 1 313 63 63 VAL N N 122.238 0.000 1 314 64 64 THR H H 8.384 0.004 1 315 64 64 THR HA H 4.372 0.000 1 316 64 64 THR C C 174.053 0.003 1 317 64 64 THR CA C 61.758 0.000 1 318 64 64 THR N N 118.419 0.000 1 319 65 65 ASN H H 8.609 0.002 1 320 65 65 ASN HA H 4.798 0.014 1 321 65 65 ASN C C 175.298 0.006 1 322 65 65 ASN CA C 53.093 0.029 1 323 65 65 ASN N N 121.993 0.000 1 324 66 66 VAL H H 8.334 0.002 1 325 66 66 VAL HA H 4.117 0.005 1 326 66 66 VAL C C 176.912 0.004 1 327 66 66 VAL CA C 62.654 0.034 1 328 66 66 VAL N N 120.975 0.000 1 329 67 67 GLY H H 8.635 0.002 1 330 67 67 GLY HA2 H 3.970 0.000 1 331 67 67 GLY HA3 H 3.970 0.000 1 332 67 67 GLY C C 174.688 0.000 1 333 67 67 GLY CA C 45.318 0.000 1 334 67 67 GLY N N 112.840 0.000 1 335 68 68 GLY H H 8.308 0.003 1 336 68 68 GLY HA2 H 3.941 0.000 1 337 68 68 GLY HA3 H 3.941 0.000 1 338 68 68 GLY C C 173.752 0.006 1 339 68 68 GLY CA C 45.011 0.000 1 340 68 68 GLY N N 108.921 0.000 1 341 69 69 ALA H H 8.245 0.001 1 342 69 69 ALA HA H 4.348 0.003 1 343 69 69 ALA C C 177.722 0.002 1 344 69 69 ALA CA C 52.275 0.001 1 345 69 69 ALA N N 123.880 0.000 1 346 70 70 VAL H H 8.313 0.003 1 347 70 70 VAL HA H 4.072 0.000 1 348 70 70 VAL C C 176.409 0.006 1 349 70 70 VAL CA C 62.427 0.000 1 350 70 70 VAL N N 120.799 0.000 1 351 71 71 VAL H H 8.495 0.000 1 352 71 71 VAL HA H 4.210 0.006 1 353 71 71 VAL C C 176.350 0.001 1 354 71 71 VAL CA C 62.120 0.026 1 355 71 71 VAL N N 125.801 0.000 1 356 72 72 THR H H 8.406 0.001 1 357 72 72 THR HA H 4.361 0.000 1 358 72 72 THR C C 174.938 0.003 1 359 72 72 THR CA C 61.912 0.000 1 360 72 72 THR N N 119.007 0.000 1 361 73 73 GLY H H 8.515 0.001 1 362 73 73 GLY HA2 H 3.990 0.000 1 363 73 73 GLY HA3 H 3.990 0.000 1 364 73 73 GLY C C 174.037 0.001 1 365 73 73 GLY CA C 45.211 0.000 1 366 73 73 GLY N N 111.498 0.000 1 367 74 74 VAL H H 8.170 0.003 1 368 74 74 VAL HA H 4.186 0.000 1 369 74 74 VAL C C 176.634 0.000 1 370 74 74 VAL CA C 62.322 0.022 1 371 74 74 VAL N N 119.716 0.000 1 372 75 75 THR H H 8.390 0.004 1 373 75 75 THR HA H 4.300 0.000 1 374 75 75 THR C C 174.111 0.009 1 375 75 75 THR CA C 61.978 0.000 1 376 75 75 THR N N 119.354 0.000 1 377 76 76 ALA H H 8.464 0.001 1 378 76 76 ALA HA H 4.335 0.002 1 379 76 76 ALA C C 177.654 0.001 1 380 76 76 ALA CA C 52.475 0.001 1 381 76 76 ALA N N 127.656 0.000 1 382 77 77 VAL H H 8.241 0.001 1 383 77 77 VAL HA H 4.042 0.000 1 384 77 77 VAL C C 176.103 0.001 1 385 77 77 VAL CA C 62.273 0.000 1 386 77 77 VAL N N 120.403 0.000 1 387 78 78 ALA H H 8.502 0.004 1 388 78 78 ALA HA H 4.287 0.000 1 389 78 78 ALA C C 177.734 0.008 1 390 78 78 ALA CA C 52.511 0.000 1 391 78 78 ALA N N 128.417 0.000 1 392 79 79 GLN H H 8.485 0.004 1 393 79 79 GLN HA H 4.283 0.000 1 394 79 79 GLN C C 176.058 0.006 1 395 79 79 GLN CA C 55.702 0.000 1 396 79 79 GLN N N 120.506 0.000 1 397 80 80 LYS H H 8.513 0.004 1 398 80 80 LYS HA H 4.358 0.000 1 399 80 80 LYS C C 176.750 0.007 1 400 80 80 LYS CA C 56.425 0.000 1 401 80 80 LYS N N 123.416 0.000 1 402 81 81 THR H H 8.346 0.003 1 403 81 81 THR HA H 4.326 0.000 1 404 81 81 THR C C 174.450 0.004 1 405 81 81 THR CA C 61.987 0.000 1 406 81 81 THR N N 117.044 0.000 1 407 82 82 VAL H H 8.398 0.000 1 408 82 82 VAL HA H 4.109 0.000 1 409 82 82 VAL C C 176.149 0.005 1 410 82 82 VAL CA C 62.324 0.000 1 411 82 82 VAL N N 123.560 0.000 1 412 83 83 GLU H H 8.604 0.001 1 413 83 83 GLU HA H 4.361 0.000 1 414 83 83 GLU C C 176.636 0.001 1 415 83 83 GLU CA C 56.005 0.000 1 416 83 83 GLU N N 125.019 0.000 1 417 84 84 GLY H H 8.592 0.002 1 418 84 84 GLY HA2 H 3.956 0.000 1 419 84 84 GLY HA3 H 3.956 0.000 1 420 84 84 GLY C C 174.071 0.001 1 421 84 84 GLY CA C 45.180 0.000 1 422 84 84 GLY N N 110.925 0.000 1 423 85 85 ALA H H 8.376 0.001 1 424 85 85 ALA HA H 4.304 0.000 1 425 85 85 ALA C C 178.587 0.006 1 426 85 85 ALA CA C 52.921 0.000 1 427 85 85 ALA N N 124.105 0.000 1 428 86 86 GLY H H 8.585 0.004 1 429 86 86 GLY HA2 H 3.965 0.000 1 430 86 86 GLY HA3 H 3.965 0.000 1 431 86 86 GLY C C 174.338 0.006 1 432 86 86 GLY CA C 45.227 0.000 1 433 86 86 GLY N N 108.385 0.000 1 434 87 87 SER H H 8.217 0.002 1 435 87 87 SER HA H 4.456 0.003 1 436 87 87 SER C C 174.736 0.006 1 437 87 87 SER CA C 58.386 0.043 1 438 87 87 SER N N 115.792 0.000 1 439 88 88 ILE H H 8.269 0.000 1 440 88 88 ILE HA H 4.159 0.003 1 441 88 88 ILE C C 176.340 0.002 1 442 88 88 ILE CA C 61.275 0.052 1 443 88 88 ILE N N 122.941 0.000 1 444 89 89 ALA H H 8.427 0.004 1 445 89 89 ALA HA H 4.250 0.000 1 446 89 89 ALA C C 177.628 0.004 1 447 89 89 ALA CA C 52.612 0.000 1 448 89 89 ALA N N 128.289 0.000 1 449 90 90 ALA H H 8.293 0.001 1 450 90 90 ALA HA H 4.242 0.000 1 451 90 90 ALA C C 177.788 0.002 1 452 90 90 ALA CA C 52.438 0.000 1 453 90 90 ALA N N 123.516 0.000 1 454 91 91 ALA H H 8.369 0.000 1 455 91 91 ALA HA H 4.350 0.002 1 456 91 91 ALA C C 178.206 0.000 1 457 91 91 ALA CA C 52.632 0.016 1 458 91 91 ALA N N 123.609 0.000 1 459 92 92 THR H H 8.173 0.002 1 460 92 92 THR HA H 4.289 0.000 1 461 92 92 THR C C 175.212 0.005 1 462 92 92 THR CA C 62.035 0.000 1 463 92 92 THR N N 112.906 0.000 1 464 93 93 GLY H H 8.377 0.000 1 465 93 93 GLY HA2 H 3.908 0.000 1 466 93 93 GLY HA3 H 3.908 0.000 1 467 93 93 GLY C C 173.700 0.002 1 468 93 93 GLY CA C 45.161 0.000 1 469 93 93 GLY N N 110.755 0.000 1 470 94 94 PHE H H 8.163 0.002 1 471 94 94 PHE HA H 4.599 0.005 1 472 94 94 PHE C C 175.612 0.002 1 473 94 94 PHE CA C 57.858 0.003 1 474 94 94 PHE N N 120.413 0.000 1 475 95 95 VAL H H 8.127 0.001 1 476 95 95 VAL HA H 3.995 0.000 1 477 95 95 VAL C C 175.559 0.002 1 478 95 95 VAL CA C 62.099 0.000 1 479 95 95 VAL N N 123.850 0.000 1 480 96 96 LYS H H 8.458 0.004 1 481 96 96 LYS HA H 4.204 0.005 1 482 96 96 LYS C C 176.558 0.001 1 483 96 96 LYS CA C 56.431 0.026 1 484 96 96 LYS N N 126.412 0.000 1 485 97 97 LYS H H 8.506 0.001 1 486 97 97 LYS HA H 4.280 0.000 1 487 97 97 LYS C C 176.482 0.003 1 488 97 97 LYS CA C 56.509 0.000 1 489 97 97 LYS N N 123.450 0.000 1 490 98 98 ASP H H 8.552 0.004 1 491 98 98 ASP HA H 4.627 0.009 1 492 98 98 ASP C C 175.659 0.001 1 493 98 98 ASP CA C 53.550 0.051 1 494 98 98 ASP N N 120.578 0.000 1 495 99 99 GLN H H 8.452 0.000 1 496 99 99 GLN HA H 4.296 0.000 1 497 99 99 GLN C C 176.023 0.007 1 498 99 99 GLN CA C 55.910 0.000 1 499 99 99 GLN N N 120.766 0.000 1 500 100 100 LEU H H 8.326 0.003 1 501 100 100 LEU HA H 4.327 0.006 1 502 100 100 LEU C C 177.993 0.000 1 503 100 100 LEU CA C 55.326 0.039 1 504 100 100 LEU N N 123.024 0.000 1 505 101 101 GLY H H 8.478 0.001 1 506 101 101 GLY HA2 H 3.939 0.000 1 507 101 101 GLY HA3 H 3.939 0.000 1 508 101 101 GLY C C 174.215 0.013 1 509 101 101 GLY CA C 45.259 0.000 1 510 101 101 GLY N N 109.699 0.000 1 511 102 102 LYS H H 8.270 0.001 1 512 102 102 LYS HA H 4.301 0.000 1 513 102 102 LYS C C 176.588 0.001 1 514 102 102 LYS CA C 56.372 0.000 1 515 102 102 LYS N N 120.827 0.000 1 516 103 103 ASN H H 8.651 0.003 1 517 103 103 ASN HA H 4.686 0.003 1 518 103 103 ASN C C 175.378 0.005 1 519 103 103 ASN CA C 53.361 0.019 1 520 103 103 ASN N N 119.540 0.000 1 521 104 104 GLU H H 8.428 0.004 1 522 104 104 GLU HA H 4.358 0.000 1 523 104 104 GLU C C 176.163 0.003 1 524 104 104 GLU CA C 55.986 0.000 1 525 104 104 GLU N N 120.736 0.000 1 526 105 105 GLU H H 8.447 0.003 1 527 105 105 GLU C C 176.575 0.000 1 528 105 105 GLU CA C 56.186 0.000 1 529 105 105 GLU N N 121.091 0.000 1 530 106 106 GLY H H 8.488 0.002 1 531 106 106 GLY HA2 H 3.927 0.000 1 532 106 106 GLY HA3 H 3.927 0.000 1 533 106 106 GLY C C 173.389 0.005 1 534 106 106 GLY CA C 44.995 0.000 1 535 106 106 GLY N N 110.190 0.000 1 536 107 107 ALA H H 8.186 0.002 1 537 107 107 ALA N N 124.907 0.000 1 538 108 108 PRO HA H 4.418 0.002 1 539 108 108 PRO C C 177.088 0.006 1 540 108 108 PRO CA C 63.188 0.036 1 541 109 109 GLN H H 8.612 0.002 1 542 109 109 GLN HA H 4.283 0.000 1 543 109 109 GLN C C 176.059 0.006 1 544 109 109 GLN CA C 55.752 0.000 1 545 109 109 GLN N N 120.844 0.000 1 546 110 110 GLU H H 8.517 0.002 1 547 110 110 GLU HA H 4.365 0.000 1 548 110 110 GLU C C 176.538 0.001 1 549 110 110 GLU CA C 55.967 0.000 1 550 110 110 GLU N N 121.753 0.000 1 551 111 111 GLY H H 8.525 0.002 1 552 111 111 GLY HA2 H 3.940 0.000 1 553 111 111 GLY HA3 H 3.940 0.000 1 554 111 111 GLY C C 174.036 0.001 1 555 111 111 GLY CA C 45.323 0.000 1 556 111 111 GLY N N 110.234 0.000 1 557 112 112 ILE H H 8.037 0.003 1 558 112 112 ILE HA H 4.159 0.003 1 559 112 112 ILE C C 176.498 0.001 1 560 112 112 ILE CA C 61.239 0.014 1 561 112 112 ILE N N 119.979 0.000 1 562 113 113 LEU H H 8.399 0.002 1 563 113 113 LEU HA H 4.353 0.005 1 564 113 113 LEU C C 177.322 0.001 1 565 113 113 LEU CA C 55.279 0.012 1 566 113 113 LEU N N 125.923 0.000 1 567 114 114 GLU H H 8.360 0.002 1 568 114 114 GLU HA H 4.316 0.000 1 569 114 114 GLU C C 175.601 0.003 1 570 114 114 GLU CA C 55.844 0.000 1 571 114 114 GLU N N 120.807 0.000 1 572 115 115 ASP H H 8.457 0.002 1 573 115 115 ASP HA H 4.668 0.002 1 574 115 115 ASP C C 174.860 0.006 1 575 115 115 ASP CA C 53.037 0.027 1 576 115 115 ASP N N 119.739 0.000 1 577 116 116 MET H H 8.264 0.000 1 578 116 116 MET N N 121.823 0.000 1 579 117 117 PRO HA H 4.447 0.005 1 580 117 117 PRO C C 176.726 0.003 1 581 117 117 PRO CA C 62.924 0.033 1 582 118 118 VAL H H 8.345 0.004 1 583 118 118 VAL HA H 4.023 0.000 1 584 118 118 VAL C C 175.762 0.007 1 585 118 118 VAL CA C 62.233 0.000 1 586 118 118 VAL N N 120.752 0.000 1 587 119 119 ASP H H 8.656 0.002 1 588 119 119 ASP N N 124.267 0.000 1 589 120 120 PRO HA H 4.357 0.000 1 590 120 120 PRO C C 176.911 0.009 1 591 120 120 PRO CA C 63.613 0.058 1 592 121 121 ASP H H 8.404 0.004 1 593 121 121 ASP HA H 4.671 0.026 1 594 121 121 ASP C C 175.280 0.000 1 595 121 121 ASP CA C 53.474 0.006 1 596 121 121 ASP N N 117.822 0.000 1 597 122 122 ASN H H 8.217 0.001 1 598 122 122 ASN HA H 4.700 0.014 1 599 122 122 ASN C C 175.433 0.015 1 600 122 122 ASN CA C 53.393 0.052 1 601 122 122 ASN N N 118.858 0.000 1 602 123 123 GLU H H 8.284 0.004 1 603 123 123 GLU HA H 4.271 0.000 1 604 123 123 GLU C C 175.993 0.012 1 605 123 123 GLU CA C 56.221 0.000 1 606 123 123 GLU N N 120.520 0.000 1 607 124 124 ALA H H 8.295 0.001 1 608 124 124 ALA HA H 4.224 0.000 1 609 124 124 ALA C C 177.501 0.002 1 610 124 124 ALA CA C 52.834 0.000 1 611 124 124 ALA N N 123.995 0.000 1 612 125 125 TYR H H 8.016 0.004 1 613 125 125 TYR HA H 4.506 0.002 1 614 125 125 TYR C C 175.496 0.002 1 615 125 125 TYR CA C 57.852 0.037 1 616 125 125 TYR N N 118.618 0.000 1 617 126 126 GLU H H 8.025 0.004 1 618 126 126 GLU HA H 4.315 0.002 1 619 126 126 GLU C C 175.206 0.003 1 620 126 126 GLU CA C 55.115 0.018 1 621 126 126 GLU N N 122.198 0.000 1 622 127 127 MET H H 8.331 0.002 1 623 127 127 MET N N 122.859 0.000 1 624 128 128 PRO HA H 4.357 0.000 1 625 128 128 PRO C C 177.120 0.001 1 626 128 128 PRO CA C 63.587 0.032 1 627 129 129 SER H H 8.415 0.005 1 628 129 129 SER HA H 4.369 0.007 1 629 129 129 SER C C 174.952 0.018 1 630 129 129 SER CA C 58.567 0.028 1 631 129 129 SER N N 115.416 0.000 1 632 130 130 GLU H H 8.429 0.001 1 633 130 130 GLU HA H 4.376 0.000 1 634 130 130 GLU C C 176.163 0.000 1 635 130 130 GLU CA C 55.939 0.000 1 636 130 130 GLU N N 121.986 0.000 1 637 131 131 GLU H H 8.351 0.001 1 638 131 131 GLU HA H 4.287 0.000 1 639 131 131 GLU C C 176.566 0.001 1 640 131 131 GLU CA C 56.258 0.000 1 641 131 131 GLU N N 120.752 0.000 1 642 132 132 GLY H H 8.431 0.003 1 643 132 132 GLY HA2 H 3.878 0.000 1 644 132 132 GLY HA3 H 3.878 0.000 1 645 132 132 GLY C C 174.013 0.001 1 646 132 132 GLY CA C 45.217 0.000 1 647 132 132 GLY N N 109.860 0.000 1 648 133 133 TYR H H 8.085 0.000 1 649 133 133 TYR HA H 4.504 0.002 1 650 133 133 TYR C C 175.891 0.014 1 651 133 133 TYR CA C 58.176 0.007 1 652 133 133 TYR N N 120.245 0.000 1 653 134 134 GLN H H 8.333 0.004 1 654 134 134 GLN HA H 4.200 0.004 1 655 134 134 GLN C C 175.084 0.019 1 656 134 134 GLN CA C 55.629 0.028 1 657 134 134 GLN N N 122.186 0.000 1 658 135 135 ASP H H 8.354 0.003 1 659 135 135 ASP HA H 4.616 0.004 1 660 135 135 ASP C C 174.716 0.003 1 661 135 135 ASP CA C 53.028 0.046 1 662 135 135 ASP N N 120.032 0.000 1 663 136 136 TYR H H 8.157 0.001 1 664 136 136 TYR HA H 4.534 0.009 1 665 136 136 TYR C C 175.156 0.000 1 666 136 136 TYR CA C 57.883 0.020 1 667 136 136 TYR N N 121.071 0.000 1 668 137 137 GLU H H 8.137 0.002 1 669 137 137 GLU N N 124.110 0.000 1 670 138 138 PRO HA H 4.335 0.001 1 671 138 138 PRO C C 176.791 0.000 1 672 138 138 PRO CA C 62.918 0.028 1 673 139 139 GLU H H 8.493 0.001 1 674 139 139 GLU HA H 4.305 0.000 1 675 139 139 GLU C C 175.471 0.011 1 676 139 139 GLU CA C 55.602 0.000 1 677 139 139 GLU N N 120.808 0.000 1 678 140 140 ALA H H 8.364 0.004 1 679 140 140 ALA N N 128.587 0.000 1 stop_ save_ save_assigned_chem_shif_list_8 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_3.58 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.130 0.004 1 2 1 1 MET C C 171.870 0.004 1 3 1 1 MET CA C 54.948 0.017 1 4 2 2 ASP H H 8.908 0.001 1 5 2 2 ASP HA H 4.745 0.000 1 6 2 2 ASP C C 175.375 0.000 1 7 2 2 ASP CA C 53.628 0.014 1 8 2 2 ASP N N 124.175 0.000 1 9 3 3 VAL H H 8.361 0.001 1 10 3 3 VAL HA H 4.031 0.000 1 11 3 3 VAL C C 175.860 0.005 1 12 3 3 VAL CA C 62.525 0.000 1 13 3 3 VAL N N 121.022 0.000 1 14 4 4 PHE H H 8.418 0.003 1 15 4 4 PHE HA H 4.604 0.003 1 16 4 4 PHE C C 175.774 0.019 1 17 4 4 PHE CA C 57.880 0.034 1 18 4 4 PHE N N 123.993 0.000 1 19 5 5 MET H H 8.286 0.001 1 20 5 5 MET HA H 4.397 0.003 1 21 5 5 MET C C 175.894 0.000 1 22 5 5 MET CA C 55.209 0.058 1 23 5 5 MET N N 122.723 0.000 1 24 6 6 LYS H H 8.358 0.003 1 25 6 6 LYS HA H 4.198 0.004 1 26 6 6 LYS C C 177.161 0.012 1 27 6 6 LYS CA C 56.900 0.018 1 28 6 6 LYS N N 123.001 0.000 1 29 7 7 GLY H H 8.492 0.000 1 30 7 7 GLY HA2 H 3.939 0.000 1 31 7 7 GLY HA3 H 3.939 0.000 1 32 7 7 GLY C C 174.197 0.004 1 33 7 7 GLY CA C 45.288 0.000 1 34 7 7 GLY N N 110.147 0.000 1 35 8 8 LEU H H 8.141 0.003 1 36 8 8 LEU HA H 4.380 0.003 1 37 8 8 LEU C C 177.704 0.005 1 38 8 8 LEU CA C 55.125 0.023 1 39 8 8 LEU N N 121.708 0.000 1 40 9 9 SER H H 8.402 0.001 1 41 9 9 SER HA H 4.413 0.001 1 42 9 9 SER C C 174.698 0.002 1 43 9 9 SER CA C 58.355 0.038 1 44 9 9 SER N N 116.986 0.000 1 45 10 10 LYS H H 8.476 0.001 1 46 10 10 LYS HA H 4.365 0.000 1 47 10 10 LYS C C 176.738 0.006 1 48 10 10 LYS CA C 56.489 0.000 1 49 10 10 LYS N N 123.860 0.000 1 50 11 11 ALA H H 8.356 0.000 1 51 11 11 ALA HA H 4.240 0.000 1 52 11 11 ALA C C 178.060 0.004 1 53 11 11 ALA CA C 52.830 0.000 1 54 11 11 ALA N N 125.142 0.000 1 55 12 12 LYS H H 8.395 0.001 1 56 12 12 LYS HA H 4.256 0.000 1 57 12 12 LYS C C 176.821 0.003 1 58 12 12 LYS CA C 56.465 0.000 1 59 12 12 LYS N N 120.948 0.000 1 60 13 13 GLU H H 8.462 0.001 1 61 13 13 GLU C C 176.779 0.000 1 62 13 13 GLU CA C 56.266 0.000 1 63 13 13 GLU N N 121.905 0.000 1 64 14 14 GLY H H 8.529 0.001 1 65 14 14 GLY C C 174.072 0.000 1 66 14 14 GLY CA C 45.258 0.000 1 67 14 14 GLY N N 110.319 0.000 1 68 15 15 VAL H H 8.069 0.001 1 69 15 15 VAL HA H 4.077 0.000 1 70 15 15 VAL C C 176.675 0.002 1 71 15 15 VAL CA C 62.754 0.000 1 72 15 15 VAL N N 120.388 0.000 1 73 16 16 VAL H H 8.369 0.001 1 74 16 16 VAL C C 176.202 0.000 1 75 16 16 VAL CA C 62.644 0.000 1 76 16 16 VAL N N 125.487 0.000 1 77 17 17 ALA H H 8.516 0.001 1 78 17 17 ALA HA H 4.259 0.000 1 79 17 17 ALA C C 177.909 0.003 1 80 17 17 ALA CA C 52.747 0.000 1 81 17 17 ALA N N 128.414 0.000 1 82 18 18 ALA H H 8.375 0.002 1 83 18 18 ALA HA H 4.225 0.000 1 84 18 18 ALA C C 178.031 0.006 1 85 18 18 ALA CA C 52.786 0.000 1 86 18 18 ALA N N 123.623 0.000 1 87 19 19 ALA H H 8.326 0.001 1 88 19 19 ALA HA H 4.269 0.000 1 89 19 19 ALA C C 178.269 0.003 1 90 19 19 ALA CA C 52.802 0.000 1 91 19 19 ALA N N 123.105 0.000 1 92 20 20 GLU H H 8.339 0.004 1 93 20 20 GLU C C 176.629 0.000 1 94 20 20 GLU CA C 56.163 0.000 1 95 20 20 GLU N N 119.811 0.000 1 96 21 21 LYS H H 8.407 0.001 1 97 21 21 LYS HA H 4.338 0.000 1 98 21 21 LYS C C 177.156 0.006 1 99 21 21 LYS CA C 56.718 0.000 1 100 21 21 LYS N N 122.597 0.000 1 101 22 22 THR H H 8.222 0.004 1 102 22 22 THR HA H 4.283 0.000 1 103 22 22 THR C C 174.711 0.002 1 104 22 22 THR CA C 62.210 0.000 1 105 22 22 THR N N 115.656 0.000 1 106 23 23 LYS H H 8.466 0.003 1 107 23 23 LYS HA H 4.289 0.000 1 108 23 23 LYS C C 176.786 0.004 1 109 23 23 LYS CA C 56.756 0.000 1 110 23 23 LYS N N 123.963 0.000 1 111 24 24 GLN H H 8.513 0.003 1 112 24 24 GLN HA H 4.301 0.000 1 113 24 24 GLN C C 176.666 0.002 1 114 24 24 GLN CA C 56.229 0.000 1 115 24 24 GLN N N 121.980 0.000 1 116 25 25 GLY H H 8.529 0.000 1 117 25 25 GLY HA2 H 3.990 0.000 1 118 25 25 GLY HA3 H 3.990 0.000 1 119 25 25 GLY C C 174.294 0.003 1 120 25 25 GLY CA C 45.327 0.000 1 121 25 25 GLY N N 110.622 0.000 1 122 26 26 VAL H H 8.100 0.003 1 123 26 26 VAL HA H 4.088 0.000 1 124 26 26 VAL C C 176.401 0.004 1 125 26 26 VAL CA C 62.588 0.000 1 126 26 26 VAL N N 120.028 0.000 1 127 27 27 ALA H H 8.499 0.001 1 128 27 27 ALA HA H 4.283 0.000 1 129 27 27 ALA C C 178.123 0.006 1 130 27 27 ALA CA C 52.775 0.000 1 131 27 27 ALA N N 127.588 0.000 1 132 28 28 GLU H H 8.423 0.001 1 133 28 28 GLU HA H 4.269 0.000 1 134 28 28 GLU C C 176.345 0.003 1 135 28 28 GLU CA C 56.136 0.000 1 136 28 28 GLU N N 120.331 0.000 1 137 29 29 ALA H H 8.391 0.001 1 138 29 29 ALA HA H 4.264 0.000 1 139 29 29 ALA C C 177.742 0.003 1 140 29 29 ALA CA C 52.632 0.000 1 141 29 29 ALA N N 125.343 0.000 1 142 30 30 ALA H H 8.351 0.002 1 143 30 30 ALA HA H 4.286 0.000 1 144 30 30 ALA C C 178.551 0.002 1 145 30 30 ALA CA C 52.807 0.000 1 146 30 30 ALA N N 123.406 0.000 1 147 31 31 GLY H H 8.408 0.000 1 148 31 31 GLY HA2 H 3.917 0.000 1 149 31 31 GLY HA3 H 3.917 0.000 1 150 31 31 GLY C C 174.290 0.000 1 151 31 31 GLY CA C 45.289 0.000 1 152 31 31 GLY N N 107.972 0.000 1 153 32 32 LYS H H 8.222 0.001 1 154 32 32 LYS HA H 4.406 0.003 1 155 32 32 LYS C C 177.108 0.004 1 156 32 32 LYS CA C 56.271 0.010 1 157 32 32 LYS N N 120.827 0.000 1 158 33 33 THR H H 8.277 0.001 1 159 33 33 THR HA H 4.317 0.000 1 160 33 33 THR C C 174.629 0.004 1 161 33 33 THR CA C 62.050 0.000 1 162 33 33 THR N N 115.798 0.000 1 163 34 34 LYS H H 8.533 0.001 1 164 34 34 LYS C C 176.519 0.000 1 165 34 34 LYS CA C 56.478 0.000 1 166 34 34 LYS N N 124.147 0.000 1 167 35 35 GLU H H 8.480 0.002 1 168 35 35 GLU HA H 4.342 0.000 1 169 35 35 GLU C C 176.667 0.002 1 170 35 35 GLU CA C 56.029 0.000 1 171 35 35 GLU N N 121.907 0.000 1 172 36 36 GLY H H 8.519 0.002 1 173 36 36 GLY HA2 H 3.955 0.000 1 174 36 36 GLY HA3 H 3.955 0.000 1 175 36 36 GLY C C 173.976 0.002 1 176 36 36 GLY CA C 45.192 0.000 1 177 36 36 GLY N N 110.417 0.000 1 178 37 37 VAL H H 8.046 0.000 1 179 37 37 VAL HA H 4.057 0.000 1 180 37 37 VAL C C 176.041 0.002 1 181 37 37 VAL CA C 62.375 0.000 1 182 37 37 VAL N N 119.739 0.000 1 183 38 38 LEU H H 8.367 0.001 1 184 38 38 LEU HA H 4.346 0.002 1 185 38 38 LEU C C 176.681 0.002 1 186 38 38 LEU CA C 54.916 0.034 1 187 38 38 LEU N N 126.097 0.000 1 188 39 39 TYR H H 8.361 0.001 1 189 39 39 TYR HA H 4.555 0.014 1 190 39 39 TYR C C 175.612 0.003 1 191 39 39 TYR CA C 57.937 0.028 1 192 39 39 TYR N N 122.792 0.000 1 193 40 40 VAL H H 8.141 0.001 1 194 40 40 VAL HA H 4.052 0.000 1 195 40 40 VAL C C 176.145 0.001 1 196 40 40 VAL CA C 62.152 0.000 1 197 40 40 VAL N N 123.880 0.000 1 198 41 41 GLY H H 8.091 0.003 1 199 41 41 GLY HA2 H 3.929 0.000 1 200 41 41 GLY HA3 H 3.929 0.000 1 201 41 41 GLY C C 173.985 0.001 1 202 41 41 GLY CA C 45.134 0.000 1 203 41 41 GLY N N 112.283 0.000 1 204 42 42 SER H H 8.330 0.001 1 205 42 42 SER HA H 4.431 0.000 1 206 42 42 SER C C 174.931 0.000 1 207 42 42 SER CA C 58.353 0.024 1 208 42 42 SER N N 115.663 0.000 1 209 43 43 LYS H H 8.581 0.000 1 210 43 43 LYS HA H 4.403 0.002 1 211 43 43 LYS C C 176.961 0.003 1 212 43 43 LYS CA C 56.480 0.028 1 213 43 43 LYS N N 123.632 0.000 1 214 44 44 THR H H 8.220 0.002 1 215 44 44 THR HA H 4.301 0.000 1 216 44 44 THR C C 174.560 0.001 1 217 44 44 THR CA C 62.058 0.000 1 218 44 44 THR N N 115.665 0.000 1 219 45 45 LYS H H 8.492 0.001 1 220 45 45 LYS HA H 4.297 0.000 1 221 45 45 LYS C C 176.524 0.003 1 222 45 45 LYS CA C 56.452 0.000 1 223 45 45 LYS N N 124.231 0.000 1 224 46 46 GLU H H 8.491 0.001 1 225 46 46 GLU HA H 4.341 0.000 1 226 46 46 GLU C C 176.663 0.000 1 227 46 46 GLU CA C 56.066 0.000 1 228 46 46 GLU N N 122.169 0.000 1 229 47 47 GLY H H 8.519 0.002 1 230 47 47 GLY HA2 H 3.918 0.000 1 231 47 47 GLY HA3 H 3.918 0.000 1 232 47 47 GLY C C 173.815 0.005 1 233 47 47 GLY CA C 45.153 0.000 1 234 47 47 GLY N N 110.420 0.000 1 235 48 48 VAL H H 8.061 0.001 1 236 48 48 VAL HA H 4.086 0.000 1 237 48 48 VAL C C 176.190 0.004 1 238 48 48 VAL CA C 62.273 0.000 1 239 48 48 VAL N N 120.017 0.000 1 240 49 49 VAL H H 8.389 0.001 1 241 49 49 VAL HA H 4.064 0.000 1 242 49 49 VAL C C 175.991 0.002 1 243 49 49 VAL CA C 62.254 0.000 1 244 49 49 VAL N N 125.343 0.000 1 245 50 50 HIS H H 8.809 0.002 1 246 50 50 HIS HA H 4.742 0.002 1 247 50 50 HIS C C 174.718 0.006 1 248 50 50 HIS CA C 55.105 0.038 1 249 50 50 HIS N N 123.571 0.000 1 250 51 51 GLY H H 8.563 0.002 1 251 51 51 GLY HA2 H 4.002 0.000 1 252 51 51 GLY HA3 H 4.002 0.000 1 253 51 51 GLY C C 173.740 0.001 1 254 51 51 GLY CA C 45.055 0.000 1 255 51 51 GLY N N 110.811 0.000 1 256 52 52 VAL H H 8.205 0.000 1 257 52 52 VAL HA H 4.152 0.000 1 258 52 52 VAL C C 176.016 0.003 1 259 52 52 VAL CA C 61.977 0.050 1 260 52 52 VAL N N 119.827 0.000 1 261 53 53 ALA H H 8.593 0.001 1 262 53 53 ALA HA H 4.406 0.004 1 263 53 53 ALA C C 177.902 0.007 1 264 53 53 ALA CA C 52.410 0.013 1 265 53 53 ALA N N 128.596 0.000 1 266 54 54 THR H H 8.293 0.003 1 267 54 54 THR HA H 4.317 0.000 1 268 54 54 THR C C 174.629 0.004 1 269 54 54 THR CA C 61.858 0.000 1 270 54 54 THR N N 115.136 0.000 1 271 55 55 VAL H H 8.341 0.001 1 272 55 55 VAL C C 175.994 0.000 1 273 55 55 VAL CA C 62.515 0.000 1 274 55 55 VAL N N 123.394 0.000 1 275 56 56 ALA H H 8.516 0.001 1 276 56 56 ALA HA H 4.289 0.000 1 277 56 56 ALA C C 177.912 0.004 1 278 56 56 ALA CA C 52.624 0.000 1 279 56 56 ALA N N 128.118 0.000 1 280 57 57 GLU H H 8.407 0.001 1 281 57 57 GLU C C 176.535 0.000 1 282 57 57 GLU CA C 56.074 0.000 1 283 57 57 GLU N N 120.590 0.000 1 284 58 58 LYS H H 8.525 0.001 1 285 58 58 LYS HA H 4.336 0.000 1 286 58 58 LYS C C 177.056 0.005 1 287 58 58 LYS CA C 56.671 0.000 1 288 58 58 LYS N N 123.008 0.000 1 289 59 59 THR H H 8.256 0.001 1 290 59 59 THR HA H 4.283 0.000 1 291 59 59 THR C C 174.668 0.041 1 292 59 59 THR CA C 62.231 0.000 1 293 59 59 THR N N 116.021 0.000 1 294 60 60 LYS H H 8.449 0.001 1 295 60 60 LYS HA H 4.290 0.000 1 296 60 60 LYS C C 176.685 0.001 1 297 60 60 LYS CA C 56.652 0.000 1 298 60 60 LYS N N 123.867 0.000 1 299 61 61 GLU H H 8.435 0.001 1 300 61 61 GLU C C 176.096 0.000 1 301 61 61 GLU CA C 55.984 0.000 1 302 61 61 GLU N N 121.881 0.000 1 303 62 62 GLN H H 8.506 0.008 1 304 62 62 GLN HA H 4.346 0.000 1 305 62 62 GLN C C 175.955 0.004 1 306 62 62 GLN CA C 55.816 0.000 1 307 62 62 GLN N N 122.259 0.000 1 308 63 63 VAL H H 8.379 0.002 1 309 63 63 VAL HA H 4.194 0.003 1 310 63 63 VAL C C 176.380 0.005 1 311 63 63 VAL CA C 62.344 0.042 1 312 63 63 VAL N N 122.172 0.000 1 313 64 64 THR H H 8.384 0.001 1 314 64 64 THR HA H 4.367 0.000 1 315 64 64 THR C C 174.060 0.003 1 316 64 64 THR CA C 61.788 0.000 1 317 64 64 THR N N 118.402 0.000 1 318 65 65 ASN H H 8.605 0.001 1 319 65 65 ASN HA H 4.777 0.000 1 320 65 65 ASN C C 175.290 0.000 1 321 65 65 ASN CA C 53.094 0.008 1 322 65 65 ASN N N 121.979 0.000 1 323 66 66 VAL H H 8.333 0.003 1 324 66 66 VAL HA H 4.123 0.001 1 325 66 66 VAL C C 176.913 0.001 1 326 66 66 VAL CA C 62.658 0.044 1 327 66 66 VAL N N 120.975 0.000 1 328 67 67 GLY H H 8.637 0.001 1 329 67 67 GLY HA2 H 3.969 0.000 1 330 67 67 GLY HA3 H 3.969 0.000 1 331 67 67 GLY C C 174.690 0.002 1 332 67 67 GLY CA C 45.315 0.000 1 333 67 67 GLY N N 112.841 0.000 1 334 68 68 GLY H H 8.306 0.001 1 335 68 68 GLY HA2 H 3.943 0.000 1 336 68 68 GLY HA3 H 3.943 0.000 1 337 68 68 GLY C C 173.755 0.005 1 338 68 68 GLY CA C 45.004 0.000 1 339 68 68 GLY N N 108.933 0.000 1 340 69 69 ALA H H 8.244 0.002 1 341 69 69 ALA HA H 4.353 0.001 1 342 69 69 ALA C C 177.721 0.003 1 343 69 69 ALA CA C 52.275 0.001 1 344 69 69 ALA N N 123.880 0.000 1 345 70 70 VAL H H 8.312 0.000 1 346 70 70 VAL HA H 4.076 0.000 1 347 70 70 VAL C C 176.407 0.006 1 348 70 70 VAL CA C 62.427 0.000 1 349 70 70 VAL N N 120.790 0.000 1 350 71 71 VAL H H 8.491 0.000 1 351 71 71 VAL HA H 4.211 0.005 1 352 71 71 VAL C C 176.362 0.022 1 353 71 71 VAL CA C 62.135 0.011 1 354 71 71 VAL N N 125.791 0.000 1 355 72 72 THR H H 8.402 0.000 1 356 72 72 THR HA H 4.369 0.000 1 357 72 72 THR C C 174.936 0.004 1 358 72 72 THR CA C 61.890 0.000 1 359 72 72 THR N N 118.984 0.000 1 360 73 73 GLY H H 8.515 0.002 1 361 73 73 GLY HA2 H 3.990 0.000 1 362 73 73 GLY HA3 H 3.990 0.000 1 363 73 73 GLY C C 174.036 0.001 1 364 73 73 GLY CA C 45.211 0.000 1 365 73 73 GLY N N 111.496 0.000 1 366 74 74 VAL H H 8.169 0.002 1 367 74 74 VAL HA H 4.186 0.006 1 368 74 74 VAL C C 176.636 0.002 1 369 74 74 VAL CA C 62.323 0.021 1 370 74 74 VAL N N 119.710 0.000 1 371 75 75 THR H H 8.387 0.000 1 372 75 75 THR HA H 4.300 0.000 1 373 75 75 THR C C 174.112 0.010 1 374 75 75 THR CA C 61.980 0.000 1 375 75 75 THR N N 119.340 0.000 1 376 76 76 ALA H H 8.463 0.002 1 377 76 76 ALA HA H 4.338 0.004 1 378 76 76 ALA C C 177.656 0.004 1 379 76 76 ALA CA C 52.472 0.001 1 380 76 76 ALA N N 127.656 0.000 1 381 77 77 VAL H H 8.238 0.001 1 382 77 77 VAL HA H 4.042 0.000 1 383 77 77 VAL C C 176.107 0.002 1 384 77 77 VAL CA C 62.273 0.000 1 385 77 77 VAL N N 120.373 0.000 1 386 78 78 ALA H H 8.501 0.003 1 387 78 78 ALA HA H 4.284 0.000 1 388 78 78 ALA C C 177.733 0.003 1 389 78 78 ALA CA C 52.518 0.000 1 390 78 78 ALA N N 128.410 0.000 1 391 79 79 GLN H H 8.483 0.002 1 392 79 79 GLN HA H 4.283 0.000 1 393 79 79 GLN C C 176.056 0.003 1 394 79 79 GLN CA C 55.696 0.000 1 395 79 79 GLN N N 120.511 0.000 1 396 80 80 LYS H H 8.516 0.001 1 397 80 80 LYS HA H 4.364 0.000 1 398 80 80 LYS C C 176.740 0.005 1 399 80 80 LYS CA C 56.417 0.000 1 400 80 80 LYS N N 123.382 0.000 1 401 81 81 THR H H 8.347 0.001 1 402 81 81 THR HA H 4.331 0.000 1 403 81 81 THR C C 174.444 0.004 1 404 81 81 THR CA C 61.987 0.000 1 405 81 81 THR N N 117.035 0.000 1 406 82 82 VAL H H 8.397 0.001 1 407 82 82 VAL HA H 4.106 0.000 1 408 82 82 VAL C C 176.157 0.001 1 409 82 82 VAL CA C 62.336 0.000 1 410 82 82 VAL N N 123.512 0.000 1 411 83 83 GLU H H 8.605 0.001 1 412 83 83 GLU HA H 4.361 0.000 1 413 83 83 GLU C C 176.664 0.002 1 414 83 83 GLU CA C 56.069 0.000 1 415 83 83 GLU N N 125.030 0.000 1 416 84 84 GLY H H 8.589 0.001 1 417 84 84 GLY HA2 H 3.956 0.000 1 418 84 84 GLY HA3 H 3.956 0.000 1 419 84 84 GLY C C 174.075 0.003 1 420 84 84 GLY CA C 45.184 0.000 1 421 84 84 GLY N N 110.917 0.000 1 422 85 85 ALA H H 8.375 0.001 1 423 85 85 ALA HA H 4.304 0.000 1 424 85 85 ALA C C 178.584 0.004 1 425 85 85 ALA CA C 52.926 0.000 1 426 85 85 ALA N N 124.094 0.000 1 427 86 86 GLY H H 8.585 0.001 1 428 86 86 GLY HA2 H 3.965 0.000 1 429 86 86 GLY HA3 H 3.965 0.000 1 430 86 86 GLY C C 174.339 0.006 1 431 86 86 GLY CA C 45.227 0.000 1 432 86 86 GLY N N 108.375 0.000 1 433 87 87 SER H H 8.216 0.000 1 434 87 87 SER HA H 4.458 0.003 1 435 87 87 SER C C 174.731 0.004 1 436 87 87 SER CA C 58.383 0.042 1 437 87 87 SER N N 115.816 0.000 1 438 88 88 ILE H H 8.269 0.001 1 439 88 88 ILE HA H 4.160 0.003 1 440 88 88 ILE C C 176.339 0.002 1 441 88 88 ILE CA C 61.270 0.056 1 442 88 88 ILE N N 122.947 0.000 1 443 89 89 ALA H H 8.429 0.002 1 444 89 89 ALA HA H 4.245 0.000 1 445 89 89 ALA C C 177.632 0.001 1 446 89 89 ALA CA C 52.612 0.000 1 447 89 89 ALA N N 128.289 0.000 1 448 90 90 ALA H H 8.292 0.001 1 449 90 90 ALA HA H 4.234 0.000 1 450 90 90 ALA C C 177.793 0.002 1 451 90 90 ALA CA C 52.444 0.000 1 452 90 90 ALA N N 123.516 0.000 1 453 91 91 ALA H H 8.370 0.001 1 454 91 91 ALA HA H 4.352 0.001 1 455 91 91 ALA C C 178.211 0.007 1 456 91 91 ALA CA C 52.606 0.024 1 457 91 91 ALA N N 123.623 0.000 1 458 92 92 THR H H 8.173 0.000 1 459 92 92 THR HA H 4.298 0.000 1 460 92 92 THR C C 175.212 0.005 1 461 92 92 THR CA C 62.035 0.000 1 462 92 92 THR N N 112.860 0.000 1 463 93 93 GLY H H 8.377 0.002 1 464 93 93 GLY HA2 H 3.908 0.000 1 465 93 93 GLY HA3 H 3.908 0.000 1 466 93 93 GLY C C 173.697 0.001 1 467 93 93 GLY CA C 45.161 0.000 1 468 93 93 GLY N N 110.794 0.000 1 469 94 94 PHE H H 8.162 0.000 1 470 94 94 PHE HA H 4.600 0.007 1 471 94 94 PHE C C 175.585 0.003 1 472 94 94 PHE CA C 57.846 0.002 1 473 94 94 PHE N N 120.416 0.000 1 474 95 95 VAL H H 8.124 0.000 1 475 95 95 VAL HA H 4.005 0.000 1 476 95 95 VAL C C 175.536 0.011 1 477 95 95 VAL CA C 62.095 0.000 1 478 95 95 VAL N N 123.852 0.000 1 479 96 96 LYS H H 8.460 0.000 1 480 96 96 LYS HA H 4.218 0.003 1 481 96 96 LYS C C 176.536 0.000 1 482 96 96 LYS CA C 56.425 0.034 1 483 96 96 LYS N N 126.432 0.000 1 484 97 97 LYS H H 8.510 0.002 1 485 97 97 LYS HA H 4.279 0.000 1 486 97 97 LYS C C 176.489 0.010 1 487 97 97 LYS CA C 56.518 0.000 1 488 97 97 LYS N N 123.541 0.000 1 489 98 98 ASP H H 8.543 0.002 1 490 98 98 ASP HA H 4.615 0.000 1 491 98 98 ASP C C 175.760 0.000 1 492 98 98 ASP CA C 53.712 0.016 1 493 98 98 ASP N N 120.698 0.000 1 494 99 99 GLN H H 8.451 0.000 1 495 99 99 GLN HA H 4.299 0.000 1 496 99 99 GLN C C 176.033 0.001 1 497 99 99 GLN CA C 55.925 0.000 1 498 99 99 GLN N N 120.704 0.000 1 499 100 100 LEU H H 8.330 0.001 1 500 100 100 LEU HA H 4.335 0.002 1 501 100 100 LEU C C 177.995 0.007 1 502 100 100 LEU CA C 55.333 0.047 1 503 100 100 LEU N N 122.925 0.000 1 504 101 101 GLY H H 8.481 0.001 1 505 101 101 GLY HA2 H 3.939 0.000 1 506 101 101 GLY HA3 H 3.939 0.000 1 507 101 101 GLY C C 174.216 0.016 1 508 101 101 GLY CA C 45.296 0.000 1 509 101 101 GLY N N 109.708 0.000 1 510 102 102 LYS H H 8.269 0.001 1 511 102 102 LYS HA H 4.301 0.000 1 512 102 102 LYS C C 176.588 0.001 1 513 102 102 LYS CA C 56.363 0.000 1 514 102 102 LYS N N 120.814 0.000 1 515 103 103 ASN H H 8.655 0.001 1 516 103 103 ASN HA H 4.692 0.003 1 517 103 103 ASN C C 175.383 0.002 1 518 103 103 ASN CA C 53.361 0.019 1 519 103 103 ASN N N 119.570 0.000 1 520 104 104 GLU H H 8.435 0.003 1 521 104 104 GLU HA H 4.354 0.000 1 522 104 104 GLU C C 176.188 0.001 1 523 104 104 GLU CA C 56.056 0.000 1 524 104 104 GLU N N 120.773 0.000 1 525 105 105 GLU H H 8.452 0.001 1 526 105 105 GLU C C 176.606 0.000 1 527 105 105 GLU CA C 56.219 0.000 1 528 105 105 GLU N N 121.130 0.000 1 529 106 106 GLY H H 8.490 0.001 1 530 106 106 GLY HA2 H 3.925 0.000 1 531 106 106 GLY HA3 H 3.925 0.000 1 532 106 106 GLY C C 173.392 0.004 1 533 106 106 GLY CA C 44.981 0.000 1 534 106 106 GLY N N 110.190 0.000 1 535 107 107 ALA H H 8.183 0.002 1 536 107 107 ALA N N 124.884 0.000 1 537 108 108 PRO HA H 4.418 0.000 1 538 108 108 PRO C C 177.096 0.000 1 539 108 108 PRO CA C 63.171 0.032 1 540 109 109 GLN H H 8.615 0.001 1 541 109 109 GLN HA H 4.283 0.000 1 542 109 109 GLN C C 176.056 0.003 1 543 109 109 GLN CA C 55.752 0.000 1 544 109 109 GLN N N 120.853 0.000 1 545 110 110 GLU H H 8.516 0.002 1 546 110 110 GLU HA H 4.364 0.000 1 547 110 110 GLU C C 176.562 0.008 1 548 110 110 GLU CA C 56.018 0.000 1 549 110 110 GLU N N 121.796 0.000 1 550 111 111 GLY H H 8.525 0.001 1 551 111 111 GLY HA2 H 3.940 0.000 1 552 111 111 GLY HA3 H 3.940 0.000 1 553 111 111 GLY C C 174.030 0.004 1 554 111 111 GLY CA C 45.323 0.000 1 555 111 111 GLY N N 110.234 0.000 1 556 112 112 ILE H H 8.037 0.002 1 557 112 112 ILE HA H 4.160 0.003 1 558 112 112 ILE C C 176.482 0.003 1 559 112 112 ILE CA C 61.218 0.005 1 560 112 112 ILE N N 119.964 0.000 1 561 113 113 LEU H H 8.401 0.001 1 562 113 113 LEU HA H 4.353 0.005 1 563 113 113 LEU C C 177.316 0.000 1 564 113 113 LEU CA C 55.267 0.000 1 565 113 113 LEU N N 125.956 0.000 1 566 114 114 GLU H H 8.367 0.004 1 567 114 114 GLU HA H 4.330 0.000 1 568 114 114 GLU C C 175.606 0.016 1 569 114 114 GLU CA C 55.794 0.000 1 570 114 114 GLU N N 120.813 0.000 1 571 115 115 ASP H H 8.454 0.003 1 572 115 115 ASP HA H 4.674 0.000 1 573 115 115 ASP C C 174.907 0.000 1 574 115 115 ASP CA C 53.150 0.015 1 575 115 115 ASP N N 119.856 0.000 1 576 116 116 MET H H 8.265 0.002 1 577 116 116 MET N N 121.826 0.000 1 578 117 117 PRO HA H 4.444 0.005 1 579 117 117 PRO C C 176.697 0.002 1 580 117 117 PRO CA C 62.922 0.035 1 581 118 118 VAL H H 8.345 0.003 1 582 118 118 VAL HA H 4.029 0.000 1 583 118 118 VAL C C 175.762 0.007 1 584 118 118 VAL CA C 62.210 0.000 1 585 118 118 VAL N N 120.792 0.000 1 586 119 119 ASP H H 8.648 0.003 1 587 119 119 ASP N N 124.432 0.000 1 588 120 120 PRO HA H 4.358 0.001 1 589 120 120 PRO C C 176.934 0.009 1 590 120 120 PRO CA C 63.591 0.074 1 591 121 121 ASP H H 8.411 0.002 1 592 121 121 ASP HA H 4.665 0.028 1 593 121 121 ASP C C 175.346 0.003 1 594 121 121 ASP CA C 53.559 0.001 1 595 121 121 ASP N N 117.882 0.000 1 596 122 122 ASN H H 8.207 0.001 1 597 122 122 ASN HA H 4.687 0.000 1 598 122 122 ASN C C 175.436 0.000 1 599 122 122 ASN CA C 53.382 0.040 1 600 122 122 ASN N N 118.858 0.000 1 601 123 123 GLU H H 8.295 0.001 1 602 123 123 GLU HA H 4.271 0.000 1 603 123 123 GLU C C 176.000 0.005 1 604 123 123 GLU CA C 56.221 0.000 1 605 123 123 GLU N N 120.615 0.000 1 606 124 124 ALA H H 8.294 0.001 1 607 124 124 ALA HA H 4.224 0.000 1 608 124 124 ALA C C 177.501 0.002 1 609 124 124 ALA CA C 52.829 0.000 1 610 124 124 ALA N N 123.964 0.000 1 611 125 125 TYR H H 8.016 0.003 1 612 125 125 TYR HA H 4.509 0.004 1 613 125 125 TYR C C 175.496 0.002 1 614 125 125 TYR CA C 57.841 0.030 1 615 125 125 TYR N N 118.634 0.000 1 616 126 126 GLU H H 8.030 0.002 1 617 126 126 GLU HA H 4.316 0.000 1 618 126 126 GLU C C 175.224 0.003 1 619 126 126 GLU CA C 55.154 0.013 1 620 126 126 GLU N N 122.210 0.000 1 621 127 127 MET H H 8.336 0.001 1 622 127 127 MET N N 122.919 0.000 1 623 128 128 PRO HA H 4.357 0.000 1 624 128 128 PRO C C 177.118 0.002 1 625 128 128 PRO CA C 63.544 0.027 1 626 129 129 SER H H 8.425 0.001 1 627 129 129 SER HA H 4.371 0.003 1 628 129 129 SER C C 174.952 0.019 1 629 129 129 SER CA C 58.552 0.025 1 630 129 129 SER N N 115.440 0.000 1 631 130 130 GLU H H 8.438 0.000 1 632 130 130 GLU HA H 4.377 0.000 1 633 130 130 GLU C C 176.185 0.001 1 634 130 130 GLU CA C 56.002 0.000 1 635 130 130 GLU N N 122.072 0.000 1 636 131 131 GLU H H 8.360 0.000 1 637 131 131 GLU HA H 4.286 0.000 1 638 131 131 GLU C C 176.581 0.001 1 639 131 131 GLU CA C 56.307 0.000 1 640 131 131 GLU N N 120.805 0.000 1 641 132 132 GLY H H 8.434 0.001 1 642 132 132 GLY HA2 H 3.879 0.000 1 643 132 132 GLY HA3 H 3.879 0.000 1 644 132 132 GLY C C 174.006 0.009 1 645 132 132 GLY CA C 45.233 0.000 1 646 132 132 GLY N N 109.848 0.000 1 647 133 133 TYR H H 8.084 0.002 1 648 133 133 TYR HA H 4.507 0.005 1 649 133 133 TYR C C 175.882 0.008 1 650 133 133 TYR CA C 58.206 0.045 1 651 133 133 TYR N N 120.206 0.000 1 652 134 134 GLN H H 8.326 0.002 1 653 134 134 GLN HA H 4.207 0.002 1 654 134 134 GLN C C 175.092 0.004 1 655 134 134 GLN CA C 55.618 0.031 1 656 134 134 GLN N N 122.181 0.000 1 657 135 135 ASP H H 8.346 0.000 1 658 135 135 ASP HA H 4.607 0.001 1 659 135 135 ASP C C 174.778 0.005 1 660 135 135 ASP CA C 53.088 0.074 1 661 135 135 ASP N N 120.121 0.000 1 662 136 136 TYR H H 8.160 0.002 1 663 136 136 TYR HA H 4.534 0.009 1 664 136 136 TYR C C 175.155 0.001 1 665 136 136 TYR CA C 57.867 0.036 1 666 136 136 TYR N N 121.086 0.000 1 667 137 137 GLU H H 8.143 0.002 1 668 137 137 GLU N N 124.144 0.000 1 669 138 138 PRO HA H 4.337 0.000 1 670 138 138 PRO C C 176.796 0.005 1 671 138 138 PRO CA C 62.912 0.030 1 672 139 139 GLU H H 8.498 0.000 1 673 139 139 GLU HA H 4.312 0.000 1 674 139 139 GLU C C 175.401 0.006 1 675 139 139 GLU CA C 55.655 0.000 1 676 139 139 GLU N N 120.880 0.000 1 677 140 140 ALA H H 8.323 0.001 1 678 140 140 ALA HA H 4.216 0.000 1 679 140 140 ALA C C 172.531 0.000 1 680 140 140 ALA N N 128.966 0.000 1 stop_ save_ save_assigned_chem_shif_list_9 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_3.78 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.129 0.004 1 2 1 1 MET C C 171.868 0.001 1 3 1 1 MET CA C 54.954 0.025 1 4 2 2 ASP H H 8.893 0.001 1 5 2 2 ASP HA H 4.736 0.000 1 6 2 2 ASP C C 175.473 0.000 1 7 2 2 ASP CA C 53.756 0.029 1 8 2 2 ASP N N 124.368 0.000 1 9 3 3 VAL H H 8.358 0.000 1 10 3 3 VAL HA H 4.021 0.000 1 11 3 3 VAL C C 175.884 0.002 1 12 3 3 VAL CA C 62.515 0.000 1 13 3 3 VAL N N 120.949 0.000 1 14 4 4 PHE H H 8.422 0.002 1 15 4 4 PHE HA H 4.606 0.002 1 16 4 4 PHE C C 175.805 0.001 1 17 4 4 PHE CA C 57.905 0.058 1 18 4 4 PHE N N 123.964 0.000 1 19 5 5 MET H H 8.288 0.001 1 20 5 5 MET HA H 4.394 0.006 1 21 5 5 MET C C 175.913 0.000 1 22 5 5 MET CA C 55.200 0.049 1 23 5 5 MET N N 122.713 0.000 1 24 6 6 LYS H H 8.353 0.000 1 25 6 6 LYS HA H 4.197 0.005 1 26 6 6 LYS C C 177.180 0.003 1 27 6 6 LYS CA C 56.898 0.018 1 28 6 6 LYS N N 122.958 0.000 1 29 7 7 GLY H H 8.490 0.001 1 30 7 7 GLY HA2 H 3.936 0.000 1 31 7 7 GLY HA3 H 3.936 0.000 1 32 7 7 GLY C C 174.191 0.002 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.147 0.000 1 35 8 8 LEU H H 8.138 0.001 1 36 8 8 LEU HA H 4.378 0.004 1 37 8 8 LEU C C 177.704 0.005 1 38 8 8 LEU CA C 55.135 0.032 1 39 8 8 LEU N N 121.718 0.000 1 40 9 9 SER H H 8.399 0.003 1 41 9 9 SER HA H 4.406 0.006 1 42 9 9 SER C C 174.673 0.009 1 43 9 9 SER CA C 58.358 0.041 1 44 9 9 SER N N 116.970 0.000 1 45 10 10 LYS H H 8.471 0.001 1 46 10 10 LYS HA H 4.365 0.000 1 47 10 10 LYS C C 176.743 0.001 1 48 10 10 LYS CA C 56.489 0.000 1 49 10 10 LYS N N 123.853 0.000 1 50 11 11 ALA H H 8.357 0.002 1 51 11 11 ALA HA H 4.240 0.000 1 52 11 11 ALA C C 178.055 0.001 1 53 11 11 ALA CA C 52.814 0.000 1 54 11 11 ALA N N 125.180 0.000 1 55 12 12 LYS H H 8.397 0.001 1 56 12 12 LYS HA H 4.256 0.000 1 57 12 12 LYS C C 176.821 0.004 1 58 12 12 LYS CA C 56.465 0.000 1 59 12 12 LYS N N 120.948 0.000 1 60 13 13 GLU H H 8.464 0.001 1 61 13 13 GLU C C 176.846 0.000 1 62 13 13 GLU CA C 56.298 0.000 1 63 13 13 GLU N N 121.932 0.000 1 64 14 14 GLY H H 8.525 0.003 1 65 14 14 GLY C C 174.077 0.000 1 66 14 14 GLY CA C 45.256 0.000 1 67 14 14 GLY N N 110.319 0.000 1 68 15 15 VAL H H 8.067 0.001 1 69 15 15 VAL HA H 4.075 0.000 1 70 15 15 VAL C C 176.671 0.001 1 71 15 15 VAL CA C 62.735 0.000 1 72 15 15 VAL N N 120.388 0.000 1 73 16 16 VAL H H 8.364 0.001 1 74 16 16 VAL C C 176.189 0.000 1 75 16 16 VAL CA C 62.642 0.000 1 76 16 16 VAL N N 125.469 0.000 1 77 17 17 ALA H H 8.511 0.001 1 78 17 17 ALA HA H 4.259 0.000 1 79 17 17 ALA C C 177.909 0.003 1 80 17 17 ALA CA C 52.735 0.000 1 81 17 17 ALA N N 128.444 0.000 1 82 18 18 ALA H H 8.372 0.001 1 83 18 18 ALA HA H 4.227 0.000 1 84 18 18 ALA C C 178.044 0.001 1 85 18 18 ALA CA C 52.784 0.000 1 86 18 18 ALA N N 123.624 0.000 1 87 19 19 ALA H H 8.323 0.003 1 88 19 19 ALA HA H 4.261 0.000 1 89 19 19 ALA C C 178.278 0.001 1 90 19 19 ALA CA C 52.802 0.000 1 91 19 19 ALA N N 123.114 0.000 1 92 20 20 GLU H H 8.344 0.000 1 93 20 20 GLU C C 176.677 0.000 1 94 20 20 GLU CA C 56.247 0.000 1 95 20 20 GLU N N 119.843 0.000 1 96 21 21 LYS H H 8.405 0.001 1 97 21 21 LYS HA H 4.333 0.000 1 98 21 21 LYS C C 177.180 0.001 1 99 21 21 LYS CA C 56.747 0.000 1 100 21 21 LYS N N 122.563 0.000 1 101 22 22 THR H H 8.215 0.001 1 102 22 22 THR HA H 4.294 0.000 1 103 22 22 THR C C 174.739 0.006 1 104 22 22 THR CA C 62.218 0.000 1 105 22 22 THR N N 115.649 0.000 1 106 23 23 LYS H H 8.456 0.000 1 107 23 23 LYS HA H 4.290 0.000 1 108 23 23 LYS C C 176.799 0.004 1 109 23 23 LYS CA C 56.756 0.000 1 110 23 23 LYS N N 123.923 0.000 1 111 24 24 GLN H H 8.514 0.001 1 112 24 24 GLN HA H 4.300 0.000 1 113 24 24 GLN C C 176.691 0.003 1 114 24 24 GLN CA C 56.247 0.000 1 115 24 24 GLN N N 121.974 0.000 1 116 25 25 GLY H H 8.531 0.003 1 117 25 25 GLY HA2 H 3.991 0.000 1 118 25 25 GLY HA3 H 3.991 0.000 1 119 25 25 GLY C C 174.315 0.002 1 120 25 25 GLY CA C 45.337 0.000 1 121 25 25 GLY N N 110.718 0.000 1 122 26 26 VAL H H 8.096 0.003 1 123 26 26 VAL HA H 4.064 0.000 1 124 26 26 VAL C C 176.431 0.003 1 125 26 26 VAL CA C 62.592 0.000 1 126 26 26 VAL N N 120.028 0.000 1 127 27 27 ALA H H 8.492 0.001 1 128 27 27 ALA HA H 4.284 0.000 1 129 27 27 ALA C C 178.153 0.002 1 130 27 27 ALA CA C 52.775 0.000 1 131 27 27 ALA N N 127.553 0.000 1 132 28 28 GLU H H 8.424 0.002 1 133 28 28 GLU HA H 4.268 0.000 1 134 28 28 GLU C C 176.363 0.021 1 135 28 28 GLU CA C 56.197 0.000 1 136 28 28 GLU N N 120.349 0.000 1 137 29 29 ALA H H 8.386 0.001 1 138 29 29 ALA HA H 4.259 0.000 1 139 29 29 ALA C C 177.757 0.004 1 140 29 29 ALA CA C 52.645 0.000 1 141 29 29 ALA N N 125.295 0.000 1 142 30 30 ALA H H 8.342 0.000 1 143 30 30 ALA HA H 4.285 0.000 1 144 30 30 ALA C C 178.556 0.001 1 145 30 30 ALA CA C 52.807 0.000 1 146 30 30 ALA N N 123.366 0.000 1 147 31 31 GLY H H 8.399 0.002 1 148 31 31 GLY HA2 H 3.917 0.000 1 149 31 31 GLY HA3 H 3.917 0.000 1 150 31 31 GLY C C 174.287 0.003 1 151 31 31 GLY CA C 45.289 0.000 1 152 31 31 GLY N N 107.973 0.000 1 153 32 32 LYS H H 8.212 0.002 1 154 32 32 LYS HA H 4.407 0.003 1 155 32 32 LYS C C 177.099 0.004 1 156 32 32 LYS CA C 56.271 0.010 1 157 32 32 LYS N N 120.815 0.000 1 158 33 33 THR H H 8.277 0.001 1 159 33 33 THR HA H 4.308 0.000 1 160 33 33 THR C C 174.640 0.005 1 161 33 33 THR CA C 62.050 0.000 1 162 33 33 THR N N 115.776 0.000 1 163 34 34 LYS H H 8.532 0.002 1 164 34 34 LYS C C 176.530 0.000 1 165 34 34 LYS CA C 56.494 0.000 1 166 34 34 LYS N N 124.133 0.000 1 167 35 35 GLU H H 8.483 0.001 1 168 35 35 GLU HA H 4.339 0.000 1 169 35 35 GLU C C 176.702 0.005 1 170 35 35 GLU CA C 56.110 0.000 1 171 35 35 GLU N N 121.960 0.000 1 172 36 36 GLY H H 8.516 0.001 1 173 36 36 GLY HA2 H 3.956 0.000 1 174 36 36 GLY HA3 H 3.956 0.000 1 175 36 36 GLY C C 173.990 0.002 1 176 36 36 GLY CA C 45.192 0.000 1 177 36 36 GLY N N 110.384 0.000 1 178 37 37 VAL H H 8.038 0.001 1 179 37 37 VAL HA H 4.054 0.000 1 180 37 37 VAL C C 176.040 0.000 1 181 37 37 VAL CA C 62.377 0.000 1 182 37 37 VAL N N 119.720 0.000 1 183 38 38 LEU H H 8.362 0.002 1 184 38 38 LEU HA H 4.344 0.003 1 185 38 38 LEU C C 176.658 0.001 1 186 38 38 LEU CA C 54.910 0.028 1 187 38 38 LEU N N 126.047 0.000 1 188 39 39 TYR H H 8.362 0.001 1 189 39 39 TYR HA H 4.555 0.014 1 190 39 39 TYR C C 175.618 0.003 1 191 39 39 TYR CA C 57.947 0.038 1 192 39 39 TYR N N 122.792 0.000 1 193 40 40 VAL H H 8.142 0.001 1 194 40 40 VAL HA H 4.048 0.000 1 195 40 40 VAL C C 176.150 0.000 1 196 40 40 VAL CA C 62.184 0.000 1 197 40 40 VAL N N 123.860 0.000 1 198 41 41 GLY H H 8.091 0.002 1 199 41 41 GLY HA2 H 3.929 0.000 1 200 41 41 GLY HA3 H 3.929 0.000 1 201 41 41 GLY C C 173.984 0.000 1 202 41 41 GLY CA C 45.138 0.000 1 203 41 41 GLY N N 112.303 0.000 1 204 42 42 SER H H 8.324 0.002 1 205 42 42 SER HA H 4.431 0.000 1 206 42 42 SER C C 174.920 0.000 1 207 42 42 SER CA C 58.355 0.027 1 208 42 42 SER N N 115.674 0.000 1 209 43 43 LYS H H 8.578 0.001 1 210 43 43 LYS HA H 4.399 0.001 1 211 43 43 LYS C C 176.959 0.000 1 212 43 43 LYS CA C 56.472 0.039 1 213 43 43 LYS N N 123.638 0.000 1 214 44 44 THR H H 8.218 0.002 1 215 44 44 THR HA H 4.294 0.000 1 216 44 44 THR C C 174.565 0.001 1 217 44 44 THR CA C 62.058 0.000 1 218 44 44 THR N N 115.619 0.000 1 219 45 45 LYS H H 8.491 0.001 1 220 45 45 LYS HA H 4.297 0.000 1 221 45 45 LYS C C 176.534 0.000 1 222 45 45 LYS CA C 56.454 0.000 1 223 45 45 LYS N N 124.169 0.000 1 224 46 46 GLU H H 8.493 0.001 1 225 46 46 GLU HA H 4.340 0.000 1 226 46 46 GLU C C 176.703 0.004 1 227 46 46 GLU CA C 56.115 0.000 1 228 46 46 GLU N N 122.169 0.000 1 229 47 47 GLY H H 8.516 0.001 1 230 47 47 GLY HA2 H 3.907 0.000 1 231 47 47 GLY HA3 H 3.907 0.000 1 232 47 47 GLY C C 173.817 0.008 1 233 47 47 GLY CA C 45.153 0.000 1 234 47 47 GLY N N 110.383 0.000 1 235 48 48 VAL H H 8.048 0.001 1 236 48 48 VAL HA H 4.086 0.000 1 237 48 48 VAL C C 176.190 0.004 1 238 48 48 VAL CA C 62.273 0.000 1 239 48 48 VAL N N 119.997 0.000 1 240 49 49 VAL H H 8.387 0.002 1 241 49 49 VAL HA H 4.059 0.000 1 242 49 49 VAL C C 175.993 0.002 1 243 49 49 VAL CA C 62.243 0.000 1 244 49 49 VAL N N 125.295 0.000 1 245 50 50 HIS H H 8.804 0.002 1 246 50 50 HIS HA H 4.740 0.005 1 247 50 50 HIS C C 174.737 0.013 1 248 50 50 HIS CA C 55.116 0.026 1 249 50 50 HIS N N 123.571 0.000 1 250 51 51 GLY H H 8.560 0.001 1 251 51 51 GLY HA2 H 4.000 0.000 1 252 51 51 GLY HA3 H 4.000 0.000 1 253 51 51 GLY C C 173.741 0.003 1 254 51 51 GLY CA C 45.055 0.000 1 255 51 51 GLY N N 110.787 0.000 1 256 52 52 VAL H H 8.200 0.000 1 257 52 52 VAL HA H 4.145 0.006 1 258 52 52 VAL C C 176.010 0.005 1 259 52 52 VAL CA C 61.971 0.044 1 260 52 52 VAL N N 119.820 0.000 1 261 53 53 ALA H H 8.589 0.001 1 262 53 53 ALA HA H 4.404 0.005 1 263 53 53 ALA C C 177.904 0.005 1 264 53 53 ALA CA C 52.407 0.016 1 265 53 53 ALA N N 128.558 0.000 1 266 54 54 THR H H 8.293 0.002 1 267 54 54 THR HA H 4.308 0.000 1 268 54 54 THR C C 174.635 0.000 1 269 54 54 THR CA C 61.856 0.000 1 270 54 54 THR N N 115.096 0.000 1 271 55 55 VAL H H 8.339 0.002 1 272 55 55 VAL C C 176.007 0.000 1 273 55 55 VAL CA C 62.515 0.000 1 274 55 55 VAL N N 123.366 0.000 1 275 56 56 ALA H H 8.512 0.001 1 276 56 56 ALA HA H 4.289 0.000 1 277 56 56 ALA C C 177.906 0.002 1 278 56 56 ALA CA C 52.624 0.000 1 279 56 56 ALA N N 128.091 0.000 1 280 57 57 GLU H H 8.407 0.002 1 281 57 57 GLU C C 176.550 0.000 1 282 57 57 GLU CA C 56.123 0.000 1 283 57 57 GLU N N 120.626 0.000 1 284 58 58 LYS H H 8.517 0.001 1 285 58 58 LYS HA H 4.345 0.000 1 286 58 58 LYS C C 177.077 0.004 1 287 58 58 LYS CA C 56.668 0.000 1 288 58 58 LYS N N 122.945 0.000 1 289 59 59 THR H H 8.257 0.002 1 290 59 59 THR HA H 4.267 0.000 1 291 59 59 THR C C 174.656 0.012 1 292 59 59 THR CA C 62.233 0.000 1 293 59 59 THR N N 116.019 0.000 1 294 60 60 LYS H H 8.441 0.002 1 295 60 60 LYS HA H 4.290 0.000 1 296 60 60 LYS C C 176.705 0.001 1 297 60 60 LYS CA C 56.652 0.000 1 298 60 60 LYS N N 123.867 0.000 1 299 61 61 GLU H H 8.436 0.002 1 300 61 61 GLU C C 176.160 0.000 1 301 61 61 GLU CA C 56.147 0.000 1 302 61 61 GLU N N 121.881 0.000 1 303 62 62 GLN H H 8.497 0.004 1 304 62 62 GLN HA H 4.343 0.000 1 305 62 62 GLN C C 175.959 0.002 1 306 62 62 GLN CA C 55.852 0.000 1 307 62 62 GLN N N 122.193 0.000 1 308 63 63 VAL H H 8.376 0.003 1 309 63 63 VAL HA H 4.194 0.003 1 310 63 63 VAL C C 176.387 0.003 1 311 63 63 VAL CA C 62.344 0.042 1 312 63 63 VAL N N 122.168 0.000 1 313 64 64 THR H H 8.383 0.001 1 314 64 64 THR HA H 4.360 0.000 1 315 64 64 THR C C 174.064 0.001 1 316 64 64 THR CA C 61.785 0.000 1 317 64 64 THR N N 118.381 0.000 1 318 65 65 ASN H H 8.604 0.001 1 319 65 65 ASN HA H 4.777 0.000 1 320 65 65 ASN C C 175.290 0.000 1 321 65 65 ASN CA C 53.101 0.011 1 322 65 65 ASN N N 121.992 0.000 1 323 66 66 VAL H H 8.330 0.003 1 324 66 66 VAL HA H 4.119 0.006 1 325 66 66 VAL C C 176.914 0.003 1 326 66 66 VAL CA C 62.662 0.047 1 327 66 66 VAL N N 120.960 0.000 1 328 67 67 GLY H H 8.633 0.000 1 329 67 67 GLY HA2 H 3.966 0.000 1 330 67 67 GLY HA3 H 3.966 0.000 1 331 67 67 GLY C C 174.692 0.001 1 332 67 67 GLY CA C 45.347 0.000 1 333 67 67 GLY N N 112.825 0.000 1 334 68 68 GLY H H 8.304 0.002 1 335 68 68 GLY HA2 H 3.940 0.000 1 336 68 68 GLY HA3 H 3.940 0.000 1 337 68 68 GLY C C 173.754 0.004 1 338 68 68 GLY CA C 45.005 0.000 1 339 68 68 GLY N N 108.918 0.000 1 340 69 69 ALA H H 8.242 0.003 1 341 69 69 ALA HA H 4.345 0.006 1 342 69 69 ALA C C 177.721 0.002 1 343 69 69 ALA CA C 52.286 0.010 1 344 69 69 ALA N N 123.880 0.000 1 345 70 70 VAL H H 8.306 0.001 1 346 70 70 VAL HA H 4.082 0.000 1 347 70 70 VAL C C 176.399 0.003 1 348 70 70 VAL CA C 62.427 0.000 1 349 70 70 VAL N N 120.743 0.000 1 350 71 71 VAL H H 8.490 0.002 1 351 71 71 VAL HA H 4.213 0.003 1 352 71 71 VAL C C 176.339 0.001 1 353 71 71 VAL CA C 62.135 0.011 1 354 71 71 VAL N N 125.798 0.000 1 355 72 72 THR H H 8.401 0.001 1 356 72 72 THR HA H 4.358 0.000 1 357 72 72 THR C C 174.943 0.001 1 358 72 72 THR CA C 61.890 0.000 1 359 72 72 THR N N 118.997 0.000 1 360 73 73 GLY H H 8.513 0.001 1 361 73 73 GLY HA2 H 3.990 0.000 1 362 73 73 GLY HA3 H 3.990 0.000 1 363 73 73 GLY C C 174.036 0.001 1 364 73 73 GLY CA C 45.211 0.000 1 365 73 73 GLY N N 111.509 0.000 1 366 74 74 VAL H H 8.168 0.003 1 367 74 74 VAL HA H 4.187 0.005 1 368 74 74 VAL C C 176.628 0.006 1 369 74 74 VAL CA C 62.323 0.021 1 370 74 74 VAL N N 119.709 0.000 1 371 75 75 THR H H 8.387 0.000 1 372 75 75 THR HA H 4.311 0.000 1 373 75 75 THR C C 174.115 0.005 1 374 75 75 THR CA C 61.980 0.000 1 375 75 75 THR N N 119.333 0.000 1 376 76 76 ALA H H 8.461 0.002 1 377 76 76 ALA HA H 4.332 0.001 1 378 76 76 ALA C C 177.642 0.006 1 379 76 76 ALA CA C 52.459 0.015 1 380 76 76 ALA N N 127.650 0.000 1 381 77 77 VAL H H 8.237 0.002 1 382 77 77 VAL HA H 4.039 0.000 1 383 77 77 VAL C C 176.102 0.001 1 384 77 77 VAL CA C 62.267 0.000 1 385 77 77 VAL N N 120.387 0.000 1 386 78 78 ALA H H 8.496 0.004 1 387 78 78 ALA HA H 4.284 0.000 1 388 78 78 ALA C C 177.732 0.001 1 389 78 78 ALA CA C 52.501 0.000 1 390 78 78 ALA N N 128.417 0.000 1 391 79 79 GLN H H 8.482 0.002 1 392 79 79 GLN HA H 4.283 0.000 1 393 79 79 GLN C C 176.055 0.002 1 394 79 79 GLN CA C 55.696 0.000 1 395 79 79 GLN N N 120.510 0.000 1 396 80 80 LYS H H 8.516 0.001 1 397 80 80 LYS HA H 4.364 0.000 1 398 80 80 LYS C C 176.747 0.002 1 399 80 80 LYS CA C 56.417 0.000 1 400 80 80 LYS N N 123.385 0.000 1 401 81 81 THR H H 8.347 0.001 1 402 81 81 THR HA H 4.332 0.000 1 403 81 81 THR C C 174.447 0.006 1 404 81 81 THR CA C 61.987 0.000 1 405 81 81 THR N N 117.057 0.000 1 406 82 82 VAL H H 8.395 0.000 1 407 82 82 VAL HA H 4.103 0.000 1 408 82 82 VAL C C 176.165 0.002 1 409 82 82 VAL CA C 62.325 0.000 1 410 82 82 VAL N N 123.501 0.000 1 411 83 83 GLU H H 8.607 0.000 1 412 83 83 GLU HA H 4.356 0.000 1 413 83 83 GLU C C 176.700 0.000 1 414 83 83 GLU CA C 56.137 0.000 1 415 83 83 GLU N N 125.030 0.000 1 416 84 84 GLY H H 8.589 0.001 1 417 84 84 GLY HA2 H 3.955 0.000 1 418 84 84 GLY HA3 H 3.955 0.000 1 419 84 84 GLY C C 174.085 0.003 1 420 84 84 GLY CA C 45.223 0.000 1 421 84 84 GLY N N 110.922 0.000 1 422 85 85 ALA H H 8.371 0.002 1 423 85 85 ALA HA H 4.304 0.000 1 424 85 85 ALA C C 178.582 0.002 1 425 85 85 ALA CA C 52.931 0.000 1 426 85 85 ALA N N 124.094 0.000 1 427 86 86 GLY H H 8.582 0.002 1 428 86 86 GLY HA2 H 3.964 0.000 1 429 86 86 GLY HA3 H 3.964 0.000 1 430 86 86 GLY C C 174.335 0.007 1 431 86 86 GLY CA C 45.227 0.000 1 432 86 86 GLY N N 108.368 0.000 1 433 87 87 SER H H 8.213 0.002 1 434 87 87 SER HA H 4.455 0.000 1 435 87 87 SER C C 174.733 0.003 1 436 87 87 SER CA C 58.383 0.041 1 437 87 87 SER N N 115.782 0.000 1 438 88 88 ILE H H 8.267 0.001 1 439 88 88 ILE HA H 4.162 0.001 1 440 88 88 ILE C C 176.345 0.003 1 441 88 88 ILE CA C 61.270 0.056 1 442 88 88 ILE N N 122.942 0.000 1 443 89 89 ALA H H 8.427 0.001 1 444 89 89 ALA HA H 4.242 0.000 1 445 89 89 ALA C C 177.625 0.005 1 446 89 89 ALA CA C 52.609 0.000 1 447 89 89 ALA N N 128.268 0.000 1 448 90 90 ALA H H 8.291 0.002 1 449 90 90 ALA HA H 4.234 0.000 1 450 90 90 ALA C C 177.791 0.004 1 451 90 90 ALA CA C 52.455 0.000 1 452 90 90 ALA N N 123.516 0.000 1 453 91 91 ALA H H 8.365 0.001 1 454 91 91 ALA HA H 4.347 0.004 1 455 91 91 ALA C C 178.203 0.003 1 456 91 91 ALA CA C 52.602 0.020 1 457 91 91 ALA N N 123.611 0.000 1 458 92 92 THR H H 8.169 0.001 1 459 92 92 THR HA H 4.289 0.000 1 460 92 92 THR C C 175.219 0.002 1 461 92 92 THR CA C 62.035 0.000 1 462 92 92 THR N N 112.851 0.000 1 463 93 93 GLY H H 8.374 0.000 1 464 93 93 GLY HA2 H 3.903 0.000 1 465 93 93 GLY HA3 H 3.903 0.000 1 466 93 93 GLY C C 173.683 0.002 1 467 93 93 GLY CA C 45.161 0.000 1 468 93 93 GLY N N 110.776 0.000 1 469 94 94 PHE H H 8.161 0.000 1 470 94 94 PHE HA H 4.604 0.003 1 471 94 94 PHE C C 175.583 0.004 1 472 94 94 PHE CA C 57.840 0.007 1 473 94 94 PHE N N 120.416 0.000 1 474 95 95 VAL H H 8.123 0.001 1 475 95 95 VAL HA H 3.994 0.000 1 476 95 95 VAL C C 175.524 0.001 1 477 95 95 VAL CA C 62.079 0.000 1 478 95 95 VAL N N 123.868 0.000 1 479 96 96 LYS H H 8.460 0.001 1 480 96 96 LYS HA H 4.214 0.000 1 481 96 96 LYS C C 176.543 0.003 1 482 96 96 LYS CA C 56.425 0.034 1 483 96 96 LYS N N 126.467 0.000 1 484 97 97 LYS H H 8.513 0.001 1 485 97 97 LYS HA H 4.271 0.000 1 486 97 97 LYS C C 176.472 0.005 1 487 97 97 LYS CA C 56.502 0.000 1 488 97 97 LYS N N 123.600 0.000 1 489 98 98 ASP H H 8.530 0.002 1 490 98 98 ASP HA H 4.607 0.000 1 491 98 98 ASP C C 175.862 0.002 1 492 98 98 ASP CA C 53.802 0.012 1 493 98 98 ASP N N 120.778 0.000 1 494 99 99 GLN H H 8.448 0.000 1 495 99 99 GLN HA H 4.299 0.000 1 496 99 99 GLN C C 176.052 0.001 1 497 99 99 GLN CA C 55.934 0.000 1 498 99 99 GLN N N 120.620 0.000 1 499 100 100 LEU H H 8.330 0.001 1 500 100 100 LEU HA H 4.333 0.001 1 501 100 100 LEU C C 178.009 0.001 1 502 100 100 LEU CA C 55.329 0.043 1 503 100 100 LEU N N 122.881 0.000 1 504 101 101 GLY H H 8.485 0.003 1 505 101 101 GLY HA2 H 3.935 0.000 1 506 101 101 GLY HA3 H 3.935 0.000 1 507 101 101 GLY C C 174.233 0.001 1 508 101 101 GLY CA C 45.306 0.000 1 509 101 101 GLY N N 109.707 0.000 1 510 102 102 LYS H H 8.269 0.003 1 511 102 102 LYS HA H 4.301 0.000 1 512 102 102 LYS C C 176.587 0.000 1 513 102 102 LYS CA C 56.363 0.000 1 514 102 102 LYS N N 120.832 0.000 1 515 103 103 ASN H H 8.656 0.001 1 516 103 103 ASN HA H 4.693 0.002 1 517 103 103 ASN C C 175.394 0.000 1 518 103 103 ASN CA C 53.407 0.001 1 519 103 103 ASN N N 119.600 0.000 1 520 104 104 GLU H H 8.441 0.001 1 521 104 104 GLU HA H 4.350 0.000 1 522 104 104 GLU C C 176.220 0.001 1 523 104 104 GLU CA C 56.100 0.000 1 524 104 104 GLU N N 120.859 0.000 1 525 105 105 GLU H H 8.455 0.001 1 526 105 105 GLU C C 176.639 0.000 1 527 105 105 GLU CA C 56.269 0.000 1 528 105 105 GLU N N 121.166 0.000 1 529 106 106 GLY H H 8.489 0.002 1 530 106 106 GLY HA2 H 3.926 0.000 1 531 106 106 GLY HA3 H 3.926 0.000 1 532 106 106 GLY C C 173.398 0.003 1 533 106 106 GLY CA C 44.979 0.000 1 534 106 106 GLY N N 110.190 0.000 1 535 107 107 ALA H H 8.178 0.000 1 536 107 107 ALA N N 124.891 0.000 1 537 108 108 PRO HA H 4.418 0.000 1 538 108 108 PRO C C 177.096 0.000 1 539 108 108 PRO CA C 63.158 0.020 1 540 109 109 GLN H H 8.615 0.002 1 541 109 109 GLN HA H 4.283 0.000 1 542 109 109 GLN C C 176.055 0.002 1 543 109 109 GLN CA C 55.752 0.000 1 544 109 109 GLN N N 120.870 0.000 1 545 110 110 GLU H H 8.518 0.003 1 546 110 110 GLU HA H 4.364 0.000 1 547 110 110 GLU C C 176.565 0.005 1 548 110 110 GLU CA C 56.119 0.000 1 549 110 110 GLU N N 121.888 0.000 1 550 111 111 GLY H H 8.524 0.002 1 551 111 111 GLY HA2 H 3.940 0.000 1 552 111 111 GLY HA3 H 3.940 0.000 1 553 111 111 GLY C C 174.019 0.001 1 554 111 111 GLY CA C 45.319 0.000 1 555 111 111 GLY N N 110.241 0.000 1 556 112 112 ILE H H 8.034 0.002 1 557 112 112 ILE HA H 4.160 0.003 1 558 112 112 ILE C C 176.475 0.001 1 559 112 112 ILE CA C 61.218 0.005 1 560 112 112 ILE N N 119.964 0.000 1 561 113 113 LEU H H 8.405 0.002 1 562 113 113 LEU HA H 4.353 0.006 1 563 113 113 LEU C C 177.306 0.000 1 564 113 113 LEU CA C 55.258 0.009 1 565 113 113 LEU N N 126.018 0.000 1 566 114 114 GLU H H 8.366 0.009 1 567 114 114 GLU HA H 4.323 0.000 1 568 114 114 GLU C C 175.629 0.003 1 569 114 114 GLU CA C 55.824 0.000 1 570 114 114 GLU N N 121.006 0.000 1 571 115 115 ASP H H 8.447 0.001 1 572 115 115 ASP HA H 4.670 0.000 1 573 115 115 ASP C C 174.990 0.000 1 574 115 115 ASP CA C 53.248 0.007 1 575 115 115 ASP N N 119.995 0.000 1 576 116 116 MET H H 8.264 0.002 1 577 116 116 MET N N 121.845 0.000 1 578 117 117 PRO HA H 4.444 0.005 1 579 117 117 PRO C C 176.733 0.000 1 580 117 117 PRO CA C 62.901 0.014 1 581 118 118 VAL H H 8.348 0.003 1 582 118 118 VAL HA H 4.026 0.000 1 583 118 118 VAL C C 175.757 0.004 1 584 118 118 VAL CA C 62.183 0.000 1 585 118 118 VAL N N 120.758 0.000 1 586 119 119 ASP H H 8.637 0.003 1 587 119 119 ASP N N 124.621 0.000 1 588 120 120 PRO HA H 4.352 0.006 1 589 120 120 PRO C C 176.942 0.004 1 590 120 120 PRO CA C 63.591 0.074 1 591 121 121 ASP H H 8.412 0.002 1 592 121 121 ASP HA H 4.693 0.000 1 593 121 121 ASP C C 175.428 0.004 1 594 121 121 ASP CA C 53.639 0.000 1 595 121 121 ASP N N 117.965 0.000 1 596 122 122 ASN H H 8.196 0.001 1 597 122 122 ASN HA H 4.685 0.000 1 598 122 122 ASN C C 175.442 0.000 1 599 122 122 ASN CA C 53.413 0.021 1 600 122 122 ASN N N 118.858 0.000 1 601 123 123 GLU H H 8.308 0.000 1 602 123 123 GLU HA H 4.267 0.000 1 603 123 123 GLU C C 176.014 0.004 1 604 123 123 GLU CA C 56.258 0.000 1 605 123 123 GLU N N 120.734 0.000 1 606 124 124 ALA H H 8.292 0.001 1 607 124 124 ALA HA H 4.225 0.000 1 608 124 124 ALA C C 177.505 0.001 1 609 124 124 ALA CA C 52.763 0.000 1 610 124 124 ALA N N 123.964 0.000 1 611 125 125 TYR H H 8.015 0.003 1 612 125 125 TYR HA H 4.509 0.004 1 613 125 125 TYR C C 175.495 0.003 1 614 125 125 TYR CA C 57.841 0.030 1 615 125 125 TYR N N 118.667 0.000 1 616 126 126 GLU H H 8.031 0.002 1 617 126 126 GLU HA H 4.310 0.006 1 618 126 126 GLU C C 175.223 0.004 1 619 126 126 GLU CA C 55.147 0.005 1 620 126 126 GLU N N 122.245 0.000 1 621 127 127 MET H H 8.340 0.004 1 622 127 127 MET N N 122.906 0.000 1 623 128 128 PRO HA H 4.357 0.001 1 624 128 128 PRO C C 177.100 0.008 1 625 128 128 PRO CA C 63.497 0.020 1 626 129 129 SER H H 8.429 0.003 1 627 129 129 SER HA H 4.366 0.008 1 628 129 129 SER C C 174.955 0.011 1 629 129 129 SER CA C 58.547 0.019 1 630 129 129 SER N N 115.534 0.000 1 631 130 130 GLU H H 8.450 0.000 1 632 130 130 GLU HA H 4.364 0.000 1 633 130 130 GLU C C 176.195 0.001 1 634 130 130 GLU CA C 56.043 0.000 1 635 130 130 GLU N N 122.158 0.000 1 636 131 131 GLU H H 8.366 0.001 1 637 131 131 GLU HA H 4.285 0.000 1 638 131 131 GLU C C 176.603 0.001 1 639 131 131 GLU CA C 56.323 0.000 1 640 131 131 GLU N N 120.884 0.000 1 641 132 132 GLY H H 8.433 0.002 1 642 132 132 GLY HA2 H 3.880 0.000 1 643 132 132 GLY HA3 H 3.880 0.000 1 644 132 132 GLY C C 174.005 0.001 1 645 132 132 GLY CA C 45.233 0.000 1 646 132 132 GLY N N 109.879 0.000 1 647 133 133 TYR H H 8.083 0.001 1 648 133 133 TYR HA H 4.505 0.006 1 649 133 133 TYR C C 175.893 0.002 1 650 133 133 TYR CA C 58.212 0.051 1 651 133 133 TYR N N 120.206 0.000 1 652 134 134 GLN H H 8.324 0.002 1 653 134 134 GLN HA H 4.204 0.005 1 654 134 134 GLN C C 175.072 0.002 1 655 134 134 GLN CA C 55.611 0.024 1 656 134 134 GLN N N 122.194 0.000 1 657 135 135 ASP H H 8.344 0.002 1 658 135 135 ASP HA H 4.601 0.005 1 659 135 135 ASP C C 174.811 0.038 1 660 135 135 ASP CA C 53.236 0.052 1 661 135 135 ASP N N 120.269 0.000 1 662 136 136 TYR H H 8.158 0.001 1 663 136 136 TYR HA H 4.531 0.011 1 664 136 136 TYR C C 175.148 0.000 1 665 136 136 TYR CA C 57.870 0.039 1 666 136 136 TYR N N 121.119 0.000 1 667 137 137 GLU H H 8.147 0.000 1 668 137 137 GLU N N 124.238 0.000 1 669 138 138 PRO HA H 4.335 0.002 1 670 138 138 PRO C C 176.799 0.000 1 671 138 138 PRO CA C 62.922 0.041 1 672 139 139 GLU H H 8.501 0.001 1 673 139 139 GLU HA H 4.303 0.000 1 674 139 139 GLU C C 175.358 0.007 1 675 139 139 GLU CA C 55.740 0.000 1 676 139 139 GLU N N 120.946 0.000 1 677 140 140 ALA H H 8.278 0.001 1 678 140 140 ALA HA H 4.198 0.006 1 679 140 140 ALA C C 172.842 0.000 1 680 140 140 ALA CA C 52.799 0.000 1 681 140 140 ALA N N 129.351 0.000 1 stop_ save_ save_assigned_chem_shif_list_10 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_4.00 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.130 0.004 1 2 1 1 MET C C 171.864 0.000 1 3 1 1 MET CA C 54.954 0.021 1 4 2 2 ASP H H 8.878 0.000 1 5 2 2 ASP HA H 4.729 0.000 1 6 2 2 ASP C C 175.598 0.000 1 7 2 2 ASP CA C 53.906 0.022 1 8 2 2 ASP N N 124.570 0.000 1 9 3 3 VAL H H 8.360 0.000 1 10 3 3 VAL HA H 4.025 0.000 1 11 3 3 VAL C C 175.904 0.000 1 12 3 3 VAL CA C 62.551 0.000 1 13 3 3 VAL N N 120.914 0.000 1 14 4 4 PHE H H 8.427 0.001 1 15 4 4 PHE HA H 4.603 0.004 1 16 4 4 PHE C C 175.817 0.002 1 17 4 4 PHE CA C 57.899 0.052 1 18 4 4 PHE N N 123.911 0.000 1 19 5 5 MET H H 8.292 0.000 1 20 5 5 MET HA H 4.393 0.000 1 21 5 5 MET C C 175.919 0.006 1 22 5 5 MET CA C 55.219 0.050 1 23 5 5 MET N N 122.689 0.000 1 24 6 6 LYS H H 8.357 0.002 1 25 6 6 LYS HA H 4.198 0.003 1 26 6 6 LYS C C 177.178 0.004 1 27 6 6 LYS CA C 56.898 0.024 1 28 6 6 LYS N N 122.958 0.000 1 29 7 7 GLY H H 8.490 0.000 1 30 7 7 GLY HA2 H 3.936 0.000 1 31 7 7 GLY HA3 H 3.936 0.000 1 32 7 7 GLY C C 174.193 0.004 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.053 0.000 1 35 8 8 LEU H H 8.138 0.000 1 36 8 8 LEU HA H 4.382 0.001 1 37 8 8 LEU C C 177.704 0.002 1 38 8 8 LEU CA C 55.152 0.011 1 39 8 8 LEU N N 121.701 0.000 1 40 9 9 SER H H 8.399 0.001 1 41 9 9 SER HA H 4.406 0.003 1 42 9 9 SER C C 174.661 0.003 1 43 9 9 SER CA C 58.380 0.044 1 44 9 9 SER N N 116.943 0.000 1 45 10 10 LYS H H 8.468 0.000 1 46 10 10 LYS HA H 4.365 0.000 1 47 10 10 LYS C C 176.743 0.001 1 48 10 10 LYS CA C 56.489 0.000 1 49 10 10 LYS N N 123.860 0.000 1 50 11 11 ALA H H 8.365 0.001 1 51 11 11 ALA HA H 4.242 0.000 1 52 11 11 ALA C C 178.040 0.000 1 53 11 11 ALA CA C 52.816 0.000 1 54 11 11 ALA N N 125.260 0.000 1 55 12 12 LYS H H 8.404 0.003 1 56 12 12 LYS HA H 4.255 0.000 1 57 12 12 LYS C C 176.802 0.001 1 58 12 12 LYS CA C 56.463 0.000 1 59 12 12 LYS N N 120.984 0.000 1 60 13 13 GLU H H 8.476 0.000 1 61 13 13 GLU C C 176.903 0.000 1 62 13 13 GLU CA C 56.373 0.000 1 63 13 13 GLU N N 122.025 0.000 1 64 14 14 GLY H H 8.529 0.003 1 65 14 14 GLY C C 174.080 0.000 1 66 14 14 GLY CA C 45.256 0.000 1 67 14 14 GLY N N 110.306 0.000 1 68 15 15 VAL H H 8.066 0.001 1 69 15 15 VAL HA H 4.074 0.000 1 70 15 15 VAL C C 176.671 0.031 1 71 15 15 VAL CA C 62.730 0.000 1 72 15 15 VAL N N 120.359 0.000 1 73 16 16 VAL H H 8.367 0.000 1 74 16 16 VAL C C 176.171 0.000 1 75 16 16 VAL CA C 62.644 0.000 1 76 16 16 VAL N N 125.496 0.000 1 77 17 17 ALA H H 8.518 0.002 1 78 17 17 ALA HA H 4.259 0.000 1 79 17 17 ALA C C 177.880 0.002 1 80 17 17 ALA CA C 52.729 0.000 1 81 17 17 ALA N N 128.476 0.000 1 82 18 18 ALA H H 8.380 0.003 1 83 18 18 ALA HA H 4.225 0.000 1 84 18 18 ALA C C 178.033 0.004 1 85 18 18 ALA CA C 52.784 0.000 1 86 18 18 ALA N N 123.673 0.000 1 87 19 19 ALA H H 8.328 0.002 1 88 19 19 ALA HA H 4.258 0.000 1 89 19 19 ALA C C 178.283 0.005 1 90 19 19 ALA CA C 52.800 0.000 1 91 19 19 ALA N N 123.114 0.000 1 92 20 20 GLU H H 8.356 0.001 1 93 20 20 GLU C C 176.763 0.000 1 94 20 20 GLU CA C 56.385 0.000 1 95 20 20 GLU N N 119.938 0.000 1 96 21 21 LYS H H 8.407 0.000 1 97 21 21 LYS HA H 4.331 0.000 1 98 21 21 LYS C C 177.201 0.002 1 99 21 21 LYS CA C 56.768 0.000 1 100 21 21 LYS N N 122.525 0.000 1 101 22 22 THR H H 8.213 0.001 1 102 22 22 THR HA H 4.279 0.000 1 103 22 22 THR C C 174.740 0.001 1 104 22 22 THR CA C 62.222 0.000 1 105 22 22 THR N N 115.595 0.000 1 106 23 23 LYS H H 8.449 0.001 1 107 23 23 LYS HA H 4.290 0.000 1 108 23 23 LYS C C 176.767 0.000 1 109 23 23 LYS CA C 56.765 0.000 1 110 23 23 LYS N N 123.970 0.000 1 111 24 24 GLN H H 8.513 0.001 1 112 24 24 GLN HA H 4.300 0.000 1 113 24 24 GLN C C 176.680 0.000 1 114 24 24 GLN CA C 56.247 0.000 1 115 24 24 GLN N N 121.907 0.000 1 116 25 25 GLY H H 8.537 0.000 1 117 25 25 GLY HA2 H 3.990 0.000 1 118 25 25 GLY HA3 H 3.990 0.000 1 119 25 25 GLY C C 174.320 0.003 1 120 25 25 GLY CA C 45.337 0.000 1 121 25 25 GLY N N 110.635 0.000 1 122 26 26 VAL H H 8.094 0.002 1 123 26 26 VAL HA H 4.070 0.000 1 124 26 26 VAL C C 176.437 0.009 1 125 26 26 VAL CA C 62.592 0.000 1 126 26 26 VAL N N 120.021 0.000 1 127 27 27 ALA H H 8.493 0.001 1 128 27 27 ALA HA H 4.285 0.000 1 129 27 27 ALA C C 178.174 0.002 1 130 27 27 ALA CA C 52.837 0.000 1 131 27 27 ALA N N 127.540 0.000 1 132 28 28 GLU H H 8.436 0.001 1 133 28 28 GLU HA H 4.250 0.000 1 134 28 28 GLU C C 176.471 0.003 1 135 28 28 GLU CA C 56.319 0.000 1 136 28 28 GLU N N 120.436 0.000 1 137 29 29 ALA H H 8.381 0.002 1 138 29 29 ALA HA H 4.259 0.000 1 139 29 29 ALA C C 177.774 0.001 1 140 29 29 ALA CA C 52.657 0.000 1 141 29 29 ALA N N 125.250 0.000 1 142 30 30 ALA H H 8.335 0.001 1 143 30 30 ALA HA H 4.285 0.000 1 144 30 30 ALA C C 178.557 0.000 1 145 30 30 ALA CA C 52.807 0.000 1 146 30 30 ALA N N 123.308 0.000 1 147 31 31 GLY H H 8.397 0.000 1 148 31 31 GLY HA2 H 3.917 0.000 1 149 31 31 GLY HA3 H 3.917 0.000 1 150 31 31 GLY C C 174.287 0.003 1 151 31 31 GLY CA C 45.289 0.000 1 152 31 31 GLY N N 107.937 0.000 1 153 32 32 LYS H H 8.204 0.001 1 154 32 32 LYS HA H 4.410 0.001 1 155 32 32 LYS C C 177.097 0.003 1 156 32 32 LYS CA C 56.279 0.002 1 157 32 32 LYS N N 120.807 0.000 1 158 33 33 THR H H 8.284 0.001 1 159 33 33 THR HA H 4.323 0.000 1 160 33 33 THR C C 174.670 0.001 1 161 33 33 THR CA C 62.023 0.000 1 162 33 33 THR N N 115.763 0.000 1 163 34 34 LYS H H 8.537 0.001 1 164 34 34 LYS C C 176.552 0.000 1 165 34 34 LYS CA C 56.498 0.000 1 166 34 34 LYS N N 124.095 0.000 1 167 35 35 GLU H H 8.493 0.000 1 168 35 35 GLU HA H 4.338 0.000 1 169 35 35 GLU C C 176.770 0.002 1 170 35 35 GLU CA C 56.224 0.000 1 171 35 35 GLU N N 121.993 0.000 1 172 36 36 GLY H H 8.516 0.002 1 173 36 36 GLY HA2 H 3.956 0.000 1 174 36 36 GLY HA3 H 3.956 0.000 1 175 36 36 GLY C C 173.988 0.001 1 176 36 36 GLY CA C 45.196 0.000 1 177 36 36 GLY N N 110.321 0.000 1 178 37 37 VAL H H 8.025 0.002 1 179 37 37 VAL HA H 4.054 0.000 1 180 37 37 VAL C C 176.029 0.001 1 181 37 37 VAL CA C 62.377 0.000 1 182 37 37 VAL N N 119.710 0.000 1 183 38 38 LEU H H 8.363 0.000 1 184 38 38 LEU HA H 4.344 0.003 1 185 38 38 LEU C C 176.629 0.002 1 186 38 38 LEU CA C 54.938 0.018 1 187 38 38 LEU N N 126.047 0.000 1 188 39 39 TYR H H 8.358 0.001 1 189 39 39 TYR HA H 4.572 0.002 1 190 39 39 TYR C C 175.625 0.002 1 191 39 39 TYR CA C 57.947 0.038 1 192 39 39 TYR N N 122.752 0.000 1 193 40 40 VAL H H 8.147 0.002 1 194 40 40 VAL HA H 4.047 0.000 1 195 40 40 VAL C C 176.164 0.001 1 196 40 40 VAL CA C 62.186 0.000 1 197 40 40 VAL N N 123.774 0.000 1 198 41 41 GLY H H 8.097 0.001 1 199 41 41 GLY HA2 H 3.929 0.000 1 200 41 41 GLY HA3 H 3.929 0.000 1 201 41 41 GLY C C 173.987 0.002 1 202 41 41 GLY CA C 45.149 0.000 1 203 41 41 GLY N N 112.291 0.000 1 204 42 42 SER H H 8.326 0.000 1 205 42 42 SER HA H 4.436 0.005 1 206 42 42 SER C C 174.904 0.001 1 207 42 42 SER CA C 58.359 0.031 1 208 42 42 SER N N 115.673 0.000 1 209 43 43 LYS H H 8.575 0.001 1 210 43 43 LYS HA H 4.407 0.001 1 211 43 43 LYS C C 176.955 0.002 1 212 43 43 LYS CA C 56.457 0.035 1 213 43 43 LYS N N 123.630 0.000 1 214 44 44 THR H H 8.228 0.001 1 215 44 44 THR HA H 4.297 0.000 1 216 44 44 THR C C 174.587 0.001 1 217 44 44 THR CA C 62.056 0.000 1 218 44 44 THR N N 115.680 0.000 1 219 45 45 LYS H H 8.495 0.001 1 220 45 45 LYS HA H 4.296 0.000 1 221 45 45 LYS C C 176.551 0.001 1 222 45 45 LYS CA C 56.462 0.000 1 223 45 45 LYS N N 124.112 0.000 1 224 46 46 GLU H H 8.500 0.001 1 225 46 46 GLU HA H 4.338 0.000 1 226 46 46 GLU C C 176.768 0.002 1 227 46 46 GLU CA C 56.219 0.000 1 228 46 46 GLU N N 122.143 0.000 1 229 47 47 GLY H H 8.515 0.002 1 230 47 47 GLY HA2 H 3.912 0.000 1 231 47 47 GLY HA3 H 3.912 0.000 1 232 47 47 GLY C C 173.850 0.001 1 233 47 47 GLY CA C 45.164 0.000 1 234 47 47 GLY N N 110.310 0.000 1 235 48 48 VAL H H 8.040 0.001 1 236 48 48 VAL HA H 4.086 0.000 1 237 48 48 VAL C C 176.185 0.002 1 238 48 48 VAL CA C 62.273 0.000 1 239 48 48 VAL N N 120.003 0.000 1 240 49 49 VAL H H 8.384 0.004 1 241 49 49 VAL HA H 4.059 0.000 1 242 49 49 VAL C C 175.993 0.001 1 243 49 49 VAL CA C 62.266 0.000 1 244 49 49 VAL N N 125.250 0.000 1 245 50 50 HIS H H 8.802 0.001 1 246 50 50 HIS HA H 4.732 0.004 1 247 50 50 HIS C C 174.729 0.005 1 248 50 50 HIS CA C 55.118 0.026 1 249 50 50 HIS N N 123.544 0.000 1 250 51 51 GLY H H 8.560 0.001 1 251 51 51 GLY HA2 H 3.995 0.000 1 252 51 51 GLY HA3 H 3.995 0.000 1 253 51 51 GLY C C 173.742 0.002 1 254 51 51 GLY CA C 45.055 0.000 1 255 51 51 GLY N N 110.774 0.000 1 256 52 52 VAL H H 8.197 0.000 1 257 52 52 VAL HA H 4.148 0.003 1 258 52 52 VAL C C 176.009 0.001 1 259 52 52 VAL CA C 61.980 0.034 1 260 52 52 VAL N N 119.807 0.000 1 261 53 53 ALA H H 8.588 0.001 1 262 53 53 ALA HA H 4.409 0.002 1 263 53 53 ALA C C 177.902 0.003 1 264 53 53 ALA CA C 52.410 0.013 1 265 53 53 ALA N N 128.523 0.000 1 266 54 54 THR H H 8.298 0.002 1 267 54 54 THR HA H 4.309 0.000 1 268 54 54 THR C C 174.628 0.006 1 269 54 54 THR CA C 61.849 0.000 1 270 54 54 THR N N 115.083 0.000 1 271 55 55 VAL H H 8.336 0.001 1 272 55 55 VAL C C 176.004 0.000 1 273 55 55 VAL CA C 62.515 0.000 1 274 55 55 VAL N N 123.308 0.000 1 275 56 56 ALA H H 8.511 0.000 1 276 56 56 ALA HA H 4.280 0.000 1 277 56 56 ALA C C 177.915 0.002 1 278 56 56 ALA CA C 52.628 0.000 1 279 56 56 ALA N N 128.098 0.000 1 280 57 57 GLU H H 8.410 0.002 1 281 57 57 GLU C C 176.615 0.000 1 282 57 57 GLU CA C 56.215 0.000 1 283 57 57 GLU N N 120.721 0.000 1 284 58 58 LYS H H 8.518 0.002 1 285 58 58 LYS HA H 4.336 0.000 1 286 58 58 LYS C C 177.089 0.004 1 287 58 58 LYS CA C 56.672 0.000 1 288 58 58 LYS N N 122.945 0.000 1 289 59 59 THR H H 8.261 0.001 1 290 59 59 THR HA H 4.269 0.000 1 291 59 59 THR C C 174.665 0.002 1 292 59 59 THR CA C 62.276 0.000 1 293 59 59 THR N N 116.006 0.000 1 294 60 60 LYS H H 8.446 0.001 1 295 60 60 LYS HA H 4.290 0.000 1 296 60 60 LYS C C 176.727 0.001 1 297 60 60 LYS CA C 56.697 0.000 1 298 60 60 LYS N N 123.841 0.000 1 299 61 61 GLU H H 8.447 0.000 1 300 61 61 GLU C C 176.233 0.000 1 301 61 61 GLU CA C 56.239 0.000 1 302 61 61 GLU N N 121.926 0.000 1 303 62 62 GLN H H 8.490 0.000 1 304 62 62 GLN HA H 4.343 0.000 1 305 62 62 GLN C C 175.980 0.002 1 306 62 62 GLN CA C 55.828 0.000 1 307 62 62 GLN N N 122.232 0.000 1 308 63 63 VAL H H 8.370 0.001 1 309 63 63 VAL HA H 4.191 0.002 1 310 63 63 VAL C C 176.395 0.000 1 311 63 63 VAL CA C 62.349 0.037 1 312 63 63 VAL N N 122.137 0.000 1 313 64 64 THR H H 8.382 0.002 1 314 64 64 THR HA H 4.367 0.000 1 315 64 64 THR C C 174.068 0.004 1 316 64 64 THR CA C 61.782 0.000 1 317 64 64 THR N N 118.354 0.000 1 318 65 65 ASN H H 8.602 0.002 1 319 65 65 ASN HA H 4.778 0.000 1 320 65 65 ASN C C 175.301 0.000 1 321 65 65 ASN CA C 53.087 0.021 1 322 65 65 ASN N N 121.992 0.000 1 323 66 66 VAL H H 8.328 0.002 1 324 66 66 VAL HA H 4.119 0.003 1 325 66 66 VAL C C 176.920 0.001 1 326 66 66 VAL CA C 62.664 0.035 1 327 66 66 VAL N N 120.928 0.000 1 328 67 67 GLY H H 8.634 0.000 1 329 67 67 GLY HA2 H 3.967 0.000 1 330 67 67 GLY HA3 H 3.967 0.000 1 331 67 67 GLY C C 174.694 0.001 1 332 67 67 GLY CA C 45.334 0.000 1 333 67 67 GLY N N 112.822 0.000 1 334 68 68 GLY H H 8.304 0.001 1 335 68 68 GLY HA2 H 3.941 0.000 1 336 68 68 GLY HA3 H 3.941 0.000 1 337 68 68 GLY C C 173.755 0.007 1 338 68 68 GLY CA C 45.012 0.000 1 339 68 68 GLY N N 108.923 0.000 1 340 69 69 ALA H H 8.239 0.000 1 341 69 69 ALA HA H 4.348 0.004 1 342 69 69 ALA C C 177.716 0.003 1 343 69 69 ALA CA C 52.286 0.010 1 344 69 69 ALA N N 123.876 0.000 1 345 70 70 VAL H H 8.306 0.001 1 346 70 70 VAL HA H 4.087 0.000 1 347 70 70 VAL C C 176.399 0.001 1 348 70 70 VAL CA C 62.427 0.000 1 349 70 70 VAL N N 120.783 0.000 1 350 71 71 VAL H H 8.489 0.002 1 351 71 71 VAL HA H 4.216 0.002 1 352 71 71 VAL C C 176.341 0.001 1 353 71 71 VAL CA C 62.122 0.022 1 354 71 71 VAL N N 125.798 0.000 1 355 72 72 THR H H 8.395 0.001 1 356 72 72 THR HA H 4.364 0.000 1 357 72 72 THR C C 174.942 0.000 1 358 72 72 THR CA C 61.890 0.000 1 359 72 72 THR N N 118.978 0.000 1 360 73 73 GLY H H 8.513 0.000 1 361 73 73 GLY HA2 H 3.988 0.000 1 362 73 73 GLY HA3 H 3.988 0.000 1 363 73 73 GLY C C 174.041 0.003 1 364 73 73 GLY CA C 45.211 0.000 1 365 73 73 GLY N N 111.500 0.000 1 366 74 74 VAL H H 8.166 0.001 1 367 74 74 VAL HA H 4.188 0.005 1 368 74 74 VAL C C 176.625 0.002 1 369 74 74 VAL CA C 62.328 0.016 1 370 74 74 VAL N N 119.701 0.000 1 371 75 75 THR H H 8.385 0.001 1 372 75 75 THR HA H 4.310 0.000 1 373 75 75 THR C C 174.117 0.004 1 374 75 75 THR CA C 61.980 0.000 1 375 75 75 THR N N 119.297 0.000 1 376 76 76 ALA H H 8.460 0.001 1 377 76 76 ALA HA H 4.335 0.003 1 378 76 76 ALA C C 177.646 0.002 1 379 76 76 ALA CA C 52.466 0.008 1 380 76 76 ALA N N 127.621 0.000 1 381 77 77 VAL H H 8.235 0.001 1 382 77 77 VAL HA H 4.038 0.000 1 383 77 77 VAL C C 176.099 0.002 1 384 77 77 VAL CA C 62.267 0.000 1 385 77 77 VAL N N 120.352 0.000 1 386 78 78 ALA H H 8.494 0.002 1 387 78 78 ALA HA H 4.281 0.000 1 388 78 78 ALA C C 177.729 0.001 1 389 78 78 ALA CA C 52.518 0.000 1 390 78 78 ALA N N 128.406 0.000 1 391 79 79 GLN H H 8.478 0.001 1 392 79 79 GLN HA H 4.283 0.000 1 393 79 79 GLN C C 176.052 0.001 1 394 79 79 GLN CA C 55.696 0.000 1 395 79 79 GLN N N 120.506 0.000 1 396 80 80 LYS H H 8.516 0.001 1 397 80 80 LYS HA H 4.364 0.000 1 398 80 80 LYS C C 176.744 0.005 1 399 80 80 LYS CA C 56.419 0.000 1 400 80 80 LYS N N 123.407 0.000 1 401 81 81 THR H H 8.352 0.002 1 402 81 81 THR HA H 4.336 0.000 1 403 81 81 THR C C 174.458 0.002 1 404 81 81 THR CA C 61.987 0.000 1 405 81 81 THR N N 117.066 0.000 1 406 82 82 VAL H H 8.394 0.001 1 407 82 82 VAL HA H 4.103 0.000 1 408 82 82 VAL C C 176.176 0.005 1 409 82 82 VAL CA C 62.333 0.000 1 410 82 82 VAL N N 123.448 0.000 1 411 83 83 GLU H H 8.616 0.000 1 412 83 83 GLU HA H 4.357 0.000 1 413 83 83 GLU C C 176.769 0.002 1 414 83 83 GLU CA C 56.264 0.000 1 415 83 83 GLU N N 125.141 0.000 1 416 84 84 GLY H H 8.591 0.000 1 417 84 84 GLY HA2 H 3.953 0.000 1 418 84 84 GLY HA3 H 3.953 0.000 1 419 84 84 GLY C C 174.103 0.006 1 420 84 84 GLY CA C 45.207 0.000 1 421 84 84 GLY N N 110.909 0.000 1 422 85 85 ALA H H 8.364 0.001 1 423 85 85 ALA HA H 4.304 0.000 1 424 85 85 ALA C C 178.582 0.000 1 425 85 85 ALA CA C 52.924 0.000 1 426 85 85 ALA N N 124.099 0.000 1 427 86 86 GLY H H 8.581 0.002 1 428 86 86 GLY HA2 H 3.965 0.000 1 429 86 86 GLY HA3 H 3.965 0.000 1 430 86 86 GLY C C 174.339 0.006 1 431 86 86 GLY CA C 45.227 0.000 1 432 86 86 GLY N N 108.362 0.000 1 433 87 87 SER H H 8.213 0.001 1 434 87 87 SER HA H 4.458 0.001 1 435 87 87 SER C C 174.738 0.001 1 436 87 87 SER CA C 58.386 0.035 1 437 87 87 SER N N 115.815 0.000 1 438 88 88 ILE H H 8.267 0.000 1 439 88 88 ILE HA H 4.162 0.003 1 440 88 88 ILE C C 176.339 0.002 1 441 88 88 ILE CA C 61.261 0.066 1 442 88 88 ILE N N 122.933 0.000 1 443 89 89 ALA H H 8.426 0.001 1 444 89 89 ALA HA H 4.243 0.000 1 445 89 89 ALA C C 177.628 0.001 1 446 89 89 ALA CA C 52.615 0.000 1 447 89 89 ALA N N 128.259 0.000 1 448 90 90 ALA H H 8.289 0.001 1 449 90 90 ALA HA H 4.240 0.000 1 450 90 90 ALA C C 177.793 0.004 1 451 90 90 ALA CA C 52.449 0.000 1 452 90 90 ALA N N 123.506 0.000 1 453 91 91 ALA H H 8.367 0.002 1 454 91 91 ALA HA H 4.349 0.002 1 455 91 91 ALA C C 178.197 0.002 1 456 91 91 ALA CA C 52.611 0.028 1 457 91 91 ALA N N 123.627 0.000 1 458 92 92 THR H H 8.170 0.000 1 459 92 92 THR HA H 4.295 0.000 1 460 92 92 THR C C 175.215 0.004 1 461 92 92 THR CA C 62.035 0.000 1 462 92 92 THR N N 112.822 0.000 1 463 93 93 GLY H H 8.374 0.000 1 464 93 93 GLY HA2 H 3.906 0.000 1 465 93 93 GLY HA3 H 3.906 0.000 1 466 93 93 GLY C C 173.673 0.002 1 467 93 93 GLY CA C 45.161 0.000 1 468 93 93 GLY N N 110.782 0.000 1 469 94 94 PHE H H 8.161 0.000 1 470 94 94 PHE HA H 4.607 0.000 1 471 94 94 PHE C C 175.562 0.001 1 472 94 94 PHE CA C 57.840 0.007 1 473 94 94 PHE N N 120.427 0.000 1 474 95 95 VAL H H 8.124 0.000 1 475 95 95 VAL HA H 4.006 0.000 1 476 95 95 VAL C C 175.496 0.005 1 477 95 95 VAL CA C 62.062 0.000 1 478 95 95 VAL N N 123.871 0.000 1 479 96 96 LYS H H 8.465 0.001 1 480 96 96 LYS HA H 4.215 0.001 1 481 96 96 LYS C C 176.524 0.003 1 482 96 96 LYS CA C 56.423 0.032 1 483 96 96 LYS N N 126.506 0.000 1 484 97 97 LYS H H 8.524 0.001 1 485 97 97 LYS HA H 4.271 0.000 1 486 97 97 LYS C C 176.458 0.003 1 487 97 97 LYS CA C 56.502 0.000 1 488 97 97 LYS N N 123.675 0.000 1 489 98 98 ASP H H 8.517 0.000 1 490 98 98 ASP HA H 4.593 0.005 1 491 98 98 ASP C C 175.990 0.005 1 492 98 98 ASP CA C 53.962 0.019 1 493 98 98 ASP N N 121.009 0.000 1 494 99 99 GLN H H 8.442 0.001 1 495 99 99 GLN HA H 4.302 0.000 1 496 99 99 GLN C C 176.075 0.001 1 497 99 99 GLN CA C 55.918 0.000 1 498 99 99 GLN N N 120.486 0.000 1 499 100 100 LEU H H 8.336 0.001 1 500 100 100 LEU HA H 4.336 0.002 1 501 100 100 LEU C C 178.015 0.006 1 502 100 100 LEU CA C 55.335 0.055 1 503 100 100 LEU N N 122.842 0.000 1 504 101 101 GLY H H 8.496 0.001 1 505 101 101 GLY HA2 H 3.935 0.000 1 506 101 101 GLY HA3 H 3.935 0.000 1 507 101 101 GLY C C 174.221 0.002 1 508 101 101 GLY CA C 45.321 0.000 1 509 101 101 GLY N N 109.745 0.000 1 510 102 102 LYS H H 8.269 0.001 1 511 102 102 LYS HA H 4.300 0.000 1 512 102 102 LYS C C 176.581 0.004 1 513 102 102 LYS CA C 56.323 0.000 1 514 102 102 LYS N N 120.848 0.000 1 515 103 103 ASN H H 8.665 0.000 1 516 103 103 ASN HA H 4.693 0.002 1 517 103 103 ASN C C 175.397 0.005 1 518 103 103 ASN CA C 53.394 0.013 1 519 103 103 ASN N N 119.669 0.000 1 520 104 104 GLU H H 8.460 0.001 1 521 104 104 GLU HA H 4.337 0.000 1 522 104 104 GLU C C 176.270 0.004 1 523 104 104 GLU CA C 56.173 0.000 1 524 104 104 GLU N N 120.936 0.000 1 525 105 105 GLU H H 8.470 0.001 1 526 105 105 GLU C C 176.704 0.000 1 527 105 105 GLU CA C 56.324 0.000 1 528 105 105 GLU N N 121.264 0.000 1 529 106 106 GLY H H 8.491 0.001 1 530 106 106 GLY HA2 H 3.926 0.000 1 531 106 106 GLY HA3 H 3.926 0.000 1 532 106 106 GLY C C 173.413 0.002 1 533 106 106 GLY CA C 44.993 0.000 1 534 106 106 GLY N N 110.053 0.000 1 535 107 107 ALA H H 8.179 0.001 1 536 107 107 ALA N N 124.905 0.000 1 537 108 108 PRO HA H 4.419 0.003 1 538 108 108 PRO C C 177.098 0.002 1 539 108 108 PRO CA C 63.157 0.032 1 540 109 109 GLN H H 8.621 0.000 1 541 109 109 GLN HA H 4.283 0.000 1 542 109 109 GLN C C 176.048 0.005 1 543 109 109 GLN CA C 55.752 0.000 1 544 109 109 GLN N N 120.928 0.000 1 545 110 110 GLU H H 8.532 0.000 1 546 110 110 GLU HA H 4.336 0.000 1 547 110 110 GLU C C 176.620 0.001 1 548 110 110 GLU CA C 56.198 0.000 1 549 110 110 GLU N N 121.928 0.000 1 550 111 111 GLY H H 8.525 0.002 1 551 111 111 GLY HA2 H 3.941 0.000 1 552 111 111 GLY HA3 H 3.941 0.000 1 553 111 111 GLY C C 174.004 0.002 1 554 111 111 GLY CA C 45.319 0.000 1 555 111 111 GLY N N 110.241 0.000 1 556 112 112 ILE H H 8.032 0.002 1 557 112 112 ILE HA H 4.163 0.001 1 558 112 112 ILE C C 176.442 0.007 1 559 112 112 ILE CA C 61.205 0.010 1 560 112 112 ILE N N 120.004 0.000 1 561 113 113 LEU H H 8.417 0.001 1 562 113 113 LEU HA H 4.358 0.001 1 563 113 113 LEU C C 177.297 0.000 1 564 113 113 LEU CA C 55.224 0.015 1 565 113 113 LEU N N 126.155 0.000 1 566 114 114 GLU H H 8.394 0.002 1 567 114 114 GLU HA H 4.316 0.000 1 568 114 114 GLU C C 175.651 0.003 1 569 114 114 GLU CA C 55.920 0.000 1 570 114 114 GLU N N 121.179 0.000 1 571 115 115 ASP H H 8.445 0.001 1 572 115 115 ASP HA H 4.647 0.000 1 573 115 115 ASP C C 175.127 0.000 1 574 115 115 ASP CA C 53.407 0.022 1 575 115 115 ASP N N 120.217 0.000 1 576 116 116 MET H H 8.267 0.001 1 577 116 116 MET N N 121.855 0.000 1 578 117 117 PRO HA H 4.448 0.003 1 579 117 117 PRO C C 176.725 0.004 1 580 117 117 PRO CA C 62.906 0.032 1 581 118 118 VAL H H 8.350 0.001 1 582 118 118 VAL HA H 4.033 0.000 1 583 118 118 VAL C C 175.766 0.004 1 584 118 118 VAL CA C 62.192 0.000 1 585 118 118 VAL N N 120.845 0.000 1 586 119 119 ASP H H 8.629 0.002 1 587 119 119 ASP N N 124.892 0.000 1 588 120 120 PRO HA H 4.346 0.001 1 589 120 120 PRO C C 176.957 0.002 1 590 120 120 PRO CA C 63.657 0.041 1 591 121 121 ASP H H 8.421 0.002 1 592 121 121 ASP HA H 4.662 0.031 1 593 121 121 ASP C C 175.490 0.065 1 594 121 121 ASP CA C 53.803 0.019 1 595 121 121 ASP N N 118.124 0.000 1 596 122 122 ASN H H 8.188 0.001 1 597 122 122 ASN HA H 4.685 0.000 1 598 122 122 ASN C C 175.456 0.000 1 599 122 122 ASN CA C 53.410 0.019 1 600 122 122 ASN N N 118.919 0.000 1 601 123 123 GLU H H 8.327 0.002 1 602 123 123 GLU HA H 4.267 0.000 1 603 123 123 GLU C C 176.020 0.001 1 604 123 123 GLU CA C 56.274 0.000 1 605 123 123 GLU N N 120.798 0.000 1 606 124 124 ALA H H 8.293 0.001 1 607 124 124 ALA HA H 4.230 0.000 1 608 124 124 ALA C C 177.491 0.001 1 609 124 124 ALA CA C 52.772 0.000 1 610 124 124 ALA N N 123.981 0.000 1 611 125 125 TYR H H 8.020 0.000 1 612 125 125 TYR HA H 4.511 0.002 1 613 125 125 TYR C C 175.491 0.003 1 614 125 125 TYR CA C 57.835 0.024 1 615 125 125 TYR N N 118.775 0.000 1 616 126 126 GLU H H 8.045 0.001 1 617 126 126 GLU HA H 4.303 0.006 1 618 126 126 GLU C C 175.274 0.015 1 619 126 126 GLU CA C 55.190 0.011 1 620 126 126 GLU N N 122.365 0.000 1 621 127 127 MET H H 8.366 0.001 1 622 127 127 MET N N 122.998 0.000 1 623 128 128 PRO HA H 4.364 0.009 1 624 128 128 PRO C C 177.090 0.002 1 625 128 128 PRO CA C 63.407 0.037 1 626 129 129 SER H H 8.446 0.001 1 627 129 129 SER HA H 4.380 0.006 1 628 129 129 SER C C 174.958 0.006 1 629 129 129 SER CA C 58.501 0.015 1 630 129 129 SER N N 115.684 0.000 1 631 130 130 GLU H H 8.478 0.000 1 632 130 130 GLU HA H 4.357 0.000 1 633 130 130 GLU C C 176.240 0.002 1 634 130 130 GLU CA C 56.075 0.000 1 635 130 130 GLU N N 122.238 0.000 1 636 131 131 GLU H H 8.383 0.002 1 637 131 131 GLU HA H 4.285 0.000 1 638 131 131 GLU C C 176.641 0.001 1 639 131 131 GLU CA C 56.407 0.000 1 640 131 131 GLU N N 120.964 0.000 1 641 132 132 GLY H H 8.441 0.001 1 642 132 132 GLY HA2 H 3.880 0.000 1 643 132 132 GLY HA3 H 3.880 0.000 1 644 132 132 GLY C C 173.990 0.001 1 645 132 132 GLY CA C 45.223 0.000 1 646 132 132 GLY N N 109.914 0.000 1 647 133 133 TYR H H 8.091 0.002 1 648 133 133 TYR HA H 4.505 0.001 1 649 133 133 TYR C C 175.875 0.001 1 650 133 133 TYR CA C 58.191 0.023 1 651 133 133 TYR N N 120.239 0.000 1 652 134 134 GLN H H 8.319 0.001 1 653 134 134 GLN HA H 4.213 0.003 1 654 134 134 GLN C C 175.044 0.003 1 655 134 134 GLN CA C 55.588 0.027 1 656 134 134 GLN N N 122.288 0.000 1 657 135 135 ASP H H 8.337 0.001 1 658 135 135 ASP HA H 4.585 0.002 1 659 135 135 ASP C C 174.963 0.007 1 660 135 135 ASP CA C 53.394 0.023 1 661 135 135 ASP N N 120.507 0.000 1 662 136 136 TYR H H 8.160 0.001 1 663 136 136 TYR HA H 4.542 0.000 1 664 136 136 TYR C C 175.149 0.005 1 665 136 136 TYR CA C 57.866 0.035 1 666 136 136 TYR N N 121.140 0.000 1 667 137 137 GLU H H 8.159 0.001 1 668 137 137 GLU N N 124.386 0.000 1 669 138 138 PRO HA H 4.335 0.003 1 670 138 138 PRO C C 176.813 0.003 1 671 138 138 PRO CA C 62.910 0.029 1 672 139 139 GLU H H 8.512 0.000 1 673 139 139 GLU HA H 4.288 0.000 1 674 139 139 GLU C C 175.295 0.002 1 675 139 139 GLU CA C 55.813 0.000 1 676 139 139 GLU N N 121.040 0.000 1 677 140 140 ALA H H 8.222 0.001 1 678 140 140 ALA HA H 4.170 0.005 1 679 140 140 ALA C C 181.549 0.000 1 680 140 140 ALA CA C 53.117 0.000 1 681 140 140 ALA N N 129.867 0.000 1 stop_ save_ save_assigned_chem_shif_list_11 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_4.21 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.127 0.003 1 2 1 1 MET C C 171.863 0.003 1 3 1 1 MET CA C 54.945 0.023 1 4 2 2 ASP H H 8.868 0.000 1 5 2 2 ASP HA H 4.722 0.000 1 6 2 2 ASP C C 175.674 0.000 1 7 2 2 ASP CA C 54.005 0.028 1 8 2 2 ASP N N 124.698 0.000 1 9 3 3 VAL H H 8.361 0.001 1 10 3 3 VAL HA H 4.025 0.000 1 11 3 3 VAL C C 175.916 0.004 1 12 3 3 VAL CA C 62.535 0.000 1 13 3 3 VAL N N 120.852 0.000 1 14 4 4 PHE H H 8.432 0.002 1 15 4 4 PHE HA H 4.601 0.003 1 16 4 4 PHE C C 175.834 0.010 1 17 4 4 PHE CA C 57.913 0.047 1 18 4 4 PHE N N 123.911 0.000 1 19 5 5 MET H H 8.294 0.001 1 20 5 5 MET HA H 4.395 0.002 1 21 5 5 MET C C 175.934 0.007 1 22 5 5 MET CA C 55.219 0.050 1 23 5 5 MET N N 122.689 0.000 1 24 6 6 LYS H H 8.357 0.001 1 25 6 6 LYS HA H 4.194 0.004 1 26 6 6 LYS C C 177.173 0.008 1 27 6 6 LYS CA C 56.895 0.017 1 28 6 6 LYS N N 122.978 0.000 1 29 7 7 GLY H H 8.491 0.000 1 30 7 7 GLY HA2 H 3.936 0.000 1 31 7 7 GLY HA3 H 3.936 0.000 1 32 7 7 GLY C C 174.191 0.002 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.065 0.000 1 35 8 8 LEU H H 8.139 0.001 1 36 8 8 LEU HA H 4.380 0.001 1 37 8 8 LEU C C 177.710 0.002 1 38 8 8 LEU CA C 55.148 0.014 1 39 8 8 LEU N N 121.698 0.000 1 40 9 9 SER H H 8.400 0.002 1 41 9 9 SER HA H 4.405 0.004 1 42 9 9 SER C C 174.651 0.000 1 43 9 9 SER CA C 58.370 0.034 1 44 9 9 SER N N 116.953 0.000 1 45 10 10 LYS H H 8.465 0.002 1 46 10 10 LYS HA H 4.365 0.000 1 47 10 10 LYS C C 176.745 0.001 1 48 10 10 LYS CA C 56.473 0.000 1 49 10 10 LYS N N 123.853 0.000 1 50 11 11 ALA H H 8.369 0.001 1 51 11 11 ALA HA H 4.242 0.000 1 52 11 11 ALA C C 178.026 0.000 1 53 11 11 ALA CA C 52.810 0.000 1 54 11 11 ALA N N 125.346 0.000 1 55 12 12 LYS H H 8.412 0.002 1 56 12 12 LYS HA H 4.255 0.000 1 57 12 12 LYS C C 176.792 0.009 1 58 12 12 LYS CA C 56.463 0.000 1 59 12 12 LYS N N 121.057 0.000 1 60 13 13 GLU H H 8.486 0.007 1 61 13 13 GLU C C 176.956 0.000 1 62 13 13 GLU CA C 56.422 0.000 1 63 13 13 GLU N N 122.078 0.000 1 64 14 14 GLY H H 8.531 0.004 1 65 14 14 GLY C C 174.078 0.000 1 66 14 14 GLY CA C 45.256 0.000 1 67 14 14 GLY N N 110.279 0.000 1 68 15 15 VAL H H 8.064 0.002 1 69 15 15 VAL HA H 4.076 0.000 1 70 15 15 VAL C C 176.620 0.002 1 71 15 15 VAL CA C 62.719 0.000 1 72 15 15 VAL N N 120.378 0.000 1 73 16 16 VAL H H 8.370 0.003 1 74 16 16 VAL C C 176.152 0.000 1 75 16 16 VAL CA C 62.603 0.000 1 76 16 16 VAL N N 125.475 0.000 1 77 17 17 ALA H H 8.522 0.002 1 78 17 17 ALA HA H 4.255 0.000 1 79 17 17 ALA C C 177.856 0.002 1 80 17 17 ALA CA C 52.714 0.000 1 81 17 17 ALA N N 128.503 0.000 1 82 18 18 ALA H H 8.384 0.000 1 83 18 18 ALA HA H 4.222 0.000 1 84 18 18 ALA C C 178.026 0.005 1 85 18 18 ALA CA C 52.784 0.000 1 86 18 18 ALA N N 123.679 0.000 1 87 19 19 ALA H H 8.338 0.000 1 88 19 19 ALA HA H 4.264 0.000 1 89 19 19 ALA C C 178.298 0.003 1 90 19 19 ALA CA C 52.800 0.000 1 91 19 19 ALA N N 123.133 0.000 1 92 20 20 GLU H H 8.367 0.001 1 93 20 20 GLU C C 176.830 0.000 1 94 20 20 GLU CA C 56.534 0.000 1 95 20 20 GLU N N 120.034 0.000 1 96 21 21 LYS H H 8.407 0.003 1 97 21 21 LYS HA H 4.332 0.000 1 98 21 21 LYS C C 177.204 0.019 1 99 21 21 LYS CA C 56.787 0.000 1 100 21 21 LYS N N 122.509 0.000 1 101 22 22 THR H H 8.215 0.001 1 102 22 22 THR HA H 4.282 0.000 1 103 22 22 THR C C 174.746 0.001 1 104 22 22 THR CA C 62.222 0.000 1 105 22 22 THR N N 115.564 0.000 1 106 23 23 LYS H H 8.440 0.000 1 107 23 23 LYS HA H 4.290 0.000 1 108 23 23 LYS C C 176.770 0.003 1 109 23 23 LYS CA C 56.804 0.000 1 110 23 23 LYS N N 123.897 0.000 1 111 24 24 GLN H H 8.504 0.001 1 112 24 24 GLN HA H 4.300 0.000 1 113 24 24 GLN C C 176.667 0.001 1 114 24 24 GLN CA C 56.274 0.000 1 115 24 24 GLN N N 121.927 0.000 1 116 25 25 GLY H H 8.539 0.002 1 117 25 25 GLY HA2 H 3.984 0.000 1 118 25 25 GLY HA3 H 3.984 0.000 1 119 25 25 GLY C C 174.325 0.006 1 120 25 25 GLY CA C 45.337 0.000 1 121 25 25 GLY N N 110.658 0.000 1 122 26 26 VAL H H 8.095 0.002 1 123 26 26 VAL HA H 4.063 0.000 1 124 26 26 VAL C C 176.450 0.004 1 125 26 26 VAL CA C 62.592 0.000 1 126 26 26 VAL N N 120.031 0.000 1 127 27 27 ALA H H 8.494 0.001 1 128 27 27 ALA HA H 4.282 0.000 1 129 27 27 ALA C C 178.201 0.005 1 130 27 27 ALA CA C 52.853 0.000 1 131 27 27 ALA N N 127.514 0.000 1 132 28 28 GLU H H 8.446 0.000 1 133 28 28 GLU HA H 4.235 0.000 1 134 28 28 GLU C C 176.545 0.003 1 135 28 28 GLU CA C 56.405 0.000 1 136 28 28 GLU N N 120.465 0.000 1 137 29 29 ALA H H 8.379 0.000 1 138 29 29 ALA HA H 4.255 0.000 1 139 29 29 ALA C C 177.796 0.001 1 140 29 29 ALA CA C 52.734 0.000 1 141 29 29 ALA N N 125.203 0.000 1 142 30 30 ALA H H 8.327 0.002 1 143 30 30 ALA HA H 4.285 0.000 1 144 30 30 ALA C C 178.558 0.000 1 145 30 30 ALA CA C 52.807 0.000 1 146 30 30 ALA N N 123.275 0.000 1 147 31 31 GLY H H 8.395 0.002 1 148 31 31 GLY HA2 H 3.917 0.000 1 149 31 31 GLY HA3 H 3.917 0.000 1 150 31 31 GLY C C 174.275 0.001 1 151 31 31 GLY CA C 45.356 0.000 1 152 31 31 GLY N N 107.930 0.000 1 153 32 32 LYS H H 8.195 0.000 1 154 32 32 LYS HA H 4.410 0.001 1 155 32 32 LYS C C 177.097 0.003 1 156 32 32 LYS CA C 56.282 0.001 1 157 32 32 LYS N N 120.799 0.000 1 158 33 33 THR H H 8.291 0.001 1 159 33 33 THR HA H 4.324 0.000 1 160 33 33 THR C C 174.683 0.006 1 161 33 33 THR CA C 62.012 0.000 1 162 33 33 THR N N 115.766 0.000 1 163 34 34 LYS H H 8.542 0.001 1 164 34 34 LYS C C 176.556 0.000 1 165 34 34 LYS CA C 56.498 0.000 1 166 34 34 LYS N N 124.062 0.000 1 167 35 35 GLU H H 8.496 0.000 1 168 35 35 GLU HA H 4.337 0.000 1 169 35 35 GLU C C 176.825 0.000 1 170 35 35 GLU CA C 56.357 0.000 1 171 35 35 GLU N N 121.993 0.000 1 172 36 36 GLY H H 8.515 0.002 1 173 36 36 GLY HA2 H 3.956 0.000 1 174 36 36 GLY HA3 H 3.956 0.000 1 175 36 36 GLY C C 174.014 0.001 1 176 36 36 GLY CA C 45.218 0.000 1 177 36 36 GLY N N 110.288 0.000 1 178 37 37 VAL H H 8.018 0.001 1 179 37 37 VAL HA H 4.054 0.000 1 180 37 37 VAL C C 176.015 0.003 1 181 37 37 VAL CA C 62.377 0.000 1 182 37 37 VAL N N 119.726 0.000 1 183 38 38 LEU H H 8.364 0.001 1 184 38 38 LEU HA H 4.342 0.002 1 185 38 38 LEU C C 176.613 0.002 1 186 38 38 LEU CA C 54.935 0.010 1 187 38 38 LEU N N 126.020 0.000 1 188 39 39 TYR H H 8.358 0.001 1 189 39 39 TYR HA H 4.570 0.001 1 190 39 39 TYR C C 175.628 0.001 1 191 39 39 TYR CA C 57.947 0.038 1 192 39 39 TYR N N 122.752 0.000 1 193 40 40 VAL H H 8.152 0.001 1 194 40 40 VAL HA H 4.051 0.000 1 195 40 40 VAL C C 176.157 0.010 1 196 40 40 VAL CA C 62.199 0.000 1 197 40 40 VAL N N 123.738 0.000 1 198 41 41 GLY H H 8.098 0.003 1 199 41 41 GLY HA2 H 3.929 0.000 1 200 41 41 GLY HA3 H 3.929 0.000 1 201 41 41 GLY C C 173.986 0.002 1 202 41 41 GLY CA C 45.152 0.000 1 203 41 41 GLY N N 112.293 0.000 1 204 42 42 SER H H 8.325 0.001 1 205 42 42 SER HA H 4.436 0.005 1 206 42 42 SER C C 174.869 0.015 1 207 42 42 SER CA C 58.357 0.028 1 208 42 42 SER N N 115.687 0.000 1 209 43 43 LYS H H 8.571 0.001 1 210 43 43 LYS HA H 4.406 0.001 1 211 43 43 LYS C C 176.961 0.006 1 212 43 43 LYS CA C 56.475 0.023 1 213 43 43 LYS N N 123.625 0.000 1 214 44 44 THR H H 8.233 0.000 1 215 44 44 THR HA H 4.303 0.000 1 216 44 44 THR C C 174.596 0.001 1 217 44 44 THR CA C 62.038 0.000 1 218 44 44 THR N N 115.683 0.000 1 219 45 45 LYS H H 8.500 0.000 1 220 45 45 LYS HA H 4.296 0.000 1 221 45 45 LYS C C 176.553 0.002 1 222 45 45 LYS CA C 56.462 0.000 1 223 45 45 LYS N N 124.074 0.000 1 224 46 46 GLU H H 8.507 0.005 1 225 46 46 GLU HA H 4.336 0.000 1 226 46 46 GLU C C 176.825 0.002 1 227 46 46 GLU CA C 56.357 0.000 1 228 46 46 GLU N N 122.223 0.000 1 229 47 47 GLY H H 8.515 0.002 1 230 47 47 GLY HA2 H 3.911 0.000 1 231 47 47 GLY HA3 H 3.911 0.000 1 232 47 47 GLY C C 173.868 0.004 1 233 47 47 GLY CA C 45.186 0.000 1 234 47 47 GLY N N 110.274 0.000 1 235 48 48 VAL H H 8.031 0.001 1 236 48 48 VAL HA H 4.088 0.000 1 237 48 48 VAL C C 176.180 0.003 1 238 48 48 VAL CA C 62.273 0.000 1 239 48 48 VAL N N 120.011 0.000 1 240 49 49 VAL H H 8.382 0.002 1 241 49 49 VAL HA H 4.058 0.000 1 242 49 49 VAL C C 175.995 0.001 1 243 49 49 VAL CA C 62.273 0.000 1 244 49 49 VAL N N 125.203 0.000 1 245 50 50 HIS H H 8.802 0.000 1 246 50 50 HIS HA H 4.722 0.011 1 247 50 50 HIS C C 174.730 0.004 1 248 50 50 HIS CA C 55.129 0.034 1 249 50 50 HIS N N 123.544 0.000 1 250 51 51 GLY H H 8.560 0.001 1 251 51 51 GLY HA2 H 3.996 0.000 1 252 51 51 GLY HA3 H 3.996 0.000 1 253 51 51 GLY C C 173.739 0.002 1 254 51 51 GLY CA C 45.063 0.000 1 255 51 51 GLY N N 110.752 0.000 1 256 52 52 VAL H H 8.195 0.003 1 257 52 52 VAL HA H 4.146 0.002 1 258 52 52 VAL C C 176.003 0.006 1 259 52 52 VAL CA C 61.972 0.038 1 260 52 52 VAL N N 119.794 0.000 1 261 53 53 ALA H H 8.586 0.001 1 262 53 53 ALA HA H 4.404 0.005 1 263 53 53 ALA C C 177.913 0.012 1 264 53 53 ALA CA C 52.403 0.020 1 265 53 53 ALA N N 128.514 0.000 1 266 54 54 THR H H 8.305 0.000 1 267 54 54 THR HA H 4.309 0.000 1 268 54 54 THR C C 174.623 0.000 1 269 54 54 THR CA C 61.843 0.000 1 270 54 54 THR N N 115.087 0.000 1 271 55 55 VAL H H 8.336 0.001 1 272 55 55 VAL C C 175.995 0.000 1 273 55 55 VAL CA C 62.515 0.000 1 274 55 55 VAL N N 123.282 0.000 1 275 56 56 ALA H H 8.510 0.001 1 276 56 56 ALA HA H 4.267 0.000 1 277 56 56 ALA C C 177.919 0.002 1 278 56 56 ALA CA C 52.632 0.000 1 279 56 56 ALA N N 128.117 0.000 1 280 57 57 GLU H H 8.422 0.001 1 281 57 57 GLU C C 176.674 0.000 1 282 57 57 GLU CA C 56.367 0.000 1 283 57 57 GLU N N 120.787 0.000 1 284 58 58 LYS H H 8.515 0.001 1 285 58 58 LYS HA H 4.325 0.000 1 286 58 58 LYS C C 177.086 0.005 1 287 58 58 LYS CA C 56.633 0.000 1 288 58 58 LYS N N 122.945 0.000 1 289 59 59 THR H H 8.267 0.001 1 290 59 59 THR HA H 4.286 0.000 1 291 59 59 THR C C 174.710 0.034 1 292 59 59 THR CA C 62.276 0.000 1 293 59 59 THR N N 116.048 0.000 1 294 60 60 LYS H H 8.446 0.001 1 295 60 60 LYS HA H 4.290 0.000 1 296 60 60 LYS C C 176.743 0.001 1 297 60 60 LYS CA C 56.717 0.000 1 298 60 60 LYS N N 123.841 0.000 1 299 61 61 GLU H H 8.459 0.002 1 300 61 61 GLU C C 176.293 0.000 1 301 61 61 GLU CA C 56.395 0.000 1 302 61 61 GLU N N 121.979 0.000 1 303 62 62 GLN H H 8.493 0.003 1 304 62 62 GLN HA H 4.345 0.000 1 305 62 62 GLN C C 175.995 0.007 1 306 62 62 GLN CA C 55.841 0.000 1 307 62 62 GLN N N 122.186 0.000 1 308 63 63 VAL H H 8.369 0.004 1 309 63 63 VAL HA H 4.188 0.001 1 310 63 63 VAL C C 176.399 0.004 1 311 63 63 VAL CA C 62.352 0.034 1 312 63 63 VAL N N 122.137 0.000 1 313 64 64 THR H H 8.382 0.002 1 314 64 64 THR HA H 4.367 0.000 1 315 64 64 THR C C 174.068 0.004 1 316 64 64 THR CA C 61.785 0.000 1 317 64 64 THR N N 118.333 0.000 1 318 65 65 ASN H H 8.600 0.001 1 319 65 65 ASN HA H 4.785 0.000 1 320 65 65 ASN C C 175.301 0.000 1 321 65 65 ASN CA C 53.116 0.012 1 322 65 65 ASN N N 121.967 0.000 1 323 66 66 VAL H H 8.328 0.002 1 324 66 66 VAL HA H 4.117 0.001 1 325 66 66 VAL C C 176.931 0.003 1 326 66 66 VAL CA C 62.665 0.033 1 327 66 66 VAL N N 120.928 0.000 1 328 67 67 GLY H H 8.636 0.001 1 329 67 67 GLY HA2 H 3.965 0.000 1 330 67 67 GLY HA3 H 3.965 0.000 1 331 67 67 GLY C C 174.702 0.004 1 332 67 67 GLY CA C 45.333 0.000 1 333 67 67 GLY N N 112.813 0.000 1 334 68 68 GLY H H 8.305 0.002 1 335 68 68 GLY HA2 H 3.940 0.000 1 336 68 68 GLY HA3 H 3.940 0.000 1 337 68 68 GLY C C 173.756 0.005 1 338 68 68 GLY CA C 45.000 0.000 1 339 68 68 GLY N N 108.908 0.000 1 340 69 69 ALA H H 8.239 0.001 1 341 69 69 ALA HA H 4.348 0.003 1 342 69 69 ALA C C 177.712 0.007 1 343 69 69 ALA CA C 52.286 0.010 1 344 69 69 ALA N N 123.876 0.000 1 345 70 70 VAL H H 8.307 0.002 1 346 70 70 VAL HA H 4.080 0.000 1 347 70 70 VAL C C 176.394 0.004 1 348 70 70 VAL CA C 62.427 0.000 1 349 70 70 VAL N N 120.810 0.000 1 350 71 71 VAL H H 8.489 0.002 1 351 71 71 VAL HA H 4.210 0.006 1 352 71 71 VAL C C 176.336 0.004 1 353 71 71 VAL CA C 62.118 0.026 1 354 71 71 VAL N N 125.788 0.000 1 355 72 72 THR H H 8.396 0.002 1 356 72 72 THR HA H 4.364 0.000 1 357 72 72 THR C C 174.945 0.003 1 358 72 72 THR CA C 61.890 0.000 1 359 72 72 THR N N 118.975 0.000 1 360 73 73 GLY H H 8.513 0.000 1 361 73 73 GLY HA2 H 3.988 0.000 1 362 73 73 GLY HA3 H 3.988 0.000 1 363 73 73 GLY C C 174.040 0.001 1 364 73 73 GLY CA C 45.211 0.000 1 365 73 73 GLY N N 111.484 0.000 1 366 74 74 VAL H H 8.165 0.001 1 367 74 74 VAL HA H 4.183 0.006 1 368 74 74 VAL C C 176.625 0.001 1 369 74 74 VAL CA C 62.331 0.013 1 370 74 74 VAL N N 119.704 0.000 1 371 75 75 THR H H 8.385 0.001 1 372 75 75 THR HA H 4.307 0.000 1 373 75 75 THR C C 174.114 0.001 1 374 75 75 THR CA C 61.980 0.000 1 375 75 75 THR N N 119.300 0.000 1 376 76 76 ALA H H 8.461 0.001 1 377 76 76 ALA HA H 4.335 0.003 1 378 76 76 ALA C C 177.642 0.002 1 379 76 76 ALA CA C 52.434 0.006 1 380 76 76 ALA N N 127.642 0.000 1 381 77 77 VAL H H 8.237 0.002 1 382 77 77 VAL HA H 4.039 0.000 1 383 77 77 VAL C C 176.089 0.003 1 384 77 77 VAL CA C 62.267 0.000 1 385 77 77 VAL N N 120.380 0.000 1 386 78 78 ALA H H 8.494 0.002 1 387 78 78 ALA HA H 4.290 0.000 1 388 78 78 ALA C C 177.719 0.000 1 389 78 78 ALA CA C 52.517 0.000 1 390 78 78 ALA N N 128.403 0.000 1 391 79 79 GLN H H 8.480 0.001 1 392 79 79 GLN HA H 4.284 0.000 1 393 79 79 GLN C C 176.036 0.005 1 394 79 79 GLN CA C 55.707 0.000 1 395 79 79 GLN N N 120.506 0.000 1 396 80 80 LYS H H 8.518 0.001 1 397 80 80 LYS HA H 4.364 0.000 1 398 80 80 LYS C C 176.746 0.003 1 399 80 80 LYS CA C 56.419 0.000 1 400 80 80 LYS N N 123.425 0.000 1 401 81 81 THR H H 8.358 0.002 1 402 81 81 THR HA H 4.328 0.000 1 403 81 81 THR C C 174.450 0.011 1 404 81 81 THR CA C 61.987 0.000 1 405 81 81 THR N N 117.092 0.000 1 406 82 82 VAL H H 8.394 0.001 1 407 82 82 VAL HA H 4.106 0.000 1 408 82 82 VAL C C 176.179 0.001 1 409 82 82 VAL CA C 62.328 0.000 1 410 82 82 VAL N N 123.448 0.000 1 411 83 83 GLU H H 8.626 0.000 1 412 83 83 GLU HA H 4.335 0.000 1 413 83 83 GLU C C 176.829 0.013 1 414 83 83 GLU CA C 56.386 0.000 1 415 83 83 GLU N N 125.215 0.000 1 416 84 84 GLY H H 8.594 0.000 1 417 84 84 GLY HA2 H 3.953 0.000 1 418 84 84 GLY HA3 H 3.953 0.000 1 419 84 84 GLY C C 174.123 0.006 1 420 84 84 GLY CA C 45.219 0.000 1 421 84 84 GLY N N 110.879 0.000 1 422 85 85 ALA H H 8.358 0.001 1 423 85 85 ALA HA H 4.304 0.000 1 424 85 85 ALA C C 178.581 0.000 1 425 85 85 ALA CA C 52.936 0.000 1 426 85 85 ALA N N 124.078 0.000 1 427 86 86 GLY H H 8.580 0.001 1 428 86 86 GLY HA2 H 3.963 0.000 1 429 86 86 GLY HA3 H 3.963 0.000 1 430 86 86 GLY C C 174.336 0.007 1 431 86 86 GLY CA C 45.227 0.000 1 432 86 86 GLY N N 108.361 0.000 1 433 87 87 SER H H 8.214 0.001 1 434 87 87 SER HA H 4.454 0.001 1 435 87 87 SER C C 174.742 0.003 1 436 87 87 SER CA C 58.374 0.035 1 437 87 87 SER N N 115.823 0.000 1 438 88 88 ILE H H 8.269 0.001 1 439 88 88 ILE HA H 4.160 0.003 1 440 88 88 ILE C C 176.334 0.008 1 441 88 88 ILE CA C 61.260 0.067 1 442 88 88 ILE N N 122.933 0.000 1 443 89 89 ALA H H 8.426 0.000 1 444 89 89 ALA HA H 4.238 0.000 1 445 89 89 ALA C C 177.628 0.001 1 446 89 89 ALA CA C 52.623 0.000 1 447 89 89 ALA N N 128.251 0.000 1 448 90 90 ALA H H 8.291 0.001 1 449 90 90 ALA HA H 4.240 0.000 1 450 90 90 ALA C C 177.794 0.003 1 451 90 90 ALA CA C 52.451 0.000 1 452 90 90 ALA N N 123.506 0.000 1 453 91 91 ALA H H 8.369 0.001 1 454 91 91 ALA HA H 4.349 0.002 1 455 91 91 ALA C C 178.195 0.000 1 456 91 91 ALA CA C 52.629 0.006 1 457 91 91 ALA N N 123.627 0.000 1 458 92 92 THR H H 8.171 0.002 1 459 92 92 THR HA H 4.295 0.000 1 460 92 92 THR C C 175.215 0.004 1 461 92 92 THR CA C 62.035 0.000 1 462 92 92 THR N N 112.829 0.000 1 463 93 93 GLY H H 8.374 0.001 1 464 93 93 GLY HA2 H 3.905 0.000 1 465 93 93 GLY HA3 H 3.905 0.000 1 466 93 93 GLY C C 173.657 0.004 1 467 93 93 GLY CA C 45.145 0.000 1 468 93 93 GLY N N 110.808 0.000 1 469 94 94 PHE H H 8.161 0.000 1 470 94 94 PHE HA H 4.606 0.002 1 471 94 94 PHE C C 175.556 0.005 1 472 94 94 PHE CA C 57.856 0.010 1 473 94 94 PHE N N 120.404 0.000 1 474 95 95 VAL H H 8.127 0.001 1 475 95 95 VAL HA H 3.989 0.000 1 476 95 95 VAL C C 175.468 0.008 1 477 95 95 VAL CA C 62.058 0.000 1 478 95 95 VAL N N 123.933 0.000 1 479 96 96 LYS H H 8.472 0.002 1 480 96 96 LYS HA H 4.218 0.000 1 481 96 96 LYS C C 176.518 0.000 1 482 96 96 LYS CA C 56.455 0.000 1 483 96 96 LYS N N 126.561 0.000 1 484 97 97 LYS H H 8.530 0.003 1 485 97 97 LYS HA H 4.292 0.000 1 486 97 97 LYS C C 176.459 0.003 1 487 97 97 LYS CA C 56.502 0.000 1 488 97 97 LYS N N 123.766 0.000 1 489 98 98 ASP H H 8.515 0.005 1 490 98 98 ASP HA H 4.583 0.001 1 491 98 98 ASP C C 176.100 0.015 1 492 98 98 ASP CA C 54.079 0.020 1 493 98 98 ASP N N 121.069 0.000 1 494 99 99 GLN H H 8.440 0.001 1 495 99 99 GLN HA H 4.302 0.000 1 496 99 99 GLN C C 176.090 0.005 1 497 99 99 GLN CA C 55.897 0.000 1 498 99 99 GLN N N 120.441 0.000 1 499 100 100 LEU H H 8.344 0.002 1 500 100 100 LEU HA H 4.333 0.001 1 501 100 100 LEU C C 178.025 0.004 1 502 100 100 LEU CA C 55.346 0.024 1 503 100 100 LEU N N 122.875 0.000 1 504 101 101 GLY H H 8.504 0.001 1 505 101 101 GLY HA2 H 3.935 0.000 1 506 101 101 GLY HA3 H 3.935 0.000 1 507 101 101 GLY C C 174.207 0.002 1 508 101 101 GLY CA C 45.322 0.000 1 509 101 101 GLY N N 109.759 0.000 1 510 102 102 LYS H H 8.273 0.002 1 511 102 102 LYS HA H 4.299 0.000 1 512 102 102 LYS C C 176.567 0.002 1 513 102 102 LYS CA C 56.291 0.000 1 514 102 102 LYS N N 120.861 0.000 1 515 103 103 ASN H H 8.672 0.001 1 516 103 103 ASN HA H 4.685 0.005 1 517 103 103 ASN C C 175.413 0.006 1 518 103 103 ASN CA C 53.386 0.020 1 519 103 103 ASN N N 119.741 0.000 1 520 104 104 GLU H H 8.479 0.001 1 521 104 104 GLU HA H 4.324 0.000 1 522 104 104 GLU C C 176.323 0.003 1 523 104 104 GLU CA C 56.260 0.000 1 524 104 104 GLU N N 121.022 0.000 1 525 105 105 GLU H H 8.480 0.000 1 526 105 105 GLU C C 176.775 0.000 1 527 105 105 GLU CA C 56.324 0.000 1 528 105 105 GLU N N 121.377 0.000 1 529 106 106 GLY H H 8.492 0.001 1 530 106 106 GLY HA2 H 3.926 0.000 1 531 106 106 GLY HA3 H 3.926 0.000 1 532 106 106 GLY C C 173.421 0.003 1 533 106 106 GLY CA C 44.993 0.000 1 534 106 106 GLY N N 110.065 0.000 1 535 107 107 ALA H H 8.179 0.001 1 536 107 107 ALA N N 124.905 0.000 1 537 108 108 PRO HA H 4.419 0.002 1 538 108 108 PRO C C 177.096 0.000 1 539 108 108 PRO CA C 63.128 0.038 1 540 109 109 GLN H H 8.630 0.002 1 541 109 109 GLN HA H 4.283 0.000 1 542 109 109 GLN C C 176.037 0.003 1 543 109 109 GLN CA C 55.780 0.000 1 544 109 109 GLN N N 120.977 0.000 1 545 110 110 GLU H H 8.544 0.002 1 546 110 110 GLU HA H 4.339 0.000 1 547 110 110 GLU C C 176.674 0.002 1 548 110 110 GLU CA C 56.359 0.000 1 549 110 110 GLU N N 122.056 0.000 1 550 111 111 GLY H H 8.524 0.002 1 551 111 111 GLY HA2 H 3.943 0.000 1 552 111 111 GLY HA3 H 3.943 0.000 1 553 111 111 GLY C C 173.957 0.002 1 554 111 111 GLY CA C 45.297 0.000 1 555 111 111 GLY N N 110.274 0.000 1 556 112 112 ILE H H 8.034 0.000 1 557 112 112 ILE HA H 4.165 0.003 1 558 112 112 ILE C C 176.424 0.004 1 559 112 112 ILE CA C 61.194 0.002 1 560 112 112 ILE N N 120.012 0.000 1 561 113 113 LEU H H 8.430 0.003 1 562 113 113 LEU HA H 4.358 0.001 1 563 113 113 LEU C C 177.293 0.012 1 564 113 113 LEU CA C 55.217 0.008 1 565 113 113 LEU N N 126.317 0.000 1 566 114 114 GLU H H 8.410 0.001 1 567 114 114 GLU HA H 4.310 0.000 1 568 114 114 GLU C C 175.671 0.009 1 569 114 114 GLU CA C 55.961 0.000 1 570 114 114 GLU N N 121.349 0.000 1 571 115 115 ASP H H 8.440 0.002 1 572 115 115 ASP HA H 4.628 0.000 1 573 115 115 ASP C C 175.262 0.000 1 574 115 115 ASP CA C 53.572 0.019 1 575 115 115 ASP N N 120.510 0.000 1 576 116 116 MET H H 8.277 0.002 1 577 116 116 MET N N 121.886 0.000 1 578 117 117 PRO HA H 4.449 0.002 1 579 117 117 PRO C C 176.727 0.004 1 580 117 117 PRO CA C 62.898 0.035 1 581 118 118 VAL H H 8.354 0.002 1 582 118 118 VAL HA H 4.033 0.000 1 583 118 118 VAL C C 175.774 0.001 1 584 118 118 VAL CA C 62.196 0.000 1 585 118 118 VAL N N 120.904 0.000 1 586 119 119 ASP H H 8.625 0.003 1 587 119 119 ASP N N 125.215 0.000 1 588 120 120 PRO HA H 4.341 0.003 1 589 120 120 PRO C C 176.969 0.005 1 590 120 120 PRO CA C 63.639 0.028 1 591 121 121 ASP H H 8.427 0.004 1 592 121 121 ASP HA H 4.615 0.000 1 593 121 121 ASP C C 175.661 0.002 1 594 121 121 ASP CA C 53.945 0.024 1 595 121 121 ASP N N 118.333 0.000 1 596 122 122 ASN H H 8.181 0.002 1 597 122 122 ASN HA H 4.685 0.000 1 598 122 122 ASN C C 175.460 0.000 1 599 122 122 ASN CA C 53.410 0.018 1 600 122 122 ASN N N 118.995 0.000 1 601 123 123 GLU H H 8.345 0.002 1 602 123 123 GLU HA H 4.262 0.000 1 603 123 123 GLU C C 176.034 0.000 1 604 123 123 GLU CA C 56.274 0.000 1 605 123 123 GLU N N 120.812 0.000 1 606 124 124 ALA H H 8.295 0.002 1 607 124 124 ALA HA H 4.232 0.000 1 608 124 124 ALA C C 177.466 0.001 1 609 124 124 ALA CA C 52.698 0.000 1 610 124 124 ALA N N 124.053 0.000 1 611 125 125 TYR H H 8.029 0.002 1 612 125 125 TYR HA H 4.518 0.002 1 613 125 125 TYR C C 175.488 0.001 1 614 125 125 TYR CA C 57.839 0.026 1 615 125 125 TYR N N 118.942 0.000 1 616 126 126 GLU H H 8.059 0.002 1 617 126 126 GLU HA H 4.296 0.001 1 618 126 126 GLU C C 175.283 0.006 1 619 126 126 GLU CA C 55.219 0.005 1 620 126 126 GLU N N 122.535 0.000 1 621 127 127 MET H H 8.387 0.001 1 622 127 127 MET N N 123.161 0.000 1 623 128 128 PRO HA H 4.378 0.003 1 624 128 128 PRO C C 177.066 0.007 1 625 128 128 PRO CA C 63.349 0.048 1 626 129 129 SER H H 8.464 0.000 1 627 129 129 SER HA H 4.380 0.006 1 628 129 129 SER C C 174.953 0.001 1 629 129 129 SER CA C 58.492 0.007 1 630 129 129 SER N N 115.869 0.000 1 631 130 130 GLU H H 8.505 0.002 1 632 130 130 GLU HA H 4.350 0.000 1 633 130 130 GLU C C 176.287 0.001 1 634 130 130 GLU CA C 56.154 0.000 1 635 130 130 GLU N N 122.384 0.000 1 636 131 131 GLU H H 8.409 0.007 1 637 131 131 GLU HA H 4.285 0.000 1 638 131 131 GLU C C 176.685 0.006 1 639 131 131 GLU CA C 56.460 0.000 1 640 131 131 GLU N N 121.010 0.000 1 641 132 132 GLY H H 8.450 0.000 1 642 132 132 GLY HA2 H 3.881 0.000 1 643 132 132 GLY HA3 H 3.881 0.000 1 644 132 132 GLY C C 173.976 0.003 1 645 132 132 GLY CA C 45.223 0.000 1 646 132 132 GLY N N 109.981 0.000 1 647 133 133 TYR H H 8.094 0.002 1 648 133 133 TYR HA H 4.501 0.002 1 649 133 133 TYR C C 175.865 0.003 1 650 133 133 TYR CA C 58.192 0.035 1 651 133 133 TYR N N 120.251 0.000 1 652 134 134 GLN H H 8.313 0.001 1 653 134 134 GLN HA H 4.216 0.003 1 654 134 134 GLN C C 175.000 0.005 1 655 134 134 GLN CA C 55.547 0.037 1 656 134 134 GLN N N 122.387 0.000 1 657 135 135 ASP H H 8.333 0.001 1 658 135 135 ASP HA H 4.568 0.005 1 659 135 135 ASP C C 175.067 0.010 1 660 135 135 ASP CA C 53.535 0.011 1 661 135 135 ASP N N 120.746 0.000 1 662 136 136 TYR H H 8.163 0.002 1 663 136 136 TYR HA H 4.540 0.001 1 664 136 136 TYR C C 175.161 0.005 1 665 136 136 TYR CA C 57.819 0.026 1 666 136 136 TYR N N 121.159 0.000 1 667 137 137 GLU H H 8.173 0.002 1 668 137 137 GLU N N 124.540 0.000 1 669 138 138 PRO HA H 4.332 0.002 1 670 138 138 PRO C C 176.828 0.012 1 671 138 138 PRO CA C 62.897 0.034 1 672 139 139 GLU H H 8.521 0.004 1 673 139 139 GLU HA H 4.283 0.000 1 674 139 139 GLU C C 175.276 0.000 1 675 139 139 GLU CA C 55.890 0.000 1 676 139 139 GLU N N 121.126 0.000 1 677 140 140 ALA H H 8.182 0.001 1 678 140 140 ALA HA H 4.145 0.004 1 679 140 140 ALA C C 181.855 0.000 1 680 140 140 ALA CA C 53.322 0.000 1 681 140 140 ALA N N 130.249 0.000 1 stop_ save_ save_assigned_chem_shif_list_12 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_4.42 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.129 0.002 1 2 1 1 MET C C 171.861 0.002 1 3 1 1 MET CA C 54.954 0.024 1 4 2 2 ASP H H 8.861 0.000 1 5 2 2 ASP HA H 4.720 0.000 1 6 2 2 ASP C C 175.719 0.000 1 7 2 2 ASP CA C 54.068 0.023 1 8 2 2 ASP N N 124.762 0.000 1 9 3 3 VAL H H 8.360 0.002 1 10 3 3 VAL HA H 4.020 0.000 1 11 3 3 VAL C C 175.913 0.004 1 12 3 3 VAL CA C 62.523 0.000 1 13 3 3 VAL N N 120.852 0.000 1 14 4 4 PHE H H 8.434 0.002 1 15 4 4 PHE HA H 4.602 0.002 1 16 4 4 PHE C C 175.822 0.009 1 17 4 4 PHE CA C 57.911 0.045 1 18 4 4 PHE N N 123.902 0.000 1 19 5 5 MET H H 8.294 0.000 1 20 5 5 MET HA H 4.389 0.004 1 21 5 5 MET C C 175.928 0.000 1 22 5 5 MET CA C 55.243 0.074 1 23 5 5 MET N N 122.665 0.000 1 24 6 6 LYS H H 8.354 0.001 1 25 6 6 LYS HA H 4.196 0.004 1 26 6 6 LYS C C 177.180 0.005 1 27 6 6 LYS CA C 56.901 0.011 1 28 6 6 LYS N N 122.922 0.000 1 29 7 7 GLY H H 8.494 0.002 1 30 7 7 GLY HA2 H 3.935 0.000 1 31 7 7 GLY HA3 H 3.935 0.000 1 32 7 7 GLY C C 174.188 0.005 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.066 0.000 1 35 8 8 LEU H H 8.141 0.001 1 36 8 8 LEU HA H 4.383 0.004 1 37 8 8 LEU C C 177.706 0.002 1 38 8 8 LEU CA C 55.139 0.022 1 39 8 8 LEU N N 121.673 0.000 1 40 9 9 SER H H 8.402 0.001 1 41 9 9 SER HA H 4.407 0.002 1 42 9 9 SER C C 174.639 0.002 1 43 9 9 SER CA C 58.370 0.033 1 44 9 9 SER N N 116.953 0.000 1 45 10 10 LYS H H 8.463 0.000 1 46 10 10 LYS HA H 4.365 0.000 1 47 10 10 LYS C C 176.745 0.002 1 48 10 10 LYS CA C 56.471 0.000 1 49 10 10 LYS N N 123.823 0.000 1 50 11 11 ALA H H 8.373 0.000 1 51 11 11 ALA HA H 4.248 0.000 1 52 11 11 ALA C C 178.012 0.003 1 53 11 11 ALA CA C 52.775 0.000 1 54 11 11 ALA N N 125.409 0.000 1 55 12 12 LYS H H 8.414 0.002 1 56 12 12 LYS HA H 4.255 0.000 1 57 12 12 LYS C C 176.785 0.002 1 58 12 12 LYS CA C 56.457 0.000 1 59 12 12 LYS N N 121.057 0.000 1 60 13 13 GLU H H 8.490 0.001 1 61 13 13 GLU C C 176.985 0.000 1 62 13 13 GLU CA C 56.475 0.000 1 63 13 13 GLU N N 122.078 0.000 1 64 14 14 GLY H H 8.532 0.005 1 65 14 14 GLY C C 174.078 0.000 1 66 14 14 GLY CA C 45.282 0.000 1 67 14 14 GLY N N 110.279 0.000 1 68 15 15 VAL H H 8.058 0.003 1 69 15 15 VAL HA H 4.077 0.000 1 70 15 15 VAL C C 176.599 0.000 1 71 15 15 VAL CA C 62.688 0.000 1 72 15 15 VAL N N 120.378 0.000 1 73 16 16 VAL H H 8.370 0.003 1 74 16 16 VAL C C 176.137 0.000 1 75 16 16 VAL CA C 62.585 0.000 1 76 16 16 VAL N N 125.409 0.000 1 77 17 17 ALA H H 8.525 0.001 1 78 17 17 ALA HA H 4.253 0.000 1 79 17 17 ALA C C 177.832 0.002 1 80 17 17 ALA CA C 52.702 0.000 1 81 17 17 ALA N N 128.548 0.000 1 82 18 18 ALA H H 8.387 0.001 1 83 18 18 ALA HA H 4.222 0.000 1 84 18 18 ALA C C 178.021 0.000 1 85 18 18 ALA CA C 52.786 0.000 1 86 18 18 ALA N N 123.709 0.000 1 87 19 19 ALA H H 8.341 0.001 1 88 19 19 ALA HA H 4.267 0.000 1 89 19 19 ALA C C 178.286 0.008 1 90 19 19 ALA CA C 52.804 0.000 1 91 19 19 ALA N N 123.193 0.000 1 92 20 20 GLU H H 8.375 0.002 1 93 20 20 GLU C C 176.879 0.000 1 94 20 20 GLU CA C 56.599 0.000 1 95 20 20 GLU N N 120.082 0.000 1 96 21 21 LYS H H 8.409 0.001 1 97 21 21 LYS HA H 4.329 0.000 1 98 21 21 LYS C C 177.228 0.001 1 99 21 21 LYS CA C 56.762 0.000 1 100 21 21 LYS N N 122.509 0.000 1 101 22 22 THR H H 8.212 0.002 1 102 22 22 THR HA H 4.269 0.000 1 103 22 22 THR C C 174.727 0.028 1 104 22 22 THR CA C 62.245 0.000 1 105 22 22 THR N N 115.564 0.000 1 106 23 23 LYS H H 8.438 0.002 1 107 23 23 LYS HA H 4.290 0.000 1 108 23 23 LYS C C 176.794 0.005 1 109 23 23 LYS CA C 56.804 0.000 1 110 23 23 LYS N N 123.902 0.000 1 111 24 24 GLN H H 8.507 0.002 1 112 24 24 GLN HA H 4.300 0.000 1 113 24 24 GLN C C 176.692 0.001 1 114 24 24 GLN CA C 56.315 0.000 1 115 24 24 GLN N N 121.977 0.000 1 116 25 25 GLY H H 8.544 0.005 1 117 25 25 GLY HA2 H 3.984 0.000 1 118 25 25 GLY HA3 H 3.984 0.000 1 119 25 25 GLY C C 174.334 0.000 1 120 25 25 GLY CA C 45.364 0.000 1 121 25 25 GLY N N 110.672 0.000 1 122 26 26 VAL H H 8.093 0.003 1 123 26 26 VAL HA H 4.058 0.000 1 124 26 26 VAL C C 176.457 0.007 1 125 26 26 VAL CA C 62.606 0.000 1 126 26 26 VAL N N 120.015 0.000 1 127 27 27 ALA H H 8.498 0.001 1 128 27 27 ALA HA H 4.287 0.000 1 129 27 27 ALA C C 178.210 0.002 1 130 27 27 ALA CA C 52.858 0.000 1 131 27 27 ALA N N 127.510 0.000 1 132 28 28 GLU H H 8.453 0.002 1 133 28 28 GLU HA H 4.219 0.000 1 134 28 28 GLU C C 176.587 0.006 1 135 28 28 GLU CA C 56.596 0.000 1 136 28 28 GLU N N 120.498 0.000 1 137 29 29 ALA H H 8.379 0.001 1 138 29 29 ALA HA H 4.257 0.000 1 139 29 29 ALA C C 177.808 0.002 1 140 29 29 ALA CA C 52.738 0.000 1 141 29 29 ALA N N 125.166 0.000 1 142 30 30 ALA H H 8.322 0.001 1 143 30 30 ALA HA H 4.288 0.000 1 144 30 30 ALA C C 178.562 0.005 1 145 30 30 ALA CA C 52.807 0.000 1 146 30 30 ALA N N 123.219 0.000 1 147 31 31 GLY H H 8.392 0.002 1 148 31 31 GLY HA2 H 3.917 0.000 1 149 31 31 GLY HA3 H 3.917 0.000 1 150 31 31 GLY C C 174.274 0.002 1 151 31 31 GLY CA C 45.356 0.000 1 152 31 31 GLY N N 107.898 0.000 1 153 32 32 LYS H H 8.189 0.000 1 154 32 32 LYS HA H 4.413 0.003 1 155 32 32 LYS C C 177.101 0.002 1 156 32 32 LYS CA C 56.282 0.001 1 157 32 32 LYS N N 120.804 0.000 1 158 33 33 THR H H 8.293 0.001 1 159 33 33 THR HA H 4.330 0.000 1 160 33 33 THR C C 174.694 0.008 1 161 33 33 THR CA C 62.000 0.000 1 162 33 33 THR N N 115.775 0.000 1 163 34 34 LYS H H 8.547 0.002 1 164 34 34 LYS C C 176.571 0.000 1 165 34 34 LYS CA C 56.512 0.000 1 166 34 34 LYS N N 124.056 0.000 1 167 35 35 GLU H H 8.504 0.002 1 168 35 35 GLU HA H 4.325 0.000 1 169 35 35 GLU C C 176.865 0.007 1 170 35 35 GLU CA C 56.412 0.000 1 171 35 35 GLU N N 121.976 0.000 1 172 36 36 GLY H H 8.512 0.004 1 173 36 36 GLY HA2 H 3.953 0.000 1 174 36 36 GLY HA3 H 3.953 0.000 1 175 36 36 GLY C C 174.033 0.006 1 176 36 36 GLY CA C 45.227 0.000 1 177 36 36 GLY N N 110.242 0.000 1 178 37 37 VAL H H 8.008 0.002 1 179 37 37 VAL HA H 4.054 0.000 1 180 37 37 VAL C C 176.004 0.004 1 181 37 37 VAL CA C 62.377 0.000 1 182 37 37 VAL N N 119.718 0.000 1 183 38 38 LEU H H 8.364 0.001 1 184 38 38 LEU HA H 4.319 0.027 1 185 38 38 LEU C C 176.606 0.002 1 186 38 38 LEU CA C 54.950 0.018 1 187 38 38 LEU N N 126.014 0.000 1 188 39 39 TYR H H 8.359 0.002 1 189 39 39 TYR HA H 4.569 0.000 1 190 39 39 TYR C C 175.633 0.003 1 191 39 39 TYR CA C 57.932 0.023 1 192 39 39 TYR N N 122.739 0.000 1 193 40 40 VAL H H 8.151 0.002 1 194 40 40 VAL HA H 4.051 0.000 1 195 40 40 VAL C C 176.166 0.009 1 196 40 40 VAL CA C 62.197 0.000 1 197 40 40 VAL N N 123.697 0.000 1 198 41 41 GLY H H 8.101 0.003 1 199 41 41 GLY HA2 H 3.929 0.000 1 200 41 41 GLY HA3 H 3.929 0.000 1 201 41 41 GLY C C 173.986 0.002 1 202 41 41 GLY CA C 45.140 0.000 1 203 41 41 GLY N N 112.289 0.000 1 204 42 42 SER H H 8.328 0.000 1 205 42 42 SER HA H 4.442 0.012 1 206 42 42 SER C C 174.892 0.014 1 207 42 42 SER CA C 58.365 0.036 1 208 42 42 SER N N 115.694 0.000 1 209 43 43 LYS H H 8.569 0.001 1 210 43 43 LYS HA H 4.413 0.001 1 211 43 43 LYS C C 176.952 0.003 1 212 43 43 LYS CA C 56.466 0.009 1 213 43 43 LYS N N 123.621 0.000 1 214 44 44 THR H H 8.238 0.001 1 215 44 44 THR HA H 4.305 0.000 1 216 44 44 THR C C 174.608 0.000 1 217 44 44 THR CA C 61.997 0.000 1 218 44 44 THR N N 115.703 0.000 1 219 45 45 LYS H H 8.500 0.000 1 220 45 45 LYS HA H 4.295 0.000 1 221 45 45 LYS C C 176.572 0.001 1 222 45 45 LYS CA C 56.474 0.000 1 223 45 45 LYS N N 124.031 0.000 1 224 46 46 GLU H H 8.518 0.002 1 225 46 46 GLU HA H 4.323 0.000 1 226 46 46 GLU C C 176.867 0.006 1 227 46 46 GLU CA C 56.414 0.000 1 228 46 46 GLU N N 122.281 0.000 1 229 47 47 GLY H H 8.513 0.003 1 230 47 47 GLY HA2 H 3.911 0.000 1 231 47 47 GLY HA3 H 3.911 0.000 1 232 47 47 GLY C C 173.881 0.003 1 233 47 47 GLY CA C 45.182 0.000 1 234 47 47 GLY N N 110.250 0.000 1 235 48 48 VAL H H 8.024 0.000 1 236 48 48 VAL HA H 4.088 0.000 1 237 48 48 VAL C C 176.180 0.003 1 238 48 48 VAL CA C 62.273 0.000 1 239 48 48 VAL N N 120.008 0.000 1 240 49 49 VAL H H 8.382 0.002 1 241 49 49 VAL HA H 4.054 0.000 1 242 49 49 VAL C C 175.999 0.002 1 243 49 49 VAL CA C 62.288 0.000 1 244 49 49 VAL N N 125.166 0.000 1 245 50 50 HIS H H 8.801 0.001 1 246 50 50 HIS HA H 4.732 0.000 1 247 50 50 HIS C C 174.734 0.010 1 248 50 50 HIS CA C 55.139 0.035 1 249 50 50 HIS N N 123.536 0.000 1 250 51 51 GLY H H 8.561 0.001 1 251 51 51 GLY HA2 H 3.994 0.000 1 252 51 51 GLY HA3 H 3.994 0.000 1 253 51 51 GLY C C 173.743 0.001 1 254 51 51 GLY CA C 45.063 0.000 1 255 51 51 GLY N N 110.735 0.000 1 256 52 52 VAL H H 8.194 0.001 1 257 52 52 VAL HA H 4.146 0.003 1 258 52 52 VAL C C 176.005 0.000 1 259 52 52 VAL CA C 61.979 0.040 1 260 52 52 VAL N N 119.777 0.000 1 261 53 53 ALA H H 8.586 0.001 1 262 53 53 ALA HA H 4.405 0.001 1 263 53 53 ALA C C 177.895 0.002 1 264 53 53 ALA CA C 52.402 0.021 1 265 53 53 ALA N N 128.493 0.000 1 266 54 54 THR H H 8.308 0.002 1 267 54 54 THR HA H 4.305 0.000 1 268 54 54 THR C C 174.612 0.004 1 269 54 54 THR CA C 61.849 0.000 1 270 54 54 THR N N 115.111 0.000 1 271 55 55 VAL H H 8.338 0.002 1 272 55 55 VAL C C 175.980 0.000 1 273 55 55 VAL CA C 62.515 0.000 1 274 55 55 VAL N N 123.282 0.000 1 275 56 56 ALA H H 8.511 0.001 1 276 56 56 ALA HA H 4.286 0.000 1 277 56 56 ALA C C 177.904 0.002 1 278 56 56 ALA CA C 52.669 0.000 1 279 56 56 ALA N N 128.136 0.000 1 280 57 57 GLU H H 8.427 0.002 1 281 57 57 GLU C C 176.698 0.000 1 282 57 57 GLU CA C 56.414 0.000 1 283 57 57 GLU N N 120.884 0.000 1 284 58 58 LYS H H 8.516 0.002 1 285 58 58 LYS HA H 4.342 0.000 1 286 58 58 LYS C C 177.093 0.005 1 287 58 58 LYS CA C 56.624 0.000 1 288 58 58 LYS N N 122.968 0.000 1 289 59 59 THR H H 8.274 0.002 1 290 59 59 THR HA H 4.269 0.000 1 291 59 59 THR C C 174.695 0.005 1 292 59 59 THR CA C 62.276 0.000 1 293 59 59 THR N N 116.092 0.000 1 294 60 60 LYS H H 8.448 0.003 1 295 60 60 LYS HA H 4.276 0.000 1 296 60 60 LYS C C 176.762 0.008 1 297 60 60 LYS CA C 56.709 0.000 1 298 60 60 LYS N N 123.858 0.000 1 299 61 61 GLU H H 8.473 0.002 1 300 61 61 GLU C C 176.362 0.000 1 301 61 61 GLU CA C 56.464 0.000 1 302 61 61 GLU N N 122.009 0.000 1 303 62 62 GLN H H 8.496 0.004 1 304 62 62 GLN HA H 4.341 0.000 1 305 62 62 GLN C C 176.005 0.003 1 306 62 62 GLN CA C 55.841 0.000 1 307 62 62 GLN N N 122.252 0.000 1 308 63 63 VAL H H 8.365 0.001 1 309 63 63 VAL HA H 4.184 0.004 1 310 63 63 VAL C C 176.399 0.006 1 311 63 63 VAL CA C 62.354 0.032 1 312 63 63 VAL N N 122.147 0.000 1 313 64 64 THR H H 8.382 0.002 1 314 64 64 THR HA H 4.358 0.000 1 315 64 64 THR C C 174.076 0.004 1 316 64 64 THR CA C 61.820 0.000 1 317 64 64 THR N N 118.333 0.000 1 318 65 65 ASN H H 8.599 0.002 1 319 65 65 ASN HA H 4.781 0.000 1 320 65 65 ASN C C 175.306 0.000 1 321 65 65 ASN CA C 53.114 0.004 1 322 65 65 ASN N N 121.975 0.000 1 323 66 66 VAL H H 8.328 0.002 1 324 66 66 VAL HA H 4.116 0.003 1 325 66 66 VAL C C 176.936 0.004 1 326 66 66 VAL CA C 62.665 0.034 1 327 66 66 VAL N N 120.928 0.000 1 328 67 67 GLY H H 8.636 0.001 1 329 67 67 GLY HA2 H 3.967 0.000 1 330 67 67 GLY HA3 H 3.967 0.000 1 331 67 67 GLY C C 174.704 0.001 1 332 67 67 GLY CA C 45.350 0.000 1 333 67 67 GLY N N 112.813 0.000 1 334 68 68 GLY H H 8.304 0.003 1 335 68 68 GLY HA2 H 3.941 0.000 1 336 68 68 GLY HA3 H 3.941 0.000 1 337 68 68 GLY C C 173.757 0.005 1 338 68 68 GLY CA C 45.005 0.000 1 339 68 68 GLY N N 108.921 0.000 1 340 69 69 ALA H H 8.238 0.001 1 341 69 69 ALA HA H 4.347 0.004 1 342 69 69 ALA C C 177.713 0.006 1 343 69 69 ALA CA C 52.286 0.010 1 344 69 69 ALA N N 123.854 0.000 1 345 70 70 VAL H H 8.307 0.001 1 346 70 70 VAL HA H 4.084 0.000 1 347 70 70 VAL C C 176.393 0.003 1 348 70 70 VAL CA C 62.427 0.000 1 349 70 70 VAL N N 120.773 0.000 1 350 71 71 VAL H H 8.489 0.002 1 351 71 71 VAL HA H 4.213 0.004 1 352 71 71 VAL C C 176.341 0.005 1 353 71 71 VAL CA C 62.123 0.021 1 354 71 71 VAL N N 125.763 0.000 1 355 72 72 THR H H 8.396 0.001 1 356 72 72 THR HA H 4.361 0.000 1 357 72 72 THR C C 174.941 0.004 1 358 72 72 THR CA C 61.890 0.000 1 359 72 72 THR N N 118.975 0.000 1 360 73 73 GLY H H 8.516 0.000 1 361 73 73 GLY HA2 H 3.986 0.000 1 362 73 73 GLY HA3 H 3.986 0.000 1 363 73 73 GLY C C 174.041 0.003 1 364 73 73 GLY CA C 45.211 0.000 1 365 73 73 GLY N N 111.490 0.000 1 366 74 74 VAL H H 8.163 0.001 1 367 74 74 VAL HA H 4.188 0.001 1 368 74 74 VAL C C 176.618 0.000 1 369 74 74 VAL CA C 62.331 0.009 1 370 74 74 VAL N N 119.699 0.000 1 371 75 75 THR H H 8.382 0.002 1 372 75 75 THR HA H 4.307 0.000 1 373 75 75 THR C C 174.110 0.005 1 374 75 75 THR CA C 61.980 0.000 1 375 75 75 THR N N 119.290 0.000 1 376 76 76 ALA H H 8.459 0.001 1 377 76 76 ALA HA H 4.335 0.003 1 378 76 76 ALA C C 177.641 0.003 1 379 76 76 ALA CA C 52.440 0.011 1 380 76 76 ALA N N 127.617 0.000 1 381 77 77 VAL H H 8.236 0.001 1 382 77 77 VAL HA H 4.039 0.000 1 383 77 77 VAL C C 176.089 0.001 1 384 77 77 VAL CA C 62.267 0.000 1 385 77 77 VAL N N 120.367 0.000 1 386 78 78 ALA H H 8.496 0.000 1 387 78 78 ALA HA H 4.287 0.000 1 388 78 78 ALA C C 177.708 0.009 1 389 78 78 ALA CA C 52.507 0.000 1 390 78 78 ALA N N 128.401 0.000 1 391 79 79 GLN H H 8.480 0.001 1 392 79 79 GLN HA H 4.285 0.000 1 393 79 79 GLN C C 176.029 0.002 1 394 79 79 GLN CA C 55.712 0.000 1 395 79 79 GLN N N 120.506 0.000 1 396 80 80 LYS H H 8.516 0.000 1 397 80 80 LYS HA H 4.364 0.000 1 398 80 80 LYS C C 176.746 0.003 1 399 80 80 LYS CA C 56.419 0.000 1 400 80 80 LYS N N 123.443 0.000 1 401 81 81 THR H H 8.365 0.001 1 402 81 81 THR HA H 4.337 0.000 1 403 81 81 THR C C 174.457 0.013 1 404 81 81 THR CA C 61.987 0.000 1 405 81 81 THR N N 117.124 0.000 1 406 82 82 VAL H H 8.394 0.001 1 407 82 82 VAL HA H 4.103 0.000 1 408 82 82 VAL C C 176.188 0.001 1 409 82 82 VAL CA C 62.341 0.000 1 410 82 82 VAL N N 123.368 0.000 1 411 83 83 GLU H H 8.632 0.000 1 412 83 83 GLU HA H 4.292 0.000 1 413 83 83 GLU C C 176.885 0.013 1 414 83 83 GLU CA C 56.473 0.000 1 415 83 83 GLU N N 125.321 0.000 1 416 84 84 GLY H H 8.595 0.003 1 417 84 84 GLY HA2 H 3.953 0.000 1 418 84 84 GLY HA3 H 3.953 0.000 1 419 84 84 GLY C C 174.144 0.001 1 420 84 84 GLY CA C 45.244 0.000 1 421 84 84 GLY N N 110.874 0.000 1 422 85 85 ALA H H 8.353 0.001 1 423 85 85 ALA HA H 4.304 0.000 1 424 85 85 ALA C C 178.579 0.002 1 425 85 85 ALA CA C 52.909 0.000 1 426 85 85 ALA N N 124.062 0.000 1 427 86 86 GLY H H 8.578 0.001 1 428 86 86 GLY HA2 H 3.963 0.000 1 429 86 86 GLY HA3 H 3.963 0.000 1 430 86 86 GLY C C 174.337 0.006 1 431 86 86 GLY CA C 45.258 0.000 1 432 86 86 GLY N N 108.348 0.000 1 433 87 87 SER H H 8.216 0.000 1 434 87 87 SER HA H 4.456 0.002 1 435 87 87 SER C C 174.746 0.002 1 436 87 87 SER CA C 58.361 0.032 1 437 87 87 SER N N 115.801 0.000 1 438 88 88 ILE H H 8.269 0.001 1 439 88 88 ILE HA H 4.162 0.001 1 440 88 88 ILE C C 176.337 0.004 1 441 88 88 ILE CA C 61.284 0.053 1 442 88 88 ILE N N 122.946 0.000 1 443 89 89 ALA H H 8.430 0.003 1 444 89 89 ALA HA H 4.243 0.000 1 445 89 89 ALA C C 177.628 0.001 1 446 89 89 ALA CA C 52.622 0.000 1 447 89 89 ALA N N 128.254 0.000 1 448 90 90 ALA H H 8.291 0.001 1 449 90 90 ALA HA H 4.240 0.000 1 450 90 90 ALA C C 177.793 0.004 1 451 90 90 ALA CA C 52.459 0.000 1 452 90 90 ALA N N 123.498 0.000 1 453 91 91 ALA H H 8.368 0.001 1 454 91 91 ALA HA H 4.349 0.002 1 455 91 91 ALA C C 178.196 0.001 1 456 91 91 ALA CA C 52.627 0.005 1 457 91 91 ALA N N 123.593 0.000 1 458 92 92 THR H H 8.172 0.001 1 459 92 92 THR HA H 4.295 0.000 1 460 92 92 THR C C 175.209 0.000 1 461 92 92 THR CA C 62.035 0.000 1 462 92 92 THR N N 112.826 0.000 1 463 93 93 GLY H H 8.379 0.001 1 464 93 93 GLY HA2 H 3.905 0.000 1 465 93 93 GLY HA3 H 3.905 0.000 1 466 93 93 GLY C C 173.656 0.004 1 467 93 93 GLY CA C 45.145 0.000 1 468 93 93 GLY N N 110.807 0.000 1 469 94 94 PHE H H 8.161 0.000 1 470 94 94 PHE HA H 4.600 0.004 1 471 94 94 PHE C C 175.548 0.003 1 472 94 94 PHE CA C 57.862 0.004 1 473 94 94 PHE N N 120.427 0.000 1 474 95 95 VAL H H 8.129 0.001 1 475 95 95 VAL HA H 4.009 0.000 1 476 95 95 VAL C C 175.456 0.009 1 477 95 95 VAL CA C 62.044 0.000 1 478 95 95 VAL N N 123.952 0.000 1 479 96 96 LYS H H 8.473 0.002 1 480 96 96 LYS HA H 4.205 0.000 1 481 96 96 LYS C C 176.509 0.006 1 482 96 96 LYS CA C 56.457 0.000 1 483 96 96 LYS N N 126.582 0.000 1 484 97 97 LYS H H 8.536 0.005 1 485 97 97 LYS HA H 4.284 0.000 1 486 97 97 LYS C C 176.448 0.001 1 487 97 97 LYS CA C 56.502 0.000 1 488 97 97 LYS N N 123.814 0.000 1 489 98 98 ASP H H 8.513 0.005 1 490 98 98 ASP HA H 4.575 0.003 1 491 98 98 ASP C C 176.126 0.015 1 492 98 98 ASP CA C 54.158 0.028 1 493 98 98 ASP N N 121.126 0.000 1 494 99 99 GLN H H 8.439 0.001 1 495 99 99 GLN HA H 4.312 0.000 1 496 99 99 GLN C C 176.083 0.009 1 497 99 99 GLN CA C 55.911 0.000 1 498 99 99 GLN N N 120.406 0.000 1 499 100 100 LEU H H 8.350 0.000 1 500 100 100 LEU HA H 4.332 0.001 1 501 100 100 LEU C C 178.043 0.005 1 502 100 100 LEU CA C 55.364 0.029 1 503 100 100 LEU N N 122.865 0.000 1 504 101 101 GLY H H 8.514 0.001 1 505 101 101 GLY HA2 H 3.935 0.000 1 506 101 101 GLY HA3 H 3.935 0.000 1 507 101 101 GLY C C 174.188 0.005 1 508 101 101 GLY CA C 45.320 0.000 1 509 101 101 GLY N N 109.800 0.000 1 510 102 102 LYS H H 8.277 0.001 1 511 102 102 LYS HA H 4.295 0.000 1 512 102 102 LYS C C 176.565 0.006 1 513 102 102 LYS CA C 56.279 0.000 1 514 102 102 LYS N N 120.862 0.000 1 515 103 103 ASN H H 8.679 0.002 1 516 103 103 ASN HA H 4.688 0.001 1 517 103 103 ASN C C 175.415 0.011 1 518 103 103 ASN CA C 53.360 0.009 1 519 103 103 ASN N N 119.814 0.000 1 520 104 104 GLU H H 8.494 0.002 1 521 104 104 GLU HA H 4.323 0.000 1 522 104 104 GLU C C 176.380 0.015 1 523 104 104 GLU CA C 56.352 0.000 1 524 104 104 GLU N N 121.125 0.000 1 525 105 105 GLU H H 8.490 0.001 1 526 105 105 GLU C C 176.822 0.000 1 527 105 105 GLU CA C 56.381 0.000 1 528 105 105 GLU N N 121.490 0.000 1 529 106 106 GLY H H 8.496 0.000 1 530 106 106 GLY HA2 H 3.926 0.000 1 531 106 106 GLY HA3 H 3.926 0.000 1 532 106 106 GLY C C 173.432 0.003 1 533 106 106 GLY CA C 44.995 0.000 1 534 106 106 GLY N N 110.066 0.000 1 535 107 107 ALA H H 8.182 0.000 1 536 107 107 ALA N N 124.942 0.000 1 537 108 108 PRO HA H 4.419 0.003 1 538 108 108 PRO C C 177.101 0.002 1 539 108 108 PRO CA C 63.126 0.033 1 540 109 109 GLN H H 8.636 0.001 1 541 109 109 GLN HA H 4.285 0.000 1 542 109 109 GLN C C 176.032 0.002 1 543 109 109 GLN CA C 55.775 0.000 1 544 109 109 GLN N N 121.042 0.000 1 545 110 110 GLU H H 8.554 0.001 1 546 110 110 GLU HA H 4.329 0.000 1 547 110 110 GLU C C 176.702 0.003 1 548 110 110 GLU CA C 56.422 0.000 1 549 110 110 GLU N N 122.153 0.000 1 550 111 111 GLY H H 8.524 0.003 1 551 111 111 GLY HA2 H 3.935 0.000 1 552 111 111 GLY HA3 H 3.935 0.000 1 553 111 111 GLY C C 173.928 0.000 1 554 111 111 GLY CA C 45.305 0.000 1 555 111 111 GLY N N 110.241 0.000 1 556 112 112 ILE H H 8.037 0.001 1 557 112 112 ILE HA H 4.167 0.002 1 558 112 112 ILE C C 176.400 0.001 1 559 112 112 ILE CA C 61.088 0.025 1 560 112 112 ILE N N 120.065 0.000 1 561 113 113 LEU H H 8.440 0.002 1 562 113 113 LEU HA H 4.363 0.005 1 563 113 113 LEU C C 177.268 0.003 1 564 113 113 LEU CA C 55.210 0.000 1 565 113 113 LEU N N 126.459 0.000 1 566 114 114 GLU H H 8.426 0.002 1 567 114 114 GLU HA H 4.300 0.000 1 568 114 114 GLU C C 175.709 0.005 1 569 114 114 GLU CA C 56.033 0.000 1 570 114 114 GLU N N 121.513 0.000 1 571 115 115 ASP H H 8.440 0.001 1 572 115 115 ASP HA H 4.616 0.000 1 573 115 115 ASP C C 175.374 0.000 1 574 115 115 ASP CA C 53.706 0.020 1 575 115 115 ASP N N 120.657 0.000 1 576 116 116 MET H H 8.287 0.001 1 577 116 116 MET N N 121.920 0.000 1 578 117 117 PRO HA H 4.447 0.003 1 579 117 117 PRO C C 176.724 0.003 1 580 117 117 PRO CA C 62.903 0.031 1 581 118 118 VAL H H 8.360 0.001 1 582 118 118 VAL HA H 4.042 0.000 1 583 118 118 VAL C C 175.786 0.000 1 584 118 118 VAL CA C 62.113 0.000 1 585 118 118 VAL N N 120.861 0.000 1 586 119 119 ASP H H 8.620 0.003 1 587 119 119 ASP N N 125.344 0.000 1 588 120 120 PRO HA H 4.342 0.001 1 589 120 120 PRO C C 176.971 0.001 1 590 120 120 PRO CA C 63.619 0.048 1 591 121 121 ASP H H 8.432 0.001 1 592 121 121 ASP HA H 4.624 0.000 1 593 121 121 ASP C C 175.764 0.000 1 594 121 121 ASP CA C 54.046 0.015 1 595 121 121 ASP N N 118.471 0.000 1 596 122 122 ASN H H 8.181 0.001 1 597 122 122 ASN HA H 4.685 0.000 1 598 122 122 ASN C C 175.468 0.000 1 599 122 122 ASN CA C 53.418 0.025 1 600 122 122 ASN N N 119.059 0.000 1 601 123 123 GLU H H 8.361 0.000 1 602 123 123 GLU HA H 4.253 0.000 1 603 123 123 GLU C C 176.039 0.001 1 604 123 123 GLU CA C 56.281 0.000 1 605 123 123 GLU N N 121.077 0.000 1 606 124 124 ALA H H 8.295 0.002 1 607 124 124 ALA HA H 4.231 0.000 1 608 124 124 ALA C C 177.454 0.003 1 609 124 124 ALA CA C 52.668 0.000 1 610 124 124 ALA N N 124.104 0.000 1 611 125 125 TYR H H 8.041 0.001 1 612 125 125 TYR HA H 4.519 0.000 1 613 125 125 TYR C C 175.481 0.001 1 614 125 125 TYR CA C 57.829 0.016 1 615 125 125 TYR N N 119.086 0.000 1 616 126 126 GLU H H 8.076 0.002 1 617 126 126 GLU HA H 4.293 0.001 1 618 126 126 GLU C C 175.301 0.000 1 619 126 126 GLU CA C 55.243 0.016 1 620 126 126 GLU N N 122.707 0.000 1 621 127 127 MET H H 8.406 0.000 1 622 127 127 MET N N 123.330 0.000 1 623 128 128 PRO HA H 4.393 0.002 1 624 128 128 PRO C C 177.040 0.002 1 625 128 128 PRO CA C 63.282 0.046 1 626 129 129 SER H H 8.479 0.002 1 627 129 129 SER HA H 4.381 0.005 1 628 129 129 SER C C 174.940 0.005 1 629 129 129 SER CA C 58.482 0.003 1 630 129 129 SER N N 116.056 0.000 1 631 130 130 GLU H H 8.532 0.001 1 632 130 130 GLU HA H 4.334 0.000 1 633 130 130 GLU C C 176.332 0.005 1 634 130 130 GLU CA C 56.146 0.000 1 635 130 130 GLU N N 122.546 0.000 1 636 131 131 GLU H H 8.426 0.003 1 637 131 131 GLU HA H 4.271 0.000 1 638 131 131 GLU C C 176.740 0.001 1 639 131 131 GLU CA C 56.519 0.000 1 640 131 131 GLU N N 121.278 0.000 1 641 132 132 GLY H H 8.459 0.002 1 642 132 132 GLY HA2 H 3.880 0.000 1 643 132 132 GLY HA3 H 3.880 0.000 1 644 132 132 GLY C C 173.957 0.002 1 645 132 132 GLY CA C 45.201 0.000 1 646 132 132 GLY N N 109.983 0.000 1 647 133 133 TYR H H 8.101 0.001 1 648 133 133 TYR HA H 4.502 0.001 1 649 133 133 TYR C C 175.848 0.003 1 650 133 133 TYR CA C 58.193 0.035 1 651 133 133 TYR N N 120.254 0.000 1 652 134 134 GLN H H 8.308 0.002 1 653 134 134 GLN HA H 4.220 0.001 1 654 134 134 GLN C C 174.974 0.012 1 655 134 134 GLN CA C 55.527 0.023 1 656 134 134 GLN N N 122.485 0.000 1 657 135 135 ASP H H 8.329 0.002 1 658 135 135 ASP HA H 4.558 0.009 1 659 135 135 ASP C C 175.154 0.007 1 660 135 135 ASP CA C 53.660 0.027 1 661 135 135 ASP N N 120.935 0.000 1 662 136 136 TYR H H 8.165 0.002 1 663 136 136 TYR HA H 4.545 0.004 1 664 136 136 TYR C C 175.151 0.005 1 665 136 136 TYR CA C 57.817 0.023 1 666 136 136 TYR N N 121.159 0.000 1 667 137 137 GLU H H 8.190 0.001 1 668 137 137 GLU N N 124.696 0.000 1 669 138 138 PRO HA H 4.329 0.005 1 670 138 138 PRO C C 176.859 0.009 1 671 138 138 PRO CA C 62.885 0.040 1 672 139 139 GLU H H 8.538 0.002 1 673 139 139 GLU HA H 4.276 0.000 1 674 139 139 GLU C C 175.276 0.000 1 675 139 139 GLU CA C 55.988 0.000 1 676 139 139 GLU N N 121.259 0.000 1 677 140 140 ALA H H 8.155 0.000 1 678 140 140 ALA HA H 4.135 0.000 1 679 140 140 ALA C C 182.063 0.000 1 680 140 140 ALA CA C 53.456 0.000 1 681 140 140 ALA N N 130.499 0.000 1 stop_ save_ save_assigned_chem_shif_list_13 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_4.67 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.129 0.002 1 2 1 1 MET C C 171.863 0.001 1 3 1 1 MET CA C 54.956 0.027 1 4 2 2 ASP H H 8.857 0.002 1 5 2 2 ASP HA H 4.717 0.000 1 6 2 2 ASP C C 175.769 0.000 1 7 2 2 ASP CA C 54.108 0.030 1 8 2 2 ASP N N 124.839 0.000 1 9 3 3 VAL H H 8.360 0.002 1 10 3 3 VAL HA H 4.020 0.000 1 11 3 3 VAL C C 175.913 0.004 1 12 3 3 VAL CA C 62.521 0.000 1 13 3 3 VAL N N 120.776 0.000 1 14 4 4 PHE H H 8.435 0.001 1 15 4 4 PHE HA H 4.607 0.003 1 16 4 4 PHE C C 175.852 0.019 1 17 4 4 PHE CA C 57.904 0.047 1 18 4 4 PHE N N 123.902 0.000 1 19 5 5 MET H H 8.299 0.002 1 20 5 5 MET HA H 4.389 0.003 1 21 5 5 MET C C 175.934 0.001 1 22 5 5 MET CA C 55.237 0.068 1 23 5 5 MET N N 122.645 0.000 1 24 6 6 LYS H H 8.357 0.001 1 25 6 6 LYS HA H 4.196 0.005 1 26 6 6 LYS C C 177.176 0.006 1 27 6 6 LYS CA C 56.911 0.033 1 28 6 6 LYS N N 122.918 0.000 1 29 7 7 GLY H H 8.492 0.002 1 30 7 7 GLY HA2 H 3.940 0.000 1 31 7 7 GLY HA3 H 3.940 0.000 1 32 7 7 GLY C C 174.181 0.010 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.056 0.000 1 35 8 8 LEU H H 8.144 0.001 1 36 8 8 LEU HA H 4.383 0.004 1 37 8 8 LEU C C 177.707 0.005 1 38 8 8 LEU CA C 55.130 0.014 1 39 8 8 LEU N N 121.674 0.000 1 40 9 9 SER H H 8.404 0.001 1 41 9 9 SER HA H 4.409 0.000 1 42 9 9 SER C C 174.618 0.004 1 43 9 9 SER CA C 58.370 0.033 1 44 9 9 SER N N 116.931 0.000 1 45 10 10 LYS H H 8.462 0.001 1 46 10 10 LYS HA H 4.356 0.000 1 47 10 10 LYS C C 176.746 0.005 1 48 10 10 LYS CA C 56.407 0.000 1 49 10 10 LYS N N 123.823 0.000 1 50 11 11 ALA H H 8.378 0.002 1 51 11 11 ALA HA H 4.247 0.000 1 52 11 11 ALA C C 178.000 0.000 1 53 11 11 ALA CA C 52.753 0.000 1 54 11 11 ALA N N 125.451 0.000 1 55 12 12 LYS H H 8.420 0.001 1 56 12 12 LYS HA H 4.255 0.000 1 57 12 12 LYS C C 176.784 0.003 1 58 12 12 LYS CA C 56.450 0.000 1 59 12 12 LYS N N 121.030 0.000 1 60 13 13 GLU H H 8.500 0.002 1 61 13 13 GLU C C 177.028 0.000 1 62 13 13 GLU CA C 56.534 0.000 1 63 13 13 GLU N N 122.018 0.000 1 64 14 14 GLY H H 8.537 0.008 1 65 14 14 GLY C C 174.082 0.000 1 66 14 14 GLY CA C 45.306 0.000 1 67 14 14 GLY N N 110.276 0.000 1 68 15 15 VAL H H 8.058 0.003 1 69 15 15 VAL HA H 4.076 0.000 1 70 15 15 VAL C C 176.586 0.012 1 71 15 15 VAL CA C 62.675 0.000 1 72 15 15 VAL N N 120.348 0.000 1 73 16 16 VAL H H 8.377 0.003 1 74 16 16 VAL C C 176.118 0.000 1 75 16 16 VAL CA C 62.567 0.000 1 76 16 16 VAL N N 125.451 0.000 1 77 17 17 ALA H H 8.527 0.001 1 78 17 17 ALA HA H 4.252 0.000 1 79 17 17 ALA C C 177.817 0.000 1 80 17 17 ALA CA C 52.651 0.000 1 81 17 17 ALA N N 128.581 0.000 1 82 18 18 ALA H H 8.394 0.000 1 83 18 18 ALA HA H 4.227 0.000 1 84 18 18 ALA C C 178.012 0.003 1 85 18 18 ALA CA C 52.791 0.000 1 86 18 18 ALA N N 123.791 0.000 1 87 19 19 ALA H H 8.346 0.001 1 88 19 19 ALA HA H 4.257 0.000 1 89 19 19 ALA C C 178.296 0.001 1 90 19 19 ALA CA C 52.816 0.000 1 91 19 19 ALA N N 123.199 0.000 1 92 20 20 GLU H H 8.385 0.002 1 93 20 20 GLU C C 176.923 0.000 1 94 20 20 GLU CA C 56.653 0.000 1 95 20 20 GLU N N 120.184 0.000 1 96 21 21 LYS H H 8.413 0.002 1 97 21 21 LYS HA H 4.318 0.000 1 98 21 21 LYS C C 177.237 0.003 1 99 21 21 LYS CA C 56.797 0.000 1 100 21 21 LYS N N 122.507 0.000 1 101 22 22 THR H H 8.214 0.000 1 102 22 22 THR HA H 4.277 0.000 1 103 22 22 THR C C 174.743 0.018 1 104 22 22 THR CA C 62.263 0.000 1 105 22 22 THR N N 115.564 0.000 1 106 23 23 LYS H H 8.438 0.003 1 107 23 23 LYS HA H 4.288 0.000 1 108 23 23 LYS C C 176.791 0.002 1 109 23 23 LYS CA C 56.804 0.000 1 110 23 23 LYS N N 123.902 0.000 1 111 24 24 GLN H H 8.509 0.002 1 112 24 24 GLN HA H 4.299 0.000 1 113 24 24 GLN C C 176.689 0.003 1 114 24 24 GLN CA C 56.310 0.000 1 115 24 24 GLN N N 121.977 0.000 1 116 25 25 GLY H H 8.551 0.001 1 117 25 25 GLY HA2 H 3.978 0.000 1 118 25 25 GLY HA3 H 3.978 0.000 1 119 25 25 GLY C C 174.333 0.000 1 120 25 25 GLY CA C 45.392 0.000 1 121 25 25 GLY N N 110.652 0.000 1 122 26 26 VAL H H 8.093 0.002 1 123 26 26 VAL HA H 4.057 0.000 1 124 26 26 VAL C C 176.462 0.003 1 125 26 26 VAL CA C 62.689 0.000 1 126 26 26 VAL N N 120.008 0.000 1 127 27 27 ALA H H 8.497 0.001 1 128 27 27 ALA HA H 4.285 0.000 1 129 27 27 ALA C C 178.219 0.002 1 130 27 27 ALA CA C 52.867 0.000 1 131 27 27 ALA N N 127.517 0.000 1 132 28 28 GLU H H 8.464 0.001 1 133 28 28 GLU HA H 4.210 0.000 1 134 28 28 GLU C C 176.651 0.004 1 135 28 28 GLU CA C 56.684 0.000 1 136 28 28 GLU N N 120.614 0.000 1 137 29 29 ALA H H 8.379 0.003 1 138 29 29 ALA HA H 4.257 0.000 1 139 29 29 ALA C C 177.814 0.005 1 140 29 29 ALA CA C 52.745 0.000 1 141 29 29 ALA N N 125.148 0.000 1 142 30 30 ALA H H 8.316 0.001 1 143 30 30 ALA HA H 4.287 0.000 1 144 30 30 ALA C C 178.562 0.005 1 145 30 30 ALA CA C 52.807 0.000 1 146 30 30 ALA N N 123.212 0.000 1 147 31 31 GLY H H 8.389 0.004 1 148 31 31 GLY HA2 H 3.926 0.000 1 149 31 31 GLY HA3 H 3.926 0.000 1 150 31 31 GLY C C 174.269 0.003 1 151 31 31 GLY CA C 45.342 0.000 1 152 31 31 GLY N N 107.890 0.000 1 153 32 32 LYS H H 8.185 0.002 1 154 32 32 LYS HA H 4.418 0.000 1 155 32 32 LYS C C 177.093 0.002 1 156 32 32 LYS CA C 56.258 0.016 1 157 32 32 LYS N N 120.803 0.000 1 158 33 33 THR H H 8.300 0.003 1 159 33 33 THR HA H 4.330 0.000 1 160 33 33 THR C C 174.709 0.004 1 161 33 33 THR CA C 62.001 0.000 1 162 33 33 THR N N 115.794 0.000 1 163 34 34 LYS H H 8.552 0.001 1 164 34 34 LYS C C 176.577 0.000 1 165 34 34 LYS CA C 56.525 0.000 1 166 34 34 LYS N N 124.052 0.000 1 167 35 35 GLU H H 8.511 0.000 1 168 35 35 GLU HA H 4.277 0.000 1 169 35 35 GLU C C 176.912 0.001 1 170 35 35 GLU CA C 56.470 0.000 1 171 35 35 GLU N N 121.937 0.000 1 172 36 36 GLY H H 8.510 0.005 1 173 36 36 GLY HA2 H 3.951 0.000 1 174 36 36 GLY HA3 H 3.951 0.000 1 175 36 36 GLY C C 174.045 0.008 1 176 36 36 GLY CA C 45.253 0.000 1 177 36 36 GLY N N 110.242 0.000 1 178 37 37 VAL H H 8.004 0.003 1 179 37 37 VAL HA H 4.054 0.000 1 180 37 37 VAL C C 176.007 0.005 1 181 37 37 VAL CA C 62.379 0.000 1 182 37 37 VAL N N 119.713 0.000 1 183 38 38 LEU H H 8.370 0.000 1 184 38 38 LEU HA H 4.318 0.028 1 185 38 38 LEU C C 176.703 0.002 1 186 38 38 LEU CA C 54.954 0.023 1 187 38 38 LEU N N 126.013 0.000 1 188 39 39 TYR H H 8.359 0.003 1 189 39 39 TYR HA H 4.569 0.000 1 190 39 39 TYR C C 175.633 0.002 1 191 39 39 TYR CA C 57.930 0.020 1 192 39 39 TYR N N 122.737 0.000 1 193 40 40 VAL H H 8.154 0.002 1 194 40 40 VAL HA H 4.051 0.000 1 195 40 40 VAL C C 176.167 0.011 1 196 40 40 VAL CA C 62.203 0.000 1 197 40 40 VAL N N 123.658 0.000 1 198 41 41 GLY H H 8.103 0.001 1 199 41 41 GLY HA2 H 3.929 0.000 1 200 41 41 GLY HA3 H 3.929 0.000 1 201 41 41 GLY C C 173.985 0.001 1 202 41 41 GLY CA C 45.131 0.000 1 203 41 41 GLY N N 112.307 0.000 1 204 42 42 SER H H 8.329 0.002 1 205 42 42 SER HA H 4.440 0.001 1 206 42 42 SER C C 174.870 0.002 1 207 42 42 SER CA C 58.379 0.037 1 208 42 42 SER N N 115.687 0.000 1 209 43 43 LYS H H 8.567 0.001 1 210 43 43 LYS HA H 4.410 0.003 1 211 43 43 LYS C C 176.953 0.004 1 212 43 43 LYS CA C 56.438 0.031 1 213 43 43 LYS N N 123.623 0.000 1 214 44 44 THR H H 8.242 0.000 1 215 44 44 THR HA H 4.310 0.000 1 216 44 44 THR C C 174.608 0.007 1 217 44 44 THR CA C 61.979 0.000 1 218 44 44 THR N N 115.732 0.000 1 219 45 45 LYS H H 8.505 0.002 1 220 45 45 LYS HA H 4.289 0.000 1 221 45 45 LYS C C 176.582 0.001 1 222 45 45 LYS CA C 56.482 0.000 1 223 45 45 LYS N N 124.023 0.000 1 224 46 46 GLU H H 8.526 0.001 1 225 46 46 GLU HA H 4.277 0.000 1 226 46 46 GLU C C 176.911 0.003 1 227 46 46 GLU CA C 56.464 0.000 1 228 46 46 GLU N N 122.291 0.000 1 229 47 47 GLY H H 8.509 0.006 1 230 47 47 GLY HA2 H 3.911 0.000 1 231 47 47 GLY HA3 H 3.911 0.000 1 232 47 47 GLY C C 173.888 0.002 1 233 47 47 GLY CA C 45.190 0.000 1 234 47 47 GLY N N 110.250 0.000 1 235 48 48 VAL H H 8.017 0.001 1 236 48 48 VAL HA H 4.088 0.000 1 237 48 48 VAL C C 176.176 0.007 1 238 48 48 VAL CA C 62.273 0.000 1 239 48 48 VAL N N 119.962 0.000 1 240 49 49 VAL H H 8.382 0.002 1 241 49 49 VAL HA H 4.054 0.000 1 242 49 49 VAL C C 176.000 0.003 1 243 49 49 VAL CA C 62.275 0.000 1 244 49 49 VAL N N 125.148 0.000 1 245 50 50 HIS H H 8.801 0.001 1 246 50 50 HIS HA H 4.730 0.003 1 247 50 50 HIS C C 174.751 0.007 1 248 50 50 HIS CA C 55.137 0.036 1 249 50 50 HIS N N 123.532 0.000 1 250 51 51 GLY H H 8.563 0.001 1 251 51 51 GLY HA2 H 3.994 0.000 1 252 51 51 GLY HA3 H 3.994 0.000 1 253 51 51 GLY C C 173.744 0.003 1 254 51 51 GLY CA C 45.059 0.000 1 255 51 51 GLY N N 110.741 0.000 1 256 52 52 VAL H H 8.191 0.003 1 257 52 52 VAL HA H 4.147 0.004 1 258 52 52 VAL C C 176.004 0.002 1 259 52 52 VAL CA C 61.980 0.034 1 260 52 52 VAL N N 119.759 0.000 1 261 53 53 ALA H H 8.586 0.002 1 262 53 53 ALA HA H 4.406 0.000 1 263 53 53 ALA C C 177.892 0.004 1 264 53 53 ALA CA C 52.401 0.020 1 265 53 53 ALA N N 128.497 0.000 1 266 54 54 THR H H 8.313 0.002 1 267 54 54 THR HA H 4.310 0.000 1 268 54 54 THR C C 174.605 0.003 1 269 54 54 THR CA C 61.847 0.000 1 270 54 54 THR N N 115.123 0.000 1 271 55 55 VAL H H 8.338 0.001 1 272 55 55 VAL C C 175.965 0.000 1 273 55 55 VAL CA C 62.501 0.000 1 274 55 55 VAL N N 123.285 0.000 1 275 56 56 ALA H H 8.512 0.001 1 276 56 56 ALA HA H 4.284 0.000 1 277 56 56 ALA C C 177.881 0.005 1 278 56 56 ALA CA C 52.651 0.000 1 279 56 56 ALA N N 128.181 0.000 1 280 57 57 GLU H H 8.436 0.006 1 281 57 57 GLU C C 176.732 0.000 1 282 57 57 GLU CA C 56.470 0.000 1 283 57 57 GLU N N 120.940 0.000 1 284 58 58 LYS H H 8.522 0.003 1 285 58 58 LYS HA H 4.337 0.000 1 286 58 58 LYS C C 177.083 0.003 1 287 58 58 LYS CA C 56.601 0.000 1 288 58 58 LYS N N 122.983 0.000 1 289 59 59 THR H H 8.283 0.001 1 290 59 59 THR HA H 4.277 0.000 1 291 59 59 THR C C 174.710 0.014 1 292 59 59 THR CA C 62.276 0.000 1 293 59 59 THR N N 116.132 0.000 1 294 60 60 LYS H H 8.453 0.007 1 295 60 60 LYS HA H 4.276 0.000 1 296 60 60 LYS C C 176.773 0.003 1 297 60 60 LYS CA C 56.674 0.000 1 298 60 60 LYS N N 123.824 0.000 1 299 61 61 GLU H H 8.491 0.000 1 300 61 61 GLU C C 176.403 0.000 1 301 61 61 GLU CA C 56.519 0.000 1 302 61 61 GLU N N 122.025 0.000 1 303 62 62 GLN H H 8.498 0.004 1 304 62 62 GLN HA H 4.340 0.000 1 305 62 62 GLN C C 176.010 0.002 1 306 62 62 GLN CA C 55.841 0.000 1 307 62 62 GLN N N 122.319 0.000 1 308 63 63 VAL H H 8.367 0.002 1 309 63 63 VAL HA H 4.184 0.004 1 310 63 63 VAL C C 176.399 0.006 1 311 63 63 VAL CA C 62.356 0.030 1 312 63 63 VAL N N 122.138 0.000 1 313 64 64 THR H H 8.383 0.002 1 314 64 64 THR HA H 4.360 0.000 1 315 64 64 THR C C 174.079 0.003 1 316 64 64 THR CA C 61.808 0.000 1 317 64 64 THR N N 118.346 0.000 1 318 65 65 ASN H H 8.600 0.002 1 319 65 65 ASN HA H 4.780 0.000 1 320 65 65 ASN C C 175.311 0.000 1 321 65 65 ASN CA C 53.109 0.004 1 322 65 65 ASN N N 121.976 0.000 1 323 66 66 VAL H H 8.329 0.002 1 324 66 66 VAL HA H 4.119 0.001 1 325 66 66 VAL C C 176.934 0.000 1 326 66 66 VAL CA C 62.673 0.040 1 327 66 66 VAL N N 120.936 0.000 1 328 67 67 GLY H H 8.637 0.001 1 329 67 67 GLY HA2 H 3.968 0.000 1 330 67 67 GLY HA3 H 3.968 0.000 1 331 67 67 GLY C C 174.709 0.001 1 332 67 67 GLY CA C 45.359 0.000 1 333 67 67 GLY N N 112.811 0.000 1 334 68 68 GLY H H 8.305 0.004 1 335 68 68 GLY HA2 H 3.941 0.000 1 336 68 68 GLY HA3 H 3.941 0.000 1 337 68 68 GLY C C 173.759 0.005 1 338 68 68 GLY CA C 45.020 0.000 1 339 68 68 GLY N N 108.914 0.000 1 340 69 69 ALA H H 8.239 0.001 1 341 69 69 ALA HA H 4.347 0.004 1 342 69 69 ALA C C 177.719 0.001 1 343 69 69 ALA CA C 52.286 0.010 1 344 69 69 ALA N N 123.871 0.000 1 345 70 70 VAL H H 8.307 0.002 1 346 70 70 VAL HA H 4.089 0.000 1 347 70 70 VAL C C 176.393 0.003 1 348 70 70 VAL CA C 62.429 0.000 1 349 70 70 VAL N N 120.755 0.000 1 350 71 71 VAL H H 8.490 0.000 1 351 71 71 VAL HA H 4.214 0.002 1 352 71 71 VAL C C 176.344 0.002 1 353 71 71 VAL CA C 62.120 0.023 1 354 71 71 VAL N N 125.782 0.000 1 355 72 72 THR H H 8.397 0.002 1 356 72 72 THR HA H 4.357 0.000 1 357 72 72 THR C C 174.946 0.003 1 358 72 72 THR CA C 61.886 0.000 1 359 72 72 THR N N 118.970 0.000 1 360 73 73 GLY H H 8.514 0.002 1 361 73 73 GLY HA2 H 3.987 0.000 1 362 73 73 GLY HA3 H 3.987 0.000 1 363 73 73 GLY C C 174.042 0.003 1 364 73 73 GLY CA C 45.211 0.000 1 365 73 73 GLY N N 111.517 0.000 1 366 74 74 VAL H H 8.163 0.001 1 367 74 74 VAL HA H 4.188 0.001 1 368 74 74 VAL C C 176.627 0.000 1 369 74 74 VAL CA C 62.333 0.008 1 370 74 74 VAL N N 119.699 0.000 1 371 75 75 THR H H 8.387 0.004 1 372 75 75 THR HA H 4.303 0.000 1 373 75 75 THR C C 174.111 0.004 1 374 75 75 THR CA C 61.980 0.000 1 375 75 75 THR N N 119.295 0.000 1 376 76 76 ALA H H 8.460 0.001 1 377 76 76 ALA HA H 4.337 0.004 1 378 76 76 ALA C C 177.632 0.001 1 379 76 76 ALA CA C 52.440 0.011 1 380 76 76 ALA N N 127.628 0.000 1 381 77 77 VAL H H 8.238 0.001 1 382 77 77 VAL HA H 4.042 0.000 1 383 77 77 VAL C C 176.083 0.007 1 384 77 77 VAL CA C 62.267 0.000 1 385 77 77 VAL N N 120.369 0.000 1 386 78 78 ALA H H 8.496 0.000 1 387 78 78 ALA HA H 4.286 0.000 1 388 78 78 ALA C C 177.706 0.003 1 389 78 78 ALA CA C 52.502 0.000 1 390 78 78 ALA N N 128.401 0.000 1 391 79 79 GLN H H 8.481 0.001 1 392 79 79 GLN HA H 4.287 0.000 1 393 79 79 GLN C C 176.027 0.006 1 394 79 79 GLN CA C 55.699 0.000 1 395 79 79 GLN N N 120.572 0.000 1 396 80 80 LYS H H 8.520 0.000 1 397 80 80 LYS HA H 4.356 0.000 1 398 80 80 LYS C C 176.745 0.003 1 399 80 80 LYS CA C 56.372 0.000 1 400 80 80 LYS N N 123.482 0.000 1 401 81 81 THR H H 8.370 0.000 1 402 81 81 THR HA H 4.342 0.000 1 403 81 81 THR C C 174.466 0.009 1 404 81 81 THR CA C 61.987 0.000 1 405 81 81 THR N N 117.159 0.000 1 406 82 82 VAL H H 8.395 0.001 1 407 82 82 VAL HA H 4.109 0.000 1 408 82 82 VAL C C 176.196 0.001 1 409 82 82 VAL CA C 62.346 0.000 1 410 82 82 VAL N N 123.359 0.000 1 411 83 83 GLU H H 8.641 0.003 1 412 83 83 GLU HA H 4.280 0.000 1 413 83 83 GLU C C 176.960 0.003 1 414 83 83 GLU CA C 56.598 0.000 1 415 83 83 GLU N N 125.393 0.000 1 416 84 84 GLY H H 8.599 0.001 1 417 84 84 GLY HA2 H 3.953 0.000 1 418 84 84 GLY HA3 H 3.953 0.000 1 419 84 84 GLY C C 174.164 0.002 1 420 84 84 GLY CA C 45.247 0.000 1 421 84 84 GLY N N 110.897 0.000 1 422 85 85 ALA H H 8.348 0.001 1 423 85 85 ALA HA H 4.304 0.000 1 424 85 85 ALA C C 178.572 0.004 1 425 85 85 ALA CA C 52.926 0.000 1 426 85 85 ALA N N 124.058 0.000 1 427 86 86 GLY H H 8.579 0.002 1 428 86 86 GLY HA2 H 3.964 0.000 1 429 86 86 GLY HA3 H 3.964 0.000 1 430 86 86 GLY C C 174.339 0.004 1 431 86 86 GLY CA C 45.280 0.000 1 432 86 86 GLY N N 108.353 0.000 1 433 87 87 SER H H 8.215 0.001 1 434 87 87 SER HA H 4.459 0.001 1 435 87 87 SER C C 174.750 0.002 1 436 87 87 SER CA C 58.375 0.034 1 437 87 87 SER N N 115.801 0.000 1 438 88 88 ILE H H 8.272 0.001 1 439 88 88 ILE HA H 4.161 0.003 1 440 88 88 ILE C C 176.339 0.005 1 441 88 88 ILE CA C 61.295 0.040 1 442 88 88 ILE N N 122.945 0.000 1 443 89 89 ALA H H 8.431 0.001 1 444 89 89 ALA HA H 4.239 0.000 1 445 89 89 ALA C C 177.630 0.001 1 446 89 89 ALA CA C 52.620 0.000 1 447 89 89 ALA N N 128.254 0.000 1 448 90 90 ALA H H 8.293 0.001 1 449 90 90 ALA HA H 4.240 0.000 1 450 90 90 ALA C C 177.793 0.004 1 451 90 90 ALA CA C 52.443 0.000 1 452 90 90 ALA N N 123.498 0.000 1 453 91 91 ALA H H 8.370 0.001 1 454 91 91 ALA HA H 4.348 0.004 1 455 91 91 ALA C C 178.195 0.004 1 456 91 91 ALA CA C 52.633 0.011 1 457 91 91 ALA N N 123.596 0.000 1 458 92 92 THR H H 8.175 0.000 1 459 92 92 THR HA H 4.297 0.000 1 460 92 92 THR C C 175.203 0.005 1 461 92 92 THR CA C 62.035 0.000 1 462 92 92 THR N N 112.834 0.000 1 463 93 93 GLY H H 8.380 0.001 1 464 93 93 GLY HA2 H 3.905 0.000 1 465 93 93 GLY HA3 H 3.905 0.000 1 466 93 93 GLY C C 173.652 0.003 1 467 93 93 GLY CA C 45.145 0.000 1 468 93 93 GLY N N 110.817 0.000 1 469 94 94 PHE H H 8.162 0.001 1 470 94 94 PHE HA H 4.604 0.000 1 471 94 94 PHE C C 175.532 0.005 1 472 94 94 PHE CA C 57.852 0.005 1 473 94 94 PHE N N 120.433 0.000 1 474 95 95 VAL H H 8.131 0.001 1 475 95 95 VAL HA H 4.004 0.000 1 476 95 95 VAL C C 175.440 0.010 1 477 95 95 VAL CA C 62.044 0.000 1 478 95 95 VAL N N 123.985 0.000 1 479 96 96 LYS H H 8.473 0.002 1 480 96 96 LYS HA H 4.213 0.000 1 481 96 96 LYS C C 176.509 0.006 1 482 96 96 LYS CA C 56.442 0.000 1 483 96 96 LYS N N 126.635 0.000 1 484 97 97 LYS H H 8.548 0.001 1 485 97 97 LYS HA H 4.292 0.000 1 486 97 97 LYS C C 176.438 0.001 1 487 97 97 LYS CA C 56.504 0.000 1 488 97 97 LYS N N 123.904 0.000 1 489 98 98 ASP H H 8.511 0.001 1 490 98 98 ASP HA H 4.575 0.002 1 491 98 98 ASP C C 176.195 0.004 1 492 98 98 ASP CA C 54.248 0.016 1 493 98 98 ASP N N 121.220 0.000 1 494 99 99 GLN H H 8.436 0.001 1 495 99 99 GLN HA H 4.312 0.000 1 496 99 99 GLN C C 176.083 0.009 1 497 99 99 GLN CA C 55.907 0.000 1 498 99 99 GLN N N 120.394 0.000 1 499 100 100 LEU H H 8.359 0.001 1 500 100 100 LEU HA H 4.335 0.001 1 501 100 100 LEU C C 178.043 0.002 1 502 100 100 LEU CA C 55.355 0.020 1 503 100 100 LEU N N 122.875 0.000 1 504 101 101 GLY H H 8.529 0.002 1 505 101 101 GLY HA2 H 3.940 0.000 1 506 101 101 GLY HA3 H 3.940 0.000 1 507 101 101 GLY C C 174.171 0.001 1 508 101 101 GLY CA C 45.320 0.000 1 509 101 101 GLY N N 109.830 0.000 1 510 102 102 LYS H H 8.279 0.002 1 511 102 102 LYS HA H 4.307 0.000 1 512 102 102 LYS C C 176.547 0.001 1 513 102 102 LYS CA C 56.256 0.000 1 514 102 102 LYS N N 120.866 0.000 1 515 103 103 ASN H H 8.688 0.002 1 516 103 103 ASN HA H 4.690 0.001 1 517 103 103 ASN C C 175.409 0.015 1 518 103 103 ASN CA C 53.352 0.011 1 519 103 103 ASN N N 119.876 0.000 1 520 104 104 GLU H H 8.510 0.000 1 521 104 104 GLU HA H 4.312 0.000 1 522 104 104 GLU C C 176.442 0.001 1 523 104 104 GLU CA C 56.417 0.000 1 524 104 104 GLU N N 121.220 0.000 1 525 105 105 GLU H H 8.508 0.006 1 526 105 105 GLU C C 176.913 0.000 1 527 105 105 GLU CA C 56.381 0.000 1 528 105 105 GLU N N 121.612 0.000 1 529 106 106 GLY H H 8.499 0.008 1 530 106 106 GLY HA2 H 3.926 0.000 1 531 106 106 GLY HA3 H 3.926 0.000 1 532 106 106 GLY C C 173.448 0.003 1 533 106 106 GLY CA C 44.995 0.000 1 534 106 106 GLY N N 110.056 0.000 1 535 107 107 ALA H H 8.186 0.000 1 536 107 107 ALA N N 124.973 0.000 1 537 108 108 PRO HA H 4.420 0.001 1 538 108 108 PRO C C 177.096 0.005 1 539 108 108 PRO CA C 63.100 0.024 1 540 109 109 GLN H H 8.650 0.003 1 541 109 109 GLN HA H 4.286 0.000 1 542 109 109 GLN C C 176.036 0.001 1 543 109 109 GLN CA C 55.746 0.000 1 544 109 109 GLN N N 121.130 0.000 1 545 110 110 GLU H H 8.573 0.003 1 546 110 110 GLU HA H 4.332 0.000 1 547 110 110 GLU C C 176.735 0.000 1 548 110 110 GLU CA C 56.462 0.000 1 549 110 110 GLU N N 122.312 0.000 1 550 111 111 GLY H H 8.520 0.003 1 551 111 111 GLY HA2 H 3.938 0.000 1 552 111 111 GLY HA3 H 3.938 0.000 1 553 111 111 GLY C C 173.889 0.004 1 554 111 111 GLY CA C 45.268 0.000 1 555 111 111 GLY N N 110.241 0.000 1 556 112 112 ILE H H 8.045 0.001 1 557 112 112 ILE HA H 4.168 0.001 1 558 112 112 ILE C C 176.376 0.004 1 559 112 112 ILE CA C 61.025 0.028 1 560 112 112 ILE N N 120.137 0.000 1 561 113 113 LEU H H 8.457 0.002 1 562 113 113 LEU HA H 4.370 0.003 1 563 113 113 LEU C C 177.252 0.000 1 564 113 113 LEU CA C 55.142 0.021 1 565 113 113 LEU N N 126.661 0.000 1 566 114 114 GLU H H 8.448 0.002 1 567 114 114 GLU HA H 4.289 0.000 1 568 114 114 GLU C C 175.760 0.007 1 569 114 114 GLU CA C 56.114 0.000 1 570 114 114 GLU N N 121.748 0.000 1 571 115 115 ASP H H 8.438 0.004 1 572 115 115 ASP HA H 4.602 0.000 1 573 115 115 ASP C C 175.502 0.000 1 574 115 115 ASP CA C 53.864 0.009 1 575 115 115 ASP N N 120.964 0.000 1 576 116 116 MET H H 8.301 0.000 1 577 116 116 MET N N 121.987 0.000 1 578 117 117 PRO HA H 4.450 0.005 1 579 117 117 PRO C C 176.752 0.003 1 580 117 117 PRO CA C 62.864 0.037 1 581 118 118 VAL H H 8.371 0.008 1 582 118 118 VAL HA H 4.039 0.000 1 583 118 118 VAL C C 175.782 0.004 1 584 118 118 VAL CA C 62.074 0.000 1 585 118 118 VAL N N 120.987 0.000 1 586 119 119 ASP H H 8.619 0.001 1 587 119 119 ASP N N 125.581 0.000 1 588 120 120 PRO HA H 4.340 0.001 1 589 120 120 PRO C C 176.976 0.006 1 590 120 120 PRO CA C 63.584 0.039 1 591 121 121 ASP H H 8.438 0.002 1 592 121 121 ASP HA H 4.616 0.000 1 593 121 121 ASP C C 175.868 0.000 1 594 121 121 ASP CA C 54.166 0.017 1 595 121 121 ASP N N 118.707 0.000 1 596 122 122 ASN H H 8.184 0.002 1 597 122 122 ASN HA H 4.689 0.000 1 598 122 122 ASN C C 175.459 0.000 1 599 122 122 ASN CA C 53.383 0.041 1 600 122 122 ASN N N 119.126 0.000 1 601 123 123 GLU H H 8.382 0.001 1 602 123 123 GLU HA H 4.239 0.000 1 603 123 123 GLU C C 176.046 0.008 1 604 123 123 GLU CA C 56.294 0.000 1 605 123 123 GLU N N 121.244 0.000 1 606 124 124 ALA H H 8.299 0.002 1 607 124 124 ALA HA H 4.242 0.000 1 608 124 124 ALA C C 177.406 0.013 1 609 124 124 ALA CA C 52.601 0.000 1 610 124 124 ALA N N 124.204 0.000 1 611 125 125 TYR H H 8.059 0.002 1 612 125 125 TYR HA H 4.518 0.005 1 613 125 125 TYR C C 175.476 0.011 1 614 125 125 TYR CA C 57.805 0.034 1 615 125 125 TYR N N 119.298 0.000 1 616 126 126 GLU H H 8.101 0.002 1 617 126 126 GLU HA H 4.284 0.002 1 618 126 126 GLU C C 175.321 0.003 1 619 126 126 GLU CA C 55.329 0.034 1 620 126 126 GLU N N 122.985 0.000 1 621 127 127 MET H H 8.431 0.002 1 622 127 127 MET N N 123.484 0.000 1 623 128 128 PRO HA H 4.398 0.006 1 624 128 128 PRO C C 177.005 0.004 1 625 128 128 PRO CA C 63.213 0.031 1 626 129 129 SER H H 8.503 0.002 1 627 129 129 SER HA H 4.380 0.016 1 628 129 129 SER C C 174.935 0.011 1 629 129 129 SER CA C 58.428 0.014 1 630 129 129 SER N N 116.272 0.000 1 631 130 130 GLU H H 8.564 0.001 1 632 130 130 GLU HA H 4.335 0.000 1 633 130 130 GLU C C 176.379 0.002 1 634 130 130 GLU CA C 56.140 0.000 1 635 130 130 GLU N N 122.755 0.000 1 636 131 131 GLU H H 8.452 0.008 1 637 131 131 GLU HA H 4.270 0.000 1 638 131 131 GLU C C 176.806 0.001 1 639 131 131 GLU CA C 56.582 0.000 1 640 131 131 GLU N N 121.484 0.000 1 641 132 132 GLY H H 8.469 0.004 1 642 132 132 GLY HA2 H 3.891 0.000 1 643 132 132 GLY HA3 H 3.891 0.000 1 644 132 132 GLY C C 173.938 0.004 1 645 132 132 GLY CA C 45.184 0.000 1 646 132 132 GLY N N 110.055 0.000 1 647 133 133 TYR H H 8.109 0.002 1 648 133 133 TYR HA H 4.501 0.002 1 649 133 133 TYR C C 175.843 0.006 1 650 133 133 TYR CA C 58.181 0.037 1 651 133 133 TYR N N 120.298 0.000 1 652 134 134 GLN H H 8.301 0.000 1 653 134 134 GLN HA H 4.226 0.001 1 654 134 134 GLN C C 174.947 0.002 1 655 134 134 GLN CA C 55.478 0.021 1 656 134 134 GLN N N 122.645 0.000 1 657 135 135 ASP H H 8.327 0.003 1 658 135 135 ASP HA H 4.553 0.002 1 659 135 135 ASP C C 175.267 0.003 1 660 135 135 ASP CA C 53.788 0.021 1 661 135 135 ASP N N 121.134 0.000 1 662 136 136 TYR H H 8.161 0.001 1 663 136 136 TYR HA H 4.538 0.007 1 664 136 136 TYR C C 175.150 0.002 1 665 136 136 TYR CA C 57.768 0.031 1 666 136 136 TYR N N 121.167 0.000 1 667 137 137 GLU H H 8.214 0.001 1 668 137 137 GLU N N 124.884 0.000 1 669 138 138 PRO HA H 4.335 0.001 1 670 138 138 PRO C C 176.855 0.003 1 671 138 138 PRO CA C 62.883 0.026 1 672 139 139 GLU H H 8.552 0.000 1 673 139 139 GLU HA H 4.262 0.000 1 674 139 139 GLU C C 175.303 0.000 1 675 139 139 GLU CA C 56.109 0.000 1 676 139 139 GLU N N 121.353 0.000 1 677 140 140 ALA H H 8.131 0.001 1 678 140 140 ALA HA H 4.122 0.002 1 679 140 140 ALA C C 182.259 0.000 1 680 140 140 ALA CA C 53.587 0.000 1 681 140 140 ALA N N 130.713 0.000 1 stop_ save_ save_assigned_chem_shif_list_14 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_4.87 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.128 0.003 1 2 1 1 MET C C 171.867 0.004 1 3 1 1 MET CA C 54.956 0.026 1 4 2 2 ASP H H 8.854 0.000 1 5 2 2 ASP HA H 4.716 0.000 1 6 2 2 ASP C C 175.781 0.000 1 7 2 2 ASP CA C 54.142 0.025 1 8 3 3 VAL H H 8.359 0.000 1 9 3 3 VAL HA H 4.020 0.000 1 10 3 3 VAL C C 175.923 0.003 1 11 3 3 VAL CA C 62.511 0.000 1 12 4 4 PHE H H 8.436 0.000 1 13 4 4 PHE HA H 4.603 0.001 1 14 4 4 PHE C C 175.827 0.002 1 15 4 4 PHE CA C 57.906 0.050 1 16 5 5 MET H H 8.297 0.002 1 17 5 5 MET HA H 4.389 0.003 1 18 5 5 MET C C 175.930 0.002 1 19 5 5 MET CA C 55.235 0.065 1 20 6 6 LYS H H 8.357 0.000 1 21 6 6 LYS HA H 4.198 0.004 1 22 6 6 LYS C C 177.181 0.003 1 23 6 6 LYS CA C 56.880 0.065 1 24 7 7 GLY H H 8.494 0.002 1 25 7 7 GLY HA2 H 3.939 0.000 1 26 7 7 GLY HA3 H 3.939 0.000 1 27 7 7 GLY C C 174.181 0.010 1 28 7 7 GLY CA C 45.276 0.000 1 29 8 8 LEU H H 8.144 0.001 1 30 8 8 LEU HA H 4.382 0.001 1 31 8 8 LEU C C 177.713 0.001 1 32 8 8 LEU CA C 55.115 0.030 1 33 9 9 SER H H 8.404 0.001 1 34 9 9 SER HA H 4.408 0.001 1 35 9 9 SER C C 174.613 0.002 1 36 9 9 SER CA C 58.373 0.036 1 37 10 10 LYS H H 8.460 0.000 1 38 10 10 LYS HA H 4.364 0.000 1 39 10 10 LYS C C 176.749 0.003 1 40 10 10 LYS CA C 56.407 0.000 1 41 11 11 ALA H H 8.377 0.002 1 42 11 11 ALA HA H 4.247 0.000 1 43 11 11 ALA C C 177.996 0.003 1 44 11 11 ALA CA C 52.753 0.000 1 45 12 12 LYS H H 8.424 0.000 1 46 12 12 LYS HA H 4.253 0.000 1 47 12 12 LYS C C 176.776 0.005 1 48 12 12 LYS CA C 56.450 0.000 1 49 13 13 GLU H H 8.500 0.003 1 50 13 13 GLU C C 177.050 0.000 1 51 13 13 GLU CA C 56.538 0.000 1 52 14 14 GLY H H 8.537 0.005 1 53 14 14 GLY C C 174.078 0.000 1 54 14 14 GLY CA C 45.306 0.000 1 55 15 15 VAL H H 8.057 0.003 1 56 15 15 VAL HA H 4.082 0.000 1 57 15 15 VAL C C 176.582 0.004 1 58 15 15 VAL CA C 62.657 0.000 1 59 16 16 VAL H H 8.378 0.001 1 60 16 16 VAL C C 176.106 0.000 1 61 16 16 VAL CA C 62.569 0.000 1 62 17 17 ALA H H 8.529 0.001 1 63 17 17 ALA HA H 4.250 0.000 1 64 17 17 ALA C C 177.799 0.001 1 65 17 17 ALA CA C 52.641 0.000 1 66 18 18 ALA H H 8.393 0.001 1 67 18 18 ALA HA H 4.227 0.000 1 68 18 18 ALA C C 178.007 0.002 1 69 18 18 ALA CA C 52.783 0.000 1 70 19 19 ALA H H 8.351 0.001 1 71 19 19 ALA HA H 4.262 0.000 1 72 19 19 ALA C C 178.289 0.006 1 73 19 19 ALA CA C 52.827 0.000 1 74 20 20 GLU H H 8.393 0.000 1 75 20 20 GLU C C 176.955 0.000 1 76 20 20 GLU CA C 56.714 0.000 1 77 21 21 LYS H H 8.416 0.001 1 78 21 21 LYS HA H 4.326 0.000 1 79 21 21 LYS C C 177.243 0.001 1 80 21 21 LYS CA C 56.772 0.000 1 81 22 22 THR H H 8.213 0.000 1 82 22 22 THR HA H 4.273 0.000 1 83 22 22 THR C C 174.753 0.010 1 84 22 22 THR CA C 62.298 0.000 1 85 23 23 LYS H H 8.434 0.000 1 86 23 23 LYS HA H 4.288 0.000 1 87 23 23 LYS C C 176.791 0.002 1 88 23 23 LYS CA C 56.804 0.000 1 89 24 24 GLN H H 8.510 0.001 1 90 24 24 GLN HA H 4.299 0.000 1 91 24 24 GLN C C 176.687 0.005 1 92 24 24 GLN CA C 56.310 0.000 1 93 25 25 GLY H H 8.553 0.000 1 94 25 25 GLY HA2 H 3.978 0.000 1 95 25 25 GLY HA3 H 3.978 0.000 1 96 25 25 GLY C C 174.333 0.000 1 97 25 25 GLY CA C 45.383 0.000 1 98 26 26 VAL H H 8.094 0.001 1 99 26 26 VAL HA H 4.062 0.000 1 100 26 26 VAL C C 176.449 0.025 1 101 26 26 VAL CA C 62.686 0.000 1 102 27 27 ALA H H 8.500 0.003 1 103 27 27 ALA HA H 4.285 0.000 1 104 27 27 ALA C C 178.231 0.002 1 105 27 27 ALA CA C 52.858 0.000 1 106 28 28 GLU H H 8.469 0.001 1 107 28 28 GLU HA H 4.203 0.000 1 108 28 28 GLU C C 176.691 0.003 1 109 28 28 GLU CA C 56.747 0.000 1 110 29 29 ALA H H 8.379 0.002 1 111 29 29 ALA HA H 4.257 0.000 1 112 29 29 ALA C C 177.815 0.007 1 113 29 29 ALA CA C 52.727 0.000 1 114 30 30 ALA H H 8.315 0.002 1 115 30 30 ALA HA H 4.287 0.000 1 116 30 30 ALA C C 178.555 0.002 1 117 30 30 ALA CA C 52.807 0.000 1 118 31 31 GLY H H 8.386 0.001 1 119 31 31 GLY HA2 H 3.926 0.000 1 120 31 31 GLY HA3 H 3.926 0.000 1 121 31 31 GLY C C 174.258 0.004 1 122 31 31 GLY CA C 45.342 0.000 1 123 32 32 LYS H H 8.184 0.001 1 124 32 32 LYS HA H 4.418 0.000 1 125 32 32 LYS C C 177.091 0.003 1 126 32 32 LYS CA C 56.252 0.010 1 127 33 33 THR H H 8.301 0.001 1 128 33 33 THR HA H 4.331 0.000 1 129 33 33 THR C C 174.716 0.003 1 130 33 33 THR CA C 61.999 0.000 1 131 34 34 LYS H H 8.554 0.000 1 132 34 34 LYS C C 176.585 0.000 1 133 34 34 LYS CA C 56.527 0.000 1 134 35 35 GLU H H 8.515 0.001 1 135 35 35 GLU HA H 4.268 0.000 1 136 35 35 GLU C C 176.946 0.000 1 137 35 35 GLU CA C 56.521 0.000 1 138 36 36 GLY H H 8.514 0.001 1 139 36 36 GLY HA2 H 3.951 0.000 1 140 36 36 GLY HA3 H 3.951 0.000 1 141 36 36 GLY C C 174.050 0.007 1 142 36 36 GLY CA C 45.266 0.000 1 143 37 37 VAL H H 8.001 0.002 1 144 37 37 VAL HA H 4.055 0.000 1 145 37 37 VAL C C 176.010 0.006 1 146 37 37 VAL CA C 62.379 0.000 1 147 38 38 LEU H H 8.369 0.001 1 148 38 38 LEU HA H 4.318 0.028 1 149 38 38 LEU C C 176.699 0.012 1 150 38 38 LEU CA C 54.953 0.030 1 151 39 39 TYR H H 8.356 0.002 1 152 39 39 TYR HA H 4.574 0.002 1 153 39 39 TYR C C 175.625 0.008 1 154 39 39 TYR CA C 57.919 0.029 1 155 40 40 VAL H H 8.155 0.001 1 156 40 40 VAL HA H 4.055 0.000 1 157 40 40 VAL C C 176.166 0.011 1 158 40 40 VAL CA C 62.202 0.000 1 159 41 41 GLY H H 8.105 0.002 1 160 41 41 GLY HA2 H 3.929 0.000 1 161 41 41 GLY HA3 H 3.929 0.000 1 162 41 41 GLY C C 173.986 0.002 1 163 41 41 GLY CA C 45.131 0.000 1 164 42 42 SER H H 8.329 0.000 1 165 42 42 SER HA H 4.440 0.001 1 166 42 42 SER C C 174.855 0.004 1 167 42 42 SER CA C 58.371 0.030 1 168 43 43 LYS H H 8.568 0.000 1 169 43 43 LYS HA H 4.411 0.002 1 170 43 43 LYS C C 176.955 0.007 1 171 43 43 LYS CA C 56.435 0.029 1 172 44 44 THR H H 8.245 0.001 1 173 44 44 THR HA H 4.308 0.000 1 174 44 44 THR C C 174.615 0.006 1 175 44 44 THR CA C 61.968 0.000 1 176 45 45 LYS H H 8.509 0.001 1 177 45 45 LYS HA H 4.289 0.000 1 178 45 45 LYS C C 176.585 0.004 1 179 45 45 LYS CA C 56.484 0.000 1 180 46 46 GLU H H 8.532 0.000 1 181 46 46 GLU HA H 4.268 0.000 1 182 46 46 GLU C C 176.946 0.000 1 183 46 46 GLU CA C 56.521 0.000 1 184 47 47 GLY H H 8.513 0.002 1 185 47 47 GLY HA2 H 3.910 0.000 1 186 47 47 GLY HA3 H 3.910 0.000 1 187 47 47 GLY C C 173.902 0.002 1 188 47 47 GLY CA C 45.194 0.000 1 189 48 48 VAL H H 8.012 0.000 1 190 48 48 VAL HA H 4.088 0.000 1 191 48 48 VAL C C 176.169 0.002 1 192 48 48 VAL CA C 62.275 0.000 1 193 49 49 VAL H H 8.379 0.001 1 194 49 49 VAL HA H 4.055 0.000 1 195 49 49 VAL C C 176.001 0.003 1 196 49 49 VAL CA C 62.276 0.000 1 197 50 50 HIS H H 8.797 0.001 1 198 50 50 HIS HA H 4.727 0.004 1 199 50 50 HIS C C 174.757 0.010 1 200 50 50 HIS CA C 55.159 0.025 1 201 51 51 GLY H H 8.562 0.000 1 202 51 51 GLY HA2 H 3.994 0.000 1 203 51 51 GLY HA3 H 3.994 0.000 1 204 51 51 GLY C C 173.747 0.002 1 205 51 51 GLY CA C 45.059 0.000 1 206 52 52 VAL H H 8.190 0.001 1 207 52 52 VAL HA H 4.147 0.002 1 208 52 52 VAL C C 176.001 0.002 1 209 52 52 VAL CA C 61.977 0.036 1 210 53 53 ALA H H 8.585 0.002 1 211 53 53 ALA HA H 4.405 0.003 1 212 53 53 ALA C C 177.892 0.001 1 213 53 53 ALA CA C 52.406 0.015 1 214 54 54 THR H H 8.315 0.000 1 215 54 54 THR HA H 4.308 0.000 1 216 54 54 THR C C 174.606 0.004 1 217 54 54 THR CA C 61.856 0.000 1 218 55 55 VAL H H 8.340 0.000 1 219 55 55 VAL C C 175.954 0.000 1 220 55 55 VAL CA C 62.483 0.000 1 221 56 56 ALA H H 8.511 0.001 1 222 56 56 ALA HA H 4.280 0.000 1 223 56 56 ALA C C 177.876 0.004 1 224 56 56 ALA CA C 52.631 0.000 1 225 57 57 GLU H H 8.441 0.001 1 226 57 57 GLU C C 176.754 0.000 1 227 57 57 GLU CA C 56.521 0.000 1 228 58 58 LYS H H 8.518 0.002 1 229 58 58 LYS HA H 4.344 0.000 1 230 58 58 LYS C C 177.070 0.002 1 231 58 58 LYS CA C 56.568 0.000 1 232 59 59 THR H H 8.287 0.006 1 233 59 59 THR HA H 4.273 0.000 1 234 59 59 THR C C 174.696 0.000 1 235 59 59 THR CA C 62.227 0.000 1 236 60 60 LYS H H 8.462 0.000 1 237 60 60 LYS HA H 4.276 0.000 1 238 60 60 LYS C C 176.777 0.007 1 239 60 60 LYS CA C 56.682 0.000 1 240 61 61 GLU H H 8.500 0.001 1 241 61 61 GLU C C 176.484 0.000 1 242 61 61 GLU CA C 56.547 0.000 1 243 62 62 GLN H H 8.497 0.005 1 244 62 62 GLN HA H 4.340 0.000 1 245 62 62 GLN C C 176.015 0.001 1 246 62 62 GLN CA C 55.841 0.000 1 247 63 63 VAL H H 8.366 0.001 1 248 63 63 VAL HA H 4.187 0.002 1 249 63 63 VAL C C 176.411 0.002 1 250 63 63 VAL CA C 62.353 0.033 1 251 64 64 THR H H 8.384 0.001 1 252 64 64 THR HA H 4.359 0.000 1 253 64 64 THR C C 174.083 0.000 1 254 64 64 THR CA C 61.819 0.000 1 255 65 65 ASN H H 8.599 0.000 1 256 65 65 ASN HA H 4.782 0.000 1 257 65 65 ASN C C 175.313 0.000 1 258 65 65 ASN CA C 53.102 0.007 1 259 66 66 VAL H H 8.328 0.001 1 260 66 66 VAL HA H 4.117 0.002 1 261 66 66 VAL C C 176.937 0.000 1 262 66 66 VAL CA C 62.675 0.037 1 263 67 67 GLY H H 8.637 0.001 1 264 67 67 GLY HA2 H 3.968 0.000 1 265 67 67 GLY HA3 H 3.968 0.000 1 266 67 67 GLY C C 174.710 0.002 1 267 67 67 GLY CA C 45.359 0.000 1 268 68 68 GLY H H 8.303 0.001 1 269 68 68 GLY HA2 H 3.940 0.000 1 270 68 68 GLY HA3 H 3.940 0.000 1 271 68 68 GLY C C 173.761 0.004 1 272 68 68 GLY CA C 45.013 0.000 1 273 69 69 ALA H H 8.239 0.001 1 274 69 69 ALA HA H 4.348 0.004 1 275 69 69 ALA C C 177.721 0.001 1 276 69 69 ALA CA C 52.286 0.010 1 277 70 70 VAL H H 8.306 0.001 1 278 70 70 VAL HA H 4.085 0.000 1 279 70 70 VAL C C 176.407 0.006 1 280 70 70 VAL CA C 62.429 0.000 1 281 71 71 VAL H H 8.492 0.002 1 282 71 71 VAL HA H 4.213 0.003 1 283 71 71 VAL C C 176.345 0.003 1 284 71 71 VAL CA C 62.124 0.020 1 285 72 72 THR H H 8.396 0.002 1 286 72 72 THR HA H 4.358 0.000 1 287 72 72 THR C C 174.948 0.003 1 288 72 72 THR CA C 61.886 0.000 1 289 73 73 GLY H H 8.514 0.003 1 290 73 73 GLY HA2 H 3.987 0.000 1 291 73 73 GLY HA3 H 3.987 0.000 1 292 73 73 GLY C C 174.041 0.004 1 293 73 73 GLY CA C 45.211 0.000 1 294 74 74 VAL H H 8.163 0.002 1 295 74 74 VAL HA H 4.187 0.002 1 296 74 74 VAL C C 176.623 0.005 1 297 74 74 VAL CA C 62.331 0.010 1 298 75 75 THR H H 8.383 0.002 1 299 75 75 THR HA H 4.307 0.000 1 300 75 75 THR C C 174.112 0.004 1 301 75 75 THR CA C 61.980 0.000 1 302 76 76 ALA H H 8.460 0.001 1 303 76 76 ALA HA H 4.335 0.003 1 304 76 76 ALA C C 177.631 0.002 1 305 76 76 ALA CA C 52.415 0.031 1 306 77 77 VAL H H 8.237 0.001 1 307 77 77 VAL HA H 4.044 0.000 1 308 77 77 VAL C C 176.082 0.001 1 309 77 77 VAL CA C 62.267 0.000 1 310 78 78 ALA H H 8.497 0.001 1 311 78 78 ALA HA H 4.287 0.000 1 312 78 78 ALA C C 177.706 0.001 1 313 78 78 ALA CA C 52.504 0.000 1 314 79 79 GLN H H 8.481 0.001 1 315 79 79 GLN HA H 4.287 0.000 1 316 79 79 GLN C C 176.020 0.004 1 317 79 79 GLN CA C 55.698 0.000 1 318 80 80 LYS H H 8.521 0.001 1 319 80 80 LYS HA H 4.364 0.000 1 320 80 80 LYS C C 176.747 0.001 1 321 80 80 LYS CA C 56.372 0.000 1 322 81 81 THR H H 8.370 0.000 1 323 81 81 THR HA H 4.334 0.000 1 324 81 81 THR C C 174.478 0.000 1 325 81 81 THR CA C 61.987 0.000 1 326 82 82 VAL H H 8.396 0.001 1 327 82 82 VAL HA H 4.109 0.000 1 328 82 82 VAL C C 176.200 0.004 1 329 82 82 VAL CA C 62.338 0.000 1 330 83 83 GLU H H 8.646 0.000 1 331 83 83 GLU HA H 4.280 0.000 1 332 83 83 GLU C C 176.999 0.001 1 333 83 83 GLU CA C 56.661 0.000 1 334 84 84 GLY H H 8.601 0.000 1 335 84 84 GLY HA2 H 3.953 0.000 1 336 84 84 GLY HA3 H 3.953 0.000 1 337 84 84 GLY C C 174.169 0.003 1 338 84 84 GLY CA C 45.247 0.000 1 339 85 85 ALA H H 8.346 0.001 1 340 85 85 ALA HA H 4.304 0.000 1 341 85 85 ALA C C 178.572 0.004 1 342 85 85 ALA CA C 52.926 0.000 1 343 86 86 GLY H H 8.578 0.000 1 344 86 86 GLY HA2 H 3.964 0.000 1 345 86 86 GLY HA3 H 3.964 0.000 1 346 86 86 GLY C C 174.338 0.005 1 347 86 86 GLY CA C 45.280 0.000 1 348 87 87 SER H H 8.218 0.000 1 349 87 87 SER HA H 4.458 0.002 1 350 87 87 SER C C 174.751 0.003 1 351 87 87 SER CA C 58.373 0.035 1 352 88 88 ILE H H 8.274 0.001 1 353 88 88 ILE HA H 4.162 0.003 1 354 88 88 ILE C C 176.341 0.003 1 355 88 88 ILE CA C 61.291 0.037 1 356 89 89 ALA H H 8.431 0.001 1 357 89 89 ALA HA H 4.244 0.000 1 358 89 89 ALA C C 177.626 0.002 1 359 89 89 ALA CA C 52.612 0.000 1 360 90 90 ALA H H 8.295 0.000 1 361 90 90 ALA HA H 4.244 0.000 1 362 90 90 ALA C C 177.795 0.004 1 363 90 90 ALA CA C 52.453 0.000 1 364 91 91 ALA H H 8.375 0.003 1 365 91 91 ALA HA H 4.349 0.002 1 366 91 91 ALA C C 178.200 0.001 1 367 91 91 ALA CA C 52.627 0.005 1 368 92 92 THR H H 8.176 0.000 1 369 92 92 THR HA H 4.296 0.000 1 370 92 92 THR C C 175.208 0.002 1 371 92 92 THR CA C 62.035 0.000 1 372 93 93 GLY H H 8.381 0.000 1 373 93 93 GLY HA2 H 3.907 0.000 1 374 93 93 GLY HA3 H 3.907 0.000 1 375 93 93 GLY C C 173.649 0.003 1 376 93 93 GLY CA C 45.145 0.000 1 377 94 94 PHE H H 8.162 0.001 1 378 94 94 PHE HA H 4.603 0.000 1 379 94 94 PHE C C 175.531 0.004 1 380 94 94 PHE CA C 57.851 0.005 1 381 95 95 VAL H H 8.132 0.001 1 382 95 95 VAL HA H 4.005 0.000 1 383 95 95 VAL C C 175.438 0.005 1 384 95 95 VAL CA C 62.044 0.000 1 385 96 96 LYS H H 8.474 0.002 1 386 96 96 LYS HA H 4.212 0.000 1 387 96 96 LYS C C 176.508 0.007 1 388 96 96 LYS CA C 56.442 0.000 1 389 97 97 LYS H H 8.547 0.001 1 390 97 97 LYS HA H 4.291 0.000 1 391 97 97 LYS C C 176.420 0.004 1 392 97 97 LYS CA C 56.506 0.000 1 393 98 98 ASP H H 8.506 0.002 1 394 98 98 ASP HA H 4.569 0.004 1 395 98 98 ASP C C 176.212 0.003 1 396 98 98 ASP CA C 54.285 0.026 1 397 99 99 GLN H H 8.433 0.001 1 398 99 99 GLN HA H 4.311 0.000 1 399 99 99 GLN C C 176.089 0.002 1 400 99 99 GLN CA C 55.903 0.000 1 401 100 100 LEU H H 8.366 0.000 1 402 100 100 LEU HA H 4.333 0.002 1 403 100 100 LEU C C 178.047 0.001 1 404 100 100 LEU CA C 55.355 0.026 1 405 101 101 GLY H H 8.535 0.001 1 406 101 101 GLY HA2 H 3.939 0.000 1 407 101 101 GLY HA3 H 3.939 0.000 1 408 101 101 GLY C C 174.166 0.005 1 409 101 101 GLY CA C 45.320 0.000 1 410 102 102 LYS H H 8.279 0.002 1 411 102 102 LYS HA H 4.307 0.000 1 412 102 102 LYS C C 176.544 0.002 1 413 102 102 LYS CA C 56.253 0.000 1 414 103 103 ASN H H 8.691 0.001 1 415 103 103 ASN HA H 4.692 0.002 1 416 103 103 ASN C C 175.399 0.005 1 417 103 103 ASN CA C 53.344 0.005 1 418 104 104 GLU H H 8.523 0.001 1 419 104 104 GLU HA H 4.307 0.000 1 420 104 104 GLU C C 176.488 0.002 1 421 104 104 GLU CA C 56.443 0.000 1 422 105 105 GLU H H 8.511 0.002 1 423 105 105 GLU C C 176.959 0.000 1 424 105 105 GLU CA C 56.461 0.000 1 425 106 106 GLY H H 8.504 0.009 1 426 106 106 GLY HA2 H 3.926 0.000 1 427 106 106 GLY HA3 H 3.926 0.000 1 428 106 106 GLY C C 173.455 0.003 1 429 106 106 GLY CA C 44.995 0.000 1 430 107 107 ALA H H 8.186 0.001 1 431 108 108 PRO HA H 4.419 0.001 1 432 108 108 PRO C C 177.093 0.004 1 433 108 108 PRO CA C 63.098 0.017 1 434 109 109 GLN H H 8.654 0.001 1 435 109 109 GLN HA H 4.287 0.000 1 436 109 109 GLN C C 176.028 0.004 1 437 109 109 GLN CA C 55.732 0.000 1 438 110 110 GLU H H 8.581 0.000 1 439 110 110 GLU HA H 4.332 0.000 1 440 110 110 GLU C C 176.754 0.001 1 441 110 110 GLU CA C 56.482 0.000 1 442 111 111 GLY H H 8.515 0.001 1 443 111 111 GLY HA2 H 3.938 0.000 1 444 111 111 GLY HA3 H 3.938 0.000 1 445 111 111 GLY C C 173.872 0.003 1 446 111 111 GLY CA C 45.266 0.000 1 447 112 112 ILE H H 8.053 0.000 1 448 112 112 ILE HA H 4.169 0.001 1 449 112 112 ILE C C 176.375 0.001 1 450 112 112 ILE CA C 60.990 0.033 1 451 113 113 LEU H H 8.466 0.001 1 452 113 113 LEU HA H 4.375 0.001 1 453 113 113 LEU C C 177.239 0.000 1 454 113 113 LEU CA C 55.127 0.035 1 455 114 114 GLU H H 8.460 0.001 1 456 114 114 GLU HA H 4.283 0.000 1 457 114 114 GLU C C 175.791 0.001 1 458 114 114 GLU CA C 56.175 0.000 1 459 115 115 ASP H H 8.440 0.001 1 460 115 115 ASP HA H 4.593 0.000 1 461 115 115 ASP C C 175.592 0.000 1 462 115 115 ASP CA C 53.975 0.025 1 463 116 116 MET H H 8.311 0.001 1 464 117 117 PRO HA H 4.450 0.003 1 465 117 117 PRO C C 176.733 0.016 1 466 117 117 PRO CA C 62.883 0.038 1 467 118 118 VAL H H 8.378 0.003 1 468 118 118 VAL HA H 4.044 0.000 1 469 118 118 VAL C C 175.806 0.000 1 470 118 118 VAL CA C 62.058 0.000 1 471 119 119 ASP H H 8.619 0.000 1 472 120 120 PRO HA H 4.337 0.002 1 473 120 120 PRO C C 176.965 0.003 1 474 120 120 PRO CA C 63.549 0.043 1 475 121 121 ASP H H 8.442 0.000 1 476 121 121 ASP HA H 4.693 0.080 1 477 121 121 ASP C C 175.917 0.026 1 478 121 121 ASP CA C 54.247 0.025 1 479 122 122 ASN H H 8.184 0.001 1 480 122 122 ASN HA H 4.690 0.000 1 481 122 122 ASN C C 175.460 0.000 1 482 122 122 ASN CA C 53.382 0.042 1 483 123 123 GLU H H 8.395 0.001 1 484 123 123 GLU HA H 4.236 0.000 1 485 123 123 GLU C C 176.058 0.001 1 486 123 123 GLU CA C 56.262 0.000 1 487 124 124 ALA H H 8.302 0.000 1 488 124 124 ALA HA H 4.256 0.000 1 489 124 124 ALA C C 177.386 0.004 1 490 124 124 ALA CA C 52.549 0.000 1 491 125 125 TYR H H 8.070 0.001 1 492 125 125 TYR HA H 4.512 0.006 1 493 125 125 TYR C C 175.445 0.004 1 494 125 125 TYR CA C 57.809 0.032 1 495 126 126 GLU H H 8.119 0.000 1 496 126 126 GLU HA H 4.276 0.001 1 497 126 126 GLU C C 175.346 0.001 1 498 126 126 GLU CA C 55.360 0.022 1 499 127 127 MET H H 8.450 0.000 1 500 128 128 PRO HA H 4.407 0.007 1 501 128 128 PRO C C 176.995 0.005 1 502 128 128 PRO CA C 63.175 0.026 1 503 129 129 SER H H 8.522 0.002 1 504 129 129 SER HA H 4.396 0.000 1 505 129 129 SER C C 174.907 0.002 1 506 129 129 SER CA C 58.404 0.010 1 507 130 130 GLU H H 8.588 0.001 1 508 130 130 GLU HA H 4.326 0.000 1 509 130 130 GLU C C 176.416 0.008 1 510 130 130 GLU CA C 56.280 0.000 1 511 131 131 GLU H H 8.479 0.001 1 512 131 131 GLU HA H 4.255 0.000 1 513 131 131 GLU C C 176.852 0.001 1 514 131 131 GLU CA C 56.647 0.000 1 515 132 132 GLY H H 8.472 0.004 1 516 132 132 GLY HA2 H 3.890 0.000 1 517 132 132 GLY HA3 H 3.890 0.000 1 518 132 132 GLY C C 173.923 0.003 1 519 132 132 GLY CA C 45.165 0.000 1 520 133 133 TYR H H 8.117 0.002 1 521 133 133 TYR HA H 4.501 0.002 1 522 133 133 TYR C C 175.825 0.004 1 523 133 133 TYR CA C 58.184 0.039 1 524 134 134 GLN H H 8.298 0.001 1 525 134 134 GLN HA H 4.230 0.003 1 526 134 134 GLN C C 174.923 0.004 1 527 134 134 GLN CA C 55.438 0.022 1 528 135 135 ASP H H 8.323 0.001 1 529 135 135 ASP HA H 4.543 0.004 1 530 135 135 ASP C C 175.328 0.000 1 531 135 135 ASP CA C 53.876 0.024 1 532 136 136 TYR H H 8.158 0.002 1 533 136 136 TYR HA H 4.544 0.002 1 534 136 136 TYR C C 175.149 0.001 1 535 136 136 TYR CA C 57.733 0.026 1 536 137 137 GLU H H 8.235 0.001 1 537 138 138 PRO HA H 4.336 0.003 1 538 138 138 PRO C C 176.869 0.002 1 539 138 138 PRO CA C 62.874 0.034 1 540 139 139 GLU H H 8.563 0.001 1 541 139 139 GLU HA H 4.256 0.000 1 542 139 139 GLU C C 175.331 0.001 1 543 139 139 GLU CA C 56.200 0.000 1 544 140 140 ALA H H 8.117 0.002 1 545 140 140 ALA HA H 4.114 0.003 1 546 140 140 ALA C C 182.380 0.000 1 547 140 140 ALA CA C 53.649 0.000 1 stop_ save_ save_assigned_chem_shift_list_15 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_5.02 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.129 0.002 1 2 1 1 MET C C 171.879 0.002 1 3 1 1 MET CA C 54.968 0.034 1 4 2 2 ASP H H 8.851 0.002 1 5 2 2 ASP HA H 4.712 0.000 1 6 2 2 ASP C C 175.791 0.000 1 7 2 2 ASP CA C 54.157 0.032 1 8 2 2 ASP N N 124.883 0.000 1 9 3 3 VAL H H 8.358 0.002 1 10 3 3 VAL HA H 4.024 0.000 1 11 3 3 VAL C C 175.922 0.008 1 12 3 3 VAL CA C 62.549 0.000 1 13 3 3 VAL N N 120.740 0.000 1 14 4 4 PHE H H 8.436 0.002 1 15 4 4 PHE HA H 4.600 0.003 1 16 4 4 PHE C C 175.829 0.005 1 17 4 4 PHE CA C 57.916 0.060 1 18 4 4 PHE N N 123.907 0.000 1 19 5 5 MET H H 8.296 0.000 1 20 5 5 MET HA H 4.391 0.002 1 21 5 5 MET C C 175.931 0.001 1 22 5 5 MET CA C 55.267 0.032 1 23 5 5 MET N N 122.717 0.000 1 24 6 6 LYS H H 8.354 0.002 1 25 6 6 LYS HA H 4.199 0.003 1 26 6 6 LYS C C 177.178 0.008 1 27 6 6 LYS CA C 56.880 0.065 1 28 6 6 LYS N N 122.912 0.000 1 29 7 7 GLY H H 8.493 0.002 1 30 7 7 GLY HA2 H 3.938 0.000 1 31 7 7 GLY HA3 H 3.938 0.000 1 32 7 7 GLY C C 174.179 0.009 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.086 0.000 1 35 8 8 LEU H H 8.144 0.001 1 36 8 8 LEU HA H 4.381 0.002 1 37 8 8 LEU C C 177.707 0.007 1 38 8 8 LEU CA C 55.117 0.032 1 39 8 8 LEU N N 121.672 0.000 1 40 9 9 SER H H 8.403 0.002 1 41 9 9 SER HA H 4.409 0.001 1 42 9 9 SER C C 174.611 0.001 1 43 9 9 SER CA C 58.380 0.044 1 44 9 9 SER N N 116.918 0.000 1 45 10 10 LYS H H 8.458 0.001 1 46 10 10 LYS HA H 4.363 0.000 1 47 10 10 LYS C C 176.748 0.001 1 48 10 10 LYS CA C 56.407 0.000 1 49 10 10 LYS N N 123.827 0.000 1 50 11 11 ALA H H 8.380 0.003 1 51 11 11 ALA HA H 4.247 0.000 1 52 11 11 ALA C C 177.994 0.005 1 53 11 11 ALA CA C 52.735 0.000 1 54 11 11 ALA N N 125.514 0.000 1 55 12 12 LYS H H 8.424 0.002 1 56 12 12 LYS HA H 4.253 0.000 1 57 12 12 LYS C C 176.767 0.004 1 58 12 12 LYS CA C 56.450 0.000 1 59 12 12 LYS N N 121.044 0.000 1 60 13 13 GLU H H 8.497 0.001 1 61 13 13 GLU C C 177.060 0.000 1 62 13 13 GLU CA C 56.740 0.000 1 63 13 13 GLU N N 122.167 0.000 1 64 14 14 GLY H H 8.544 0.002 1 65 14 14 GLY C C 174.077 0.000 1 66 14 14 GLY CA C 45.301 0.000 1 67 14 14 GLY N N 110.289 0.000 1 68 15 15 VAL H H 8.058 0.001 1 69 15 15 VAL HA H 4.084 0.000 1 70 15 15 VAL C C 176.582 0.001 1 71 15 15 VAL CA C 62.654 0.000 1 72 15 15 VAL N N 120.335 0.000 1 73 16 16 VAL H H 8.379 0.002 1 74 16 16 VAL C C 176.100 0.000 1 75 16 16 VAL CA C 62.546 0.000 1 76 16 16 VAL N N 125.514 0.000 1 77 17 17 ALA H H 8.529 0.002 1 78 17 17 ALA HA H 4.250 0.000 1 79 17 17 ALA C C 177.794 0.004 1 80 17 17 ALA CA C 52.641 0.000 1 81 17 17 ALA N N 128.623 0.000 1 82 18 18 ALA H H 8.395 0.001 1 83 18 18 ALA HA H 4.226 0.000 1 84 18 18 ALA C C 177.997 0.002 1 85 18 18 ALA CA C 52.786 0.000 1 86 18 18 ALA N N 123.808 0.000 1 87 19 19 ALA H H 8.352 0.001 1 88 19 19 ALA HA H 4.264 0.000 1 89 19 19 ALA C C 178.289 0.005 1 90 19 19 ALA CA C 52.833 0.000 1 91 19 19 ALA N N 123.236 0.000 1 92 20 20 GLU H H 8.394 0.005 1 93 20 20 GLU C C 176.969 0.000 1 94 20 20 GLU CA C 56.741 0.000 1 95 20 20 GLU N N 120.227 0.000 1 96 21 21 LYS H H 8.417 0.001 1 97 21 21 LYS HA H 4.322 0.000 1 98 21 21 LYS C C 177.249 0.001 1 99 21 21 LYS CA C 56.780 0.000 1 100 21 21 LYS N N 122.484 0.000 1 101 22 22 THR H H 8.213 0.002 1 102 22 22 THR HA H 4.268 0.000 1 103 22 22 THR C C 174.757 0.003 1 104 22 22 THR CA C 62.371 0.000 1 105 22 22 THR N N 115.536 0.000 1 106 23 23 LYS H H 8.432 0.001 1 107 23 23 LYS HA H 4.289 0.000 1 108 23 23 LYS C C 176.775 0.000 1 109 23 23 LYS CA C 56.804 0.000 1 110 23 23 LYS N N 123.930 0.000 1 111 24 24 GLN H H 8.505 0.007 1 112 24 24 GLN HA H 4.297 0.000 1 113 24 24 GLN C C 176.682 0.004 1 114 24 24 GLN CA C 56.310 0.000 1 115 24 24 GLN N N 122.103 0.000 1 116 25 25 GLY H H 8.552 0.001 1 117 25 25 GLY HA2 H 3.978 0.000 1 118 25 25 GLY HA3 H 3.978 0.000 1 119 25 25 GLY C C 174.332 0.002 1 120 25 25 GLY CA C 45.384 0.000 1 121 25 25 GLY N N 110.679 0.000 1 122 26 26 VAL H H 8.095 0.001 1 123 26 26 VAL HA H 4.066 0.000 1 124 26 26 VAL C C 176.469 0.011 1 125 26 26 VAL CA C 62.686 0.000 1 126 26 26 VAL N N 120.009 0.000 1 127 27 27 ALA H H 8.499 0.001 1 128 27 27 ALA HA H 4.284 0.000 1 129 27 27 ALA C C 178.235 0.000 1 130 27 27 ALA CA C 52.854 0.000 1 131 27 27 ALA N N 127.517 0.000 1 132 28 28 GLU H H 8.471 0.001 1 133 28 28 GLU HA H 4.206 0.000 1 134 28 28 GLU C C 176.718 0.004 1 135 28 28 GLU CA C 56.800 0.000 1 136 28 28 GLU N N 120.667 0.000 1 137 29 29 ALA H H 8.379 0.004 1 138 29 29 ALA HA H 4.262 0.000 1 139 29 29 ALA C C 177.827 0.003 1 140 29 29 ALA CA C 52.727 0.000 1 141 29 29 ALA N N 125.148 0.000 1 142 30 30 ALA H H 8.315 0.002 1 143 30 30 ALA HA H 4.287 0.000 1 144 30 30 ALA C C 178.555 0.001 1 145 30 30 ALA CA C 52.807 0.000 1 146 30 30 ALA N N 123.185 0.000 1 147 31 31 GLY H H 8.387 0.001 1 148 31 31 GLY HA2 H 3.926 0.000 1 149 31 31 GLY HA3 H 3.926 0.000 1 150 31 31 GLY C C 174.256 0.002 1 151 31 31 GLY CA C 45.346 0.000 1 152 31 31 GLY N N 107.891 0.000 1 153 32 32 LYS H H 8.180 0.003 1 154 32 32 LYS HA H 4.417 0.000 1 155 32 32 LYS C C 177.089 0.002 1 156 32 32 LYS CA C 56.258 0.015 1 157 32 32 LYS N N 120.801 0.000 1 158 33 33 THR H H 8.307 0.004 1 159 33 33 THR HA H 4.332 0.000 1 160 33 33 THR C C 174.719 0.003 1 161 33 33 THR CA C 62.028 0.000 1 162 33 33 THR N N 115.781 0.000 1 163 34 34 LYS H H 8.554 0.001 1 164 34 34 LYS C C 176.585 0.000 1 165 34 34 LYS CA C 56.553 0.000 1 166 34 34 LYS N N 124.052 0.000 1 167 35 35 GLU H H 8.515 0.000 1 168 35 35 GLU HA H 4.264 0.000 1 169 35 35 GLU C C 176.971 0.002 1 170 35 35 GLU CA C 56.521 0.000 1 171 35 35 GLU N N 122.079 0.000 1 172 36 36 GLY H H 8.508 0.005 1 173 36 36 GLY HA2 H 3.951 0.000 1 174 36 36 GLY HA3 H 3.951 0.000 1 175 36 36 GLY C C 174.053 0.007 1 176 36 36 GLY CA C 45.273 0.000 1 177 36 36 GLY N N 110.318 0.000 1 178 37 37 VAL H H 7.997 0.002 1 179 37 37 VAL HA H 4.055 0.000 1 180 37 37 VAL C C 176.012 0.007 1 181 37 37 VAL CA C 62.377 0.000 1 182 37 37 VAL N N 119.737 0.000 1 183 38 38 LEU H H 8.367 0.001 1 184 38 38 LEU HA H 4.317 0.028 1 185 38 38 LEU C C 176.701 0.014 1 186 38 38 LEU CA C 54.956 0.044 1 187 38 38 LEU N N 126.042 0.000 1 188 39 39 TYR H H 8.358 0.002 1 189 39 39 TYR HA H 4.582 0.000 1 190 39 39 TYR C C 175.630 0.002 1 191 39 39 TYR CA C 57.922 0.026 1 192 39 39 TYR N N 122.683 0.000 1 193 40 40 VAL H H 8.153 0.000 1 194 40 40 VAL HA H 4.050 0.000 1 195 40 40 VAL C C 176.168 0.006 1 196 40 40 VAL CA C 62.202 0.000 1 197 40 40 VAL N N 123.666 0.000 1 198 41 41 GLY H H 8.103 0.002 1 199 41 41 GLY HA2 H 3.929 0.000 1 200 41 41 GLY HA3 H 3.929 0.000 1 201 41 41 GLY C C 173.986 0.002 1 202 41 41 GLY CA C 45.131 0.000 1 203 41 41 GLY N N 112.286 0.000 1 204 42 42 SER H H 8.328 0.001 1 205 42 42 SER HA H 4.441 0.001 1 206 42 42 SER C C 174.853 0.003 1 207 42 42 SER CA C 58.373 0.030 1 208 42 42 SER N N 115.690 0.000 1 209 43 43 LYS H H 8.564 0.001 1 210 43 43 LYS HA H 4.412 0.002 1 211 43 43 LYS C C 176.952 0.004 1 212 43 43 LYS CA C 56.451 0.044 1 213 43 43 LYS N N 123.623 0.000 1 214 44 44 THR H H 8.247 0.002 1 215 44 44 THR HA H 4.307 0.000 1 216 44 44 THR C C 174.620 0.004 1 217 44 44 THR CA C 61.968 0.000 1 218 44 44 THR N N 115.711 0.000 1 219 45 45 LYS H H 8.509 0.001 1 220 45 45 LYS HA H 4.289 0.000 1 221 45 45 LYS C C 176.586 0.003 1 222 45 45 LYS CA C 56.486 0.000 1 223 45 45 LYS N N 124.010 0.000 1 224 46 46 GLU H H 8.532 0.001 1 225 46 46 GLU HA H 4.264 0.000 1 226 46 46 GLU C C 176.974 0.000 1 227 46 46 GLU CA C 56.545 0.000 1 228 46 46 GLU N N 122.350 0.000 1 229 47 47 GLY H H 8.509 0.007 1 230 47 47 GLY HA2 H 3.903 0.000 1 231 47 47 GLY HA3 H 3.903 0.000 1 232 47 47 GLY C C 173.904 0.002 1 233 47 47 GLY CA C 45.194 0.000 1 234 47 47 GLY N N 110.317 0.000 1 235 48 48 VAL H H 8.010 0.002 1 236 48 48 VAL HA H 4.088 0.000 1 237 48 48 VAL C C 176.168 0.003 1 238 48 48 VAL CA C 62.275 0.000 1 239 48 48 VAL N N 119.967 0.000 1 240 49 49 VAL H H 8.380 0.002 1 241 49 49 VAL HA H 4.055 0.000 1 242 49 49 VAL C C 176.001 0.004 1 243 49 49 VAL CA C 62.292 0.000 1 244 49 49 VAL N N 125.148 0.000 1 245 50 50 HIS H H 8.795 0.001 1 246 50 50 HIS HA H 4.730 0.003 1 247 50 50 HIS C C 174.779 0.003 1 248 50 50 HIS CA C 55.184 0.029 1 249 50 50 HIS N N 123.571 0.000 1 250 51 51 GLY H H 8.562 0.000 1 251 51 51 GLY HA2 H 3.993 0.000 1 252 51 51 GLY HA3 H 3.993 0.000 1 253 51 51 GLY C C 173.745 0.004 1 254 51 51 GLY CA C 45.059 0.000 1 255 51 51 GLY N N 110.741 0.000 1 256 52 52 VAL H H 8.189 0.000 1 257 52 52 VAL HA H 4.147 0.002 1 258 52 52 VAL C C 176.000 0.003 1 259 52 52 VAL CA C 61.997 0.050 1 260 52 52 VAL N N 119.749 0.000 1 261 53 53 ALA H H 8.584 0.002 1 262 53 53 ALA HA H 4.407 0.001 1 263 53 53 ALA C C 177.889 0.003 1 264 53 53 ALA CA C 52.403 0.018 1 265 53 53 ALA N N 128.483 0.000 1 266 54 54 THR H H 8.316 0.001 1 267 54 54 THR HA H 4.307 0.000 1 268 54 54 THR C C 174.607 0.010 1 269 54 54 THR CA C 61.893 0.000 1 270 54 54 THR N N 115.145 0.000 1 271 55 55 VAL H H 8.338 0.001 1 272 55 55 VAL HA H 4.081 0.000 1 273 55 55 VAL C C 175.949 0.002 1 274 55 55 VAL CA C 62.466 0.000 1 275 55 55 VAL N N 123.318 0.000 1 276 56 56 ALA H H 8.514 0.002 1 277 56 56 ALA HA H 4.281 0.000 1 278 56 56 ALA C C 177.870 0.005 1 279 56 56 ALA CA C 52.604 0.000 1 280 56 56 ALA N N 128.232 0.000 1 281 57 57 GLU H H 8.444 0.005 1 282 57 57 GLU C C 176.759 0.000 1 283 57 57 GLU CA C 56.521 0.000 1 284 57 57 GLU N N 121.009 0.000 1 285 58 58 LYS H H 8.520 0.004 1 286 58 58 LYS HA H 4.345 0.000 1 287 58 58 LYS C C 177.072 0.009 1 288 58 58 LYS CA C 56.579 0.000 1 289 58 58 LYS N N 123.029 0.000 1 290 59 59 THR H H 8.294 0.000 1 291 59 59 THR HA H 4.270 0.000 1 292 59 59 THR C C 174.700 0.005 1 293 59 59 THR CA C 62.221 0.000 1 294 59 59 THR N N 116.195 0.000 1 295 60 60 LYS H H 8.465 0.000 1 296 60 60 LYS HA H 4.275 0.000 1 297 60 60 LYS C C 176.791 0.004 1 298 60 60 LYS CA C 56.684 0.000 1 299 60 60 LYS N N 123.831 0.000 1 300 61 61 GLU H H 8.508 0.001 1 301 61 61 GLU C C 176.527 0.000 1 302 61 61 GLU CA C 56.602 0.000 1 303 61 61 GLU N N 122.145 0.000 1 304 62 62 GLN H H 8.514 0.002 1 305 62 62 GLN HA H 4.340 0.000 1 306 62 62 GLN C C 176.017 0.003 1 307 62 62 GLN CA C 55.841 0.000 1 308 62 62 GLN N N 122.368 0.000 1 309 63 63 VAL H H 8.367 0.002 1 310 63 63 VAL HA H 4.185 0.003 1 311 63 63 VAL C C 176.409 0.006 1 312 63 63 VAL CA C 62.353 0.033 1 313 63 63 VAL N N 122.171 0.000 1 314 64 64 THR H H 8.385 0.001 1 315 64 64 THR HA H 4.363 0.000 1 316 64 64 THR C C 174.087 0.000 1 317 64 64 THR CA C 61.830 0.000 1 318 64 64 THR N N 118.362 0.000 1 319 65 65 ASN H H 8.599 0.001 1 320 65 65 ASN HA H 4.778 0.000 1 321 65 65 ASN C C 175.310 0.000 1 322 65 65 ASN CA C 53.110 0.008 1 323 65 65 ASN N N 121.983 0.000 1 324 66 66 VAL H H 8.328 0.002 1 325 66 66 VAL HA H 4.117 0.002 1 326 66 66 VAL C C 176.940 0.005 1 327 66 66 VAL CA C 62.681 0.042 1 328 66 66 VAL N N 120.953 0.000 1 329 67 67 GLY H H 8.637 0.002 1 330 67 67 GLY HA2 H 3.966 0.000 1 331 67 67 GLY HA3 H 3.966 0.000 1 332 67 67 GLY C C 174.711 0.002 1 333 67 67 GLY CA C 45.359 0.000 1 334 67 67 GLY N N 112.820 0.000 1 335 68 68 GLY H H 8.303 0.001 1 336 68 68 GLY HA2 H 3.941 0.000 1 337 68 68 GLY HA3 H 3.941 0.000 1 338 68 68 GLY C C 173.762 0.003 1 339 68 68 GLY CA C 45.007 0.000 1 340 68 68 GLY N N 108.925 0.000 1 341 69 69 ALA H H 8.238 0.001 1 342 69 69 ALA HA H 4.345 0.003 1 343 69 69 ALA C C 177.719 0.001 1 344 69 69 ALA CA C 52.308 0.013 1 345 69 69 ALA N N 123.872 0.000 1 346 70 70 VAL H H 8.306 0.001 1 347 70 70 VAL HA H 4.084 0.000 1 348 70 70 VAL C C 176.407 0.009 1 349 70 70 VAL CA C 62.429 0.000 1 350 70 70 VAL N N 120.776 0.000 1 351 71 71 VAL H H 8.489 0.001 1 352 71 71 VAL HA H 4.214 0.001 1 353 71 71 VAL C C 176.350 0.003 1 354 71 71 VAL CA C 62.127 0.018 1 355 71 71 VAL N N 125.782 0.000 1 356 72 72 THR H H 8.396 0.002 1 357 72 72 THR HA H 4.357 0.000 1 358 72 72 THR C C 174.945 0.006 1 359 72 72 THR CA C 61.886 0.000 1 360 72 72 THR N N 118.961 0.000 1 361 73 73 GLY H H 8.515 0.002 1 362 73 73 GLY HA2 H 3.987 0.000 1 363 73 73 GLY HA3 H 3.987 0.000 1 364 73 73 GLY C C 174.040 0.001 1 365 73 73 GLY CA C 45.211 0.000 1 366 73 73 GLY N N 111.509 0.000 1 367 74 74 VAL H H 8.163 0.001 1 368 74 74 VAL HA H 4.185 0.003 1 369 74 74 VAL C C 176.624 0.003 1 370 74 74 VAL CA C 62.331 0.010 1 371 74 74 VAL N N 119.699 0.000 1 372 75 75 THR H H 8.385 0.003 1 373 75 75 THR HA H 4.303 0.000 1 374 75 75 THR C C 174.114 0.001 1 375 75 75 THR CA C 61.980 0.000 1 376 75 75 THR N N 119.313 0.000 1 377 76 76 ALA H H 8.461 0.000 1 378 76 76 ALA HA H 4.340 0.001 1 379 76 76 ALA C C 177.630 0.002 1 380 76 76 ALA CA C 52.454 0.013 1 381 76 76 ALA N N 127.647 0.000 1 382 77 77 VAL H H 8.237 0.002 1 383 77 77 VAL HA H 4.048 0.000 1 384 77 77 VAL C C 176.077 0.003 1 385 77 77 VAL CA C 62.267 0.000 1 386 77 77 VAL N N 120.375 0.000 1 387 78 78 ALA H H 8.497 0.001 1 388 78 78 ALA HA H 4.284 0.000 1 389 78 78 ALA C C 177.702 0.003 1 390 78 78 ALA CA C 52.502 0.000 1 391 78 78 ALA N N 128.420 0.000 1 392 79 79 GLN H H 8.481 0.001 1 393 79 79 GLN HA H 4.291 0.000 1 394 79 79 GLN C C 176.019 0.006 1 395 79 79 GLN CA C 55.710 0.000 1 396 79 79 GLN N N 120.572 0.000 1 397 80 80 LYS H H 8.519 0.001 1 398 80 80 LYS HA H 4.363 0.000 1 399 80 80 LYS C C 176.750 0.002 1 400 80 80 LYS CA C 56.353 0.000 1 401 80 80 LYS N N 123.507 0.000 1 402 81 81 THR H H 8.376 0.001 1 403 81 81 THR HA H 4.337 0.000 1 404 81 81 THR C C 174.477 0.003 1 405 81 81 THR CA C 61.987 0.000 1 406 81 81 THR N N 117.207 0.000 1 407 82 82 VAL H H 8.396 0.000 1 408 82 82 VAL HA H 4.113 0.000 1 409 82 82 VAL C C 176.203 0.003 1 410 82 82 VAL CA C 62.352 0.000 1 411 82 82 VAL N N 123.352 0.000 1 412 83 83 GLU H H 8.649 0.002 1 413 83 83 GLU HA H 4.281 0.000 1 414 83 83 GLU C C 177.019 0.004 1 415 83 83 GLU CA C 56.712 0.000 1 416 83 83 GLU N N 125.490 0.000 1 417 84 84 GLY H H 8.601 0.001 1 418 84 84 GLY HA2 H 3.953 0.000 1 419 84 84 GLY HA3 H 3.953 0.000 1 420 84 84 GLY C C 174.172 0.006 1 421 84 84 GLY CA C 45.247 0.000 1 422 84 84 GLY N N 110.895 0.000 1 423 85 85 ALA H H 8.343 0.000 1 424 85 85 ALA HA H 4.305 0.000 1 425 85 85 ALA C C 178.577 0.002 1 426 85 85 ALA CA C 52.919 0.000 1 427 85 85 ALA N N 124.053 0.000 1 428 86 86 GLY H H 8.577 0.002 1 429 86 86 GLY HA2 H 3.964 0.000 1 430 86 86 GLY HA3 H 3.964 0.000 1 431 86 86 GLY C C 174.337 0.005 1 432 86 86 GLY CA C 45.283 0.000 1 433 86 86 GLY N N 108.339 0.000 1 434 87 87 SER H H 8.218 0.001 1 435 87 87 SER HA H 4.458 0.002 1 436 87 87 SER C C 174.750 0.003 1 437 87 87 SER CA C 58.367 0.029 1 438 87 87 SER N N 115.825 0.000 1 439 88 88 ILE H H 8.273 0.001 1 440 88 88 ILE HA H 4.162 0.001 1 441 88 88 ILE C C 176.338 0.003 1 442 88 88 ILE CA C 61.294 0.038 1 443 88 88 ILE N N 122.964 0.000 1 444 89 89 ALA H H 8.432 0.002 1 445 89 89 ALA HA H 4.244 0.000 1 446 89 89 ALA C C 177.625 0.001 1 447 89 89 ALA CA C 52.612 0.000 1 448 89 89 ALA N N 128.297 0.000 1 449 90 90 ALA H H 8.296 0.001 1 450 90 90 ALA HA H 4.244 0.000 1 451 90 90 ALA C C 177.794 0.005 1 452 90 90 ALA CA C 52.465 0.000 1 453 90 90 ALA N N 123.517 0.000 1 454 91 91 ALA H H 8.371 0.000 1 455 91 91 ALA HA H 4.350 0.003 1 456 91 91 ALA C C 178.200 0.003 1 457 91 91 ALA CA C 52.605 0.041 1 458 91 91 ALA N N 123.598 0.000 1 459 92 92 THR H H 8.177 0.002 1 460 92 92 THR HA H 4.297 0.000 1 461 92 92 THR C C 175.209 0.002 1 462 92 92 THR CA C 62.035 0.000 1 463 92 92 THR N N 112.852 0.000 1 464 93 93 GLY H H 8.381 0.001 1 465 93 93 GLY HA2 H 3.907 0.000 1 466 93 93 GLY HA3 H 3.907 0.000 1 467 93 93 GLY C C 173.647 0.002 1 468 93 93 GLY CA C 45.145 0.000 1 469 93 93 GLY N N 110.827 0.000 1 470 94 94 PHE H H 8.163 0.002 1 471 94 94 PHE HA H 4.605 0.002 1 472 94 94 PHE C C 175.535 0.002 1 473 94 94 PHE CA C 57.851 0.005 1 474 94 94 PHE N N 120.434 0.000 1 475 95 95 VAL H H 8.132 0.001 1 476 95 95 VAL HA H 4.002 0.000 1 477 95 95 VAL C C 175.433 0.004 1 478 95 95 VAL CA C 62.046 0.000 1 479 95 95 VAL N N 124.048 0.000 1 480 96 96 LYS H H 8.476 0.004 1 481 96 96 LYS HA H 4.214 0.000 1 482 96 96 LYS C C 176.514 0.005 1 483 96 96 LYS CA C 56.461 0.000 1 484 96 96 LYS N N 126.644 0.000 1 485 97 97 LYS H H 8.554 0.000 1 486 97 97 LYS HA H 4.295 0.000 1 487 97 97 LYS C C 176.431 0.008 1 488 97 97 LYS CA C 56.502 0.000 1 489 97 97 LYS N N 123.994 0.000 1 490 98 98 ASP H H 8.495 0.001 1 491 98 98 ASP HA H 4.572 0.001 1 492 98 98 ASP C C 176.221 0.011 1 493 98 98 ASP CA C 54.320 0.024 1 494 98 98 ASP N N 121.335 0.000 1 495 99 99 GLN H H 8.433 0.001 1 496 99 99 GLN HA H 4.311 0.000 1 497 99 99 GLN C C 176.089 0.002 1 498 99 99 GLN CA C 55.903 0.000 1 499 99 99 GLN N N 120.379 0.000 1 500 100 100 LEU H H 8.367 0.002 1 501 100 100 LEU HA H 4.333 0.001 1 502 100 100 LEU C C 178.046 0.004 1 503 100 100 LEU CA C 55.359 0.028 1 504 100 100 LEU N N 122.915 0.000 1 505 101 101 GLY H H 8.537 0.002 1 506 101 101 GLY HA2 H 3.938 0.000 1 507 101 101 GLY HA3 H 3.938 0.000 1 508 101 101 GLY C C 174.158 0.013 1 509 101 101 GLY CA C 45.308 0.000 1 510 101 101 GLY N N 109.875 0.000 1 511 102 102 LYS H H 8.283 0.001 1 512 102 102 LYS HA H 4.303 0.000 1 513 102 102 LYS C C 176.532 0.003 1 514 102 102 LYS CA C 56.242 0.000 1 515 102 102 LYS N N 120.864 0.000 1 516 103 103 ASN H H 8.693 0.002 1 517 103 103 ASN HA H 4.694 0.003 1 518 103 103 ASN C C 175.406 0.018 1 519 103 103 ASN CA C 53.343 0.012 1 520 103 103 ASN N N 120.019 0.000 1 521 104 104 GLU H H 8.531 0.002 1 522 104 104 GLU HA H 4.303 0.000 1 523 104 104 GLU C C 176.529 0.001 1 524 104 104 GLU CA C 56.468 0.000 1 525 104 104 GLU N N 121.350 0.000 1 526 105 105 GLU H H 8.524 0.004 1 527 105 105 GLU C C 176.966 0.000 1 528 105 105 GLU CA C 56.465 0.000 1 529 105 105 GLU N N 121.798 0.000 1 530 106 106 GLY H H 8.501 0.000 1 531 106 106 GLY HA2 H 3.926 0.000 1 532 106 106 GLY HA3 H 3.926 0.000 1 533 106 106 GLY C C 173.458 0.005 1 534 106 106 GLY CA C 44.995 0.000 1 535 106 106 GLY N N 110.089 0.000 1 536 107 107 ALA H H 8.187 0.001 1 537 107 107 ALA N N 125.011 0.000 1 538 108 108 PRO HA H 4.420 0.003 1 539 108 108 PRO C C 177.093 0.002 1 540 108 108 PRO CA C 63.091 0.030 1 541 109 109 GLN H H 8.658 0.002 1 542 109 109 GLN HA H 4.291 0.000 1 543 109 109 GLN C C 176.031 0.005 1 544 109 109 GLN CA C 55.747 0.000 1 545 109 109 GLN N N 121.234 0.000 1 546 110 110 GLU H H 8.588 0.001 1 547 110 110 GLU HA H 4.317 0.000 1 548 110 110 GLU C C 176.766 0.010 1 549 110 110 GLU CA C 56.500 0.000 1 550 110 110 GLU N N 122.518 0.000 1 551 111 111 GLY H H 8.517 0.000 1 552 111 111 GLY HA2 H 3.936 0.000 1 553 111 111 GLY HA3 H 3.936 0.000 1 554 111 111 GLY C C 173.854 0.004 1 555 111 111 GLY CA C 45.240 0.000 1 556 111 111 GLY N N 110.208 0.000 1 557 112 112 ILE H H 8.059 0.001 1 558 112 112 ILE HA H 4.169 0.000 1 559 112 112 ILE C C 176.356 0.002 1 560 112 112 ILE CA C 60.962 0.033 1 561 112 112 ILE N N 120.230 0.000 1 562 113 113 LEU H H 8.472 0.002 1 563 113 113 LEU HA H 4.375 0.001 1 564 113 113 LEU C C 177.227 0.004 1 565 113 113 LEU CA C 55.064 0.002 1 566 113 113 LEU N N 126.931 0.000 1 567 114 114 GLU H H 8.470 0.000 1 568 114 114 GLU HA H 4.273 0.000 1 569 114 114 GLU C C 175.817 0.001 1 570 114 114 GLU CA C 56.230 0.000 1 571 114 114 GLU N N 122.053 0.000 1 572 115 115 ASP H H 8.442 0.001 1 573 115 115 ASP HA H 4.584 0.000 1 574 115 115 ASP C C 175.646 0.000 1 575 115 115 ASP CA C 54.040 0.031 1 576 115 115 ASP N N 121.221 0.000 1 577 116 116 MET H H 8.318 0.004 1 578 116 116 MET N N 122.075 0.000 1 579 117 117 PRO HA H 4.454 0.004 1 580 117 117 PRO C C 176.750 0.002 1 581 117 117 PRO CA C 62.877 0.015 1 582 118 118 VAL H H 8.382 0.003 1 583 118 118 VAL HA H 4.046 0.000 1 584 118 118 VAL C C 175.812 0.002 1 585 118 118 VAL CA C 62.082 0.000 1 586 118 118 VAL N N 121.031 0.000 1 587 119 119 ASP H H 8.619 0.002 1 588 119 119 ASP N N 125.881 0.000 1 589 120 120 PRO HA H 4.335 0.001 1 590 120 120 PRO C C 176.959 0.003 1 591 120 120 PRO CA C 63.540 0.052 1 592 121 121 ASP H H 8.443 0.002 1 593 121 121 ASP HA H 4.606 0.000 1 594 121 121 ASP C C 175.995 0.008 1 595 121 121 ASP CA C 54.293 0.029 1 596 121 121 ASP N N 119.003 0.000 1 597 122 122 ASN H H 8.186 0.001 1 598 122 122 ASN HA H 4.690 0.000 1 599 122 122 ASN C C 175.455 0.000 1 600 122 122 ASN CA C 53.394 0.063 1 601 122 122 ASN N N 119.236 0.000 1 602 123 123 GLU H H 8.407 0.003 1 603 123 123 GLU HA H 4.228 0.000 1 604 123 123 GLU C C 176.064 0.001 1 605 123 123 GLU CA C 56.273 0.000 1 606 123 123 GLU N N 121.491 0.000 1 607 124 124 ALA H H 8.304 0.001 1 608 124 124 ALA HA H 4.263 0.000 1 609 124 124 ALA C C 177.362 0.003 1 610 124 124 ALA CA C 52.530 0.000 1 611 124 124 ALA N N 124.351 0.000 1 612 125 125 TYR H H 8.079 0.002 1 613 125 125 TYR HA H 4.514 0.004 1 614 125 125 TYR C C 175.426 0.011 1 615 125 125 TYR CA C 57.811 0.034 1 616 125 125 TYR N N 119.668 0.000 1 617 126 126 GLU H H 8.135 0.001 1 618 126 126 GLU HA H 4.267 0.001 1 619 126 126 GLU C C 175.367 0.001 1 620 126 126 GLU CA C 55.400 0.000 1 621 126 126 GLU N N 123.407 0.000 1 622 127 127 MET H H 8.460 0.002 1 623 127 127 MET N N 123.730 0.000 1 624 128 128 PRO HA H 4.412 0.011 1 625 128 128 PRO C C 176.969 0.007 1 626 128 128 PRO CA C 63.120 0.060 1 627 129 129 SER H H 8.533 0.003 1 628 129 129 SER HA H 4.402 0.001 1 629 129 129 SER C C 174.900 0.004 1 630 129 129 SER CA C 58.373 0.012 1 631 129 129 SER N N 116.570 0.000 1 632 130 130 GLU H H 8.603 0.001 1 633 130 130 GLU HA H 4.326 0.000 1 634 130 130 GLU C C 176.456 0.005 1 635 130 130 GLU CA C 56.374 0.000 1 636 130 130 GLU N N 122.996 0.000 1 637 131 131 GLU H H 8.490 0.001 1 638 131 131 GLU HA H 4.247 0.000 1 639 131 131 GLU C C 176.893 0.001 1 640 131 131 GLU CA C 56.710 0.000 1 641 131 131 GLU N N 121.809 0.000 1 642 132 132 GLY H H 8.477 0.005 1 643 132 132 GLY HA2 H 3.895 0.000 1 644 132 132 GLY HA3 H 3.895 0.000 1 645 132 132 GLY C C 173.913 0.001 1 646 132 132 GLY CA C 45.180 0.000 1 647 132 132 GLY N N 110.075 0.000 1 648 133 133 TYR H H 8.121 0.000 1 649 133 133 TYR HA H 4.499 0.004 1 650 133 133 TYR C C 175.816 0.007 1 651 133 133 TYR CA C 58.180 0.034 1 652 133 133 TYR N N 120.364 0.000 1 653 134 134 GLN H H 8.295 0.002 1 654 134 134 GLN HA H 4.235 0.002 1 655 134 134 GLN C C 174.909 0.003 1 656 134 134 GLN CA C 55.425 0.029 1 657 134 134 GLN N N 122.797 0.000 1 658 135 135 ASP H H 8.323 0.002 1 659 135 135 ASP HA H 4.540 0.004 1 660 135 135 ASP C C 175.382 0.004 1 661 135 135 ASP CA C 53.941 0.032 1 662 135 135 ASP N N 121.421 0.000 1 663 136 136 TYR H H 8.155 0.002 1 664 136 136 TYR HA H 4.546 0.000 1 665 136 136 TYR C C 175.146 0.003 1 666 136 136 TYR CA C 57.718 0.012 1 667 136 136 TYR N N 121.081 0.000 1 668 137 137 GLU H H 8.250 0.002 1 669 137 137 GLU N N 125.143 0.000 1 670 138 138 PRO HA H 4.335 0.004 1 671 138 138 PRO C C 176.876 0.003 1 672 138 138 PRO CA C 62.879 0.043 1 673 139 139 GLU H H 8.571 0.002 1 674 139 139 GLU HA H 4.244 0.000 1 675 139 139 GLU C C 175.351 0.005 1 676 139 139 GLU CA C 56.286 0.000 1 677 139 139 GLU N N 121.504 0.000 1 678 140 140 ALA H H 8.107 0.002 1 679 140 140 ALA HA H 4.108 0.003 1 680 140 140 ALA C C 182.444 0.000 1 681 140 140 ALA CA C 53.692 0.000 1 682 140 140 ALA N N 130.897 0.000 1 stop_ save_ save_assigned_chem_shift_list_16 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_5.21 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.126 0.002 1 2 1 1 MET C C 171.892 0.000 1 3 1 1 MET CA C 54.957 0.026 1 4 2 2 ASP H H 8.850 0.001 1 5 2 2 ASP HA H 4.714 0.000 1 6 2 2 ASP C C 175.807 0.000 1 7 2 2 ASP CA C 54.165 0.020 1 8 2 2 ASP N N 124.890 0.000 1 9 3 3 VAL H H 8.357 0.002 1 10 3 3 VAL HA H 4.021 0.000 1 11 3 3 VAL C C 175.926 0.004 1 12 3 3 VAL CA C 62.492 0.000 1 13 3 3 VAL N N 120.730 0.000 1 14 4 4 PHE H H 8.437 0.001 1 15 4 4 PHE HA H 4.607 0.005 1 16 4 4 PHE C C 175.812 0.005 1 17 4 4 PHE CA C 57.904 0.050 1 18 4 4 PHE N N 123.907 0.000 1 19 5 5 MET H H 8.299 0.000 1 20 5 5 MET HA H 4.387 0.001 1 21 5 5 MET C C 175.929 0.003 1 22 5 5 MET CA C 55.273 0.038 1 23 5 5 MET N N 122.680 0.000 1 24 6 6 LYS H H 8.356 0.000 1 25 6 6 LYS HA H 4.198 0.004 1 26 6 6 LYS C C 177.178 0.005 1 27 6 6 LYS CA C 56.865 0.047 1 28 6 6 LYS N N 122.919 0.000 1 29 7 7 GLY H H 8.494 0.001 1 30 7 7 GLY HA2 H 3.938 0.000 1 31 7 7 GLY HA3 H 3.938 0.000 1 32 7 7 GLY C C 174.185 0.007 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.086 0.000 1 35 8 8 LEU H H 8.144 0.001 1 36 8 8 LEU HA H 4.381 0.001 1 37 8 8 LEU C C 177.714 0.004 1 38 8 8 LEU CA C 55.118 0.034 1 39 8 8 LEU N N 121.676 0.000 1 40 9 9 SER H H 8.405 0.001 1 41 9 9 SER HA H 4.409 0.002 1 42 9 9 SER C C 174.608 0.002 1 43 9 9 SER CA C 58.367 0.048 1 44 9 9 SER N N 116.922 0.000 1 45 10 10 LYS H H 8.457 0.000 1 46 10 10 LYS HA H 4.360 0.000 1 47 10 10 LYS C C 176.750 0.002 1 48 10 10 LYS CA C 56.407 0.000 1 49 10 10 LYS N N 123.844 0.000 1 50 11 11 ALA H H 8.381 0.004 1 51 11 11 ALA HA H 4.247 0.000 1 52 11 11 ALA C C 177.983 0.001 1 53 11 11 ALA CA C 52.735 0.000 1 54 11 11 ALA N N 125.528 0.000 1 55 12 12 LYS H H 8.423 0.002 1 56 12 12 LYS HA H 4.246 0.000 1 57 12 12 LYS C C 176.763 0.000 1 58 12 12 LYS CA C 56.450 0.000 1 59 12 12 LYS N N 121.077 0.000 1 60 13 13 GLU H H 8.497 0.001 1 61 13 13 GLU C C 177.074 0.000 1 62 13 13 GLU CA C 56.752 0.000 1 63 13 13 GLU N N 122.206 0.000 1 64 14 14 GLY H H 8.540 0.000 1 65 14 14 GLY C C 174.073 0.000 1 66 14 14 GLY CA C 45.301 0.000 1 67 14 14 GLY N N 110.266 0.000 1 68 15 15 VAL H H 8.058 0.001 1 69 15 15 VAL HA H 4.080 0.000 1 70 15 15 VAL C C 176.567 0.005 1 71 15 15 VAL CA C 62.668 0.000 1 72 15 15 VAL N N 120.335 0.000 1 73 16 16 VAL H H 8.380 0.003 1 74 16 16 VAL C C 176.095 0.000 1 75 16 16 VAL CA C 62.546 0.000 1 76 16 16 VAL N N 125.528 0.000 1 77 17 17 ALA H H 8.528 0.002 1 78 17 17 ALA HA H 4.250 0.000 1 79 17 17 ALA C C 177.790 0.009 1 80 17 17 ALA CA C 52.641 0.000 1 81 17 17 ALA N N 128.640 0.000 1 82 18 18 ALA H H 8.398 0.000 1 83 18 18 ALA HA H 4.226 0.000 1 84 18 18 ALA C C 177.995 0.001 1 85 18 18 ALA CA C 52.784 0.000 1 86 18 18 ALA N N 123.825 0.000 1 87 19 19 ALA H H 8.353 0.000 1 88 19 19 ALA HA H 4.260 0.000 1 89 19 19 ALA C C 178.286 0.006 1 90 19 19 ALA CA C 52.845 0.000 1 91 19 19 ALA N N 123.253 0.000 1 92 20 20 GLU H H 8.396 0.004 1 93 20 20 GLU C C 176.981 0.000 1 94 20 20 GLU CA C 56.769 0.000 1 95 20 20 GLU N N 120.251 0.000 1 96 21 21 LYS H H 8.417 0.001 1 97 21 21 LYS HA H 4.326 0.000 1 98 21 21 LYS C C 177.249 0.000 1 99 21 21 LYS CA C 56.775 0.000 1 100 21 21 LYS N N 122.506 0.000 1 101 22 22 THR H H 8.215 0.001 1 102 22 22 THR HA H 4.277 0.000 1 103 22 22 THR C C 174.768 0.009 1 104 22 22 THR CA C 62.371 0.000 1 105 22 22 THR N N 115.527 0.000 1 106 23 23 LYS H H 8.430 0.000 1 107 23 23 LYS HA H 4.289 0.000 1 108 23 23 LYS C C 176.775 0.000 1 109 23 23 LYS CA C 56.804 0.000 1 110 23 23 LYS N N 123.920 0.000 1 111 24 24 GLN H H 8.508 0.004 1 112 24 24 GLN HA H 4.296 0.000 1 113 24 24 GLN C C 176.675 0.001 1 114 24 24 GLN CA C 56.308 0.000 1 115 24 24 GLN N N 122.136 0.000 1 116 25 25 GLY H H 8.558 0.000 1 117 25 25 GLY HA2 H 3.978 0.000 1 118 25 25 GLY HA3 H 3.978 0.000 1 119 25 25 GLY C C 174.332 0.001 1 120 25 25 GLY CA C 45.377 0.000 1 121 25 25 GLY N N 110.686 0.000 1 122 26 26 VAL H H 8.095 0.001 1 123 26 26 VAL HA H 4.061 0.000 1 124 26 26 VAL C C 176.478 0.006 1 125 26 26 VAL CA C 62.694 0.000 1 126 26 26 VAL N N 120.009 0.000 1 127 27 27 ALA H H 8.499 0.000 1 128 27 27 ALA HA H 4.286 0.000 1 129 27 27 ALA C C 178.234 0.002 1 130 27 27 ALA CA C 52.849 0.000 1 131 27 27 ALA N N 127.517 0.000 1 132 28 28 GLU H H 8.475 0.001 1 133 28 28 GLU HA H 4.192 0.000 1 134 28 28 GLU C C 176.731 0.009 1 135 28 28 GLU CA C 56.815 0.000 1 136 28 28 GLU N N 120.657 0.000 1 137 29 29 ALA H H 8.379 0.002 1 138 29 29 ALA HA H 4.262 0.000 1 139 29 29 ALA C C 177.828 0.003 1 140 29 29 ALA CA C 52.727 0.000 1 141 29 29 ALA N N 125.126 0.000 1 142 30 30 ALA H H 8.314 0.002 1 143 30 30 ALA HA H 4.287 0.000 1 144 30 30 ALA C C 178.553 0.001 1 145 30 30 ALA CA C 52.807 0.000 1 146 30 30 ALA N N 123.187 0.000 1 147 31 31 GLY H H 8.387 0.002 1 148 31 31 GLY HA2 H 3.926 0.000 1 149 31 31 GLY HA3 H 3.926 0.000 1 150 31 31 GLY C C 174.256 0.002 1 151 31 31 GLY CA C 45.346 0.000 1 152 31 31 GLY N N 107.882 0.000 1 153 32 32 LYS H H 8.178 0.002 1 154 32 32 LYS HA H 4.418 0.001 1 155 32 32 LYS C C 177.088 0.001 1 156 32 32 LYS CA C 56.251 0.009 1 157 32 32 LYS N N 120.806 0.000 1 158 33 33 THR H H 8.306 0.001 1 159 33 33 THR HA H 4.328 0.000 1 160 33 33 THR C C 174.726 0.000 1 161 33 33 THR CA C 61.990 0.000 1 162 33 33 THR N N 115.821 0.000 1 163 34 34 LYS H H 8.558 0.001 1 164 34 34 LYS C C 176.585 0.000 1 165 34 34 LYS CA C 56.553 0.000 1 166 34 34 LYS N N 124.052 0.000 1 167 35 35 GLU H H 8.518 0.001 1 168 35 35 GLU HA H 4.256 0.000 1 169 35 35 GLU C C 176.986 0.012 1 170 35 35 GLU CA C 56.521 0.000 1 171 35 35 GLU N N 122.089 0.000 1 172 36 36 GLY H H 8.509 0.004 1 173 36 36 GLY HA2 H 3.950 0.000 1 174 36 36 GLY HA3 H 3.950 0.000 1 175 36 36 GLY C C 174.055 0.007 1 176 36 36 GLY CA C 45.277 0.000 1 177 36 36 GLY N N 110.318 0.000 1 178 37 37 VAL H H 7.994 0.002 1 179 37 37 VAL HA H 4.053 0.000 1 180 37 37 VAL C C 176.007 0.011 1 181 37 37 VAL CA C 62.377 0.000 1 182 37 37 VAL N N 119.737 0.000 1 183 38 38 LEU H H 8.367 0.000 1 184 38 38 LEU HA H 4.344 0.002 1 185 38 38 LEU C C 176.730 0.013 1 186 38 38 LEU CA C 54.947 0.027 1 187 38 38 LEU N N 126.023 0.000 1 188 39 39 TYR H H 8.362 0.002 1 189 39 39 TYR HA H 4.579 0.003 1 190 39 39 TYR C C 175.624 0.008 1 191 39 39 TYR CA C 57.913 0.036 1 192 39 39 TYR N N 122.683 0.000 1 193 40 40 VAL H H 8.153 0.000 1 194 40 40 VAL HA H 4.048 0.000 1 195 40 40 VAL C C 176.168 0.007 1 196 40 40 VAL CA C 62.206 0.000 1 197 40 40 VAL N N 123.610 0.000 1 198 41 41 GLY H H 8.105 0.000 1 199 41 41 GLY HA2 H 3.925 0.000 1 200 41 41 GLY HA3 H 3.925 0.000 1 201 41 41 GLY C C 173.981 0.002 1 202 41 41 GLY CA C 45.131 0.000 1 203 41 41 GLY N N 112.293 0.000 1 204 42 42 SER H H 8.329 0.001 1 205 42 42 SER HA H 4.440 0.000 1 206 42 42 SER C C 174.846 0.005 1 207 42 42 SER CA C 58.367 0.025 1 208 42 42 SER N N 115.681 0.000 1 209 43 43 LYS H H 8.565 0.001 1 210 43 43 LYS HA H 4.413 0.001 1 211 43 43 LYS C C 176.950 0.003 1 212 43 43 LYS CA C 56.431 0.024 1 213 43 43 LYS N N 123.622 0.000 1 214 44 44 THR H H 8.250 0.001 1 215 44 44 THR HA H 4.305 0.000 1 216 44 44 THR C C 174.624 0.003 1 217 44 44 THR CA C 61.968 0.000 1 218 44 44 THR N N 115.723 0.000 1 219 45 45 LYS H H 8.509 0.000 1 220 45 45 LYS HA H 4.289 0.000 1 221 45 45 LYS C C 176.586 0.003 1 222 45 45 LYS CA C 56.486 0.000 1 223 45 45 LYS N N 124.011 0.000 1 224 46 46 GLU H H 8.532 0.001 1 225 46 46 GLU HA H 4.255 0.000 1 226 46 46 GLU C C 176.983 0.010 1 227 46 46 GLU CA C 56.545 0.000 1 228 46 46 GLU N N 122.350 0.000 1 229 47 47 GLY H H 8.511 0.005 1 230 47 47 GLY HA2 H 3.903 0.000 1 231 47 47 GLY HA3 H 3.903 0.000 1 232 47 47 GLY C C 173.902 0.006 1 233 47 47 GLY CA C 45.196 0.000 1 234 47 47 GLY N N 110.303 0.000 1 235 48 48 VAL H H 8.006 0.001 1 236 48 48 VAL HA H 4.097 0.000 1 237 48 48 VAL C C 176.166 0.005 1 238 48 48 VAL CA C 62.275 0.000 1 239 48 48 VAL N N 119.968 0.000 1 240 49 49 VAL H H 8.380 0.001 1 241 49 49 VAL HA H 4.053 0.000 1 242 49 49 VAL C C 175.998 0.001 1 243 49 49 VAL CA C 62.288 0.000 1 244 49 49 VAL N N 125.126 0.000 1 245 50 50 HIS H H 8.790 0.002 1 246 50 50 HIS HA H 4.720 0.005 1 247 50 50 HIS C C 174.805 0.009 1 248 50 50 HIS CA C 55.196 0.035 1 249 50 50 HIS N N 123.588 0.000 1 250 51 51 GLY H H 8.561 0.002 1 251 51 51 GLY HA2 H 3.992 0.000 1 252 51 51 GLY HA3 H 3.992 0.000 1 253 51 51 GLY C C 173.750 0.003 1 254 51 51 GLY CA C 45.059 0.000 1 255 51 51 GLY N N 110.741 0.000 1 256 52 52 VAL H H 8.188 0.001 1 257 52 52 VAL HA H 4.147 0.001 1 258 52 52 VAL C C 175.993 0.011 1 259 52 52 VAL CA C 61.987 0.039 1 260 52 52 VAL N N 119.749 0.000 1 261 53 53 ALA H H 8.584 0.000 1 262 53 53 ALA HA H 4.406 0.001 1 263 53 53 ALA C C 177.884 0.003 1 264 53 53 ALA CA C 52.400 0.021 1 265 53 53 ALA N N 128.477 0.000 1 266 54 54 THR H H 8.317 0.002 1 267 54 54 THR HA H 4.305 0.000 1 268 54 54 THR C C 174.607 0.014 1 269 54 54 THR CA C 61.865 0.000 1 270 54 54 THR N N 115.141 0.000 1 271 55 55 VAL H H 8.340 0.000 1 272 55 55 VAL C C 175.937 0.000 1 273 55 55 VAL CA C 62.446 0.000 1 274 55 55 VAL N N 123.318 0.000 1 275 56 56 ALA H H 8.512 0.000 1 276 56 56 ALA HA H 4.281 0.000 1 277 56 56 ALA C C 177.867 0.002 1 278 56 56 ALA CA C 52.602 0.000 1 279 56 56 ALA N N 128.262 0.000 1 280 57 57 GLU H H 8.446 0.001 1 281 57 57 GLU C C 176.759 0.000 1 282 57 57 GLU CA C 56.521 0.000 1 283 57 57 GLU N N 121.070 0.000 1 284 58 58 LYS H H 8.521 0.004 1 285 58 58 LYS HA H 4.348 0.000 1 286 58 58 LYS C C 177.058 0.010 1 287 58 58 LYS CA C 56.594 0.000 1 288 58 58 LYS N N 123.050 0.000 1 289 59 59 THR H H 8.297 0.004 1 290 59 59 THR HA H 4.273 0.000 1 291 59 59 THR C C 174.688 0.006 1 292 59 59 THR CA C 62.221 0.000 1 293 59 59 THR N N 116.212 0.000 1 294 60 60 LYS H H 8.465 0.000 1 295 60 60 LYS HA H 4.282 0.000 1 296 60 60 LYS C C 176.784 0.011 1 297 60 60 LYS CA C 56.684 0.000 1 298 60 60 LYS N N 123.831 0.000 1 299 61 61 GLU H H 8.510 0.004 1 300 61 61 GLU C C 176.539 0.000 1 301 61 61 GLU CA C 56.602 0.000 1 302 61 61 GLU N N 122.218 0.000 1 303 62 62 GLN H H 8.523 0.002 1 304 62 62 GLN HA H 4.341 0.000 1 305 62 62 GLN C C 176.017 0.001 1 306 62 62 GLN CA C 55.841 0.000 1 307 62 62 GLN N N 122.368 0.000 1 308 63 63 VAL H H 8.367 0.002 1 309 63 63 VAL HA H 4.185 0.003 1 310 63 63 VAL C C 176.409 0.006 1 311 63 63 VAL CA C 62.355 0.031 1 312 63 63 VAL N N 122.172 0.000 1 313 64 64 THR H H 8.385 0.001 1 314 64 64 THR HA H 4.362 0.000 1 315 64 64 THR C C 174.091 0.005 1 316 64 64 THR CA C 61.833 0.000 1 317 64 64 THR N N 118.357 0.000 1 318 65 65 ASN H H 8.600 0.002 1 319 65 65 ASN HA H 4.780 0.000 1 320 65 65 ASN C C 175.310 0.000 1 321 65 65 ASN CA C 53.105 0.014 1 322 65 65 ASN N N 121.993 0.000 1 323 66 66 VAL H H 8.329 0.001 1 324 66 66 VAL HA H 4.117 0.002 1 325 66 66 VAL C C 176.936 0.003 1 326 66 66 VAL CA C 62.678 0.039 1 327 66 66 VAL N N 120.960 0.000 1 328 67 67 GLY H H 8.638 0.001 1 329 67 67 GLY HA2 H 3.966 0.000 1 330 67 67 GLY HA3 H 3.966 0.000 1 331 67 67 GLY C C 174.710 0.002 1 332 67 67 GLY CA C 45.359 0.000 1 333 67 67 GLY N N 112.815 0.000 1 334 68 68 GLY H H 8.304 0.002 1 335 68 68 GLY HA2 H 3.940 0.000 1 336 68 68 GLY HA3 H 3.940 0.000 1 337 68 68 GLY C C 173.762 0.004 1 338 68 68 GLY CA C 45.029 0.000 1 339 68 68 GLY N N 108.921 0.000 1 340 69 69 ALA H H 8.238 0.000 1 341 69 69 ALA HA H 4.345 0.003 1 342 69 69 ALA C C 177.720 0.001 1 343 69 69 ALA CA C 52.308 0.013 1 344 69 69 ALA N N 123.868 0.000 1 345 70 70 VAL H H 8.306 0.001 1 346 70 70 VAL HA H 4.085 0.000 1 347 70 70 VAL C C 176.407 0.004 1 348 70 70 VAL CA C 62.423 0.000 1 349 70 70 VAL N N 120.775 0.000 1 350 71 71 VAL H H 8.489 0.003 1 351 71 71 VAL HA H 4.213 0.002 1 352 71 71 VAL C C 176.355 0.005 1 353 71 71 VAL CA C 62.123 0.021 1 354 71 71 VAL N N 125.767 0.000 1 355 72 72 THR H H 8.396 0.002 1 356 72 72 THR HA H 4.353 0.000 1 357 72 72 THR C C 174.947 0.002 1 358 72 72 THR CA C 61.888 0.000 1 359 72 72 THR N N 118.954 0.000 1 360 73 73 GLY H H 8.516 0.000 1 361 73 73 GLY HA2 H 3.988 0.000 1 362 73 73 GLY HA3 H 3.988 0.000 1 363 73 73 GLY C C 174.041 0.002 1 364 73 73 GLY CA C 45.211 0.000 1 365 73 73 GLY N N 111.502 0.000 1 366 74 74 VAL H H 8.163 0.001 1 367 74 74 VAL HA H 4.185 0.003 1 368 74 74 VAL C C 176.626 0.001 1 369 74 74 VAL CA C 62.332 0.008 1 370 74 74 VAL N N 119.699 0.000 1 371 75 75 THR H H 8.385 0.003 1 372 75 75 THR HA H 4.309 0.000 1 373 75 75 THR C C 174.113 0.003 1 374 75 75 THR CA C 61.980 0.000 1 375 75 75 THR N N 119.324 0.000 1 376 76 76 ALA H H 8.460 0.001 1 377 76 76 ALA HA H 4.339 0.002 1 378 76 76 ALA C C 177.625 0.002 1 379 76 76 ALA CA C 52.433 0.009 1 380 76 76 ALA N N 127.650 0.000 1 381 77 77 VAL H H 8.239 0.001 1 382 77 77 VAL HA H 4.046 0.000 1 383 77 77 VAL C C 176.076 0.002 1 384 77 77 VAL CA C 62.261 0.000 1 385 77 77 VAL N N 120.384 0.000 1 386 78 78 ALA H H 8.498 0.000 1 387 78 78 ALA HA H 4.285 0.000 1 388 78 78 ALA C C 177.702 0.001 1 389 78 78 ALA CA C 52.505 0.000 1 390 78 78 ALA N N 128.421 0.000 1 391 79 79 GLN H H 8.480 0.000 1 392 79 79 GLN HA H 4.285 0.000 1 393 79 79 GLN C C 176.015 0.005 1 394 79 79 GLN CA C 55.698 0.000 1 395 79 79 GLN N N 120.618 0.000 1 396 80 80 LYS H H 8.521 0.001 1 397 80 80 LYS HA H 4.360 0.000 1 398 80 80 LYS C C 176.752 0.000 1 399 80 80 LYS CA C 56.341 0.000 1 400 80 80 LYS N N 123.512 0.000 1 401 81 81 THR H H 8.380 0.000 1 402 81 81 THR HA H 4.339 0.000 1 403 81 81 THR C C 174.488 0.006 1 404 81 81 THR CA C 61.987 0.000 1 405 81 81 THR N N 117.202 0.000 1 406 82 82 VAL H H 8.395 0.001 1 407 82 82 VAL HA H 4.109 0.000 1 408 82 82 VAL C C 176.203 0.004 1 409 82 82 VAL CA C 62.340 0.000 1 410 82 82 VAL N N 123.348 0.000 1 411 83 83 GLU H H 8.652 0.002 1 412 83 83 GLU HA H 4.265 0.000 1 413 83 83 GLU C C 177.043 0.000 1 414 83 83 GLU CA C 56.747 0.000 1 415 83 83 GLU N N 125.497 0.000 1 416 84 84 GLY H H 8.602 0.001 1 417 84 84 GLY HA2 H 3.952 0.000 1 418 84 84 GLY HA3 H 3.952 0.000 1 419 84 84 GLY C C 174.183 0.003 1 420 84 84 GLY CA C 45.247 0.000 1 421 84 84 GLY N N 110.890 0.000 1 422 85 85 ALA H H 8.342 0.000 1 423 85 85 ALA HA H 4.301 0.000 1 424 85 85 ALA C C 178.571 0.004 1 425 85 85 ALA CA C 52.919 0.000 1 426 85 85 ALA N N 124.046 0.000 1 427 86 86 GLY H H 8.577 0.002 1 428 86 86 GLY HA2 H 3.964 0.000 1 429 86 86 GLY HA3 H 3.964 0.000 1 430 86 86 GLY C C 174.336 0.005 1 431 86 86 GLY CA C 45.288 0.000 1 432 86 86 GLY N N 108.339 0.000 1 433 87 87 SER H H 8.220 0.002 1 434 87 87 SER HA H 4.459 0.002 1 435 87 87 SER C C 174.753 0.001 1 436 87 87 SER CA C 58.371 0.033 1 437 87 87 SER N N 115.813 0.000 1 438 88 88 ILE H H 8.275 0.002 1 439 88 88 ILE HA H 4.163 0.001 1 440 88 88 ILE C C 176.337 0.001 1 441 88 88 ILE CA C 61.285 0.037 1 442 88 88 ILE N N 122.952 0.000 1 443 89 89 ALA H H 8.432 0.002 1 444 89 89 ALA HA H 4.244 0.000 1 445 89 89 ALA C C 177.623 0.004 1 446 89 89 ALA CA C 52.612 0.000 1 447 89 89 ALA N N 128.296 0.000 1 448 90 90 ALA H H 8.296 0.003 1 449 90 90 ALA HA H 4.244 0.000 1 450 90 90 ALA C C 177.795 0.004 1 451 90 90 ALA CA C 52.451 0.000 1 452 90 90 ALA N N 123.526 0.000 1 453 91 91 ALA H H 8.374 0.000 1 454 91 91 ALA HA H 4.349 0.003 1 455 91 91 ALA C C 178.200 0.002 1 456 91 91 ALA CA C 52.600 0.036 1 457 91 91 ALA N N 123.621 0.000 1 458 92 92 THR H H 8.178 0.002 1 459 92 92 THR HA H 4.296 0.000 1 460 92 92 THR C C 175.203 0.008 1 461 92 92 THR CA C 62.035 0.000 1 462 92 92 THR N N 112.856 0.000 1 463 93 93 GLY H H 8.381 0.001 1 464 93 93 GLY HA2 H 3.907 0.000 1 465 93 93 GLY HA3 H 3.907 0.000 1 466 93 93 GLY C C 173.646 0.003 1 467 93 93 GLY CA C 45.145 0.000 1 468 93 93 GLY N N 110.823 0.000 1 469 94 94 PHE H H 8.162 0.001 1 470 94 94 PHE HA H 4.602 0.000 1 471 94 94 PHE C C 175.524 0.009 1 472 94 94 PHE CA C 57.850 0.004 1 473 94 94 PHE N N 120.442 0.000 1 474 95 95 VAL H H 8.132 0.001 1 475 95 95 VAL HA H 4.001 0.000 1 476 95 95 VAL C C 175.430 0.003 1 477 95 95 VAL CA C 62.044 0.000 1 478 95 95 VAL N N 124.069 0.000 1 479 96 96 LYS H H 8.477 0.002 1 480 96 96 LYS HA H 4.214 0.000 1 481 96 96 LYS C C 176.508 0.001 1 482 96 96 LYS CA C 56.474 0.000 1 483 96 96 LYS N N 126.661 0.000 1 484 97 97 LYS H H 8.554 0.000 1 485 97 97 LYS HA H 4.294 0.000 1 486 97 97 LYS C C 176.416 0.005 1 487 97 97 LYS CA C 56.500 0.000 1 488 97 97 LYS N N 123.994 0.000 1 489 98 98 ASP H H 8.487 0.002 1 490 98 98 ASP HA H 4.564 0.002 1 491 98 98 ASP C C 176.248 0.008 1 492 98 98 ASP CA C 54.337 0.024 1 493 98 98 ASP N N 121.345 0.000 1 494 99 99 GLN H H 8.431 0.002 1 495 99 99 GLN HA H 4.312 0.000 1 496 99 99 GLN C C 176.076 0.011 1 497 99 99 GLN CA C 55.895 0.000 1 498 99 99 GLN N N 120.371 0.000 1 499 100 100 LEU H H 8.369 0.001 1 500 100 100 LEU HA H 4.335 0.001 1 501 100 100 LEU C C 178.048 0.000 1 502 100 100 LEU CA C 55.340 0.013 1 503 100 100 LEU N N 122.915 0.000 1 504 101 101 GLY H H 8.544 0.002 1 505 101 101 GLY HA2 H 3.939 0.000 1 506 101 101 GLY HA3 H 3.939 0.000 1 507 101 101 GLY C C 174.139 0.003 1 508 101 101 GLY CA C 45.308 0.000 1 509 101 101 GLY N N 109.896 0.000 1 510 102 102 LYS H H 8.286 0.002 1 511 102 102 LYS HA H 4.306 0.000 1 512 102 102 LYS C C 176.531 0.001 1 513 102 102 LYS CA C 56.229 0.000 1 514 102 102 LYS N N 120.868 0.000 1 515 103 103 ASN H H 8.697 0.002 1 516 103 103 ASN HA H 4.698 0.011 1 517 103 103 ASN C C 175.385 0.002 1 518 103 103 ASN CA C 53.338 0.016 1 519 103 103 ASN N N 120.036 0.000 1 520 104 104 GLU H H 8.538 0.001 1 521 104 104 GLU HA H 4.303 0.000 1 522 104 104 GLU C C 176.552 0.004 1 523 104 104 GLU CA C 56.507 0.000 1 524 104 104 GLU N N 121.404 0.000 1 525 105 105 GLU H H 8.530 0.002 1 526 105 105 GLU C C 177.012 0.000 1 527 105 105 GLU CA C 56.520 0.000 1 528 105 105 GLU N N 121.851 0.000 1 529 106 106 GLY H H 8.504 0.002 1 530 106 106 GLY HA2 H 3.926 0.000 1 531 106 106 GLY HA3 H 3.926 0.000 1 532 106 106 GLY C C 173.463 0.004 1 533 106 106 GLY CA C 44.995 0.000 1 534 106 106 GLY N N 110.089 0.000 1 535 107 107 ALA H H 8.189 0.000 1 536 107 107 ALA N N 125.012 0.000 1 537 108 108 PRO HA H 4.422 0.004 1 538 108 108 PRO C C 177.091 0.002 1 539 108 108 PRO CA C 63.068 0.024 1 540 109 109 GLN H H 8.663 0.002 1 541 109 109 GLN HA H 4.285 0.000 1 542 109 109 GLN C C 176.025 0.005 1 543 109 109 GLN CA C 55.710 0.000 1 544 109 109 GLN N N 121.300 0.000 1 545 110 110 GLU H H 8.594 0.002 1 546 110 110 GLU HA H 4.302 0.000 1 547 110 110 GLU C C 176.793 0.027 1 548 110 110 GLU CA C 56.500 0.000 1 549 110 110 GLU N N 122.581 0.000 1 550 111 111 GLY H H 8.516 0.001 1 551 111 111 GLY HA2 H 3.937 0.000 1 552 111 111 GLY HA3 H 3.937 0.000 1 553 111 111 GLY C C 173.829 0.004 1 554 111 111 GLY CA C 45.240 0.000 1 555 111 111 GLY N N 110.208 0.000 1 556 112 112 ILE H H 8.062 0.001 1 557 112 112 ILE HA H 4.168 0.001 1 558 112 112 ILE C C 176.353 0.001 1 559 112 112 ILE CA C 60.931 0.029 1 560 112 112 ILE N N 120.266 0.000 1 561 113 113 LEU H H 8.481 0.002 1 562 113 113 LEU HA H 4.376 0.003 1 563 113 113 LEU C C 177.216 0.005 1 564 113 113 LEU CA C 55.056 0.010 1 565 113 113 LEU N N 127.041 0.000 1 566 114 114 GLU H H 8.482 0.002 1 567 114 114 GLU HA H 4.270 0.000 1 568 114 114 GLU C C 175.838 0.005 1 569 114 114 GLU CA C 56.244 0.000 1 570 114 114 GLU N N 122.179 0.000 1 571 115 115 ASP H H 8.442 0.001 1 572 115 115 ASP HA H 4.579 0.000 1 573 115 115 ASP C C 175.708 0.000 1 574 115 115 ASP CA C 54.096 0.013 1 575 115 115 ASP N N 121.355 0.000 1 576 116 116 MET H H 8.328 0.002 1 577 116 116 MET N N 122.125 0.000 1 578 117 117 PRO HA H 4.449 0.006 1 579 117 117 PRO C C 176.754 0.001 1 580 117 117 PRO CA C 62.882 0.054 1 581 118 118 VAL H H 8.391 0.004 1 582 118 118 VAL HA H 4.050 0.000 1 583 118 118 VAL C C 175.817 0.000 1 584 118 118 VAL CA C 61.990 0.000 1 585 118 118 VAL N N 121.070 0.000 1 586 119 119 ASP H H 8.618 0.004 1 587 119 119 ASP N N 125.994 0.000 1 588 120 120 PRO HA H 4.335 0.001 1 589 120 120 PRO C C 176.958 0.001 1 590 120 120 PRO CA C 63.511 0.043 1 591 121 121 ASP H H 8.447 0.001 1 592 121 121 ASP HA H 4.605 0.000 1 593 121 121 ASP C C 176.048 0.000 1 594 121 121 ASP CA C 54.354 0.026 1 595 121 121 ASP N N 119.131 0.000 1 596 122 122 ASN H H 8.186 0.002 1 597 122 122 ASN HA H 4.688 0.000 1 598 122 122 ASN C C 175.447 0.000 1 599 122 122 ASN CA C 53.382 0.060 1 600 122 122 ASN N N 119.264 0.000 1 601 123 123 GLU H H 8.419 0.001 1 602 123 123 GLU HA H 4.223 0.000 1 603 123 123 GLU C C 176.067 0.000 1 604 123 123 GLU CA C 56.260 0.000 1 605 123 123 GLU N N 121.590 0.000 1 606 124 124 ALA H H 8.304 0.000 1 607 124 124 ALA HA H 4.267 0.000 1 608 124 124 ALA C C 177.335 0.001 1 609 124 124 ALA CA C 52.454 0.000 1 610 124 124 ALA N N 124.423 0.000 1 611 125 125 TYR H H 8.091 0.002 1 612 125 125 TYR HA H 4.517 0.000 1 613 125 125 TYR C C 175.403 0.018 1 614 125 125 TYR CA C 57.813 0.064 1 615 125 125 TYR N N 119.807 0.000 1 616 126 126 GLU H H 8.152 0.000 1 617 126 126 GLU HA H 4.263 0.005 1 618 126 126 GLU C C 175.375 0.008 1 619 126 126 GLU CA C 55.422 0.023 1 620 126 126 GLU N N 123.579 0.000 1 621 127 127 MET H H 8.473 0.000 1 622 127 127 MET N N 123.836 0.000 1 623 128 128 PRO HA H 4.420 0.006 1 624 128 128 PRO C C 176.957 0.004 1 625 128 128 PRO CA C 63.076 0.033 1 626 129 129 SER H H 8.547 0.000 1 627 129 129 SER HA H 4.401 0.001 1 628 129 129 SER C C 174.886 0.001 1 629 129 129 SER CA C 58.361 0.000 1 630 129 129 SER N N 116.687 0.000 1 631 130 130 GLU H H 8.620 0.000 1 632 130 130 GLU HA H 4.323 0.000 1 633 130 130 GLU C C 176.478 0.005 1 634 130 130 GLU CA C 56.366 0.000 1 635 130 130 GLU N N 123.090 0.000 1 636 131 131 GLU H H 8.501 0.002 1 637 131 131 GLU HA H 4.240 0.000 1 638 131 131 GLU C C 176.925 0.001 1 639 131 131 GLU CA C 56.733 0.000 1 640 131 131 GLU N N 121.935 0.000 1 641 132 132 GLY H H 8.486 0.001 1 642 132 132 GLY HA2 H 3.894 0.000 1 643 132 132 GLY HA3 H 3.894 0.000 1 644 132 132 GLY C C 173.900 0.002 1 645 132 132 GLY CA C 45.158 0.000 1 646 132 132 GLY N N 110.088 0.000 1 647 133 133 TYR H H 8.126 0.003 1 648 133 133 TYR HA H 4.503 0.001 1 649 133 133 TYR C C 175.810 0.010 1 650 133 133 TYR CA C 58.151 0.017 1 651 133 133 TYR N N 120.386 0.000 1 652 134 134 GLN H H 8.291 0.002 1 653 134 134 GLN HA H 4.236 0.001 1 654 134 134 GLN C C 174.893 0.000 1 655 134 134 GLN CA C 55.407 0.011 1 656 134 134 GLN N N 122.837 0.000 1 657 135 135 ASP H H 8.320 0.002 1 658 135 135 ASP HA H 4.537 0.001 1 659 135 135 ASP C C 175.403 0.009 1 660 135 135 ASP CA C 54.007 0.023 1 661 135 135 ASP N N 121.539 0.000 1 662 136 136 TYR H H 8.151 0.002 1 663 136 136 TYR HA H 4.548 0.002 1 664 136 136 TYR C C 175.139 0.006 1 665 136 136 TYR CA C 57.672 0.032 1 666 136 136 TYR N N 121.020 0.000 1 667 137 137 GLU H H 8.269 0.002 1 668 137 137 GLU N N 125.240 0.000 1 669 138 138 PRO HA H 4.336 0.004 1 670 138 138 PRO C C 176.880 0.005 1 671 138 138 PRO CA C 62.862 0.033 1 672 139 139 GLU H H 8.579 0.001 1 673 139 139 GLU HA H 4.235 0.000 1 674 139 139 GLU C C 175.380 0.001 1 675 139 139 GLU CA C 56.347 0.000 1 676 139 139 GLU N N 121.577 0.000 1 677 140 140 ALA H H 8.103 0.002 1 678 140 140 ALA HA H 4.106 0.002 1 679 140 140 ALA C C 182.503 0.000 1 680 140 140 ALA CA C 53.723 0.000 1 681 140 140 ALA N N 130.954 0.000 1 stop_ save_ save_assigned_chem_shift_list_17 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_5.42 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.125 0.002 1 2 1 1 MET C C 171.912 0.002 1 3 1 1 MET CA C 54.959 0.023 1 4 2 2 ASP H H 8.849 0.001 1 5 2 2 ASP HA H 4.710 0.002 1 6 2 2 ASP C C 175.802 0.011 1 7 2 2 ASP CA C 54.176 0.026 1 8 2 2 ASP N N 124.909 0.000 1 9 3 3 VAL H H 8.356 0.002 1 10 3 3 VAL HA H 4.020 0.000 1 11 3 3 VAL C C 175.928 0.001 1 12 3 3 VAL CA C 62.507 0.000 1 13 3 3 VAL N N 120.740 0.000 1 14 4 4 PHE H H 8.437 0.001 1 15 4 4 PHE HA H 4.602 0.002 1 16 4 4 PHE C C 175.822 0.001 1 17 4 4 PHE CA C 57.901 0.053 1 18 4 4 PHE N N 123.907 0.000 1 19 5 5 MET H H 8.296 0.001 1 20 5 5 MET HA H 4.387 0.001 1 21 5 5 MET C C 175.933 0.002 1 22 5 5 MET CA C 55.265 0.030 1 23 5 5 MET N N 122.679 0.000 1 24 6 6 LYS H H 8.357 0.000 1 25 6 6 LYS HA H 4.199 0.003 1 26 6 6 LYS C C 177.188 0.007 1 27 6 6 LYS CA C 56.865 0.047 1 28 6 6 LYS N N 122.919 0.000 1 29 7 7 GLY H H 8.495 0.002 1 30 7 7 GLY HA2 H 3.938 0.000 1 31 7 7 GLY HA3 H 3.938 0.000 1 32 7 7 GLY C C 174.185 0.007 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.086 0.000 1 35 8 8 LEU H H 8.145 0.001 1 36 8 8 LEU HA H 4.383 0.003 1 37 8 8 LEU C C 177.715 0.000 1 38 8 8 LEU CA C 55.108 0.048 1 39 8 8 LEU N N 121.676 0.000 1 40 9 9 SER H H 8.406 0.001 1 41 9 9 SER HA H 4.411 0.001 1 42 9 9 SER C C 174.601 0.006 1 43 9 9 SER CA C 58.356 0.053 1 44 9 9 SER N N 116.922 0.000 1 45 10 10 LYS H H 8.457 0.000 1 46 10 10 LYS HA H 4.365 0.000 1 47 10 10 LYS C C 176.752 0.004 1 48 10 10 LYS CA C 56.405 0.000 1 49 10 10 LYS N N 123.844 0.000 1 50 11 11 ALA H H 8.383 0.001 1 51 11 11 ALA HA H 4.247 0.000 1 52 11 11 ALA C C 177.983 0.001 1 53 11 11 ALA CA C 52.735 0.000 1 54 11 11 ALA N N 125.528 0.000 1 55 12 12 LYS H H 8.424 0.002 1 56 12 12 LYS HA H 4.246 0.000 1 57 12 12 LYS C C 176.763 0.000 1 58 12 12 LYS CA C 56.450 0.000 1 59 12 12 LYS N N 121.077 0.000 1 60 13 13 GLU H H 8.497 0.002 1 61 13 13 GLU C C 177.086 0.000 1 62 13 13 GLU CA C 56.768 0.000 1 63 13 13 GLU N N 122.332 0.000 1 64 14 14 GLY H H 8.544 0.001 1 65 14 14 GLY C C 174.076 0.000 1 66 14 14 GLY CA C 45.299 0.000 1 67 14 14 GLY N N 110.272 0.000 1 68 15 15 VAL H H 8.060 0.001 1 69 15 15 VAL HA H 4.084 0.000 1 70 15 15 VAL C C 176.660 0.093 1 71 15 15 VAL CA C 62.613 0.000 1 72 15 15 VAL N N 120.335 0.000 1 73 16 16 VAL H H 8.383 0.002 1 74 16 16 VAL C C 176.088 0.000 1 75 16 16 VAL CA C 62.546 0.000 1 76 16 16 VAL N N 125.528 0.000 1 77 17 17 ALA H H 8.532 0.001 1 78 17 17 ALA HA H 4.249 0.000 1 79 17 17 ALA C C 177.787 0.006 1 80 17 17 ALA CA C 52.641 0.000 1 81 17 17 ALA N N 128.664 0.000 1 82 18 18 ALA H H 8.398 0.000 1 83 18 18 ALA HA H 4.226 0.000 1 84 18 18 ALA C C 177.995 0.000 1 85 18 18 ALA CA C 52.765 0.000 1 86 18 18 ALA N N 123.841 0.000 1 87 19 19 ALA H H 8.357 0.002 1 88 19 19 ALA HA H 4.260 0.000 1 89 19 19 ALA C C 178.285 0.004 1 90 19 19 ALA CA C 52.861 0.000 1 91 19 19 ALA N N 123.259 0.000 1 92 20 20 GLU H H 8.404 0.002 1 93 20 20 GLU C C 176.994 0.000 1 94 20 20 GLU CA C 56.771 0.000 1 95 20 20 GLU N N 120.293 0.000 1 96 21 21 LYS H H 8.419 0.001 1 97 21 21 LYS HA H 4.324 0.000 1 98 21 21 LYS C C 177.248 0.001 1 99 21 21 LYS CA C 56.778 0.000 1 100 21 21 LYS N N 122.498 0.000 1 101 22 22 THR H H 8.216 0.001 1 102 22 22 THR HA H 4.272 0.000 1 103 22 22 THR C C 174.738 0.025 1 104 22 22 THR CA C 62.369 0.000 1 105 22 22 THR N N 115.559 0.000 1 106 23 23 LYS H H 8.432 0.002 1 107 23 23 LYS HA H 4.289 0.000 1 108 23 23 LYS C C 176.775 0.000 1 109 23 23 LYS CA C 56.804 0.000 1 110 23 23 LYS N N 123.920 0.000 1 111 24 24 GLN H H 8.509 0.002 1 112 24 24 GLN HA H 4.296 0.000 1 113 24 24 GLN C C 176.675 0.001 1 114 24 24 GLN CA C 56.308 0.000 1 115 24 24 GLN N N 122.229 0.000 1 116 25 25 GLY H H 8.557 0.000 1 117 25 25 GLY HA2 H 3.978 0.000 1 118 25 25 GLY HA3 H 3.978 0.000 1 119 25 25 GLY C C 174.332 0.001 1 120 25 25 GLY CA C 45.377 0.000 1 121 25 25 GLY N N 110.739 0.000 1 122 26 26 VAL H H 8.096 0.001 1 123 26 26 VAL HA H 4.061 0.000 1 124 26 26 VAL C C 176.478 0.005 1 125 26 26 VAL CA C 62.694 0.000 1 126 26 26 VAL N N 120.009 0.000 1 127 27 27 ALA H H 8.500 0.001 1 128 27 27 ALA HA H 4.286 0.000 1 129 27 27 ALA C C 178.234 0.003 1 130 27 27 ALA CA C 52.849 0.000 1 131 27 27 ALA N N 127.517 0.000 1 132 28 28 GLU H H 8.478 0.001 1 133 28 28 GLU HA H 4.192 0.000 1 134 28 28 GLU C C 176.736 0.004 1 135 28 28 GLU CA C 56.840 0.000 1 136 28 28 GLU N N 120.690 0.000 1 137 29 29 ALA H H 8.380 0.001 1 138 29 29 ALA HA H 4.263 0.000 1 139 29 29 ALA C C 177.832 0.005 1 140 29 29 ALA CA C 52.727 0.000 1 141 29 29 ALA N N 125.126 0.000 1 142 30 30 ALA H H 8.314 0.000 1 143 30 30 ALA HA H 4.287 0.000 1 144 30 30 ALA C C 178.555 0.001 1 145 30 30 ALA CA C 52.807 0.000 1 146 30 30 ALA N N 123.180 0.000 1 147 31 31 GLY H H 8.386 0.001 1 148 31 31 GLY HA2 H 3.926 0.000 1 149 31 31 GLY HA3 H 3.926 0.000 1 150 31 31 GLY C C 174.255 0.000 1 151 31 31 GLY CA C 45.348 0.000 1 152 31 31 GLY N N 107.882 0.000 1 153 32 32 LYS H H 8.178 0.001 1 154 32 32 LYS HA H 4.418 0.001 1 155 32 32 LYS C C 177.084 0.002 1 156 32 32 LYS CA C 56.250 0.008 1 157 32 32 LYS N N 120.807 0.000 1 158 33 33 THR H H 8.308 0.002 1 159 33 33 THR HA H 4.332 0.000 1 160 33 33 THR C C 174.722 0.001 1 161 33 33 THR CA C 61.990 0.000 1 162 33 33 THR N N 115.840 0.000 1 163 34 34 LYS H H 8.558 0.001 1 164 34 34 LYS C C 176.589 0.000 1 165 34 34 LYS CA C 56.555 0.000 1 166 34 34 LYS N N 124.021 0.000 1 167 35 35 GLU H H 8.523 0.003 1 168 35 35 GLU HA H 4.256 0.000 1 169 35 35 GLU C C 176.996 0.001 1 170 35 35 GLU CA C 56.521 0.000 1 171 35 35 GLU N N 122.096 0.000 1 172 36 36 GLY H H 8.513 0.005 1 173 36 36 GLY HA2 H 3.952 0.000 1 174 36 36 GLY HA3 H 3.952 0.000 1 175 36 36 GLY C C 174.060 0.007 1 176 36 36 GLY CA C 45.277 0.000 1 177 36 36 GLY N N 110.318 0.000 1 178 37 37 VAL H H 7.992 0.000 1 179 37 37 VAL HA H 4.055 0.000 1 180 37 37 VAL C C 176.013 0.011 1 181 37 37 VAL CA C 62.377 0.000 1 182 37 37 VAL N N 119.750 0.000 1 183 38 38 LEU H H 8.368 0.001 1 184 38 38 LEU HA H 4.342 0.002 1 185 38 38 LEU C C 176.728 0.005 1 186 38 38 LEU CA C 54.952 0.031 1 187 38 38 LEU N N 126.035 0.000 1 188 39 39 TYR H H 8.363 0.002 1 189 39 39 TYR HA H 4.580 0.002 1 190 39 39 TYR C C 175.629 0.003 1 191 39 39 TYR CA C 57.894 0.016 1 192 39 39 TYR N N 122.683 0.000 1 193 40 40 VAL H H 8.155 0.001 1 194 40 40 VAL HA H 4.052 0.000 1 195 40 40 VAL C C 176.172 0.006 1 196 40 40 VAL CA C 62.200 0.000 1 197 40 40 VAL N N 123.709 0.000 1 198 41 41 GLY H H 8.105 0.001 1 199 41 41 GLY HA2 H 3.927 0.000 1 200 41 41 GLY HA3 H 3.927 0.000 1 201 41 41 GLY C C 173.982 0.002 1 202 41 41 GLY CA C 45.131 0.000 1 203 41 41 GLY N N 112.301 0.000 1 204 42 42 SER H H 8.330 0.001 1 205 42 42 SER HA H 4.439 0.000 1 206 42 42 SER C C 174.843 0.000 1 207 42 42 SER CA C 58.367 0.025 1 208 42 42 SER N N 115.696 0.000 1 209 43 43 LYS H H 8.565 0.000 1 210 43 43 LYS HA H 4.416 0.003 1 211 43 43 LYS C C 176.945 0.002 1 212 43 43 LYS CA C 56.431 0.024 1 213 43 43 LYS N N 123.629 0.000 1 214 44 44 THR H H 8.251 0.001 1 215 44 44 THR HA H 4.305 0.000 1 216 44 44 THR C C 174.625 0.002 1 217 44 44 THR CA C 61.968 0.000 1 218 44 44 THR N N 115.728 0.000 1 219 45 45 LYS H H 8.510 0.000 1 220 45 45 LYS HA H 4.288 0.000 1 221 45 45 LYS C C 176.588 0.003 1 222 45 45 LYS CA C 56.486 0.000 1 223 45 45 LYS N N 124.011 0.000 1 224 46 46 GLU H H 8.536 0.002 1 225 46 46 GLU HA H 4.255 0.000 1 226 46 46 GLU C C 176.992 0.001 1 227 46 46 GLU CA C 56.545 0.000 1 228 46 46 GLU N N 122.377 0.000 1 229 47 47 GLY H H 8.514 0.006 1 230 47 47 GLY HA2 H 3.903 0.000 1 231 47 47 GLY HA3 H 3.903 0.000 1 232 47 47 GLY C C 173.896 0.012 1 233 47 47 GLY CA C 45.196 0.000 1 234 47 47 GLY N N 110.331 0.000 1 235 48 48 VAL H H 8.005 0.000 1 236 48 48 VAL HA H 4.089 0.000 1 237 48 48 VAL C C 176.157 0.001 1 238 48 48 VAL CA C 62.275 0.000 1 239 48 48 VAL N N 119.978 0.000 1 240 49 49 VAL H H 8.380 0.001 1 241 49 49 VAL HA H 4.055 0.000 1 242 49 49 VAL C C 176.000 0.002 1 243 49 49 VAL CA C 62.271 0.000 1 244 49 49 VAL N N 125.126 0.000 1 245 50 50 HIS H H 8.785 0.000 1 246 50 50 HIS HA H 4.709 0.015 1 247 50 50 HIS C C 174.846 0.003 1 248 50 50 HIS CA C 55.218 0.013 1 249 50 50 HIS N N 123.652 0.000 1 250 51 51 GLY H H 8.564 0.001 1 251 51 51 GLY HA2 H 3.991 0.000 1 252 51 51 GLY HA3 H 3.991 0.000 1 253 51 51 GLY C C 173.753 0.004 1 254 51 51 GLY CA C 45.059 0.000 1 255 51 51 GLY N N 110.741 0.000 1 256 52 52 VAL H H 8.188 0.001 1 257 52 52 VAL HA H 4.147 0.001 1 258 52 52 VAL C C 175.998 0.003 1 259 52 52 VAL CA C 61.980 0.037 1 260 52 52 VAL N N 119.749 0.000 1 261 53 53 ALA H H 8.583 0.003 1 262 53 53 ALA HA H 4.405 0.002 1 263 53 53 ALA C C 177.887 0.004 1 264 53 53 ALA CA C 52.391 0.010 1 265 53 53 ALA N N 128.482 0.000 1 266 54 54 THR H H 8.319 0.001 1 267 54 54 THR HA H 4.313 0.000 1 268 54 54 THR C C 174.590 0.003 1 269 54 54 THR CA C 61.856 0.000 1 270 54 54 THR N N 115.168 0.000 1 271 55 55 VAL H H 8.339 0.000 1 272 55 55 VAL C C 175.930 0.000 1 273 55 55 VAL CA C 62.432 0.000 1 274 55 55 VAL N N 123.318 0.000 1 275 56 56 ALA H H 8.513 0.000 1 276 56 56 ALA HA H 4.281 0.000 1 277 56 56 ALA C C 177.863 0.002 1 278 56 56 ALA CA C 52.566 0.000 1 279 56 56 ALA N N 128.302 0.000 1 280 57 57 GLU H H 8.450 0.001 1 281 57 57 GLU C C 176.757 0.000 1 282 57 57 GLU CA C 56.557 0.000 1 283 57 57 GLU N N 121.070 0.000 1 284 58 58 LYS H H 8.525 0.001 1 285 58 58 LYS HA H 4.348 0.000 1 286 58 58 LYS C C 177.057 0.008 1 287 58 58 LYS CA C 56.689 0.000 1 288 58 58 LYS N N 123.079 0.000 1 289 59 59 THR H H 8.301 0.006 1 290 59 59 THR HA H 4.271 0.000 1 291 59 59 THR C C 174.700 0.009 1 292 59 59 THR CA C 62.219 0.000 1 293 59 59 THR N N 116.254 0.000 1 294 60 60 LYS H H 8.474 0.000 1 295 60 60 LYS HA H 4.283 0.000 1 296 60 60 LYS C C 176.794 0.006 1 297 60 60 LYS CA C 56.682 0.000 1 298 60 60 LYS N N 123.854 0.000 1 299 61 61 GLU H H 8.514 0.001 1 300 61 61 GLU C C 176.582 0.000 1 301 61 61 GLU CA C 56.602 0.000 1 302 61 61 GLU N N 122.218 0.000 1 303 62 62 GLN H H 8.523 0.002 1 304 62 62 GLN HA H 4.337 0.000 1 305 62 62 GLN C C 176.022 0.003 1 306 62 62 GLN CA C 55.819 0.000 1 307 62 62 GLN N N 122.368 0.000 1 308 63 63 VAL H H 8.370 0.003 1 309 63 63 VAL HA H 4.186 0.002 1 310 63 63 VAL C C 176.411 0.008 1 311 63 63 VAL CA C 62.353 0.033 1 312 63 63 VAL N N 122.186 0.000 1 313 64 64 THR H H 8.385 0.000 1 314 64 64 THR HA H 4.361 0.000 1 315 64 64 THR C C 174.087 0.000 1 316 64 64 THR CA C 61.843 0.000 1 317 64 64 THR N N 118.372 0.000 1 318 65 65 ASN H H 8.601 0.000 1 319 65 65 ASN HA H 4.780 0.000 1 320 65 65 ASN C C 175.315 0.000 1 321 65 65 ASN CA C 53.102 0.002 1 322 65 65 ASN N N 121.993 0.000 1 323 66 66 VAL H H 8.329 0.001 1 324 66 66 VAL HA H 4.117 0.001 1 325 66 66 VAL C C 176.942 0.001 1 326 66 66 VAL CA C 62.678 0.039 1 327 66 66 VAL N N 120.970 0.000 1 328 67 67 GLY H H 8.639 0.001 1 329 67 67 GLY HA2 H 3.967 0.000 1 330 67 67 GLY HA3 H 3.967 0.000 1 331 67 67 GLY C C 174.713 0.001 1 332 67 67 GLY CA C 45.359 0.000 1 333 67 67 GLY N N 112.821 0.000 1 334 68 68 GLY H H 8.304 0.002 1 335 68 68 GLY HA2 H 3.940 0.000 1 336 68 68 GLY HA3 H 3.940 0.000 1 337 68 68 GLY C C 173.769 0.003 1 338 68 68 GLY CA C 45.007 0.000 1 339 68 68 GLY N N 108.918 0.000 1 340 69 69 ALA H H 8.239 0.000 1 341 69 69 ALA HA H 4.345 0.003 1 342 69 69 ALA C C 177.722 0.001 1 343 69 69 ALA CA C 52.308 0.013 1 344 69 69 ALA N N 123.874 0.000 1 345 70 70 VAL H H 8.307 0.001 1 346 70 70 VAL HA H 4.084 0.000 1 347 70 70 VAL C C 176.406 0.005 1 348 70 70 VAL CA C 62.427 0.000 1 349 70 70 VAL N N 120.777 0.000 1 350 71 71 VAL H H 8.488 0.002 1 351 71 71 VAL HA H 4.213 0.001 1 352 71 71 VAL C C 176.349 0.001 1 353 71 71 VAL CA C 62.121 0.021 1 354 71 71 VAL N N 125.779 0.000 1 355 72 72 THR H H 8.398 0.000 1 356 72 72 THR HA H 4.357 0.000 1 357 72 72 THR C C 174.948 0.004 1 358 72 72 THR CA C 61.888 0.000 1 359 72 72 THR N N 118.983 0.000 1 360 73 73 GLY H H 8.516 0.001 1 361 73 73 GLY HA2 H 3.986 0.000 1 362 73 73 GLY HA3 H 3.986 0.000 1 363 73 73 GLY C C 174.040 0.002 1 364 73 73 GLY CA C 45.211 0.000 1 365 73 73 GLY N N 111.514 0.000 1 366 74 74 VAL H H 8.164 0.001 1 367 74 74 VAL HA H 4.187 0.001 1 368 74 74 VAL C C 176.627 0.000 1 369 74 74 VAL CA C 62.330 0.010 1 370 74 74 VAL N N 119.699 0.000 1 371 75 75 THR H H 8.385 0.003 1 372 75 75 THR HA H 4.305 0.000 1 373 75 75 THR C C 174.110 0.005 1 374 75 75 THR CA C 61.985 0.000 1 375 75 75 THR N N 119.327 0.000 1 376 76 76 ALA H H 8.463 0.002 1 377 76 76 ALA HA H 4.341 0.000 1 378 76 76 ALA C C 177.628 0.001 1 379 76 76 ALA CA C 52.441 0.002 1 380 76 76 ALA N N 127.656 0.000 1 381 77 77 VAL H H 8.239 0.000 1 382 77 77 VAL HA H 4.046 0.000 1 383 77 77 VAL C C 176.078 0.003 1 384 77 77 VAL CA C 62.261 0.000 1 385 77 77 VAL N N 120.389 0.000 1 386 78 78 ALA H H 8.501 0.000 1 387 78 78 ALA HA H 4.286 0.000 1 388 78 78 ALA C C 177.702 0.002 1 389 78 78 ALA CA C 52.505 0.000 1 390 78 78 ALA N N 128.418 0.000 1 391 79 79 GLN H H 8.483 0.001 1 392 79 79 GLN HA H 4.286 0.000 1 393 79 79 GLN C C 176.015 0.004 1 394 79 79 GLN CA C 55.691 0.000 1 395 79 79 GLN N N 120.572 0.000 1 396 80 80 LYS H H 8.522 0.001 1 397 80 80 LYS HA H 4.365 0.000 1 398 80 80 LYS C C 176.751 0.003 1 399 80 80 LYS CA C 56.341 0.000 1 400 80 80 LYS N N 123.524 0.000 1 401 81 81 THR H H 8.380 0.000 1 402 81 81 THR HA H 4.338 0.000 1 403 81 81 THR C C 174.482 0.001 1 404 81 81 THR CA C 61.987 0.000 1 405 81 81 THR N N 117.228 0.000 1 406 82 82 VAL H H 8.396 0.001 1 407 82 82 VAL HA H 4.111 0.000 1 408 82 82 VAL C C 176.209 0.001 1 409 82 82 VAL CA C 62.326 0.000 1 410 82 82 VAL N N 123.348 0.000 1 411 83 83 GLU H H 8.655 0.001 1 412 83 83 GLU HA H 4.266 0.000 1 413 83 83 GLU C C 177.060 0.004 1 414 83 83 GLU CA C 56.767 0.000 1 415 83 83 GLU N N 125.540 0.000 1 416 84 84 GLY H H 8.603 0.001 1 417 84 84 GLY HA2 H 3.952 0.000 1 418 84 84 GLY HA3 H 3.952 0.000 1 419 84 84 GLY C C 174.185 0.004 1 420 84 84 GLY CA C 45.247 0.000 1 421 84 84 GLY N N 110.898 0.000 1 422 85 85 ALA H H 8.342 0.001 1 423 85 85 ALA HA H 4.301 0.000 1 424 85 85 ALA C C 178.577 0.000 1 425 85 85 ALA CA C 52.920 0.000 1 426 85 85 ALA N N 124.052 0.000 1 427 86 86 GLY H H 8.578 0.002 1 428 86 86 GLY HA2 H 3.965 0.000 1 429 86 86 GLY HA3 H 3.965 0.000 1 430 86 86 GLY C C 174.335 0.004 1 431 86 86 GLY CA C 45.275 0.000 1 432 86 86 GLY N N 108.342 0.000 1 433 87 87 SER H H 8.221 0.000 1 434 87 87 SER HA H 4.457 0.001 1 435 87 87 SER C C 174.751 0.004 1 436 87 87 SER CA C 58.365 0.035 1 437 87 87 SER N N 115.806 0.000 1 438 88 88 ILE H H 8.275 0.001 1 439 88 88 ILE HA H 4.163 0.001 1 440 88 88 ILE C C 176.336 0.000 1 441 88 88 ILE CA C 61.285 0.036 1 442 88 88 ILE N N 122.956 0.000 1 443 89 89 ALA H H 8.434 0.000 1 444 89 89 ALA HA H 4.243 0.000 1 445 89 89 ALA C C 177.626 0.001 1 446 89 89 ALA CA C 52.612 0.000 1 447 89 89 ALA N N 128.302 0.000 1 448 90 90 ALA H H 8.297 0.002 1 449 90 90 ALA HA H 4.249 0.000 1 450 90 90 ALA C C 177.792 0.001 1 451 90 90 ALA CA C 52.442 0.000 1 452 90 90 ALA N N 123.524 0.000 1 453 91 91 ALA H H 8.374 0.000 1 454 91 91 ALA HA H 4.351 0.002 1 455 91 91 ALA C C 178.202 0.001 1 456 91 91 ALA CA C 52.597 0.033 1 457 91 91 ALA N N 123.618 0.000 1 458 92 92 THR H H 8.181 0.000 1 459 92 92 THR HA H 4.300 0.000 1 460 92 92 THR C C 175.212 0.001 1 461 92 92 THR CA C 62.035 0.000 1 462 92 92 THR N N 112.877 0.000 1 463 93 93 GLY H H 8.382 0.001 1 464 93 93 GLY HA2 H 3.907 0.000 1 465 93 93 GLY HA3 H 3.907 0.000 1 466 93 93 GLY C C 173.647 0.003 1 467 93 93 GLY CA C 45.145 0.000 1 468 93 93 GLY N N 110.839 0.000 1 469 94 94 PHE H H 8.163 0.001 1 470 94 94 PHE HA H 4.604 0.001 1 471 94 94 PHE C C 175.532 0.003 1 472 94 94 PHE CA C 57.847 0.001 1 473 94 94 PHE N N 120.459 0.000 1 474 95 95 VAL H H 8.134 0.001 1 475 95 95 VAL HA H 4.001 0.000 1 476 95 95 VAL C C 175.428 0.003 1 477 95 95 VAL CA C 62.044 0.000 1 478 95 95 VAL N N 124.105 0.000 1 479 96 96 LYS H H 8.478 0.002 1 480 96 96 LYS HA H 4.214 0.000 1 481 96 96 LYS C C 176.512 0.006 1 482 96 96 LYS CA C 56.476 0.000 1 483 96 96 LYS N N 126.677 0.000 1 484 97 97 LYS H H 8.558 0.000 1 485 97 97 LYS HA H 4.292 0.000 1 486 97 97 LYS C C 176.417 0.005 1 487 97 97 LYS CA C 56.500 0.000 1 488 97 97 LYS N N 124.021 0.000 1 489 98 98 ASP H H 8.487 0.001 1 490 98 98 ASP HA H 4.562 0.004 1 491 98 98 ASP C C 176.243 0.003 1 492 98 98 ASP CA C 54.356 0.033 1 493 98 98 ASP N N 121.384 0.000 1 494 99 99 GLN H H 8.430 0.001 1 495 99 99 GLN HA H 4.313 0.000 1 496 99 99 GLN C C 176.081 0.004 1 497 99 99 GLN CA C 55.893 0.000 1 498 99 99 GLN N N 120.383 0.000 1 499 100 100 LEU H H 8.378 0.001 1 500 100 100 LEU HA H 4.333 0.001 1 501 100 100 LEU C C 178.055 0.001 1 502 100 100 LEU CA C 55.340 0.009 1 503 100 100 LEU N N 122.975 0.000 1 504 101 101 GLY H H 8.549 0.001 1 505 101 101 GLY HA2 H 3.939 0.000 1 506 101 101 GLY HA3 H 3.939 0.000 1 507 101 101 GLY C C 174.130 0.001 1 508 101 101 GLY CA C 45.288 0.000 1 509 101 101 GLY N N 109.926 0.000 1 510 102 102 LYS H H 8.289 0.001 1 511 102 102 LYS HA H 4.306 0.000 1 512 102 102 LYS C C 176.529 0.000 1 513 102 102 LYS CA C 56.221 0.000 1 514 102 102 LYS N N 120.856 0.000 1 515 103 103 ASN H H 8.699 0.001 1 516 103 103 ASN HA H 4.684 0.003 1 517 103 103 ASN C C 175.373 0.002 1 518 103 103 ASN CA C 53.331 0.008 1 519 103 103 ASN N N 120.079 0.000 1 520 104 104 GLU H H 8.545 0.002 1 521 104 104 GLU HA H 4.298 0.000 1 522 104 104 GLU C C 176.580 0.003 1 523 104 104 GLU CA C 56.489 0.000 1 524 104 104 GLU N N 121.456 0.000 1 525 105 105 GLU H H 8.538 0.002 1 526 105 105 GLU C C 177.044 0.000 1 527 105 105 GLU CA C 56.520 0.000 1 528 105 105 GLU N N 121.917 0.000 1 529 106 106 GLY H H 8.513 0.001 1 530 106 106 GLY HA2 H 3.926 0.000 1 531 106 106 GLY HA3 H 3.926 0.000 1 532 106 106 GLY C C 173.469 0.003 1 533 106 106 GLY CA C 44.991 0.000 1 534 106 106 GLY N N 110.122 0.000 1 535 107 107 ALA H H 8.192 0.000 1 536 107 107 ALA N N 125.032 0.000 1 537 108 108 PRO HA H 4.425 0.005 1 538 108 108 PRO C C 177.087 0.005 1 539 108 108 PRO CA C 63.048 0.037 1 540 109 109 GLN H H 8.669 0.001 1 541 109 109 GLN HA H 4.297 0.000 1 542 109 109 GLN C C 176.032 0.001 1 543 109 109 GLN CA C 55.709 0.000 1 544 109 109 GLN N N 121.338 0.000 1 545 110 110 GLU H H 8.602 0.001 1 546 110 110 GLU HA H 4.302 0.000 1 547 110 110 GLU C C 176.770 0.003 1 548 110 110 GLU CA C 56.500 0.000 1 549 110 110 GLU N N 122.657 0.000 1 550 111 111 GLY H H 8.516 0.001 1 551 111 111 GLY HA2 H 3.937 0.000 1 552 111 111 GLY HA3 H 3.937 0.000 1 553 111 111 GLY C C 173.811 0.003 1 554 111 111 GLY CA C 45.240 0.000 1 555 111 111 GLY N N 110.208 0.000 1 556 112 112 ILE H H 8.071 0.000 1 557 112 112 ILE HA H 4.169 0.001 1 558 112 112 ILE C C 176.340 0.003 1 559 112 112 ILE CA C 60.920 0.034 1 560 112 112 ILE N N 120.273 0.000 1 561 113 113 LEU H H 8.488 0.000 1 562 113 113 LEU HA H 4.386 0.000 1 563 113 113 LEU C C 177.209 0.004 1 564 113 113 LEU CA C 55.043 0.016 1 565 113 113 LEU N N 127.152 0.000 1 566 114 114 GLU H H 8.489 0.002 1 567 114 114 GLU HA H 4.261 0.000 1 568 114 114 GLU C C 175.877 0.002 1 569 114 114 GLU CA C 56.320 0.000 1 570 114 114 GLU N N 122.312 0.000 1 571 115 115 ASP H H 8.443 0.001 1 572 115 115 ASP HA H 4.573 0.001 1 573 115 115 ASP C C 175.750 0.003 1 574 115 115 ASP CA C 54.175 0.003 1 575 115 115 ASP N N 121.461 0.000 1 576 116 116 MET H H 8.342 0.000 1 577 116 116 MET N N 122.151 0.000 1 578 117 117 PRO HA H 4.450 0.001 1 579 117 117 PRO C C 176.754 0.001 1 580 117 117 PRO CA C 62.874 0.032 1 581 118 118 VAL H H 8.396 0.002 1 582 118 118 VAL HA H 4.050 0.000 1 583 118 118 VAL C C 175.825 0.000 1 584 118 118 VAL CA C 61.990 0.000 1 585 118 118 VAL N N 121.101 0.000 1 586 119 119 ASP H H 8.620 0.001 1 587 119 119 ASP N N 126.109 0.000 1 588 120 120 PRO HA H 4.334 0.002 1 589 120 120 PRO C C 176.958 0.001 1 590 120 120 PRO CA C 63.475 0.037 1 591 121 121 ASP H H 8.451 0.000 1 592 121 121 ASP HA H 4.602 0.000 1 593 121 121 ASP C C 176.099 0.000 1 594 121 121 ASP CA C 54.415 0.030 1 595 121 121 ASP N N 119.258 0.000 1 596 122 122 ASN H H 8.189 0.000 1 597 122 122 ASN HA H 4.687 0.000 1 598 122 122 ASN C C 175.442 0.000 1 599 122 122 ASN CA C 53.383 0.062 1 600 122 122 ASN N N 119.288 0.000 1 601 123 123 GLU H H 8.431 0.001 1 602 123 123 GLU HA H 4.214 0.000 1 603 123 123 GLU C C 176.079 0.001 1 604 123 123 GLU CA C 56.258 0.000 1 605 123 123 GLU N N 121.708 0.000 1 606 124 124 ALA H H 8.307 0.001 1 607 124 124 ALA HA H 4.272 0.000 1 608 124 124 ALA C C 177.306 0.002 1 609 124 124 ALA CA C 52.408 0.000 1 610 124 124 ALA N N 124.506 0.000 1 611 125 125 TYR H H 8.103 0.001 1 612 125 125 TYR HA H 4.514 0.001 1 613 125 125 TYR C C 175.403 0.002 1 614 125 125 TYR CA C 57.786 0.035 1 615 125 125 TYR N N 120.000 0.000 1 616 126 126 GLU H H 8.170 0.000 1 617 126 126 GLU HA H 4.258 0.003 1 618 126 126 GLU C C 175.402 0.001 1 619 126 126 GLU CA C 55.486 0.022 1 620 126 126 GLU N N 123.785 0.000 1 621 127 127 MET H H 8.487 0.001 1 622 127 127 MET N N 123.929 0.000 1 623 128 128 PRO HA H 4.425 0.005 1 624 128 128 PRO C C 176.945 0.002 1 625 128 128 PRO CA C 63.049 0.038 1 626 129 129 SER H H 8.558 0.000 1 627 129 129 SER HA H 4.405 0.002 1 628 129 129 SER C C 174.867 0.003 1 629 129 129 SER CA C 58.341 0.021 1 630 129 129 SER N N 116.800 0.000 1 631 130 130 GLU H H 8.637 0.000 1 632 130 130 GLU HA H 4.324 0.000 1 633 130 130 GLU C C 176.495 0.021 1 634 130 130 GLU CA C 56.362 0.000 1 635 130 130 GLU N N 123.204 0.000 1 636 131 131 GLU H H 8.504 0.006 1 637 131 131 GLU HA H 4.245 0.000 1 638 131 131 GLU C C 176.968 0.001 1 639 131 131 GLU CA C 56.768 0.000 1 640 131 131 GLU N N 121.935 0.000 1 641 132 132 GLY H H 8.491 0.005 1 642 132 132 GLY HA2 H 3.894 0.000 1 643 132 132 GLY HA3 H 3.894 0.000 1 644 132 132 GLY C C 173.886 0.004 1 645 132 132 GLY CA C 45.153 0.000 1 646 132 132 GLY N N 110.088 0.000 1 647 133 133 TYR H H 8.135 0.000 1 648 133 133 TYR HA H 4.500 0.002 1 649 133 133 TYR C C 175.798 0.012 1 650 133 133 TYR CA C 58.161 0.038 1 651 133 133 TYR N N 120.420 0.000 1 652 134 134 GLN H H 8.294 0.002 1 653 134 134 GLN HA H 4.241 0.003 1 654 134 134 GLN C C 174.875 0.006 1 655 134 134 GLN CA C 55.380 0.020 1 656 134 134 GLN N N 122.943 0.000 1 657 135 135 ASP H H 8.318 0.000 1 658 135 135 ASP HA H 4.530 0.005 1 659 135 135 ASP C C 175.461 0.006 1 660 135 135 ASP CA C 54.068 0.023 1 661 135 135 ASP N N 121.662 0.000 1 662 136 136 TYR H H 8.143 0.001 1 663 136 136 TYR HA H 4.550 0.001 1 664 136 136 TYR C C 175.138 0.004 1 665 136 136 TYR CA C 57.631 0.025 1 666 136 136 TYR N N 120.931 0.000 1 667 137 137 GLU H H 8.292 0.000 1 668 137 137 GLU N N 125.379 0.000 1 669 138 138 PRO HA H 4.338 0.003 1 670 138 138 PRO C C 176.894 0.000 1 671 138 138 PRO CA C 62.861 0.039 1 672 139 139 GLU H H 8.588 0.001 1 673 139 139 GLU HA H 4.226 0.000 1 674 139 139 GLU C C 175.409 0.003 1 675 139 139 GLU CA C 56.429 0.000 1 676 139 139 GLU N N 121.645 0.000 1 677 140 140 ALA H H 8.097 0.001 1 678 140 140 ALA HA H 4.102 0.002 1 679 140 140 ALA C C 182.555 0.000 1 680 140 140 ALA CA C 53.756 0.000 1 681 140 140 ALA N N 131.025 0.000 1 stop_ save_ save_assigned_chem_shift_list_18 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_5.57 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.123 0.000 1 2 1 1 MET C C 171.954 0.001 1 3 1 1 MET CA C 54.962 0.027 1 4 2 2 ASP H H 8.846 0.003 1 5 2 2 ASP HA H 4.711 0.000 1 6 2 2 ASP C C 175.814 0.000 1 7 2 2 ASP CA C 54.180 0.031 1 8 2 2 ASP N N 124.915 0.000 1 9 3 3 VAL H H 8.355 0.004 1 10 3 3 VAL HA H 4.020 0.000 1 11 3 3 VAL C C 175.931 0.003 1 12 3 3 VAL CA C 62.507 0.000 1 13 3 3 VAL N N 120.727 0.000 1 14 4 4 PHE H H 8.438 0.001 1 15 4 4 PHE HA H 4.602 0.000 1 16 4 4 PHE C C 175.827 0.007 1 17 4 4 PHE CA C 57.916 0.061 1 18 4 4 PHE N N 123.907 0.000 1 19 5 5 MET H H 8.298 0.001 1 20 5 5 MET HA H 4.387 0.001 1 21 5 5 MET C C 175.933 0.001 1 22 5 5 MET CA C 55.267 0.033 1 23 5 5 MET N N 122.676 0.000 1 24 6 6 LYS H H 8.357 0.000 1 25 6 6 LYS HA H 4.200 0.002 1 26 6 6 LYS C C 177.190 0.010 1 27 6 6 LYS CA C 56.865 0.047 1 28 6 6 LYS N N 122.919 0.000 1 29 7 7 GLY H H 8.498 0.000 1 30 7 7 GLY HA2 H 3.938 0.000 1 31 7 7 GLY HA3 H 3.938 0.000 1 32 7 7 GLY C C 174.186 0.007 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.103 0.000 1 35 8 8 LEU H H 8.145 0.002 1 36 8 8 LEU HA H 4.383 0.003 1 37 8 8 LEU C C 177.716 0.001 1 38 8 8 LEU CA C 55.107 0.047 1 39 8 8 LEU N N 121.682 0.000 1 40 9 9 SER H H 8.406 0.001 1 41 9 9 SER HA H 4.409 0.004 1 42 9 9 SER C C 174.611 0.004 1 43 9 9 SER CA C 58.350 0.059 1 44 9 9 SER N N 116.922 0.000 1 45 10 10 LYS H H 8.458 0.000 1 46 10 10 LYS HA H 4.365 0.000 1 47 10 10 LYS C C 176.752 0.004 1 48 10 10 LYS CA C 56.405 0.000 1 49 10 10 LYS N N 123.844 0.000 1 50 11 11 ALA H H 8.383 0.002 1 51 11 11 ALA HA H 4.247 0.000 1 52 11 11 ALA C C 177.981 0.001 1 53 11 11 ALA CA C 52.727 0.000 1 54 11 11 ALA N N 125.547 0.000 1 55 12 12 LYS H H 8.428 0.000 1 56 12 12 LYS HA H 4.261 0.000 1 57 12 12 LYS C C 176.764 0.001 1 58 12 12 LYS CA C 56.446 0.000 1 59 12 12 LYS N N 121.087 0.000 1 60 13 13 GLU H H 8.497 0.003 1 61 13 13 GLU C C 177.091 0.000 1 62 13 13 GLU CA C 56.766 0.000 1 63 13 13 GLU N N 122.332 0.000 1 64 14 14 GLY H H 8.547 0.001 1 65 14 14 GLY C C 174.076 0.000 1 66 14 14 GLY CA C 45.309 0.000 1 67 14 14 GLY N N 110.286 0.000 1 68 15 15 VAL H H 8.059 0.000 1 69 15 15 VAL HA H 4.081 0.000 1 70 15 15 VAL C C 176.564 0.003 1 71 15 15 VAL CA C 62.622 0.000 1 72 15 15 VAL N N 120.335 0.000 1 73 16 16 VAL H H 8.383 0.001 1 74 16 16 VAL C C 176.088 0.000 1 75 16 16 VAL CA C 62.546 0.000 1 76 16 16 VAL N N 125.547 0.000 1 77 17 17 ALA H H 8.534 0.001 1 78 17 17 ALA HA H 4.257 0.000 1 79 17 17 ALA C C 177.776 0.003 1 80 17 17 ALA CA C 52.641 0.000 1 81 17 17 ALA N N 128.669 0.000 1 82 18 18 ALA H H 8.401 0.003 1 83 18 18 ALA HA H 4.226 0.000 1 84 18 18 ALA C C 177.993 0.002 1 85 18 18 ALA CA C 52.772 0.000 1 86 18 18 ALA N N 123.841 0.000 1 87 19 19 ALA H H 8.358 0.000 1 88 19 19 ALA HA H 4.260 0.000 1 89 19 19 ALA C C 178.286 0.004 1 90 19 19 ALA CA C 52.847 0.000 1 91 19 19 ALA N N 123.279 0.000 1 92 20 20 GLU H H 8.405 0.000 1 93 20 20 GLU C C 177.003 0.000 1 94 20 20 GLU CA C 56.802 0.000 1 95 20 20 GLU N N 120.293 0.000 1 96 21 21 LYS H H 8.419 0.001 1 97 21 21 LYS HA H 4.321 0.000 1 98 21 21 LYS C C 177.250 0.002 1 99 21 21 LYS CA C 56.776 0.000 1 100 21 21 LYS N N 122.511 0.000 1 101 22 22 THR H H 8.217 0.001 1 102 22 22 THR HA H 4.256 0.000 1 103 22 22 THR C C 174.752 0.011 1 104 22 22 THR CA C 62.369 0.000 1 105 22 22 THR N N 115.569 0.000 1 106 23 23 LYS H H 8.433 0.001 1 107 23 23 LYS HA H 4.277 0.000 1 108 23 23 LYS C C 176.779 0.003 1 109 23 23 LYS CA C 56.804 0.000 1 110 23 23 LYS N N 123.927 0.000 1 111 24 24 GLN H H 8.510 0.000 1 112 24 24 GLN HA H 4.296 0.000 1 113 24 24 GLN C C 176.675 0.001 1 114 24 24 GLN CA C 56.308 0.000 1 115 24 24 GLN N N 122.335 0.000 1 116 25 25 GLY H H 8.558 0.001 1 117 25 25 GLY HA2 H 3.978 0.000 1 118 25 25 GLY HA3 H 3.978 0.000 1 119 25 25 GLY C C 174.332 0.002 1 120 25 25 GLY CA C 45.361 0.000 1 121 25 25 GLY N N 110.727 0.000 1 122 26 26 VAL H H 8.096 0.000 1 123 26 26 VAL HA H 4.062 0.000 1 124 26 26 VAL C C 176.485 0.005 1 125 26 26 VAL CA C 62.689 0.000 1 126 26 26 VAL N N 120.029 0.000 1 127 27 27 ALA H H 8.501 0.000 1 128 27 27 ALA HA H 4.282 0.000 1 129 27 27 ALA C C 178.242 0.001 1 130 27 27 ALA CA C 52.848 0.000 1 131 27 27 ALA N N 127.531 0.000 1 132 28 28 GLU H H 8.481 0.002 1 133 28 28 GLU HA H 4.193 0.000 1 134 28 28 GLU C C 176.759 0.005 1 135 28 28 GLU CA C 56.852 0.000 1 136 28 28 GLU N N 120.738 0.000 1 137 29 29 ALA H H 8.380 0.002 1 138 29 29 ALA HA H 4.263 0.000 1 139 29 29 ALA C C 177.834 0.007 1 140 29 29 ALA CA C 52.727 0.000 1 141 29 29 ALA N N 125.157 0.000 1 142 30 30 ALA H H 8.314 0.000 1 143 30 30 ALA HA H 4.287 0.000 1 144 30 30 ALA C C 178.555 0.001 1 145 30 30 ALA CA C 52.821 0.000 1 146 30 30 ALA N N 123.167 0.000 1 147 31 31 GLY H H 8.388 0.002 1 148 31 31 GLY HA2 H 3.926 0.000 1 149 31 31 GLY HA3 H 3.926 0.000 1 150 31 31 GLY C C 174.254 0.000 1 151 31 31 GLY CA C 45.348 0.000 1 152 31 31 GLY N N 107.886 0.000 1 153 32 32 LYS H H 8.178 0.000 1 154 32 32 LYS HA H 4.420 0.003 1 155 32 32 LYS C C 177.084 0.001 1 156 32 32 LYS CA C 56.238 0.004 1 157 32 32 LYS N N 120.814 0.000 1 158 33 33 THR H H 8.313 0.001 1 159 33 33 THR HA H 4.328 0.000 1 160 33 33 THR C C 174.719 0.005 1 161 33 33 THR CA C 61.990 0.000 1 162 33 33 THR N N 115.826 0.000 1 163 34 34 LYS H H 8.561 0.000 1 164 34 34 LYS C C 176.598 0.000 1 165 34 34 LYS CA C 56.565 0.000 1 166 34 34 LYS N N 124.026 0.000 1 167 35 35 GLU H H 8.532 0.001 1 168 35 35 GLU HA H 4.256 0.000 1 169 35 35 GLU C C 176.997 0.000 1 170 35 35 GLU CA C 56.521 0.000 1 171 35 35 GLU N N 122.132 0.000 1 172 36 36 GLY H H 8.513 0.002 1 173 36 36 GLY HA2 H 3.952 0.000 1 174 36 36 GLY HA3 H 3.952 0.000 1 175 36 36 GLY C C 174.059 0.008 1 176 36 36 GLY CA C 45.277 0.000 1 177 36 36 GLY N N 110.381 0.000 1 178 37 37 VAL H H 7.991 0.001 1 179 37 37 VAL HA H 4.059 0.000 1 180 37 37 VAL C C 176.013 0.009 1 181 37 37 VAL CA C 62.377 0.000 1 182 37 37 VAL N N 119.756 0.000 1 183 38 38 LEU H H 8.369 0.001 1 184 38 38 LEU HA H 4.341 0.003 1 185 38 38 LEU C C 176.725 0.004 1 186 38 38 LEU CA C 54.944 0.030 1 187 38 38 LEU N N 126.036 0.000 1 188 39 39 TYR H H 8.361 0.001 1 189 39 39 TYR HA H 4.580 0.002 1 190 39 39 TYR C C 175.629 0.003 1 191 39 39 TYR CA C 57.904 0.027 1 192 39 39 TYR N N 122.712 0.000 1 193 40 40 VAL H H 8.156 0.001 1 194 40 40 VAL HA H 4.058 0.000 1 195 40 40 VAL C C 176.169 0.008 1 196 40 40 VAL CA C 62.214 0.000 1 197 40 40 VAL N N 123.709 0.000 1 198 41 41 GLY H H 8.105 0.001 1 199 41 41 GLY HA2 H 3.927 0.000 1 200 41 41 GLY HA3 H 3.927 0.000 1 201 41 41 GLY C C 173.983 0.003 1 202 41 41 GLY CA C 45.143 0.000 1 203 41 41 GLY N N 112.311 0.000 1 204 42 42 SER H H 8.331 0.001 1 205 42 42 SER HA H 4.444 0.000 1 206 42 42 SER C C 174.845 0.002 1 207 42 42 SER CA C 58.371 0.023 1 208 42 42 SER N N 115.696 0.000 1 209 43 43 LYS H H 8.565 0.001 1 210 43 43 LYS HA H 4.415 0.003 1 211 43 43 LYS C C 176.945 0.000 1 212 43 43 LYS CA C 56.435 0.029 1 213 43 43 LYS N N 123.631 0.000 1 214 44 44 THR H H 8.252 0.001 1 215 44 44 THR HA H 4.311 0.000 1 216 44 44 THR C C 174.624 0.008 1 217 44 44 THR CA C 61.968 0.000 1 218 44 44 THR N N 115.744 0.000 1 219 45 45 LYS H H 8.513 0.001 1 220 45 45 LYS HA H 4.289 0.000 1 221 45 45 LYS C C 176.596 0.001 1 222 45 45 LYS CA C 56.488 0.000 1 223 45 45 LYS N N 124.022 0.000 1 224 46 46 GLU H H 8.542 0.001 1 225 46 46 GLU HA H 4.255 0.000 1 226 46 46 GLU C C 176.995 0.002 1 227 46 46 GLU CA C 56.541 0.000 1 228 46 46 GLU N N 122.380 0.000 1 229 47 47 GLY H H 8.512 0.001 1 230 47 47 GLY HA2 H 3.904 0.000 1 231 47 47 GLY HA3 H 3.904 0.000 1 232 47 47 GLY C C 173.894 0.017 1 233 47 47 GLY CA C 45.196 0.000 1 234 47 47 GLY N N 110.384 0.000 1 235 48 48 VAL H H 8.003 0.001 1 236 48 48 VAL HA H 4.092 0.000 1 237 48 48 VAL C C 176.160 0.005 1 238 48 48 VAL CA C 62.273 0.000 1 239 48 48 VAL N N 120.003 0.000 1 240 49 49 VAL H H 8.382 0.000 1 241 49 49 VAL HA H 4.059 0.000 1 242 49 49 VAL C C 175.997 0.007 1 243 49 49 VAL CA C 62.264 0.000 1 244 49 49 VAL N N 125.157 0.000 1 245 50 50 HIS H H 8.775 0.001 1 246 50 50 HIS HA H 4.704 0.016 1 247 50 50 HIS C C 174.865 0.023 1 248 50 50 HIS CA C 55.288 0.031 1 249 50 50 HIS N N 123.730 0.000 1 250 51 51 GLY H H 8.557 0.002 1 251 51 51 GLY HA2 H 3.987 0.000 1 252 51 51 GLY HA3 H 3.987 0.000 1 253 51 51 GLY C C 173.754 0.004 1 254 51 51 GLY CA C 45.059 0.000 1 255 51 51 GLY N N 110.727 0.000 1 256 52 52 VAL H H 8.184 0.000 1 257 52 52 VAL HA H 4.146 0.001 1 258 52 52 VAL C C 175.998 0.003 1 259 52 52 VAL CA C 61.981 0.036 1 260 52 52 VAL N N 119.759 0.000 1 261 53 53 ALA H H 8.583 0.004 1 262 53 53 ALA HA H 4.403 0.003 1 263 53 53 ALA C C 177.891 0.001 1 264 53 53 ALA CA C 52.394 0.008 1 265 53 53 ALA N N 128.478 0.000 1 266 54 54 THR H H 8.320 0.003 1 267 54 54 THR HA H 4.313 0.000 1 268 54 54 THR C C 174.590 0.003 1 269 54 54 THR CA C 61.876 0.000 1 270 54 54 THR N N 115.186 0.000 1 271 55 55 VAL H H 8.339 0.000 1 272 55 55 VAL HA H 4.081 0.000 1 273 55 55 VAL C C 175.921 0.004 1 274 55 55 VAL CA C 62.428 0.000 1 275 55 55 VAL N N 123.341 0.000 1 276 56 56 ALA H H 8.516 0.001 1 277 56 56 ALA HA H 4.281 0.000 1 278 56 56 ALA C C 177.853 0.006 1 279 56 56 ALA CA C 52.570 0.000 1 280 56 56 ALA N N 128.342 0.000 1 281 57 57 GLU H H 8.454 0.001 1 282 57 57 GLU C C 176.757 0.000 1 283 57 57 GLU CA C 56.557 0.000 1 284 57 57 GLU N N 121.084 0.000 1 285 58 58 LYS H H 8.525 0.001 1 286 58 58 LYS HA H 4.347 0.000 1 287 58 58 LYS C C 177.055 0.001 1 288 58 58 LYS CA C 56.761 0.000 1 289 58 58 LYS N N 123.087 0.000 1 290 59 59 THR H H 8.303 0.002 1 291 59 59 THR HA H 4.273 0.000 1 292 59 59 THR C C 174.697 0.007 1 293 59 59 THR CA C 62.219 0.000 1 294 59 59 THR N N 116.265 0.000 1 295 60 60 LYS H H 8.475 0.000 1 296 60 60 LYS HA H 4.283 0.000 1 297 60 60 LYS C C 176.795 0.007 1 298 60 60 LYS CA C 56.682 0.000 1 299 60 60 LYS N N 123.884 0.000 1 300 61 61 GLU H H 8.515 0.002 1 301 61 61 GLU C C 176.591 0.000 1 302 61 61 GLU CA C 56.602 0.000 1 303 61 61 GLU N N 122.377 0.000 1 304 62 62 GLN H H 8.523 0.000 1 305 62 62 GLN HA H 4.336 0.000 1 306 62 62 GLN C C 176.032 0.011 1 307 62 62 GLN CA C 55.815 0.000 1 308 62 62 GLN N N 122.375 0.000 1 309 63 63 VAL H H 8.372 0.003 1 310 63 63 VAL HA H 4.186 0.002 1 311 63 63 VAL C C 176.411 0.008 1 312 63 63 VAL CA C 62.353 0.033 1 313 63 63 VAL N N 122.192 0.000 1 314 64 64 THR H H 8.387 0.001 1 315 64 64 THR HA H 4.359 0.000 1 316 64 64 THR C C 174.089 0.000 1 317 64 64 THR CA C 61.851 0.000 1 318 64 64 THR N N 118.378 0.000 1 319 65 65 ASN H H 8.603 0.000 1 320 65 65 ASN HA H 4.778 0.000 1 321 65 65 ASN C C 175.315 0.000 1 322 65 65 ASN CA C 53.090 0.018 1 323 65 65 ASN N N 121.990 0.000 1 324 66 66 VAL H H 8.329 0.001 1 325 66 66 VAL HA H 4.115 0.003 1 326 66 66 VAL C C 176.944 0.002 1 327 66 66 VAL CA C 62.680 0.039 1 328 66 66 VAL N N 120.971 0.000 1 329 67 67 GLY H H 8.639 0.001 1 330 67 67 GLY HA2 H 3.966 0.000 1 331 67 67 GLY HA3 H 3.966 0.000 1 332 67 67 GLY C C 174.713 0.002 1 333 67 67 GLY CA C 45.359 0.000 1 334 67 67 GLY N N 112.818 0.000 1 335 68 68 GLY H H 8.305 0.003 1 336 68 68 GLY HA2 H 3.941 0.000 1 337 68 68 GLY HA3 H 3.941 0.000 1 338 68 68 GLY C C 173.769 0.001 1 339 68 68 GLY CA C 45.002 0.000 1 340 68 68 GLY N N 108.924 0.000 1 341 69 69 ALA H H 8.240 0.000 1 342 69 69 ALA HA H 4.348 0.000 1 343 69 69 ALA C C 177.724 0.002 1 344 69 69 ALA CA C 52.308 0.013 1 345 69 69 ALA N N 123.874 0.000 1 346 70 70 VAL H H 8.307 0.001 1 347 70 70 VAL HA H 4.086 0.000 1 348 70 70 VAL C C 176.406 0.004 1 349 70 70 VAL CA C 62.427 0.000 1 350 70 70 VAL N N 120.777 0.000 1 351 71 71 VAL H H 8.488 0.001 1 352 71 71 VAL HA H 4.212 0.003 1 353 71 71 VAL C C 176.354 0.005 1 354 71 71 VAL CA C 62.121 0.021 1 355 71 71 VAL N N 125.782 0.000 1 356 72 72 THR H H 8.399 0.001 1 357 72 72 THR HA H 4.358 0.000 1 358 72 72 THR C C 174.946 0.003 1 359 72 72 THR CA C 61.888 0.000 1 360 72 72 THR N N 118.981 0.000 1 361 73 73 GLY H H 8.517 0.002 1 362 73 73 GLY HA2 H 3.986 0.000 1 363 73 73 GLY HA3 H 3.986 0.000 1 364 73 73 GLY C C 174.041 0.002 1 365 73 73 GLY CA C 45.211 0.000 1 366 73 73 GLY N N 111.524 0.000 1 367 74 74 VAL H H 8.164 0.001 1 368 74 74 VAL HA H 4.186 0.002 1 369 74 74 VAL C C 176.627 0.003 1 370 74 74 VAL CA C 62.336 0.016 1 371 74 74 VAL N N 119.729 0.000 1 372 75 75 THR H H 8.387 0.003 1 373 75 75 THR HA H 4.304 0.000 1 374 75 75 THR C C 174.106 0.008 1 375 75 75 THR CA C 61.990 0.000 1 376 75 75 THR N N 119.344 0.000 1 377 76 76 ALA H H 8.464 0.003 1 378 76 76 ALA HA H 4.340 0.001 1 379 76 76 ALA C C 177.625 0.002 1 380 76 76 ALA CA C 52.444 0.002 1 381 76 76 ALA N N 127.656 0.000 1 382 77 77 VAL H H 8.240 0.002 1 383 77 77 VAL HA H 4.047 0.000 1 384 77 77 VAL C C 176.077 0.002 1 385 77 77 VAL CA C 62.261 0.000 1 386 77 77 VAL N N 120.400 0.000 1 387 78 78 ALA H H 8.501 0.001 1 388 78 78 ALA HA H 4.278 0.000 1 389 78 78 ALA C C 177.699 0.001 1 390 78 78 ALA CA C 52.512 0.000 1 391 78 78 ALA N N 128.418 0.000 1 392 79 79 GLN H H 8.483 0.003 1 393 79 79 GLN HA H 4.285 0.000 1 394 79 79 GLN C C 176.013 0.002 1 395 79 79 GLN CA C 55.691 0.000 1 396 79 79 GLN N N 120.564 0.000 1 397 80 80 LYS H H 8.523 0.002 1 398 80 80 LYS HA H 4.365 0.000 1 399 80 80 LYS C C 176.751 0.003 1 400 80 80 LYS CA C 56.341 0.000 1 401 80 80 LYS N N 123.539 0.000 1 402 81 81 THR H H 8.382 0.001 1 403 81 81 THR HA H 4.340 0.000 1 404 81 81 THR C C 174.478 0.005 1 405 81 81 THR CA C 61.987 0.000 1 406 81 81 THR N N 117.244 0.000 1 407 82 82 VAL H H 8.397 0.002 1 408 82 82 VAL HA H 4.114 0.000 1 409 82 82 VAL C C 176.210 0.003 1 410 82 82 VAL CA C 62.325 0.000 1 411 82 82 VAL N N 123.349 0.000 1 412 83 83 GLU H H 8.656 0.000 1 413 83 83 GLU HA H 4.260 0.000 1 414 83 83 GLU C C 177.075 0.001 1 415 83 83 GLU CA C 56.792 0.000 1 416 83 83 GLU N N 125.557 0.000 1 417 84 84 GLY H H 8.603 0.000 1 418 84 84 GLY HA2 H 3.951 0.000 1 419 84 84 GLY HA3 H 3.951 0.000 1 420 84 84 GLY C C 174.194 0.002 1 421 84 84 GLY CA C 45.247 0.000 1 422 84 84 GLY N N 110.903 0.000 1 423 85 85 ALA H H 8.341 0.001 1 424 85 85 ALA HA H 4.301 0.000 1 425 85 85 ALA C C 178.576 0.001 1 426 85 85 ALA CA C 52.919 0.000 1 427 85 85 ALA N N 124.052 0.000 1 428 86 86 GLY H H 8.578 0.003 1 429 86 86 GLY HA2 H 3.965 0.000 1 430 86 86 GLY HA3 H 3.965 0.000 1 431 86 86 GLY C C 174.335 0.004 1 432 86 86 GLY CA C 45.266 0.000 1 433 86 86 GLY N N 108.330 0.000 1 434 87 87 SER H H 8.222 0.002 1 435 87 87 SER HA H 4.460 0.002 1 436 87 87 SER C C 174.749 0.006 1 437 87 87 SER CA C 58.367 0.040 1 438 87 87 SER N N 115.821 0.000 1 439 88 88 ILE H H 8.276 0.000 1 440 88 88 ILE HA H 4.165 0.000 1 441 88 88 ILE C C 176.338 0.001 1 442 88 88 ILE CA C 61.285 0.031 1 443 88 88 ILE N N 122.972 0.000 1 444 89 89 ALA H H 8.434 0.001 1 445 89 89 ALA HA H 4.245 0.000 1 446 89 89 ALA C C 177.625 0.001 1 447 89 89 ALA CA C 52.612 0.000 1 448 89 89 ALA N N 128.312 0.000 1 449 90 90 ALA H H 8.301 0.000 1 450 90 90 ALA HA H 4.249 0.000 1 451 90 90 ALA C C 177.791 0.003 1 452 90 90 ALA CA C 52.442 0.000 1 453 90 90 ALA N N 123.543 0.000 1 454 91 91 ALA H H 8.376 0.002 1 455 91 91 ALA HA H 4.349 0.003 1 456 91 91 ALA C C 178.204 0.001 1 457 91 91 ALA CA C 52.596 0.032 1 458 91 91 ALA N N 123.637 0.000 1 459 92 92 THR H H 8.183 0.000 1 460 92 92 THR HA H 4.300 0.000 1 461 92 92 THR C C 175.212 0.001 1 462 92 92 THR CA C 62.035 0.000 1 463 92 92 THR N N 112.884 0.000 1 464 93 93 GLY H H 8.383 0.002 1 465 93 93 GLY HA2 H 3.907 0.000 1 466 93 93 GLY HA3 H 3.907 0.000 1 467 93 93 GLY C C 173.645 0.002 1 468 93 93 GLY CA C 45.145 0.000 1 469 93 93 GLY N N 110.849 0.000 1 470 94 94 PHE H H 8.163 0.001 1 471 94 94 PHE HA H 4.604 0.002 1 472 94 94 PHE C C 175.529 0.006 1 473 94 94 PHE CA C 57.862 0.007 1 474 94 94 PHE N N 120.459 0.000 1 475 95 95 VAL H H 8.134 0.001 1 476 95 95 VAL HA H 4.001 0.000 1 477 95 95 VAL C C 175.423 0.002 1 478 95 95 VAL CA C 62.036 0.000 1 479 95 95 VAL N N 124.105 0.000 1 480 96 96 LYS H H 8.482 0.001 1 481 96 96 LYS HA H 4.214 0.000 1 482 96 96 LYS C C 176.514 0.006 1 483 96 96 LYS CA C 56.460 0.000 1 484 96 96 LYS N N 126.683 0.000 1 485 97 97 LYS H H 8.560 0.002 1 486 97 97 LYS HA H 4.293 0.000 1 487 97 97 LYS C C 176.411 0.002 1 488 97 97 LYS CA C 56.500 0.000 1 489 97 97 LYS N N 124.026 0.000 1 490 98 98 ASP H H 8.487 0.001 1 491 98 98 ASP HA H 4.560 0.006 1 492 98 98 ASP C C 176.248 0.005 1 493 98 98 ASP CA C 54.355 0.061 1 494 98 98 ASP N N 121.407 0.000 1 495 99 99 GLN H H 8.429 0.001 1 496 99 99 GLN HA H 4.312 0.000 1 497 99 99 GLN C C 176.081 0.004 1 498 99 99 GLN CA C 55.893 0.000 1 499 99 99 GLN N N 120.359 0.000 1 500 100 100 LEU H H 8.380 0.000 1 501 100 100 LEU HA H 4.337 0.001 1 502 100 100 LEU C C 178.055 0.001 1 503 100 100 LEU CA C 55.337 0.014 1 504 100 100 LEU N N 122.991 0.000 1 505 101 101 GLY H H 8.553 0.001 1 506 101 101 GLY HA2 H 3.939 0.000 1 507 101 101 GLY HA3 H 3.939 0.000 1 508 101 101 GLY C C 174.127 0.004 1 509 101 101 GLY CA C 45.288 0.000 1 510 101 101 GLY N N 109.936 0.000 1 511 102 102 LYS H H 8.289 0.000 1 512 102 102 LYS HA H 4.306 0.000 1 513 102 102 LYS C C 176.527 0.002 1 514 102 102 LYS CA C 56.222 0.000 1 515 102 102 LYS N N 120.876 0.000 1 516 103 103 ASN H H 8.702 0.002 1 517 103 103 ASN HA H 4.691 0.003 1 518 103 103 ASN C C 175.395 0.022 1 519 103 103 ASN CA C 53.327 0.007 1 520 103 103 ASN N N 120.115 0.000 1 521 104 104 GLU H H 8.549 0.001 1 522 104 104 GLU HA H 4.295 0.000 1 523 104 104 GLU C C 176.597 0.003 1 524 104 104 GLU CA C 56.489 0.000 1 525 104 104 GLU N N 121.491 0.000 1 526 105 105 GLU H H 8.538 0.002 1 527 105 105 GLU C C 177.062 0.000 1 528 105 105 GLU CA C 56.520 0.000 1 529 105 105 GLU N N 121.942 0.000 1 530 106 106 GLY H H 8.513 0.001 1 531 106 106 GLY HA2 H 3.927 0.000 1 532 106 106 GLY HA3 H 3.927 0.000 1 533 106 106 GLY C C 173.472 0.001 1 534 106 106 GLY CA C 44.991 0.000 1 535 106 106 GLY N N 110.122 0.000 1 536 107 107 ALA H H 8.195 0.002 1 537 107 107 ALA N N 125.040 0.000 1 538 108 108 PRO HA H 4.428 0.005 1 539 108 108 PRO C C 177.088 0.003 1 540 108 108 PRO CA C 63.041 0.047 1 541 109 109 GLN H H 8.673 0.001 1 542 109 109 GLN HA H 4.297 0.000 1 543 109 109 GLN C C 176.034 0.000 1 544 109 109 GLN CA C 55.690 0.000 1 545 109 109 GLN N N 121.360 0.000 1 546 110 110 GLU H H 8.607 0.001 1 547 110 110 GLU HA H 4.287 0.000 1 548 110 110 GLU C C 176.797 0.003 1 549 110 110 GLU CA C 56.500 0.000 1 550 110 110 GLU N N 122.717 0.000 1 551 111 111 GLY H H 8.516 0.001 1 552 111 111 GLY HA2 H 3.937 0.000 1 553 111 111 GLY HA3 H 3.937 0.000 1 554 111 111 GLY C C 173.805 0.003 1 555 111 111 GLY CA C 45.240 0.000 1 556 111 111 GLY N N 110.208 0.000 1 557 112 112 ILE H H 8.078 0.001 1 558 112 112 ILE HA H 4.168 0.002 1 559 112 112 ILE C C 176.338 0.000 1 560 112 112 ILE CA C 60.900 0.031 1 561 112 112 ILE N N 120.339 0.000 1 562 113 113 LEU H H 8.495 0.002 1 563 113 113 LEU HA H 4.386 0.001 1 564 113 113 LEU C C 177.206 0.005 1 565 113 113 LEU CA C 55.043 0.017 1 566 113 113 LEU N N 127.234 0.000 1 567 114 114 GLU H H 8.492 0.001 1 568 114 114 GLU HA H 4.264 0.000 1 569 114 114 GLU C C 175.890 0.008 1 570 114 114 GLU CA C 56.363 0.000 1 571 114 114 GLU N N 122.328 0.000 1 572 115 115 ASP H H 8.443 0.003 1 573 115 115 ASP HA H 4.572 0.000 1 574 115 115 ASP C C 175.796 0.005 1 575 115 115 ASP CA C 54.224 0.006 1 576 115 115 ASP N N 121.541 0.000 1 577 116 116 MET H H 8.346 0.001 1 578 116 116 MET N N 122.184 0.000 1 579 117 117 PRO HA H 4.450 0.001 1 580 117 117 PRO C C 176.756 0.001 1 581 117 117 PRO CA C 62.875 0.032 1 582 118 118 VAL H H 8.397 0.001 1 583 118 118 VAL HA H 4.052 0.000 1 584 118 118 VAL C C 175.830 0.001 1 585 118 118 VAL CA C 61.948 0.000 1 586 118 118 VAL N N 121.123 0.000 1 587 119 119 ASP H H 8.620 0.002 1 588 119 119 ASP N N 126.183 0.000 1 589 120 120 PRO HA H 4.334 0.002 1 590 120 120 PRO C C 176.953 0.004 1 591 120 120 PRO CA C 63.458 0.040 1 592 121 121 ASP H H 8.454 0.000 1 593 121 121 ASP HA H 4.600 0.000 1 594 121 121 ASP C C 176.141 0.000 1 595 121 121 ASP CA C 54.442 0.033 1 596 121 121 ASP N N 119.337 0.000 1 597 122 122 ASN H H 8.189 0.001 1 598 122 122 ASN HA H 4.688 0.000 1 599 122 122 ASN C C 175.439 0.000 1 600 122 122 ASN CA C 53.386 0.067 1 601 122 122 ASN N N 119.305 0.000 1 602 123 123 GLU H H 8.439 0.000 1 603 123 123 GLU HA H 4.218 0.000 1 604 123 123 GLU C C 176.096 0.003 1 605 123 123 GLU CA C 56.234 0.000 1 606 123 123 GLU N N 121.800 0.000 1 607 124 124 ALA H H 8.309 0.002 1 608 124 124 ALA HA H 4.275 0.000 1 609 124 124 ALA C C 177.281 0.004 1 610 124 124 ALA CA C 52.347 0.000 1 611 124 124 ALA N N 124.579 0.000 1 612 125 125 TYR H H 8.111 0.000 1 613 125 125 TYR HA H 4.510 0.009 1 614 125 125 TYR C C 175.394 0.002 1 615 125 125 TYR CA C 57.772 0.027 1 616 125 125 TYR N N 120.063 0.000 1 617 126 126 GLU H H 8.184 0.001 1 618 126 126 GLU HA H 4.250 0.001 1 619 126 126 GLU C C 175.417 0.002 1 620 126 126 GLU CA C 55.523 0.001 1 621 126 126 GLU N N 123.919 0.000 1 622 127 127 MET H H 8.495 0.001 1 623 127 127 MET N N 124.015 0.000 1 624 128 128 PRO HA H 4.425 0.008 1 625 128 128 PRO C C 176.938 0.007 1 626 128 128 PRO CA C 63.035 0.041 1 627 129 129 SER H H 8.567 0.001 1 628 129 129 SER HA H 4.404 0.002 1 629 129 129 SER C C 174.861 0.000 1 630 129 129 SER CA C 58.317 0.006 1 631 129 129 SER N N 116.885 0.000 1 632 130 130 GLU H H 8.647 0.000 1 633 130 130 GLU HA H 4.320 0.000 1 634 130 130 GLU C C 176.507 0.023 1 635 130 130 GLU CA C 56.386 0.000 1 636 130 130 GLU N N 123.278 0.000 1 637 131 131 GLU H H 8.515 0.004 1 638 131 131 GLU HA H 4.244 0.000 1 639 131 131 GLU C C 176.988 0.005 1 640 131 131 GLU CA C 56.794 0.000 1 641 131 131 GLU N N 121.939 0.000 1 642 132 132 GLY H H 8.494 0.002 1 643 132 132 GLY HA2 H 3.894 0.000 1 644 132 132 GLY HA3 H 3.894 0.000 1 645 132 132 GLY C C 173.882 0.000 1 646 132 132 GLY CA C 45.138 0.000 1 647 132 132 GLY N N 110.102 0.000 1 648 133 133 TYR H H 8.140 0.001 1 649 133 133 TYR HA H 4.500 0.002 1 650 133 133 TYR C C 175.790 0.003 1 651 133 133 TYR CA C 58.152 0.029 1 652 133 133 TYR N N 120.430 0.000 1 653 134 134 GLN H H 8.292 0.001 1 654 134 134 GLN HA H 4.242 0.004 1 655 134 134 GLN C C 174.871 0.000 1 656 134 134 GLN CA C 55.370 0.010 1 657 134 134 GLN N N 122.943 0.000 1 658 135 135 ASP H H 8.317 0.001 1 659 135 135 ASP HA H 4.529 0.004 1 660 135 135 ASP C C 175.514 0.000 1 661 135 135 ASP CA C 54.111 0.014 1 662 135 135 ASP N N 121.754 0.000 1 663 136 136 TYR H H 8.138 0.001 1 664 136 136 TYR HA H 4.553 0.000 1 665 136 136 TYR C C 175.137 0.007 1 666 136 136 TYR CA C 57.608 0.029 1 667 136 136 TYR N N 120.845 0.000 1 668 137 137 GLU H H 8.308 0.001 1 669 137 137 GLU N N 125.455 0.000 1 670 138 138 PRO HA H 4.341 0.002 1 671 138 138 PRO C C 176.899 0.001 1 672 138 138 PRO CA C 62.858 0.037 1 673 139 139 GLU H H 8.593 0.001 1 674 139 139 GLU HA H 4.223 0.000 1 675 139 139 GLU C C 175.430 0.004 1 676 139 139 GLU CA C 56.485 0.000 1 677 139 139 GLU N N 121.703 0.000 1 678 140 140 ALA H H 8.095 0.001 1 679 140 140 ALA HA H 4.102 0.001 1 680 140 140 ALA C C 182.589 0.000 1 681 140 140 ALA CA C 53.774 0.000 1 682 140 140 ALA N N 131.060 0.000 1 stop_ save_ save_assigned_chem_shift_list_19 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_5.71 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.119 0.003 1 2 1 1 MET C C 171.990 0.005 1 3 1 1 MET CA C 54.968 0.027 1 4 2 2 ASP H H 8.845 0.006 1 5 2 2 ASP HA H 4.704 0.006 1 6 2 2 ASP C C 175.808 0.006 1 7 2 2 ASP CA C 54.189 0.030 1 8 2 2 ASP N N 124.898 0.000 1 9 3 3 VAL H H 8.355 0.003 1 10 3 3 VAL HA H 4.020 0.000 1 11 3 3 VAL C C 175.929 0.000 1 12 3 3 VAL CA C 62.507 0.000 1 13 3 3 VAL N N 120.715 0.000 1 14 4 4 PHE H H 8.438 0.002 1 15 4 4 PHE HA H 4.600 0.002 1 16 4 4 PHE C C 175.831 0.004 1 17 4 4 PHE CA C 57.903 0.052 1 18 4 4 PHE N N 123.907 0.000 1 19 5 5 MET H H 8.297 0.000 1 20 5 5 MET HA H 4.387 0.001 1 21 5 5 MET C C 175.936 0.004 1 22 5 5 MET CA C 55.273 0.038 1 23 5 5 MET N N 122.680 0.000 1 24 6 6 LYS H H 8.354 0.002 1 25 6 6 LYS HA H 4.200 0.002 1 26 6 6 LYS C C 177.189 0.011 1 27 6 6 LYS CA C 56.865 0.047 1 28 6 6 LYS N N 122.905 0.000 1 29 7 7 GLY H H 8.498 0.000 1 30 7 7 GLY HA2 H 3.939 0.000 1 31 7 7 GLY HA3 H 3.939 0.000 1 32 7 7 GLY C C 174.194 0.001 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.103 0.000 1 35 8 8 LEU H H 8.144 0.001 1 36 8 8 LEU HA H 4.383 0.004 1 37 8 8 LEU C C 177.724 0.004 1 38 8 8 LEU CA C 55.108 0.048 1 39 8 8 LEU N N 121.666 0.000 1 40 9 9 SER H H 8.405 0.001 1 41 9 9 SER HA H 4.411 0.003 1 42 9 9 SER C C 174.594 0.010 1 43 9 9 SER CA C 58.352 0.064 1 44 9 9 SER N N 116.914 0.000 1 45 10 10 LYS H H 8.458 0.001 1 46 10 10 LYS HA H 4.367 0.000 1 47 10 10 LYS C C 176.750 0.004 1 48 10 10 LYS CA C 56.405 0.000 1 49 10 10 LYS N N 123.844 0.000 1 50 11 11 ALA H H 8.384 0.002 1 51 11 11 ALA HA H 4.247 0.000 1 52 11 11 ALA C C 177.981 0.001 1 53 11 11 ALA CA C 52.727 0.000 1 54 11 11 ALA N N 125.543 0.000 1 55 12 12 LYS H H 8.427 0.000 1 56 12 12 LYS HA H 4.266 0.000 1 57 12 12 LYS C C 176.761 0.002 1 58 12 12 LYS CA C 56.446 0.000 1 59 12 12 LYS N N 121.087 0.000 1 60 13 13 GLU H H 8.498 0.001 1 61 13 13 GLU C C 177.095 0.000 1 62 13 13 GLU CA C 56.766 0.000 1 63 13 13 GLU N N 122.342 0.000 1 64 14 14 GLY H H 8.546 0.002 1 65 14 14 GLY C C 174.076 0.000 1 66 14 14 GLY CA C 45.309 0.000 1 67 14 14 GLY N N 110.269 0.000 1 68 15 15 VAL H H 8.058 0.002 1 69 15 15 VAL HA H 4.080 0.000 1 70 15 15 VAL C C 176.561 0.001 1 71 15 15 VAL CA C 62.622 0.000 1 72 15 15 VAL N N 120.338 0.000 1 73 16 16 VAL H H 8.383 0.001 1 74 16 16 VAL C C 176.083 0.000 1 75 16 16 VAL CA C 62.546 0.000 1 76 16 16 VAL N N 125.543 0.000 1 77 17 17 ALA H H 8.534 0.002 1 78 17 17 ALA HA H 4.257 0.000 1 79 17 17 ALA C C 177.770 0.008 1 80 17 17 ALA CA C 52.641 0.000 1 81 17 17 ALA N N 128.658 0.000 1 82 18 18 ALA H H 8.402 0.002 1 83 18 18 ALA HA H 4.227 0.000 1 84 18 18 ALA C C 177.985 0.006 1 85 18 18 ALA CA C 52.772 0.000 1 86 18 18 ALA N N 123.840 0.000 1 87 19 19 ALA H H 8.358 0.000 1 88 19 19 ALA HA H 4.268 0.000 1 89 19 19 ALA C C 178.288 0.004 1 90 19 19 ALA CA C 52.847 0.000 1 91 19 19 ALA N N 123.279 0.000 1 92 20 20 GLU H H 8.408 0.002 1 93 20 20 GLU C C 177.004 0.000 1 94 20 20 GLU CA C 56.786 0.000 1 95 20 20 GLU N N 120.296 0.000 1 96 21 21 LYS H H 8.420 0.002 1 97 21 21 LYS HA H 4.320 0.000 1 98 21 21 LYS C C 177.245 0.007 1 99 21 21 LYS CA C 56.792 0.000 1 100 21 21 LYS N N 122.505 0.000 1 101 22 22 THR H H 8.218 0.002 1 102 22 22 THR HA H 4.268 0.000 1 103 22 22 THR C C 174.755 0.008 1 104 22 22 THR CA C 62.369 0.000 1 105 22 22 THR N N 115.559 0.000 1 106 23 23 LYS H H 8.431 0.003 1 107 23 23 LYS HA H 4.277 0.000 1 108 23 23 LYS C C 176.779 0.003 1 109 23 23 LYS CA C 56.804 0.000 1 110 23 23 LYS N N 123.937 0.000 1 111 24 24 GLN H H 8.510 0.000 1 112 24 24 GLN HA H 4.296 0.000 1 113 24 24 GLN C C 176.677 0.003 1 114 24 24 GLN CA C 56.308 0.000 1 115 24 24 GLN N N 122.335 0.000 1 116 25 25 GLY H H 8.558 0.002 1 117 25 25 GLY HA2 H 3.978 0.000 1 118 25 25 GLY HA3 H 3.978 0.000 1 119 25 25 GLY C C 174.332 0.002 1 120 25 25 GLY CA C 45.361 0.000 1 121 25 25 GLY N N 110.717 0.000 1 122 26 26 VAL H H 8.097 0.001 1 123 26 26 VAL HA H 4.063 0.000 1 124 26 26 VAL C C 176.487 0.007 1 125 26 26 VAL CA C 62.701 0.000 1 126 26 26 VAL N N 120.006 0.000 1 127 27 27 ALA H H 8.501 0.001 1 128 27 27 ALA HA H 4.283 0.000 1 129 27 27 ALA C C 178.252 0.008 1 130 27 27 ALA CA C 52.851 0.000 1 131 27 27 ALA N N 127.523 0.000 1 132 28 28 GLU H H 8.482 0.001 1 133 28 28 GLU HA H 4.200 0.000 1 134 28 28 GLU C C 176.752 0.002 1 135 28 28 GLU CA C 56.874 0.000 1 136 28 28 GLU N N 120.735 0.000 1 137 29 29 ALA H H 8.381 0.002 1 138 29 29 ALA HA H 4.262 0.000 1 139 29 29 ALA C C 177.839 0.000 1 140 29 29 ALA CA C 52.727 0.000 1 141 29 29 ALA N N 125.153 0.000 1 142 30 30 ALA H H 8.313 0.000 1 143 30 30 ALA HA H 4.287 0.000 1 144 30 30 ALA C C 178.554 0.001 1 145 30 30 ALA CA C 52.821 0.000 1 146 30 30 ALA N N 123.160 0.000 1 147 31 31 GLY H H 8.386 0.001 1 148 31 31 GLY HA2 H 3.926 0.000 1 149 31 31 GLY HA3 H 3.926 0.000 1 150 31 31 GLY C C 174.254 0.000 1 151 31 31 GLY CA C 45.328 0.000 1 152 31 31 GLY N N 107.883 0.000 1 153 32 32 LYS H H 8.178 0.002 1 154 32 32 LYS HA H 4.418 0.001 1 155 32 32 LYS C C 177.082 0.000 1 156 32 32 LYS CA C 56.236 0.006 1 157 32 32 LYS N N 120.801 0.000 1 158 33 33 THR H H 8.311 0.002 1 159 33 33 THR HA H 4.337 0.000 1 160 33 33 THR C C 174.723 0.005 1 161 33 33 THR CA C 61.990 0.000 1 162 33 33 THR N N 115.829 0.000 1 163 34 34 LYS H H 8.561 0.001 1 164 34 34 LYS C C 176.598 0.000 1 165 34 34 LYS CA C 56.565 0.000 1 166 34 34 LYS N N 124.036 0.000 1 167 35 35 GLU H H 8.533 0.002 1 168 35 35 GLU HA H 4.256 0.000 1 169 35 35 GLU C C 176.997 0.000 1 170 35 35 GLU CA C 56.521 0.000 1 171 35 35 GLU N N 122.139 0.000 1 172 36 36 GLY H H 8.513 0.002 1 173 36 36 GLY HA2 H 3.951 0.000 1 174 36 36 GLY HA3 H 3.951 0.000 1 175 36 36 GLY C C 174.060 0.009 1 176 36 36 GLY CA C 45.277 0.000 1 177 36 36 GLY N N 110.364 0.000 1 178 37 37 VAL H H 7.992 0.001 1 179 37 37 VAL HA H 4.056 0.000 1 180 37 37 VAL C C 176.012 0.010 1 181 37 37 VAL CA C 62.377 0.000 1 182 37 37 VAL N N 119.757 0.000 1 183 38 38 LEU H H 8.369 0.001 1 184 38 38 LEU HA H 4.316 0.028 1 185 38 38 LEU C C 176.726 0.007 1 186 38 38 LEU CA C 54.949 0.025 1 187 38 38 LEU N N 126.048 0.000 1 188 39 39 TYR H H 8.360 0.000 1 189 39 39 TYR HA H 4.582 0.001 1 190 39 39 TYR C C 175.632 0.003 1 191 39 39 TYR CA C 57.911 0.034 1 192 39 39 TYR N N 122.695 0.000 1 193 40 40 VAL H H 8.156 0.002 1 194 40 40 VAL HA H 4.049 0.000 1 195 40 40 VAL C C 176.174 0.003 1 196 40 40 VAL CA C 62.212 0.000 1 197 40 40 VAL N N 123.708 0.000 1 198 41 41 GLY H H 8.105 0.001 1 199 41 41 GLY HA2 H 3.927 0.000 1 200 41 41 GLY HA3 H 3.927 0.000 1 201 41 41 GLY C C 173.983 0.003 1 202 41 41 GLY CA C 45.143 0.000 1 203 41 41 GLY N N 112.301 0.000 1 204 42 42 SER H H 8.330 0.001 1 205 42 42 SER HA H 4.443 0.000 1 206 42 42 SER C C 174.844 0.000 1 207 42 42 SER CA C 58.368 0.021 1 208 42 42 SER N N 115.720 0.000 1 209 43 43 LYS H H 8.566 0.001 1 210 43 43 LYS HA H 4.417 0.004 1 211 43 43 LYS C C 176.942 0.003 1 212 43 43 LYS CA C 56.425 0.019 1 213 43 43 LYS N N 123.624 0.000 1 214 44 44 THR H H 8.254 0.001 1 215 44 44 THR HA H 4.306 0.000 1 216 44 44 THR C C 174.618 0.011 1 217 44 44 THR CA C 61.968 0.000 1 218 44 44 THR N N 115.725 0.000 1 219 45 45 LYS H H 8.513 0.001 1 220 45 45 LYS HA H 4.289 0.000 1 221 45 45 LYS C C 176.596 0.001 1 222 45 45 LYS CA C 56.488 0.000 1 223 45 45 LYS N N 124.022 0.000 1 224 46 46 GLU H H 8.542 0.001 1 225 46 46 GLU HA H 4.255 0.000 1 226 46 46 GLU C C 176.995 0.002 1 227 46 46 GLU CA C 56.541 0.000 1 228 46 46 GLU N N 122.380 0.000 1 229 47 47 GLY H H 8.511 0.001 1 230 47 47 GLY HA2 H 3.903 0.000 1 231 47 47 GLY HA3 H 3.903 0.000 1 232 47 47 GLY C C 173.892 0.019 1 233 47 47 GLY CA C 45.196 0.000 1 234 47 47 GLY N N 110.357 0.000 1 235 48 48 VAL H H 8.003 0.001 1 236 48 48 VAL HA H 4.084 0.000 1 237 48 48 VAL C C 176.149 0.003 1 238 48 48 VAL CA C 62.273 0.000 1 239 48 48 VAL N N 120.000 0.000 1 240 49 49 VAL H H 8.382 0.001 1 241 49 49 VAL HA H 4.056 0.000 1 242 49 49 VAL C C 175.996 0.005 1 243 49 49 VAL CA C 62.278 0.000 1 244 49 49 VAL N N 125.153 0.000 1 245 50 50 HIS H H 8.766 0.002 1 246 50 50 HIS HA H 4.714 0.000 1 247 50 50 HIS C C 174.938 0.000 1 248 50 50 HIS CA C 55.337 0.042 1 249 50 50 HIS N N 123.784 0.000 1 250 51 51 GLY H H 8.552 0.004 1 251 51 51 GLY HA2 H 3.988 0.000 1 252 51 51 GLY HA3 H 3.988 0.000 1 253 51 51 GLY C C 173.765 0.007 1 254 51 51 GLY CA C 45.059 0.000 1 255 51 51 GLY N N 110.717 0.000 1 256 52 52 VAL H H 8.182 0.003 1 257 52 52 VAL HA H 4.144 0.002 1 258 52 52 VAL C C 176.004 0.002 1 259 52 52 VAL CA C 61.988 0.046 1 260 52 52 VAL N N 119.756 0.000 1 261 53 53 ALA H H 8.585 0.001 1 262 53 53 ALA HA H 4.405 0.001 1 263 53 53 ALA C C 177.891 0.001 1 264 53 53 ALA CA C 52.394 0.007 1 265 53 53 ALA N N 128.473 0.000 1 266 54 54 THR H H 8.320 0.003 1 267 54 54 THR HA H 4.313 0.000 1 268 54 54 THR C C 174.589 0.004 1 269 54 54 THR CA C 61.883 0.000 1 270 54 54 THR N N 115.177 0.000 1 271 55 55 VAL H H 8.339 0.001 1 272 55 55 VAL C C 175.922 0.000 1 273 55 55 VAL CA C 62.428 0.000 1 274 55 55 VAL N N 123.341 0.000 1 275 56 56 ALA H H 8.514 0.002 1 276 56 56 ALA HA H 4.281 0.000 1 277 56 56 ALA C C 177.858 0.001 1 278 56 56 ALA CA C 52.552 0.000 1 279 56 56 ALA N N 128.346 0.000 1 280 57 57 GLU H H 8.455 0.001 1 281 57 57 GLU C C 176.757 0.000 1 282 57 57 GLU CA C 56.557 0.000 1 283 57 57 GLU N N 121.102 0.000 1 284 58 58 LYS H H 8.525 0.001 1 285 58 58 LYS HA H 4.354 0.000 1 286 58 58 LYS C C 177.051 0.003 1 287 58 58 LYS CA C 56.768 0.000 1 288 58 58 LYS N N 123.092 0.000 1 289 59 59 THR H H 8.305 0.002 1 290 59 59 THR HA H 4.273 0.000 1 291 59 59 THR C C 174.685 0.003 1 292 59 59 THR CA C 62.219 0.000 1 293 59 59 THR N N 116.265 0.000 1 294 60 60 LYS H H 8.474 0.000 1 295 60 60 LYS HA H 4.283 0.000 1 296 60 60 LYS C C 176.795 0.007 1 297 60 60 LYS CA C 56.682 0.000 1 298 60 60 LYS N N 123.884 0.000 1 299 61 61 GLU H H 8.515 0.002 1 300 61 61 GLU C C 176.591 0.000 1 301 61 61 GLU CA C 56.602 0.000 1 302 61 61 GLU N N 122.377 0.000 1 303 62 62 GLN H H 8.523 0.000 1 304 62 62 GLN HA H 4.336 0.000 1 305 62 62 GLN C C 176.025 0.003 1 306 62 62 GLN CA C 55.815 0.000 1 307 62 62 GLN N N 122.375 0.000 1 308 63 63 VAL H H 8.372 0.003 1 309 63 63 VAL HA H 4.187 0.000 1 310 63 63 VAL C C 176.413 0.006 1 311 63 63 VAL CA C 62.353 0.033 1 312 63 63 VAL N N 122.192 0.000 1 313 64 64 THR H H 8.387 0.002 1 314 64 64 THR HA H 4.357 0.000 1 315 64 64 THR C C 174.091 0.001 1 316 64 64 THR CA C 61.851 0.000 1 317 64 64 THR N N 118.382 0.000 1 318 65 65 ASN H H 8.603 0.000 1 319 65 65 ASN HA H 4.778 0.000 1 320 65 65 ASN C C 175.314 0.000 1 321 65 65 ASN CA C 53.103 0.022 1 322 65 65 ASN N N 121.992 0.000 1 323 66 66 VAL H H 8.330 0.002 1 324 66 66 VAL HA H 4.116 0.001 1 325 66 66 VAL C C 176.943 0.001 1 326 66 66 VAL CA C 62.678 0.042 1 327 66 66 VAL N N 120.968 0.000 1 328 67 67 GLY H H 8.639 0.001 1 329 67 67 GLY HA2 H 3.967 0.000 1 330 67 67 GLY HA3 H 3.967 0.000 1 331 67 67 GLY C C 174.714 0.001 1 332 67 67 GLY CA C 45.359 0.000 1 333 67 67 GLY N N 112.809 0.000 1 334 68 68 GLY H H 8.305 0.003 1 335 68 68 GLY HA2 H 3.940 0.000 1 336 68 68 GLY HA3 H 3.940 0.000 1 337 68 68 GLY C C 173.770 0.002 1 338 68 68 GLY CA C 45.008 0.000 1 339 68 68 GLY N N 108.929 0.000 1 340 69 69 ALA H H 8.240 0.000 1 341 69 69 ALA HA H 4.347 0.001 1 342 69 69 ALA C C 177.724 0.001 1 343 69 69 ALA CA C 52.308 0.013 1 344 69 69 ALA N N 123.856 0.000 1 345 70 70 VAL H H 8.307 0.002 1 346 70 70 VAL HA H 4.085 0.000 1 347 70 70 VAL C C 176.407 0.002 1 348 70 70 VAL CA C 62.427 0.000 1 349 70 70 VAL N N 120.784 0.000 1 350 71 71 VAL H H 8.489 0.002 1 351 71 71 VAL HA H 4.213 0.002 1 352 71 71 VAL C C 176.355 0.005 1 353 71 71 VAL CA C 62.119 0.023 1 354 71 71 VAL N N 125.780 0.000 1 355 72 72 THR H H 8.399 0.001 1 356 72 72 THR HA H 4.357 0.000 1 357 72 72 THR C C 174.950 0.001 1 358 72 72 THR CA C 61.886 0.000 1 359 72 72 THR N N 118.978 0.000 1 360 73 73 GLY H H 8.519 0.001 1 361 73 73 GLY HA2 H 3.987 0.000 1 362 73 73 GLY HA3 H 3.987 0.000 1 363 73 73 GLY C C 174.041 0.002 1 364 73 73 GLY CA C 45.211 0.000 1 365 73 73 GLY N N 111.520 0.000 1 366 74 74 VAL H H 8.164 0.001 1 367 74 74 VAL HA H 4.186 0.001 1 368 74 74 VAL C C 176.623 0.004 1 369 74 74 VAL CA C 62.336 0.016 1 370 74 74 VAL N N 119.729 0.000 1 371 75 75 THR H H 8.390 0.001 1 372 75 75 THR HA H 4.305 0.000 1 373 75 75 THR C C 174.115 0.001 1 374 75 75 THR CA C 61.994 0.000 1 375 75 75 THR N N 119.339 0.000 1 376 76 76 ALA H H 8.464 0.002 1 377 76 76 ALA HA H 4.340 0.001 1 378 76 76 ALA C C 177.630 0.001 1 379 76 76 ALA CA C 52.442 0.000 1 380 76 76 ALA N N 127.660 0.000 1 381 77 77 VAL H H 8.240 0.001 1 382 77 77 VAL HA H 4.047 0.000 1 383 77 77 VAL C C 176.075 0.002 1 384 77 77 VAL CA C 62.261 0.000 1 385 77 77 VAL N N 120.388 0.000 1 386 78 78 ALA H H 8.501 0.001 1 387 78 78 ALA HA H 4.289 0.000 1 388 78 78 ALA C C 177.703 0.001 1 389 78 78 ALA CA C 52.499 0.000 1 390 78 78 ALA N N 128.434 0.000 1 391 79 79 GLN H H 8.483 0.002 1 392 79 79 GLN HA H 4.285 0.000 1 393 79 79 GLN C C 176.012 0.003 1 394 79 79 GLN CA C 55.685 0.000 1 395 79 79 GLN N N 120.550 0.000 1 396 80 80 LYS H H 8.522 0.001 1 397 80 80 LYS HA H 4.367 0.000 1 398 80 80 LYS C C 176.750 0.004 1 399 80 80 LYS CA C 56.341 0.000 1 400 80 80 LYS N N 123.544 0.000 1 401 81 81 THR H H 8.381 0.001 1 402 81 81 THR HA H 4.340 0.000 1 403 81 81 THR C C 174.483 0.002 1 404 81 81 THR CA C 61.987 0.000 1 405 81 81 THR N N 117.238 0.000 1 406 82 82 VAL H H 8.397 0.002 1 407 82 82 VAL HA H 4.110 0.000 1 408 82 82 VAL C C 176.207 0.007 1 409 82 82 VAL CA C 62.323 0.000 1 410 82 82 VAL N N 123.341 0.000 1 411 83 83 GLU H H 8.658 0.000 1 412 83 83 GLU HA H 4.258 0.000 1 413 83 83 GLU C C 177.077 0.002 1 414 83 83 GLU CA C 56.783 0.000 1 415 83 83 GLU N N 125.573 0.000 1 416 84 84 GLY H H 8.603 0.001 1 417 84 84 GLY HA2 H 3.951 0.000 1 418 84 84 GLY HA3 H 3.951 0.000 1 419 84 84 GLY C C 174.194 0.002 1 420 84 84 GLY CA C 45.247 0.000 1 421 84 84 GLY N N 110.893 0.000 1 422 85 85 ALA H H 8.341 0.000 1 423 85 85 ALA HA H 4.301 0.000 1 424 85 85 ALA C C 178.577 0.000 1 425 85 85 ALA CA C 52.921 0.000 1 426 85 85 ALA N N 124.045 0.000 1 427 86 86 GLY H H 8.578 0.001 1 428 86 86 GLY HA2 H 3.964 0.000 1 429 86 86 GLY HA3 H 3.964 0.000 1 430 86 86 GLY C C 174.336 0.004 1 431 86 86 GLY CA C 45.277 0.000 1 432 86 86 GLY N N 108.333 0.000 1 433 87 87 SER H H 8.221 0.002 1 434 87 87 SER HA H 4.459 0.002 1 435 87 87 SER C C 174.757 0.000 1 436 87 87 SER CA C 58.370 0.045 1 437 87 87 SER N N 115.815 0.000 1 438 88 88 ILE H H 8.275 0.001 1 439 88 88 ILE HA H 4.163 0.001 1 440 88 88 ILE C C 176.337 0.002 1 441 88 88 ILE CA C 61.281 0.037 1 442 88 88 ILE N N 122.979 0.000 1 443 89 89 ALA H H 8.435 0.002 1 444 89 89 ALA HA H 4.242 0.000 1 445 89 89 ALA C C 177.625 0.002 1 446 89 89 ALA CA C 52.612 0.000 1 447 89 89 ALA N N 128.311 0.000 1 448 90 90 ALA H H 8.301 0.001 1 449 90 90 ALA HA H 4.248 0.000 1 450 90 90 ALA C C 177.791 0.004 1 451 90 90 ALA CA C 52.432 0.000 1 452 90 90 ALA N N 123.533 0.000 1 453 91 91 ALA H H 8.376 0.002 1 454 91 91 ALA HA H 4.350 0.003 1 455 91 91 ALA C C 178.206 0.000 1 456 91 91 ALA CA C 52.596 0.032 1 457 91 91 ALA N N 123.625 0.000 1 458 92 92 THR H H 8.183 0.000 1 459 92 92 THR HA H 4.299 0.000 1 460 92 92 THR C C 175.210 0.003 1 461 92 92 THR CA C 62.043 0.000 1 462 92 92 THR N N 112.874 0.000 1 463 93 93 GLY H H 8.384 0.000 1 464 93 93 GLY HA2 H 3.907 0.000 1 465 93 93 GLY HA3 H 3.907 0.000 1 466 93 93 GLY C C 173.644 0.002 1 467 93 93 GLY CA C 45.143 0.000 1 468 93 93 GLY N N 110.839 0.000 1 469 94 94 PHE H H 8.165 0.000 1 470 94 94 PHE HA H 4.604 0.002 1 471 94 94 PHE C C 175.542 0.013 1 472 94 94 PHE CA C 57.849 0.002 1 473 94 94 PHE N N 120.453 0.000 1 474 95 95 VAL H H 8.135 0.000 1 475 95 95 VAL HA H 4.001 0.000 1 476 95 95 VAL C C 175.418 0.001 1 477 95 95 VAL CA C 62.015 0.000 1 478 95 95 VAL N N 124.138 0.000 1 479 96 96 LYS H H 8.487 0.006 1 480 96 96 LYS HA H 4.222 0.000 1 481 96 96 LYS C C 176.509 0.011 1 482 96 96 LYS CA C 56.460 0.000 1 483 96 96 LYS N N 126.672 0.000 1 484 97 97 LYS H H 8.561 0.002 1 485 97 97 LYS HA H 4.294 0.000 1 486 97 97 LYS C C 176.419 0.010 1 487 97 97 LYS CA C 56.486 0.000 1 488 97 97 LYS N N 124.036 0.000 1 489 98 98 ASP H H 8.486 0.003 1 490 98 98 ASP HA H 4.564 0.002 1 491 98 98 ASP C C 176.246 0.007 1 492 98 98 ASP CA C 54.352 0.049 1 493 98 98 ASP N N 121.402 0.000 1 494 99 99 GLN H H 8.430 0.001 1 495 99 99 GLN HA H 4.312 0.000 1 496 99 99 GLN C C 176.081 0.004 1 497 99 99 GLN CA C 55.879 0.000 1 498 99 99 GLN N N 120.372 0.000 1 499 100 100 LEU H H 8.380 0.001 1 500 100 100 LEU HA H 4.333 0.001 1 501 100 100 LEU C C 178.057 0.001 1 502 100 100 LEU CA C 55.349 0.024 1 503 100 100 LEU N N 122.991 0.000 1 504 101 101 GLY H H 8.556 0.001 1 505 101 101 GLY HA2 H 3.939 0.000 1 506 101 101 GLY HA3 H 3.939 0.000 1 507 101 101 GLY C C 174.127 0.004 1 508 101 101 GLY CA C 45.288 0.000 1 509 101 101 GLY N N 109.943 0.000 1 510 102 102 LYS H H 8.291 0.001 1 511 102 102 LYS HA H 4.306 0.000 1 512 102 102 LYS C C 176.526 0.003 1 513 102 102 LYS CA C 56.224 0.000 1 514 102 102 LYS N N 120.868 0.000 1 515 103 103 ASN H H 8.703 0.001 1 516 103 103 ASN HA H 4.687 0.000 1 517 103 103 ASN C C 175.363 0.008 1 518 103 103 ASN CA C 53.328 0.009 1 519 103 103 ASN N N 120.116 0.000 1 520 104 104 GLU H H 8.551 0.002 1 521 104 104 GLU HA H 4.295 0.000 1 522 104 104 GLU C C 176.603 0.003 1 523 104 104 GLU CA C 56.489 0.000 1 524 104 104 GLU N N 121.500 0.000 1 525 105 105 GLU H H 8.541 0.003 1 526 105 105 GLU C C 177.075 0.000 1 527 105 105 GLU CA C 56.520 0.000 1 528 105 105 GLU N N 121.944 0.000 1 529 106 106 GLY H H 8.514 0.001 1 530 106 106 GLY HA2 H 3.926 0.000 1 531 106 106 GLY HA3 H 3.926 0.000 1 532 106 106 GLY C C 173.471 0.002 1 533 106 106 GLY CA C 44.991 0.000 1 534 106 106 GLY N N 110.122 0.000 1 535 107 107 ALA H H 8.195 0.002 1 536 107 107 ALA N N 125.046 0.000 1 537 108 108 PRO HA H 4.426 0.008 1 538 108 108 PRO C C 177.085 0.003 1 539 108 108 PRO CA C 63.031 0.048 1 540 109 109 GLN H H 8.674 0.002 1 541 109 109 GLN HA H 4.297 0.000 1 542 109 109 GLN C C 176.034 0.002 1 543 109 109 GLN CA C 55.686 0.000 1 544 109 109 GLN N N 121.393 0.000 1 545 110 110 GLU H H 8.608 0.002 1 546 110 110 GLU HA H 4.287 0.000 1 547 110 110 GLU C C 176.797 0.003 1 548 110 110 GLU CA C 56.500 0.000 1 549 110 110 GLU N N 122.732 0.000 1 550 111 111 GLY H H 8.516 0.001 1 551 111 111 GLY HA2 H 3.937 0.000 1 552 111 111 GLY HA3 H 3.937 0.000 1 553 111 111 GLY C C 173.798 0.003 1 554 111 111 GLY CA C 45.240 0.000 1 555 111 111 GLY N N 110.168 0.000 1 556 112 112 ILE H H 8.079 0.003 1 557 112 112 ILE HA H 4.168 0.002 1 558 112 112 ILE C C 176.337 0.001 1 559 112 112 ILE CA C 60.895 0.032 1 560 112 112 ILE N N 120.339 0.000 1 561 113 113 LEU H H 8.497 0.002 1 562 113 113 LEU HA H 4.386 0.001 1 563 113 113 LEU C C 177.203 0.001 1 564 113 113 LEU CA C 55.030 0.030 1 565 113 113 LEU N N 127.269 0.000 1 566 114 114 GLU H H 8.496 0.002 1 567 114 114 GLU HA H 4.254 0.000 1 568 114 114 GLU C C 175.902 0.013 1 569 114 114 GLU CA C 56.379 0.000 1 570 114 114 GLU N N 122.328 0.000 1 571 115 115 ASP H H 8.444 0.001 1 572 115 115 ASP HA H 4.568 0.001 1 573 115 115 ASP C C 175.800 0.000 1 574 115 115 ASP CA C 54.228 0.003 1 575 115 115 ASP N N 121.567 0.000 1 576 116 116 MET H H 8.346 0.001 1 577 116 116 MET N N 122.184 0.000 1 578 117 117 PRO HA H 4.450 0.001 1 579 117 117 PRO C C 176.750 0.005 1 580 117 117 PRO CA C 62.867 0.023 1 581 118 118 VAL H H 8.399 0.002 1 582 118 118 VAL HA H 4.055 0.000 1 583 118 118 VAL C C 175.831 0.003 1 584 118 118 VAL CA C 61.941 0.000 1 585 118 118 VAL N N 121.123 0.000 1 586 119 119 ASP H H 8.620 0.002 1 587 119 119 ASP N N 126.210 0.000 1 588 120 120 PRO HA H 4.332 0.003 1 589 120 120 PRO C C 176.942 0.004 1 590 120 120 PRO CA C 63.456 0.043 1 591 121 121 ASP H H 8.453 0.000 1 592 121 121 ASP HA H 4.601 0.000 1 593 121 121 ASP C C 176.174 0.012 1 594 121 121 ASP CA C 54.460 0.022 1 595 121 121 ASP N N 119.376 0.000 1 596 122 122 ASN H H 8.189 0.000 1 597 122 122 ASN HA H 4.687 0.000 1 598 122 122 ASN C C 175.440 0.000 1 599 122 122 ASN CA C 53.383 0.064 1 600 122 122 ASN N N 119.304 0.000 1 601 123 123 GLU H H 8.445 0.002 1 602 123 123 GLU HA H 4.214 0.000 1 603 123 123 GLU C C 176.096 0.002 1 604 123 123 GLU CA C 56.230 0.000 1 605 123 123 GLU N N 121.834 0.000 1 606 124 124 ALA H H 8.310 0.000 1 607 124 124 ALA HA H 4.278 0.000 1 608 124 124 ALA C C 177.275 0.000 1 609 124 124 ALA CA C 52.355 0.000 1 610 124 124 ALA N N 124.576 0.000 1 611 125 125 TYR H H 8.114 0.001 1 612 125 125 TYR HA H 4.514 0.003 1 613 125 125 TYR C C 175.366 0.017 1 614 125 125 TYR CA C 57.763 0.029 1 615 125 125 TYR N N 120.142 0.000 1 616 126 126 GLU H H 8.190 0.001 1 617 126 126 GLU HA H 4.242 0.004 1 618 126 126 GLU C C 175.416 0.002 1 619 126 126 GLU CA C 55.520 0.004 1 620 126 126 GLU N N 123.994 0.000 1 621 127 127 MET H H 8.496 0.001 1 622 127 127 MET N N 124.042 0.000 1 623 128 128 PRO HA H 4.428 0.007 1 624 128 128 PRO C C 176.933 0.006 1 625 128 128 PRO CA C 63.016 0.032 1 626 129 129 SER H H 8.575 0.001 1 627 129 129 SER HA H 4.412 0.011 1 628 129 129 SER C C 174.853 0.004 1 629 129 129 SER CA C 58.311 0.012 1 630 129 129 SER N N 116.933 0.000 1 631 130 130 GLU H H 8.654 0.001 1 632 130 130 GLU HA H 4.320 0.000 1 633 130 130 GLU C C 176.507 0.023 1 634 130 130 GLU CA C 56.386 0.000 1 635 130 130 GLU N N 123.310 0.000 1 636 131 131 GLU H H 8.513 0.003 1 637 131 131 GLU HA H 4.244 0.000 1 638 131 131 GLU C C 176.995 0.001 1 639 131 131 GLU CA C 56.794 0.000 1 640 131 131 GLU N N 121.932 0.000 1 641 132 132 GLY H H 8.494 0.002 1 642 132 132 GLY HA2 H 3.894 0.000 1 643 132 132 GLY HA3 H 3.894 0.000 1 644 132 132 GLY C C 173.882 0.000 1 645 132 132 GLY CA C 45.124 0.000 1 646 132 132 GLY N N 110.102 0.000 1 647 133 133 TYR H H 8.140 0.001 1 648 133 133 TYR HA H 4.499 0.001 1 649 133 133 TYR C C 175.794 0.002 1 650 133 133 TYR CA C 58.155 0.037 1 651 133 133 TYR N N 120.430 0.000 1 652 134 134 GLN H H 8.293 0.000 1 653 134 134 GLN HA H 4.242 0.001 1 654 134 134 GLN C C 174.867 0.001 1 655 134 134 GLN CA C 55.358 0.011 1 656 134 134 GLN N N 122.943 0.000 1 657 135 135 ASP H H 8.315 0.002 1 658 135 135 ASP HA H 4.527 0.002 1 659 135 135 ASP C C 175.532 0.003 1 660 135 135 ASP CA C 54.133 0.022 1 661 135 135 ASP N N 121.793 0.000 1 662 136 136 TYR H H 8.134 0.000 1 663 136 136 TYR HA H 4.552 0.001 1 664 136 136 TYR C C 175.134 0.007 1 665 136 136 TYR CA C 57.594 0.031 1 666 136 136 TYR N N 120.806 0.000 1 667 137 137 GLU H H 8.316 0.001 1 668 137 137 GLU N N 125.495 0.000 1 669 138 138 PRO HA H 4.340 0.004 1 670 138 138 PRO C C 176.909 0.007 1 671 138 138 PRO CA C 62.852 0.037 1 672 139 139 GLU H H 8.596 0.002 1 673 139 139 GLU HA H 4.218 0.000 1 674 139 139 GLU C C 175.444 0.002 1 675 139 139 GLU CA C 56.512 0.000 1 676 139 139 GLU N N 121.715 0.000 1 677 140 140 ALA H H 8.094 0.001 1 678 140 140 ALA HA H 4.099 0.001 1 679 140 140 ALA C C 182.611 0.000 1 680 140 140 ALA CA C 53.775 0.000 1 681 140 140 ALA N N 131.080 0.000 1 stop_ save_ save_assigned_chem_shift_list_20 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_5.85 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.120 0.002 1 2 1 1 MET C C 172.002 0.007 1 3 1 1 MET CA C 54.955 0.045 1 4 2 2 ASP H H 8.844 0.002 1 5 2 2 ASP HA H 4.708 0.005 1 6 2 2 ASP C C 175.819 0.005 1 7 2 2 ASP CA C 54.175 0.049 1 8 2 2 ASP N N 124.900 0.000 1 9 3 3 VAL H H 8.354 0.004 1 10 3 3 VAL HA H 4.024 0.003 1 11 3 3 VAL C C 175.935 0.002 1 12 3 3 VAL CA C 62.471 0.036 1 13 3 3 VAL N N 120.720 0.000 1 14 4 4 PHE H H 8.438 0.001 1 15 4 4 PHE HA H 4.602 0.002 1 16 4 4 PHE C C 175.836 0.002 1 17 4 4 PHE CA C 57.896 0.071 1 18 4 4 PHE N N 123.907 0.000 1 19 5 5 MET H H 8.297 0.001 1 20 5 5 MET HA H 4.388 0.000 1 21 5 5 MET C C 175.939 0.003 1 22 5 5 MET CA C 55.273 0.039 1 23 5 5 MET N N 122.666 0.000 1 24 6 6 LYS H H 8.353 0.001 1 25 6 6 LYS HA H 4.195 0.000 1 26 6 6 LYS C C 177.192 0.008 1 27 6 6 LYS CA C 56.912 0.000 1 28 6 6 LYS N N 122.905 0.000 1 29 7 7 GLY H H 8.498 0.000 1 30 7 7 GLY HA2 H 3.939 0.000 1 31 7 7 GLY HA3 H 3.939 0.000 1 32 7 7 GLY C C 174.198 0.004 1 33 7 7 GLY CA C 45.276 0.000 1 34 7 7 GLY N N 110.103 0.000 1 35 8 8 LEU H H 8.144 0.001 1 36 8 8 LEU HA H 4.382 0.006 1 37 8 8 LEU C C 177.728 0.003 1 38 8 8 LEU CA C 55.105 0.051 1 39 8 8 LEU N N 121.676 0.000 1 40 9 9 SER H H 8.404 0.001 1 41 9 9 SER HA H 4.415 0.003 1 42 9 9 SER C C 174.601 0.008 1 43 9 9 SER CA C 58.340 0.079 1 44 9 9 SER N N 116.906 0.000 1 45 10 10 LYS H H 8.455 0.001 1 46 10 10 LYS HA H 4.366 0.000 1 47 10 10 LYS C C 176.752 0.004 1 48 10 10 LYS CA C 56.405 0.000 1 49 10 10 LYS N N 123.844 0.000 1 50 11 11 ALA H H 8.383 0.001 1 51 11 11 ALA HA H 4.247 0.000 1 52 11 11 ALA C C 177.981 0.000 1 53 11 11 ALA CA C 52.727 0.000 1 54 11 11 ALA N N 125.531 0.000 1 55 12 12 LYS H H 8.427 0.000 1 56 12 12 LYS HA H 4.266 0.000 1 57 12 12 LYS C C 176.761 0.002 1 58 12 12 LYS CA C 56.446 0.000 1 59 12 12 LYS N N 121.087 0.000 1 60 13 13 GLU H H 8.498 0.001 1 61 13 13 GLU C C 177.095 0.000 1 62 13 13 GLU CA C 56.768 0.000 1 63 13 13 GLU N N 122.342 0.000 1 64 14 14 GLY H H 8.542 0.001 1 65 14 14 GLY C C 174.077 0.000 1 66 14 14 GLY CA C 45.309 0.000 1 67 14 14 GLY N N 110.269 0.000 1 68 15 15 VAL H H 8.057 0.002 1 69 15 15 VAL HA H 4.086 0.000 1 70 15 15 VAL C C 176.562 0.000 1 71 15 15 VAL CA C 62.653 0.000 1 72 15 15 VAL N N 120.338 0.000 1 73 16 16 VAL H H 8.380 0.002 1 74 16 16 VAL C C 176.083 0.000 1 75 16 16 VAL CA C 62.546 0.000 1 76 16 16 VAL N N 125.531 0.000 1 77 17 17 ALA H H 8.533 0.001 1 78 17 17 ALA HA H 4.257 0.000 1 79 17 17 ALA C C 177.772 0.007 1 80 17 17 ALA CA C 52.629 0.000 1 81 17 17 ALA N N 128.653 0.000 1 82 18 18 ALA H H 8.399 0.001 1 83 18 18 ALA HA H 4.227 0.000 1 84 18 18 ALA C C 177.985 0.006 1 85 18 18 ALA CA C 52.768 0.000 1 86 18 18 ALA N N 123.840 0.000 1 87 19 19 ALA H H 8.357 0.001 1 88 19 19 ALA HA H 4.268 0.000 1 89 19 19 ALA C C 178.286 0.002 1 90 19 19 ALA CA C 52.847 0.000 1 91 19 19 ALA N N 123.279 0.000 1 92 20 20 GLU H H 8.405 0.001 1 93 20 20 GLU C C 177.005 0.000 1 94 20 20 GLU CA C 56.793 0.000 1 95 20 20 GLU N N 120.293 0.000 1 96 21 21 LYS H H 8.418 0.000 1 97 21 21 LYS HA H 4.324 0.000 1 98 21 21 LYS C C 177.248 0.000 1 99 21 21 LYS CA C 56.770 0.000 1 100 21 21 LYS N N 122.489 0.000 1 101 22 22 THR H H 8.218 0.002 1 102 22 22 THR HA H 4.273 0.000 1 103 22 22 THR C C 174.756 0.008 1 104 22 22 THR CA C 62.369 0.000 1 105 22 22 THR N N 115.559 0.000 1 106 23 23 LYS H H 8.430 0.001 1 107 23 23 LYS HA H 4.277 0.000 1 108 23 23 LYS C C 176.779 0.003 1 109 23 23 LYS CA C 56.806 0.000 1 110 23 23 LYS N N 123.937 0.000 1 111 24 24 GLN H H 8.508 0.002 1 112 24 24 GLN HA H 4.290 0.000 1 113 24 24 GLN C C 176.673 0.002 1 114 24 24 GLN CA C 56.308 0.000 1 115 24 24 GLN N N 122.335 0.000 1 116 25 25 GLY H H 8.557 0.000 1 117 25 25 GLY HA2 H 3.978 0.000 1 118 25 25 GLY HA3 H 3.978 0.000 1 119 25 25 GLY C C 174.332 0.002 1 120 25 25 GLY CA C 45.361 0.000 1 121 25 25 GLY N N 110.717 0.000 1 122 26 26 VAL H H 8.095 0.002 1 123 26 26 VAL HA H 4.064 0.000 1 124 26 26 VAL C C 176.481 0.000 1 125 26 26 VAL CA C 62.690 0.000 1 126 26 26 VAL N N 119.998 0.000 1 127 27 27 ALA H H 8.501 0.000 1 128 27 27 ALA HA H 4.283 0.000 1 129 27 27 ALA C C 178.240 0.000 1 130 27 27 ALA CA C 52.860 0.000 1 131 27 27 ALA N N 127.526 0.000 1 132 28 28 GLU H H 8.481 0.002 1 133 28 28 GLU HA H 4.200 0.000 1 134 28 28 GLU C C 176.752 0.002 1 135 28 28 GLU CA C 56.872 0.000 1 136 28 28 GLU N N 120.735 0.000 1 137 29 29 ALA H H 8.378 0.002 1 138 29 29 ALA HA H 4.262 0.000 1 139 29 29 ALA C C 177.839 0.000 1 140 29 29 ALA CA C 52.727 0.000 1 141 29 29 ALA N N 125.123 0.000 1 142 30 30 ALA H H 8.313 0.000 1 143 30 30 ALA HA H 4.287 0.000 1 144 30 30 ALA C C 178.554 0.001 1 145 30 30 ALA CA C 52.821 0.000 1 146 30 30 ALA N N 123.160 0.000 1 147 31 31 GLY H H 8.387 0.001 1 148 31 31 GLY HA2 H 3.926 0.000 1 149 31 31 GLY HA3 H 3.926 0.000 1 150 31 31 GLY C C 174.255 0.000 1 151 31 31 GLY CA C 45.328 0.000 1 152 31 31 GLY N N 107.888 0.000 1 153 32 32 LYS H H 8.179 0.002 1 154 32 32 LYS HA H 4.419 0.002 1 155 32 32 LYS C C 177.083 0.001 1 156 32 32 LYS CA C 56.242 0.000 1 157 32 32 LYS N N 120.811 0.000 1 158 33 33 THR H H 8.312 0.002 1 159 33 33 THR HA H 4.333 0.000 1 160 33 33 THR C C 174.723 0.005 1 161 33 33 THR CA C 61.990 0.000 1 162 33 33 THR N N 115.829 0.000 1 163 34 34 LYS H H 8.560 0.001 1 164 34 34 LYS C C 176.598 0.000 1 165 34 34 LYS CA C 56.565 0.000 1 166 34 34 LYS N N 124.029 0.000 1 167 35 35 GLU H H 8.534 0.001 1 168 35 35 GLU HA H 4.256 0.000 1 169 35 35 GLU C C 176.996 0.001 1 170 35 35 GLU CA C 56.521 0.000 1 171 35 35 GLU N N 122.139 0.000 1 172 36 36 GLY H H 8.513 0.002 1 173 36 36 GLY HA2 H 3.952 0.000 1 174 36 36 GLY HA3 H 3.952 0.000 1 175 36 36 GLY C C 174.065 0.009 1 176 36 36 GLY CA C 45.277 0.000 1 177 36 36 GLY N N 110.364 0.000 1 178 37 37 VAL H H 7.990 0.001 1 179 37 37 VAL HA H 4.056 0.000 1 180 37 37 VAL C C 176.011 0.010 1 181 37 37 VAL CA C 62.377 0.000 1 182 37 37 VAL N N 119.750 0.000 1 183 38 38 LEU H H 8.368 0.000 1 184 38 38 LEU HA H 4.347 0.000 1 185 38 38 LEU C C 176.722 0.003 1 186 38 38 LEU CA C 54.928 0.050 1 187 38 38 LEU N N 126.024 0.000 1 188 39 39 TYR H H 8.360 0.001 1 189 39 39 TYR HA H 4.582 0.001 1 190 39 39 TYR C C 175.631 0.002 1 191 39 39 TYR CA C 57.904 0.027 1 192 39 39 TYR N N 122.690 0.000 1 193 40 40 VAL H H 8.156 0.001 1 194 40 40 VAL HA H 4.056 0.000 1 195 40 40 VAL C C 176.174 0.008 1 196 40 40 VAL CA C 62.206 0.000 1 197 40 40 VAL N N 123.686 0.000 1 198 41 41 GLY H H 8.105 0.001 1 199 41 41 GLY HA2 H 3.927 0.000 1 200 41 41 GLY HA3 H 3.927 0.000 1 201 41 41 GLY C C 173.983 0.004 1 202 41 41 GLY CA C 45.145 0.000 1 203 41 41 GLY N N 112.301 0.000 1 204 42 42 SER H H 8.331 0.001 1 205 42 42 SER HA H 4.441 0.002 1 206 42 42 SER C C 174.846 0.002 1 207 42 42 SER CA C 58.338 0.054 1 208 42 42 SER N N 115.720 0.000 1 209 43 43 LYS H H 8.564 0.001 1 210 43 43 LYS HA H 4.419 0.006 1 211 43 43 LYS C C 176.938 0.007 1 212 43 43 LYS CA C 56.432 0.025 1 213 43 43 LYS N N 123.620 0.000 1 214 44 44 THR H H 8.253 0.001 1 215 44 44 THR HA H 4.305 0.000 1 216 44 44 THR C C 174.630 0.003 1 217 44 44 THR CA C 61.968 0.000 1 218 44 44 THR N N 115.725 0.000 1 219 45 45 LYS H H 8.512 0.001 1 220 45 45 LYS HA H 4.289 0.000 1 221 45 45 LYS C C 176.596 0.001 1 222 45 45 LYS CA C 56.488 0.000 1 223 45 45 LYS N N 124.022 0.000 1 224 46 46 GLU H H 8.542 0.001 1 225 46 46 GLU HA H 4.255 0.000 1 226 46 46 GLU C C 176.997 0.004 1 227 46 46 GLU CA C 56.541 0.000 1 228 46 46 GLU N N 122.380 0.000 1 229 47 47 GLY H H 8.511 0.001 1 230 47 47 GLY HA2 H 3.905 0.000 1 231 47 47 GLY HA3 H 3.905 0.000 1 232 47 47 GLY C C 173.894 0.019 1 233 47 47 GLY CA C 45.196 0.000 1 234 47 47 GLY N N 110.357 0.000 1 235 48 48 VAL H H 8.001 0.000 1 236 48 48 VAL HA H 4.089 0.000 1 237 48 48 VAL C C 176.143 0.003 1 238 48 48 VAL CA C 62.273 0.000 1 239 48 48 VAL N N 119.983 0.000 1 240 49 49 VAL H H 8.380 0.001 1 241 49 49 VAL HA H 4.056 0.000 1 242 49 49 VAL C C 175.995 0.006 1 243 49 49 VAL CA C 62.278 0.000 1 244 49 49 VAL N N 125.123 0.000 1 245 50 50 HIS H H 8.762 0.002 1 246 50 50 HIS HA H 4.716 0.004 1 247 50 50 HIS C C 174.949 0.001 1 248 50 50 HIS CA C 55.335 0.045 1 249 50 50 HIS N N 123.796 0.000 1 250 51 51 GLY H H 8.555 0.002 1 251 51 51 GLY HA2 H 3.988 0.000 1 252 51 51 GLY HA3 H 3.988 0.000 1 253 51 51 GLY C C 173.770 0.002 1 254 51 51 GLY CA C 45.059 0.000 1 255 51 51 GLY N N 110.717 0.000 1 256 52 52 VAL H H 8.179 0.001 1 257 52 52 VAL HA H 4.146 0.001 1 258 52 52 VAL C C 176.003 0.001 1 259 52 52 VAL CA C 61.971 0.062 1 260 52 52 VAL N N 119.756 0.000 1 261 53 53 ALA H H 8.585 0.001 1 262 53 53 ALA HA H 4.404 0.001 1 263 53 53 ALA C C 177.889 0.002 1 264 53 53 ALA CA C 52.376 0.025 1 265 53 53 ALA N N 128.477 0.000 1 266 54 54 THR H H 8.322 0.001 1 267 54 54 THR HA H 4.313 0.000 1 268 54 54 THR C C 174.590 0.002 1 269 54 54 THR CA C 61.875 0.000 1 270 54 54 THR N N 115.177 0.000 1 271 55 55 VAL H H 8.338 0.001 1 272 55 55 VAL HA H 4.087 0.000 1 273 55 55 VAL C C 175.922 0.004 1 274 55 55 VAL CA C 62.428 0.000 1 275 55 55 VAL N N 123.341 0.000 1 276 56 56 ALA H H 8.516 0.001 1 277 56 56 ALA HA H 4.281 0.000 1 278 56 56 ALA C C 177.857 0.002 1 279 56 56 ALA CA C 52.569 0.000 1 280 56 56 ALA N N 128.342 0.000 1 281 57 57 GLU H H 8.454 0.000 1 282 57 57 GLU C C 176.767 0.000 1 283 57 57 GLU CA C 56.557 0.000 1 284 57 57 GLU N N 121.102 0.000 1 285 58 58 LYS H H 8.523 0.001 1 286 58 58 LYS HA H 4.353 0.000 1 287 58 58 LYS C C 177.049 0.006 1 288 58 58 LYS CA C 56.792 0.000 1 289 58 58 LYS N N 123.080 0.000 1 290 59 59 THR H H 8.304 0.003 1 291 59 59 THR HA H 4.276 0.000 1 292 59 59 THR C C 174.690 0.001 1 293 59 59 THR CA C 62.219 0.000 1 294 59 59 THR N N 116.265 0.000 1 295 60 60 LYS H H 8.474 0.000 1 296 60 60 LYS HA H 4.283 0.000 1 297 60 60 LYS C C 176.795 0.007 1 298 60 60 LYS CA C 56.682 0.000 1 299 60 60 LYS N N 123.884 0.000 1 300 61 61 GLU H H 8.515 0.002 1 301 61 61 GLU C C 176.591 0.000 1 302 61 61 GLU CA C 56.602 0.000 1 303 61 61 GLU N N 122.377 0.000 1 304 62 62 GLN H H 8.523 0.000 1 305 62 62 GLN HA H 4.336 0.000 1 306 62 62 GLN C C 176.024 0.003 1 307 62 62 GLN CA C 55.816 0.000 1 308 62 62 GLN N N 122.375 0.000 1 309 63 63 VAL H H 8.371 0.003 1 310 63 63 VAL HA H 4.187 0.002 1 311 63 63 VAL C C 176.418 0.001 1 312 63 63 VAL CA C 62.333 0.053 1 313 63 63 VAL N N 122.192 0.000 1 314 64 64 THR H H 8.387 0.001 1 315 64 64 THR HA H 4.358 0.000 1 316 64 64 THR C C 174.088 0.002 1 317 64 64 THR CA C 61.851 0.000 1 318 64 64 THR N N 118.372 0.000 1 319 65 65 ASN H H 8.602 0.001 1 320 65 65 ASN HA H 4.778 0.004 1 321 65 65 ASN C C 175.314 0.002 1 322 65 65 ASN CA C 53.079 0.028 1 323 65 65 ASN N N 121.984 0.000 1 324 66 66 VAL H H 8.327 0.001 1 325 66 66 VAL HA H 4.117 0.000 1 326 66 66 VAL C C 176.941 0.001 1 327 66 66 VAL CA C 62.659 0.062 1 328 66 66 VAL N N 120.959 0.000 1 329 67 67 GLY H H 8.638 0.002 1 330 67 67 GLY HA2 H 3.967 0.000 1 331 67 67 GLY HA3 H 3.967 0.000 1 332 67 67 GLY C C 174.714 0.001 1 333 67 67 GLY CA C 45.363 0.000 1 334 67 67 GLY N N 112.809 0.000 1 335 68 68 GLY H H 8.307 0.002 1 336 68 68 GLY HA2 H 3.941 0.000 1 337 68 68 GLY HA3 H 3.941 0.000 1 338 68 68 GLY C C 173.771 0.001 1 339 68 68 GLY CA C 45.009 0.000 1 340 68 68 GLY N N 108.935 0.000 1 341 69 69 ALA H H 8.239 0.000 1 342 69 69 ALA HA H 4.345 0.003 1 343 69 69 ALA C C 177.723 0.002 1 344 69 69 ALA CA C 52.308 0.013 1 345 69 69 ALA N N 123.874 0.000 1 346 70 70 VAL H H 8.307 0.002 1 347 70 70 VAL HA H 4.086 0.000 1 348 70 70 VAL C C 176.406 0.006 1 349 70 70 VAL CA C 62.442 0.000 1 350 70 70 VAL N N 120.768 0.000 1 351 71 71 VAL H H 8.487 0.003 1 352 71 71 VAL HA H 4.215 0.002 1 353 71 71 VAL C C 176.351 0.001 1 354 71 71 VAL CA C 62.100 0.042 1 355 71 71 VAL N N 125.775 0.000 1 356 72 72 THR H H 8.399 0.002 1 357 72 72 THR HA H 4.357 0.000 1 358 72 72 THR C C 174.949 0.004 1 359 72 72 THR CA C 61.870 0.000 1 360 72 72 THR N N 118.970 0.000 1 361 73 73 GLY H H 8.518 0.000 1 362 73 73 GLY HA2 H 3.987 0.000 1 363 73 73 GLY HA3 H 3.987 0.000 1 364 73 73 GLY C C 174.043 0.003 1 365 73 73 GLY CA C 45.211 0.000 1 366 73 73 GLY N N 111.520 0.000 1 367 74 74 VAL H H 8.163 0.001 1 368 74 74 VAL HA H 4.186 0.003 1 369 74 74 VAL C C 176.627 0.000 1 370 74 74 VAL CA C 62.316 0.036 1 371 74 74 VAL N N 119.729 0.000 1 372 75 75 THR H H 8.389 0.001 1 373 75 75 THR HA H 4.306 0.000 1 374 75 75 THR C C 174.110 0.005 1 375 75 75 THR CA C 61.992 0.000 1 376 75 75 THR N N 119.329 0.000 1 377 76 76 ALA H H 8.461 0.002 1 378 76 76 ALA HA H 4.340 0.001 1 379 76 76 ALA C C 177.627 0.001 1 380 76 76 ALA CA C 52.445 0.003 1 381 76 76 ALA N N 127.656 0.000 1 382 77 77 VAL H H 8.238 0.002 1 383 77 77 VAL HA H 4.048 0.000 1 384 77 77 VAL C C 176.077 0.002 1 385 77 77 VAL CA C 62.261 0.000 1 386 77 77 VAL N N 120.388 0.000 1 387 78 78 ALA H H 8.500 0.002 1 388 78 78 ALA HA H 4.285 0.000 1 389 78 78 ALA C C 177.699 0.004 1 390 78 78 ALA CA C 52.504 0.000 1 391 78 78 ALA N N 128.411 0.000 1 392 79 79 GLN H H 8.482 0.002 1 393 79 79 GLN HA H 4.285 0.000 1 394 79 79 GLN C C 176.012 0.002 1 395 79 79 GLN CA C 55.675 0.000 1 396 79 79 GLN N N 120.550 0.000 1 397 80 80 LYS H H 8.521 0.002 1 398 80 80 LYS HA H 4.366 0.000 1 399 80 80 LYS C C 176.750 0.004 1 400 80 80 LYS CA C 56.341 0.000 1 401 80 80 LYS N N 123.531 0.000 1 402 81 81 THR H H 8.381 0.001 1 403 81 81 THR HA H 4.341 0.000 1 404 81 81 THR C C 174.483 0.002 1 405 81 81 THR CA C 61.987 0.000 1 406 81 81 THR N N 117.226 0.000 1 407 82 82 VAL H H 8.395 0.000 1 408 82 82 VAL HA H 4.113 0.000 1 409 82 82 VAL C C 176.212 0.004 1 410 82 82 VAL CA C 62.323 0.000 1 411 82 82 VAL N N 123.330 0.000 1 412 83 83 GLU H H 8.657 0.001 1 413 83 83 GLU HA H 4.261 0.000 1 414 83 83 GLU C C 177.078 0.004 1 415 83 83 GLU CA C 56.805 0.000 1 416 83 83 GLU N N 125.558 0.000 1 417 84 84 GLY H H 8.601 0.000 1 418 84 84 GLY HA2 H 3.951 0.000 1 419 84 84 GLY HA3 H 3.951 0.000 1 420 84 84 GLY C C 174.194 0.002 1 421 84 84 GLY CA C 45.247 0.000 1 422 84 84 GLY N N 110.893 0.000 1 423 85 85 ALA H H 8.340 0.001 1 424 85 85 ALA HA H 4.301 0.000 1 425 85 85 ALA C C 178.577 0.000 1 426 85 85 ALA CA C 52.925 0.000 1 427 85 85 ALA N N 124.048 0.000 1 428 86 86 GLY H H 8.576 0.002 1 429 86 86 GLY HA2 H 3.964 0.000 1 430 86 86 GLY HA3 H 3.964 0.000 1 431 86 86 GLY C C 174.338 0.004 1 432 86 86 GLY CA C 45.285 0.000 1 433 86 86 GLY N N 108.332 0.000 1 434 87 87 SER H H 8.221 0.002 1 435 87 87 SER HA H 4.459 0.001 1 436 87 87 SER C C 174.752 0.003 1 437 87 87 SER CA C 58.344 0.055 1 438 87 87 SER N N 115.815 0.000 1 439 88 88 ILE H H 8.275 0.002 1 440 88 88 ILE HA H 4.165 0.001 1 441 88 88 ILE C C 176.338 0.002 1 442 88 88 ILE CA C 61.267 0.055 1 443 88 88 ILE N N 122.979 0.000 1 444 89 89 ALA H H 8.433 0.002 1 445 89 89 ALA HA H 4.246 0.000 1 446 89 89 ALA C C 177.627 0.001 1 447 89 89 ALA CA C 52.614 0.000 1 448 89 89 ALA N N 128.296 0.000 1 449 90 90 ALA H H 8.299 0.001 1 450 90 90 ALA HA H 4.250 0.000 1 451 90 90 ALA C C 177.789 0.001 1 452 90 90 ALA CA C 52.444 0.000 1 453 90 90 ALA N N 123.528 0.000 1 454 91 91 ALA H H 8.376 0.002 1 455 91 91 ALA HA H 4.353 0.002 1 456 91 91 ALA C C 178.206 0.001 1 457 91 91 ALA CA C 52.618 0.016 1 458 91 91 ALA N N 123.625 0.000 1 459 92 92 THR H H 8.181 0.001 1 460 92 92 THR HA H 4.299 0.000 1 461 92 92 THR C C 175.213 0.003 1 462 92 92 THR CA C 62.043 0.000 1 463 92 92 THR N N 112.874 0.000 1 464 93 93 GLY H H 8.384 0.001 1 465 93 93 GLY HA2 H 3.908 0.000 1 466 93 93 GLY HA3 H 3.908 0.000 1 467 93 93 GLY C C 173.649 0.003 1 468 93 93 GLY CA C 45.143 0.000 1 469 93 93 GLY N N 110.839 0.000 1 470 94 94 PHE H H 8.164 0.001 1 471 94 94 PHE HA H 4.605 0.001 1 472 94 94 PHE C C 175.532 0.003 1 473 94 94 PHE CA C 57.838 0.014 1 474 94 94 PHE N N 120.453 0.000 1 475 95 95 VAL H H 8.133 0.001 1 476 95 95 VAL HA H 4.004 0.002 1 477 95 95 VAL C C 175.423 0.002 1 478 95 95 VAL CA C 61.954 0.061 1 479 95 95 VAL N N 124.111 0.000 1 480 96 96 LYS H H 8.482 0.000 1 481 96 96 LYS HA H 4.211 0.000 1 482 96 96 LYS C C 176.522 0.008 1 483 96 96 LYS CA C 56.460 0.000 1 484 96 96 LYS N N 126.668 0.000 1 485 97 97 LYS H H 8.558 0.001 1 486 97 97 LYS HA H 4.290 0.000 1 487 97 97 LYS C C 176.415 0.002 1 488 97 97 LYS CA C 56.488 0.000 1 489 97 97 LYS N N 124.029 0.000 1 490 98 98 ASP H H 8.484 0.002 1 491 98 98 ASP HA H 4.562 0.002 1 492 98 98 ASP C C 176.255 0.002 1 493 98 98 ASP CA C 54.364 0.062 1 494 98 98 ASP N N 121.402 0.000 1 495 99 99 GLN H H 8.428 0.002 1 496 99 99 GLN HA H 4.314 0.000 1 497 99 99 GLN C C 176.086 0.001 1 498 99 99 GLN CA C 55.879 0.000 1 499 99 99 GLN N N 120.371 0.000 1 500 100 100 LEU H H 8.379 0.001 1 501 100 100 LEU HA H 4.336 0.003 1 502 100 100 LEU C C 178.055 0.004 1 503 100 100 LEU CA C 55.340 0.033 1 504 100 100 LEU N N 122.991 0.000 1 505 101 101 GLY H H 8.556 0.001 1 506 101 101 GLY HA2 H 3.939 0.000 1 507 101 101 GLY HA3 H 3.939 0.000 1 508 101 101 GLY C C 174.128 0.003 1 509 101 101 GLY CA C 45.279 0.000 1 510 101 101 GLY N N 109.943 0.000 1 511 102 102 LYS H H 8.289 0.002 1 512 102 102 LYS HA H 4.306 0.000 1 513 102 102 LYS C C 176.526 0.003 1 514 102 102 LYS CA C 56.231 0.000 1 515 102 102 LYS N N 120.884 0.000 1 516 103 103 ASN H H 8.702 0.002 1 517 103 103 ASN HA H 4.689 0.002 1 518 103 103 ASN C C 175.365 0.005 1 519 103 103 ASN CA C 53.306 0.031 1 520 103 103 ASN N N 120.118 0.000 1 521 104 104 GLU H H 8.550 0.001 1 522 104 104 GLU HA H 4.295 0.000 1 523 104 104 GLU C C 176.603 0.003 1 524 104 104 GLU CA C 56.489 0.000 1 525 104 104 GLU N N 121.506 0.000 1 526 105 105 GLU H H 8.541 0.003 1 527 105 105 GLU C C 177.076 0.000 1 528 105 105 GLU CA C 56.520 0.000 1 529 105 105 GLU N N 121.944 0.000 1 530 106 106 GLY H H 8.513 0.002 1 531 106 106 GLY HA2 H 3.927 0.000 1 532 106 106 GLY HA3 H 3.927 0.000 1 533 106 106 GLY C C 173.475 0.002 1 534 106 106 GLY CA C 44.995 0.000 1 535 106 106 GLY N N 110.122 0.000 1 536 107 107 ALA H H 8.197 0.001 1 537 107 107 ALA N N 125.047 0.000 1 538 108 108 PRO HA H 4.428 0.007 1 539 108 108 PRO C C 177.089 0.004 1 540 108 108 PRO CA C 63.020 0.064 1 541 109 109 GLN H H 8.674 0.003 1 542 109 109 GLN HA H 4.298 0.000 1 543 109 109 GLN C C 176.036 0.002 1 544 109 109 GLN CA C 55.688 0.000 1 545 109 109 GLN N N 121.378 0.000 1 546 110 110 GLU H H 8.609 0.002 1 547 110 110 GLU HA H 4.287 0.000 1 548 110 110 GLU C C 176.797 0.003 1 549 110 110 GLU CA C 56.500 0.000 1 550 110 110 GLU N N 122.736 0.000 1 551 111 111 GLY H H 8.516 0.001 1 552 111 111 GLY HA2 H 3.937 0.000 1 553 111 111 GLY HA3 H 3.937 0.000 1 554 111 111 GLY C C 173.798 0.002 1 555 111 111 GLY CA C 45.242 0.000 1 556 111 111 GLY N N 110.168 0.000 1 557 112 112 ILE H H 8.081 0.002 1 558 112 112 ILE HA H 4.170 0.000 1 559 112 112 ILE C C 176.337 0.001 1 560 112 112 ILE CA C 60.880 0.059 1 561 112 112 ILE N N 120.339 0.000 1 562 113 113 LEU H H 8.495 0.002 1 563 113 113 LEU HA H 4.388 0.000 1 564 113 113 LEU C C 177.202 0.002 1 565 113 113 LEU CA C 54.980 0.024 1 566 113 113 LEU N N 127.264 0.000 1 567 114 114 GLU H H 8.497 0.002 1 568 114 114 GLU HA H 4.255 0.000 1 569 114 114 GLU C C 175.909 0.003 1 570 114 114 GLU CA C 56.388 0.000 1 571 114 114 GLU N N 122.328 0.000 1 572 115 115 ASP H H 8.442 0.003 1 573 115 115 ASP HA H 4.571 0.003 1 574 115 115 ASP C C 175.820 0.002 1 575 115 115 ASP CA C 54.225 0.000 1 576 115 115 ASP N N 121.576 0.000 1 577 116 116 MET H H 8.346 0.002 1 578 116 116 MET N N 122.184 0.000 1 579 117 117 PRO HA H 4.451 0.001 1 580 117 117 PRO C C 176.755 0.000 1 581 117 117 PRO CA C 62.844 0.059 1 582 118 118 VAL H H 8.397 0.001 1 583 118 118 VAL HA H 4.055 0.000 1 584 118 118 VAL C C 175.832 0.002 1 585 118 118 VAL CA C 61.939 0.000 1 586 118 118 VAL N N 121.080 0.000 1 587 119 119 ASP H H 8.619 0.002 1 588 119 119 ASP N N 126.223 0.000 1 589 120 120 PRO HA H 4.333 0.004 1 590 120 120 PRO C C 176.930 0.023 1 591 120 120 PRO CA C 63.453 0.039 1 592 121 121 ASP H H 8.454 0.002 1 593 121 121 ASP HA H 4.598 0.001 1 594 121 121 ASP C C 176.163 0.006 1 595 121 121 ASP CA C 54.445 0.052 1 596 121 121 ASP N N 119.382 0.000 1 597 122 122 ASN H H 8.188 0.001 1 598 122 122 ASN HA H 4.687 0.000 1 599 122 122 ASN C C 175.441 0.002 1 600 122 122 ASN CA C 53.394 0.054 1 601 122 122 ASN N N 119.304 0.000 1 602 123 123 GLU H H 8.444 0.003 1 603 123 123 GLU HA H 4.209 0.000 1 604 123 123 GLU C C 176.101 0.003 1 605 123 123 GLU CA C 56.242 0.000 1 606 123 123 GLU N N 121.844 0.000 1 607 124 124 ALA H H 8.310 0.000 1 608 124 124 ALA HA H 4.274 0.000 1 609 124 124 ALA C C 177.270 0.003 1 610 124 124 ALA CA C 52.353 0.000 1 611 124 124 ALA N N 124.583 0.000 1 612 125 125 TYR H H 8.113 0.003 1 613 125 125 TYR HA H 4.517 0.003 1 614 125 125 TYR C C 175.382 0.003 1 615 125 125 TYR CA C 57.751 0.052 1 616 125 125 TYR N N 120.153 0.000 1 617 126 126 GLU H H 8.192 0.001 1 618 126 126 GLU HA H 4.244 0.006 1 619 126 126 GLU C C 175.414 0.001 1 620 126 126 GLU CA C 55.487 0.082 1 621 126 126 GLU N N 124.002 0.000 1 622 127 127 MET H H 8.497 0.003 1 623 127 127 MET N N 124.042 0.000 1 624 128 128 PRO HA H 4.430 0.005 1 625 128 128 PRO C C 176.926 0.005 1 626 128 128 PRO CA C 63.006 0.050 1 627 129 129 SER H H 8.573 0.002 1 628 129 129 SER HA H 4.410 0.001 1 629 129 129 SER C C 174.857 0.001 1 630 129 129 SER CA C 58.258 0.038 1 631 129 129 SER N N 116.933 0.000 1 632 130 130 GLU H H 8.653 0.000 1 633 130 130 GLU HA H 4.320 0.000 1 634 130 130 GLU C C 176.507 0.023 1 635 130 130 GLU CA C 56.386 0.000 1 636 130 130 GLU N N 123.315 0.000 1 637 131 131 GLU H H 8.513 0.003 1 638 131 131 GLU HA H 4.244 0.000 1 639 131 131 GLU C C 177.003 0.001 1 640 131 131 GLU CA C 56.794 0.000 1 641 131 131 GLU N N 121.932 0.000 1 642 132 132 GLY H H 8.494 0.002 1 643 132 132 GLY HA2 H 3.894 0.000 1 644 132 132 GLY HA3 H 3.894 0.000 1 645 132 132 GLY C C 173.880 0.002 1 646 132 132 GLY CA C 45.124 0.000 1 647 132 132 GLY N N 110.102 0.000 1 648 133 133 TYR H H 8.141 0.001 1 649 133 133 TYR HA H 4.502 0.003 1 650 133 133 TYR C C 175.793 0.000 1 651 133 133 TYR CA C 58.127 0.050 1 652 133 133 TYR N N 120.430 0.000 1 653 134 134 GLN H H 8.292 0.001 1 654 134 134 GLN HA H 4.245 0.003 1 655 134 134 GLN C C 174.871 0.002 1 656 134 134 GLN CA C 55.337 0.044 1 657 134 134 GLN N N 122.943 0.000 1 658 135 135 ASP H H 8.314 0.001 1 659 135 135 ASP HA H 4.530 0.005 1 660 135 135 ASP C C 175.529 0.001 1 661 135 135 ASP CA C 54.121 0.049 1 662 135 135 ASP N N 121.788 0.000 1 663 136 136 TYR H H 8.132 0.001 1 664 136 136 TYR HA H 4.552 0.001 1 665 136 136 TYR C C 175.137 0.004 1 666 136 136 TYR CA C 57.593 0.029 1 667 136 136 TYR N N 120.780 0.000 1 668 137 137 GLU H H 8.318 0.002 1 669 137 137 GLU N N 125.527 0.000 1 670 138 138 PRO HA H 4.341 0.003 1 671 138 138 PRO C C 176.906 0.002 1 672 138 138 PRO CA C 62.848 0.058 1 673 139 139 GLU H H 8.597 0.002 1 674 139 139 GLU HA H 4.214 0.000 1 675 139 139 GLU C C 175.447 0.000 1 676 139 139 GLU CA C 56.521 0.000 1 677 139 139 GLU N N 121.721 0.000 1 678 140 140 ALA H H 8.091 0.001 1 679 140 140 ALA HA H 4.100 0.002 1 680 140 140 ALA C C 182.611 0.000 1 681 140 140 ALA CA C 53.747 0.000 1 682 140 140 ALA N N 131.080 0.000 1 stop_ save_ save_assigned_chem_shift_list_21 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_6.09 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.111 0.003 1 2 1 1 MET C C 172.103 0.006 1 3 1 1 MET CA C 54.977 0.018 1 4 2 2 ASP H H 8.838 0.001 1 5 2 2 ASP HA H 4.703 0.007 1 6 2 2 ASP C C 175.836 0.005 1 7 2 2 ASP CA C 54.195 0.031 1 8 3 3 VAL H H 8.351 0.001 1 9 3 3 VAL HA H 4.020 0.000 1 10 3 3 VAL C C 175.933 0.004 1 11 3 3 VAL CA C 62.541 0.000 1 12 3 3 VAL N N 120.709 0.000 1 13 4 4 PHE H H 8.438 0.001 1 14 4 4 PHE HA H 4.600 0.003 1 15 4 4 PHE C C 175.846 0.001 1 16 4 4 PHE CA C 57.915 0.057 1 17 4 4 PHE N N 123.907 0.000 1 18 5 5 MET H H 8.295 0.000 1 19 5 5 MET HA H 4.387 0.001 1 20 5 5 MET C C 175.941 0.006 1 21 5 5 MET CA C 55.275 0.039 1 22 5 5 MET N N 122.656 0.000 1 23 6 6 LYS H H 8.353 0.001 1 24 6 6 LYS HA H 4.199 0.003 1 25 6 6 LYS C C 177.193 0.007 1 26 6 6 LYS CA C 56.865 0.047 1 27 6 6 LYS N N 122.905 0.000 1 28 7 7 GLY H H 8.498 0.001 1 29 7 7 GLY HA2 H 3.939 0.000 1 30 7 7 GLY HA3 H 3.939 0.000 1 31 7 7 GLY C C 174.201 0.003 1 32 7 7 GLY CA C 45.276 0.000 1 33 7 7 GLY N N 110.103 0.000 1 34 8 8 LEU H H 8.143 0.000 1 35 8 8 LEU HA H 4.382 0.006 1 36 8 8 LEU C C 177.717 0.004 1 37 8 8 LEU CA C 55.102 0.048 1 38 8 8 LEU N N 121.668 0.000 1 39 9 9 SER H H 8.403 0.000 1 40 9 9 SER HA H 4.410 0.007 1 41 9 9 SER C C 174.601 0.007 1 42 9 9 SER CA C 58.347 0.061 1 43 9 9 SER N N 116.909 0.000 1 44 10 10 LYS H H 8.456 0.001 1 45 10 10 LYS HA H 4.367 0.000 1 46 10 10 LYS C C 176.750 0.006 1 47 10 10 LYS CA C 56.405 0.000 1 48 10 10 LYS N N 123.844 0.000 1 49 11 11 ALA H H 8.382 0.001 1 50 11 11 ALA HA H 4.247 0.000 1 51 11 11 ALA C C 177.981 0.000 1 52 11 11 ALA CA C 52.727 0.000 1 53 11 11 ALA N N 125.538 0.000 1 54 12 12 LYS H H 8.427 0.000 1 55 12 12 LYS HA H 4.266 0.000 1 56 12 12 LYS C C 176.776 0.005 1 57 12 12 LYS CA C 56.432 0.000 1 58 12 12 LYS N N 121.087 0.000 1 59 13 13 GLU H H 8.505 0.001 1 60 13 13 GLU C C 177.101 0.000 1 61 13 13 GLU CA C 56.768 0.000 1 62 13 13 GLU N N 122.381 0.000 1 63 14 14 GLY H H 8.542 0.001 1 64 14 14 GLY C C 174.076 0.000 1 65 14 14 GLY CA C 45.305 0.000 1 66 14 14 GLY N N 110.269 0.000 1 67 15 15 VAL H H 8.056 0.001 1 68 15 15 VAL HA H 4.083 0.000 1 69 15 15 VAL C C 176.564 0.001 1 70 15 15 VAL CA C 62.653 0.000 1 71 15 15 VAL N N 120.338 0.000 1 72 16 16 VAL H H 8.380 0.001 1 73 16 16 VAL C C 176.085 0.000 1 74 16 16 VAL CA C 62.546 0.000 1 75 16 16 VAL N N 125.538 0.000 1 76 17 17 ALA H H 8.533 0.000 1 77 17 17 ALA HA H 4.256 0.000 1 78 17 17 ALA C C 177.770 0.005 1 79 17 17 ALA CA C 52.629 0.000 1 80 17 17 ALA N N 128.660 0.000 1 81 18 18 ALA H H 8.397 0.001 1 82 18 18 ALA HA H 4.228 0.000 1 83 18 18 ALA C C 177.993 0.000 1 84 18 18 ALA CA C 52.769 0.000 1 85 18 18 ALA N N 123.848 0.000 1 86 19 19 ALA H H 8.357 0.001 1 87 19 19 ALA HA H 4.260 0.000 1 88 19 19 ALA C C 178.289 0.001 1 89 19 19 ALA CA C 52.847 0.000 1 90 19 19 ALA N N 123.279 0.000 1 91 20 20 GLU H H 8.405 0.000 1 92 20 20 GLU C C 177.007 0.000 1 93 20 20 GLU CA C 56.796 0.000 1 94 20 20 GLU N N 120.293 0.000 1 95 21 21 LYS H H 8.417 0.002 1 96 21 21 LYS HA H 4.313 0.000 1 97 21 21 LYS C C 177.248 0.001 1 98 21 21 LYS CA C 56.755 0.000 1 99 21 21 LYS N N 122.493 0.000 1 100 22 22 THR H H 8.216 0.002 1 101 22 22 THR HA H 4.263 0.000 1 102 22 22 THR C C 174.767 0.000 1 103 22 22 THR CA C 62.369 0.000 1 104 22 22 THR N N 115.562 0.000 1 105 23 23 LYS H H 8.430 0.001 1 106 23 23 LYS HA H 4.277 0.000 1 107 23 23 LYS C C 176.779 0.003 1 108 23 23 LYS CA C 56.806 0.000 1 109 23 23 LYS N N 123.937 0.000 1 110 24 24 GLN H H 8.508 0.002 1 111 24 24 GLN HA H 4.290 0.000 1 112 24 24 GLN C C 176.681 0.005 1 113 24 24 GLN CA C 56.308 0.000 1 114 24 24 GLN N N 122.335 0.000 1 115 25 25 GLY H H 8.557 0.001 1 116 25 25 GLY HA2 H 3.978 0.000 1 117 25 25 GLY HA3 H 3.978 0.000 1 118 25 25 GLY C C 174.332 0.002 1 119 25 25 GLY CA C 45.361 0.000 1 120 25 25 GLY N N 110.709 0.000 1 121 26 26 VAL H H 8.095 0.000 1 122 26 26 VAL HA H 4.062 0.000 1 123 26 26 VAL C C 176.485 0.005 1 124 26 26 VAL CA C 62.694 0.000 1 125 26 26 VAL N N 119.994 0.000 1 126 27 27 ALA H H 8.499 0.002 1 127 27 27 ALA HA H 4.284 0.000 1 128 27 27 ALA C C 178.242 0.001 1 129 27 27 ALA CA C 52.848 0.000 1 130 27 27 ALA N N 127.538 0.000 1 131 28 28 GLU H H 8.481 0.002 1 132 28 28 GLU HA H 4.197 0.000 1 133 28 28 GLU C C 176.752 0.002 1 134 28 28 GLU CA C 56.878 0.000 1 135 28 28 GLU N N 120.735 0.000 1 136 29 29 ALA H H 8.377 0.001 1 137 29 29 ALA HA H 4.262 0.000 1 138 29 29 ALA C C 177.839 0.000 1 139 29 29 ALA CA C 52.727 0.000 1 140 29 29 ALA N N 125.082 0.000 1 141 30 30 ALA H H 8.312 0.001 1 142 30 30 ALA HA H 4.287 0.000 1 143 30 30 ALA C C 178.553 0.001 1 144 30 30 ALA CA C 52.821 0.000 1 145 30 30 ALA N N 123.160 0.000 1 146 31 31 GLY H H 8.386 0.002 1 147 31 31 GLY HA2 H 3.925 0.000 1 148 31 31 GLY HA3 H 3.925 0.000 1 149 31 31 GLY C C 174.248 0.008 1 150 31 31 GLY CA C 45.328 0.000 1 151 31 31 GLY N N 107.893 0.000 1 152 32 32 LYS H H 8.178 0.001 1 153 32 32 LYS HA H 4.420 0.003 1 154 32 32 LYS C C 177.084 0.002 1 155 32 32 LYS CA C 56.243 0.002 1 156 32 32 LYS N N 120.812 0.000 1 157 33 33 THR H H 8.311 0.001 1 158 33 33 THR HA H 4.330 0.000 1 159 33 33 THR C C 174.721 0.007 1 160 33 33 THR CA C 61.990 0.000 1 161 33 33 THR N N 115.831 0.000 1 162 34 34 LYS H H 8.560 0.001 1 163 34 34 LYS C C 176.598 0.000 1 164 34 34 LYS CA C 56.565 0.000 1 165 34 34 LYS N N 124.029 0.000 1 166 35 35 GLU H H 8.534 0.001 1 167 35 35 GLU HA H 4.256 0.000 1 168 35 35 GLU C C 177.007 0.002 1 169 35 35 GLU CA C 56.521 0.000 1 170 35 35 GLU N N 122.173 0.000 1 171 36 36 GLY H H 8.515 0.001 1 172 36 36 GLY HA2 H 3.951 0.000 1 173 36 36 GLY HA3 H 3.951 0.000 1 174 36 36 GLY C C 174.064 0.007 1 175 36 36 GLY CA C 45.263 0.000 1 176 36 36 GLY N N 110.364 0.000 1 177 37 37 VAL H H 7.991 0.002 1 178 37 37 VAL HA H 4.056 0.000 1 179 37 37 VAL C C 176.012 0.009 1 180 37 37 VAL CA C 62.377 0.000 1 181 37 37 VAL N N 119.750 0.000 1 182 38 38 LEU H H 8.367 0.000 1 183 38 38 LEU HA H 4.344 0.002 1 184 38 38 LEU C C 176.719 0.002 1 185 38 38 LEU CA C 54.945 0.025 1 186 38 38 LEU N N 126.048 0.000 1 187 39 39 TYR H H 8.361 0.002 1 188 39 39 TYR HA H 4.582 0.001 1 189 39 39 TYR C C 175.631 0.003 1 190 39 39 TYR CA C 57.904 0.027 1 191 39 39 TYR N N 122.690 0.000 1 192 40 40 VAL H H 8.155 0.001 1 193 40 40 VAL HA H 4.049 0.000 1 194 40 40 VAL C C 176.173 0.007 1 195 40 40 VAL CA C 62.206 0.000 1 196 40 40 VAL N N 123.695 0.000 1 197 41 41 GLY H H 8.105 0.002 1 198 41 41 GLY HA2 H 3.927 0.000 1 199 41 41 GLY HA3 H 3.927 0.000 1 200 41 41 GLY C C 173.983 0.003 1 201 41 41 GLY CA C 45.145 0.000 1 202 41 41 GLY N N 112.307 0.000 1 203 42 42 SER H H 8.330 0.001 1 204 42 42 SER HA H 4.441 0.002 1 205 42 42 SER C C 174.836 0.003 1 206 42 42 SER CA C 58.335 0.052 1 207 42 42 SER N N 115.703 0.000 1 208 43 43 LYS H H 8.564 0.001 1 209 43 43 LYS HA H 4.421 0.008 1 210 43 43 LYS C C 176.931 0.013 1 211 43 43 LYS CA C 56.428 0.021 1 212 43 43 LYS N N 123.620 0.000 1 213 44 44 THR H H 8.253 0.001 1 214 44 44 THR HA H 4.312 0.000 1 215 44 44 THR C C 174.613 0.022 1 216 44 44 THR CA C 61.968 0.000 1 217 44 44 THR N N 115.736 0.000 1 218 45 45 LYS H H 8.512 0.001 1 219 45 45 LYS HA H 4.289 0.000 1 220 45 45 LYS C C 176.596 0.001 1 221 45 45 LYS CA C 56.488 0.000 1 222 45 45 LYS N N 124.022 0.000 1 223 46 46 GLU H H 8.542 0.001 1 224 46 46 GLU HA H 4.255 0.000 1 225 46 46 GLU C C 177.007 0.004 1 226 46 46 GLU CA C 56.541 0.000 1 227 46 46 GLU N N 122.380 0.000 1 228 47 47 GLY H H 8.513 0.002 1 229 47 47 GLY HA2 H 3.905 0.000 1 230 47 47 GLY HA3 H 3.905 0.000 1 231 47 47 GLY C C 173.890 0.020 1 232 47 47 GLY CA C 45.194 0.000 1 233 47 47 GLY N N 110.374 0.000 1 234 48 48 VAL H H 8.000 0.001 1 235 48 48 VAL HA H 4.082 0.000 1 236 48 48 VAL C C 176.132 0.004 1 237 48 48 VAL CA C 62.273 0.000 1 238 48 48 VAL N N 119.983 0.000 1 239 49 49 VAL H H 8.382 0.000 1 240 49 49 VAL HA H 4.056 0.000 1 241 49 49 VAL C C 175.992 0.011 1 242 49 49 VAL CA C 62.248 0.000 1 243 49 49 VAL N N 125.199 0.000 1 244 50 50 HIS H H 8.742 0.001 1 245 50 50 HIS HA H 4.703 0.004 1 246 50 50 HIS C C 175.044 0.019 1 247 50 50 HIS CA C 55.460 0.034 1 248 50 50 HIS N N 123.924 0.000 1 249 51 51 GLY H H 8.551 0.003 1 250 51 51 GLY HA2 H 3.988 0.000 1 251 51 51 GLY HA3 H 3.988 0.000 1 252 51 51 GLY C C 173.774 0.002 1 253 51 51 GLY CA C 45.059 0.000 1 254 51 51 GLY N N 110.709 0.000 1 255 52 52 VAL H H 8.169 0.001 1 256 52 52 VAL HA H 4.144 0.001 1 257 52 52 VAL C C 176.002 0.001 1 258 52 52 VAL CA C 61.992 0.042 1 259 52 52 VAL N N 119.749 0.000 1 260 53 53 ALA H H 8.582 0.001 1 261 53 53 ALA HA H 4.404 0.001 1 262 53 53 ALA C C 177.894 0.001 1 263 53 53 ALA CA C 52.392 0.009 1 264 53 53 ALA N N 128.471 0.000 1 265 54 54 THR H H 8.319 0.002 1 266 54 54 THR HA H 4.312 0.000 1 267 54 54 THR C C 174.589 0.001 1 268 54 54 THR CA C 61.870 0.000 1 269 54 54 THR N N 115.171 0.000 1 270 55 55 VAL H H 8.338 0.001 1 271 55 55 VAL HA H 4.084 0.000 1 272 55 55 VAL C C 175.918 0.005 1 273 55 55 VAL CA C 62.422 0.000 1 274 55 55 VAL N N 123.341 0.000 1 275 56 56 ALA H H 8.510 0.001 1 276 56 56 ALA HA H 4.281 0.000 1 277 56 56 ALA C C 177.853 0.001 1 278 56 56 ALA CA C 52.564 0.000 1 279 56 56 ALA N N 128.370 0.000 1 280 57 57 GLU H H 8.456 0.001 1 281 57 57 GLU C C 176.767 0.000 1 282 57 57 GLU CA C 56.557 0.000 1 283 57 57 GLU N N 121.111 0.000 1 284 58 58 LYS H H 8.523 0.001 1 285 58 58 LYS HA H 4.353 0.000 1 286 58 58 LYS C C 177.043 0.001 1 287 58 58 LYS CA C 56.809 0.000 1 288 58 58 LYS N N 123.080 0.000 1 289 59 59 THR H H 8.303 0.004 1 290 59 59 THR HA H 4.275 0.000 1 291 59 59 THR C C 174.689 0.002 1 292 59 59 THR CA C 62.219 0.000 1 293 59 59 THR N N 116.267 0.000 1 294 60 60 LYS H H 8.474 0.000 1 295 60 60 LYS HA H 4.283 0.000 1 296 60 60 LYS C C 176.795 0.007 1 297 60 60 LYS CA C 56.682 0.000 1 298 60 60 LYS N N 123.884 0.000 1 299 61 61 GLU H H 8.515 0.002 1 300 61 61 GLU C C 176.591 0.000 1 301 61 61 GLU CA C 56.602 0.000 1 302 61 61 GLU N N 122.377 0.000 1 303 62 62 GLN H H 8.523 0.000 1 304 62 62 GLN HA H 4.334 0.000 1 305 62 62 GLN C C 176.024 0.003 1 306 62 62 GLN CA C 55.816 0.000 1 307 62 62 GLN N N 122.375 0.000 1 308 63 63 VAL H H 8.371 0.003 1 309 63 63 VAL HA H 4.185 0.003 1 310 63 63 VAL C C 176.417 0.001 1 311 63 63 VAL CA C 62.350 0.036 1 312 63 63 VAL N N 122.192 0.000 1 313 64 64 THR H H 8.386 0.001 1 314 64 64 THR HA H 4.357 0.000 1 315 64 64 THR C C 174.085 0.006 1 316 64 64 THR CA C 61.845 0.000 1 317 64 64 THR N N 118.369 0.000 1 318 65 65 ASN H H 8.601 0.001 1 319 65 65 ASN HA H 4.777 0.005 1 320 65 65 ASN C C 175.308 0.005 1 321 65 65 ASN CA C 53.078 0.026 1 322 65 65 ASN N N 121.984 0.000 1 323 66 66 VAL H H 8.327 0.001 1 324 66 66 VAL HA H 4.117 0.001 1 325 66 66 VAL C C 176.940 0.001 1 326 66 66 VAL CA C 62.669 0.041 1 327 66 66 VAL N N 120.964 0.000 1 328 67 67 GLY H H 8.637 0.001 1 329 67 67 GLY HA2 H 3.969 0.000 1 330 67 67 GLY HA3 H 3.969 0.000 1 331 67 67 GLY C C 174.713 0.002 1 332 67 67 GLY CA C 45.365 0.000 1 333 67 67 GLY N N 112.814 0.000 1 334 68 68 GLY H H 8.304 0.000 1 335 68 68 GLY HA2 H 3.939 0.000 1 336 68 68 GLY HA3 H 3.939 0.000 1 337 68 68 GLY C C 173.772 0.001 1 338 68 68 GLY CA C 44.998 0.000 1 339 68 68 GLY N N 108.925 0.000 1 340 69 69 ALA H H 8.239 0.000 1 341 69 69 ALA HA H 4.344 0.001 1 342 69 69 ALA C C 177.724 0.001 1 343 69 69 ALA CA C 52.317 0.022 1 344 69 69 ALA N N 123.872 0.000 1 345 70 70 VAL H H 8.306 0.002 1 346 70 70 VAL HA H 4.084 0.000 1 347 70 70 VAL C C 176.406 0.006 1 348 70 70 VAL CA C 62.435 0.000 1 349 70 70 VAL N N 120.772 0.000 1 350 71 71 VAL H H 8.486 0.003 1 351 71 71 VAL HA H 4.212 0.006 1 352 71 71 VAL C C 176.353 0.001 1 353 71 71 VAL CA C 62.117 0.025 1 354 71 71 VAL N N 125.774 0.000 1 355 72 72 THR H H 8.398 0.000 1 356 72 72 THR HA H 4.360 0.000 1 357 72 72 THR C C 174.949 0.004 1 358 72 72 THR CA C 61.870 0.000 1 359 72 72 THR N N 118.962 0.000 1 360 73 73 GLY H H 8.518 0.000 1 361 73 73 GLY HA2 H 3.987 0.000 1 362 73 73 GLY HA3 H 3.987 0.000 1 363 73 73 GLY C C 174.042 0.002 1 364 73 73 GLY CA C 45.211 0.000 1 365 73 73 GLY N N 111.518 0.000 1 366 74 74 VAL H H 8.164 0.001 1 367 74 74 VAL HA H 4.186 0.002 1 368 74 74 VAL C C 176.627 0.000 1 369 74 74 VAL CA C 62.333 0.019 1 370 74 74 VAL N N 119.729 0.000 1 371 75 75 THR H H 8.388 0.000 1 372 75 75 THR HA H 4.303 0.000 1 373 75 75 THR C C 174.117 0.001 1 374 75 75 THR CA C 61.993 0.000 1 375 75 75 THR N N 119.332 0.000 1 376 76 76 ALA H H 8.461 0.002 1 377 76 76 ALA HA H 4.340 0.001 1 378 76 76 ALA C C 177.630 0.001 1 379 76 76 ALA CA C 52.440 0.002 1 380 76 76 ALA N N 127.650 0.000 1 381 77 77 VAL H H 8.238 0.001 1 382 77 77 VAL HA H 4.047 0.000 1 383 77 77 VAL C C 176.075 0.003 1 384 77 77 VAL CA C 62.261 0.000 1 385 77 77 VAL N N 120.393 0.000 1 386 78 78 ALA H H 8.496 0.000 1 387 78 78 ALA HA H 4.283 0.000 1 388 78 78 ALA C C 177.697 0.004 1 389 78 78 ALA CA C 52.506 0.000 1 390 78 78 ALA N N 128.431 0.000 1 391 79 79 GLN H H 8.482 0.002 1 392 79 79 GLN HA H 4.285 0.000 1 393 79 79 GLN C C 176.012 0.002 1 394 79 79 GLN CA C 55.675 0.000 1 395 79 79 GLN N N 120.550 0.000 1 396 80 80 LYS H H 8.521 0.002 1 397 80 80 LYS HA H 4.367 0.000 1 398 80 80 LYS C C 176.748 0.006 1 399 80 80 LYS CA C 56.341 0.000 1 400 80 80 LYS N N 123.531 0.000 1 401 81 81 THR H H 8.381 0.001 1 402 81 81 THR HA H 4.340 0.000 1 403 81 81 THR C C 174.483 0.002 1 404 81 81 THR CA C 61.987 0.000 1 405 81 81 THR N N 117.223 0.000 1 406 82 82 VAL H H 8.395 0.000 1 407 82 82 VAL HA H 4.112 0.000 1 408 82 82 VAL C C 176.214 0.002 1 409 82 82 VAL CA C 62.328 0.000 1 410 82 82 VAL N N 123.330 0.000 1 411 83 83 GLU H H 8.656 0.001 1 412 83 83 GLU HA H 4.259 0.000 1 413 83 83 GLU C C 177.083 0.003 1 414 83 83 GLU CA C 56.806 0.000 1 415 83 83 GLU N N 125.566 0.000 1 416 84 84 GLY H H 8.601 0.000 1 417 84 84 GLY HA2 H 3.951 0.000 1 418 84 84 GLY HA3 H 3.951 0.000 1 419 84 84 GLY C C 174.195 0.003 1 420 84 84 GLY CA C 45.247 0.000 1 421 84 84 GLY N N 110.904 0.000 1 422 85 85 ALA H H 8.339 0.001 1 423 85 85 ALA HA H 4.301 0.000 1 424 85 85 ALA C C 178.576 0.001 1 425 85 85 ALA CA C 52.915 0.000 1 426 85 85 ALA N N 124.047 0.000 1 427 86 86 GLY H H 8.576 0.002 1 428 86 86 GLY HA2 H 3.963 0.000 1 429 86 86 GLY HA3 H 3.963 0.000 1 430 86 86 GLY C C 174.337 0.007 1 431 86 86 GLY CA C 45.271 0.000 1 432 86 86 GLY N N 108.323 0.000 1 433 87 87 SER H H 8.221 0.001 1 434 87 87 SER HA H 4.458 0.000 1 435 87 87 SER C C 174.752 0.006 1 436 87 87 SER CA C 58.358 0.031 1 437 87 87 SER N N 115.816 0.000 1 438 88 88 ILE H H 8.274 0.000 1 439 88 88 ILE HA H 4.165 0.002 1 440 88 88 ILE C C 176.337 0.004 1 441 88 88 ILE CA C 61.285 0.035 1 442 88 88 ILE N N 122.979 0.000 1 443 89 89 ALA H H 8.433 0.001 1 444 89 89 ALA HA H 4.242 0.000 1 445 89 89 ALA C C 177.627 0.001 1 446 89 89 ALA CA C 52.614 0.000 1 447 89 89 ALA N N 128.301 0.000 1 448 90 90 ALA H H 8.299 0.000 1 449 90 90 ALA HA H 4.250 0.000 1 450 90 90 ALA C C 177.791 0.000 1 451 90 90 ALA CA C 52.445 0.000 1 452 90 90 ALA N N 123.531 0.000 1 453 91 91 ALA H H 8.375 0.001 1 454 91 91 ALA HA H 4.351 0.004 1 455 91 91 ALA C C 178.208 0.001 1 456 91 91 ALA CA C 52.614 0.010 1 457 91 91 ALA N N 123.635 0.000 1 458 92 92 THR H H 8.181 0.000 1 459 92 92 THR HA H 4.297 0.000 1 460 92 92 THR C C 175.216 0.001 1 461 92 92 THR CA C 62.043 0.000 1 462 92 92 THR N N 112.869 0.000 1 463 93 93 GLY H H 8.383 0.000 1 464 93 93 GLY HA2 H 3.908 0.000 1 465 93 93 GLY HA3 H 3.908 0.000 1 466 93 93 GLY C C 173.648 0.003 1 467 93 93 GLY CA C 45.143 0.000 1 468 93 93 GLY N N 110.847 0.000 1 469 94 94 PHE H H 8.164 0.001 1 470 94 94 PHE HA H 4.604 0.002 1 471 94 94 PHE C C 175.537 0.002 1 472 94 94 PHE CA C 57.852 0.005 1 473 94 94 PHE N N 120.453 0.000 1 474 95 95 VAL H H 8.132 0.001 1 475 95 95 VAL HA H 3.999 0.000 1 476 95 95 VAL C C 175.421 0.001 1 477 95 95 VAL CA C 62.015 0.000 1 478 95 95 VAL N N 124.118 0.000 1 479 96 96 LYS H H 8.482 0.001 1 480 96 96 LYS HA H 4.222 0.000 1 481 96 96 LYS C C 176.514 0.018 1 482 96 96 LYS CA C 56.460 0.000 1 483 96 96 LYS N N 126.668 0.000 1 484 97 97 LYS H H 8.559 0.001 1 485 97 97 LYS HA H 4.290 0.000 1 486 97 97 LYS C C 176.419 0.009 1 487 97 97 LYS CA C 56.500 0.000 1 488 97 97 LYS N N 124.029 0.000 1 489 98 98 ASP H H 8.482 0.002 1 490 98 98 ASP HA H 4.562 0.002 1 491 98 98 ASP C C 176.257 0.004 1 492 98 98 ASP CA C 54.380 0.058 1 493 98 98 ASP N N 121.419 0.000 1 494 99 99 GLN H H 8.426 0.000 1 495 99 99 GLN HA H 4.314 0.000 1 496 99 99 GLN C C 176.086 0.001 1 497 99 99 GLN CA C 55.879 0.000 1 498 99 99 GLN N N 120.362 0.000 1 499 100 100 LEU H H 8.379 0.001 1 500 100 100 LEU HA H 4.334 0.003 1 501 100 100 LEU C C 178.058 0.003 1 502 100 100 LEU CA C 55.369 0.040 1 503 100 100 LEU N N 122.991 0.000 1 504 101 101 GLY H H 8.556 0.003 1 505 101 101 GLY HA2 H 3.940 0.000 1 506 101 101 GLY HA3 H 3.940 0.000 1 507 101 101 GLY C C 174.117 0.005 1 508 101 101 GLY CA C 45.279 0.000 1 509 101 101 GLY N N 109.948 0.000 1 510 102 102 LYS H H 8.288 0.001 1 511 102 102 LYS HA H 4.306 0.000 1 512 102 102 LYS C C 176.525 0.003 1 513 102 102 LYS CA C 56.233 0.000 1 514 102 102 LYS N N 120.882 0.000 1 515 103 103 ASN H H 8.701 0.002 1 516 103 103 ASN HA H 4.687 0.001 1 517 103 103 ASN C C 175.366 0.002 1 518 103 103 ASN CA C 53.303 0.028 1 519 103 103 ASN N N 120.130 0.000 1 520 104 104 GLU H H 8.551 0.001 1 521 104 104 GLU HA H 4.295 0.000 1 522 104 104 GLU C C 176.603 0.003 1 523 104 104 GLU CA C 56.489 0.000 1 524 104 104 GLU N N 121.522 0.000 1 525 105 105 GLU H H 8.539 0.002 1 526 105 105 GLU C C 177.084 0.000 1 527 105 105 GLU CA C 56.520 0.000 1 528 105 105 GLU N N 121.986 0.000 1 529 106 106 GLY H H 8.513 0.002 1 530 106 106 GLY HA2 H 3.925 0.000 1 531 106 106 GLY HA3 H 3.925 0.000 1 532 106 106 GLY C C 173.475 0.002 1 533 106 106 GLY CA C 44.999 0.000 1 534 106 106 GLY N N 110.122 0.000 1 535 107 107 ALA H H 8.196 0.002 1 536 107 107 ALA N N 125.046 0.000 1 537 108 108 PRO HA H 4.429 0.006 1 538 108 108 PRO C C 177.086 0.004 1 539 108 108 PRO CA C 63.029 0.047 1 540 109 109 GLN H H 8.675 0.002 1 541 109 109 GLN HA H 4.298 0.000 1 542 109 109 GLN C C 176.036 0.001 1 543 109 109 GLN CA C 55.679 0.000 1 544 109 109 GLN N N 121.378 0.000 1 545 110 110 GLU H H 8.610 0.001 1 546 110 110 GLU HA H 4.287 0.000 1 547 110 110 GLU C C 176.797 0.003 1 548 110 110 GLU CA C 56.500 0.000 1 549 110 110 GLU N N 122.736 0.000 1 550 111 111 GLY H H 8.516 0.001 1 551 111 111 GLY HA2 H 3.937 0.000 1 552 111 111 GLY HA3 H 3.937 0.000 1 553 111 111 GLY C C 173.796 0.001 1 554 111 111 GLY CA C 45.242 0.000 1 555 111 111 GLY N N 110.168 0.000 1 556 112 112 ILE H H 8.081 0.001 1 557 112 112 ILE HA H 4.169 0.001 1 558 112 112 ILE C C 176.337 0.001 1 559 112 112 ILE CA C 60.880 0.034 1 560 112 112 ILE N N 120.339 0.000 1 561 113 113 LEU H H 8.495 0.001 1 562 113 113 LEU HA H 4.389 0.001 1 563 113 113 LEU C C 177.196 0.004 1 564 113 113 LEU CA C 54.975 0.020 1 565 113 113 LEU N N 127.296 0.000 1 566 114 114 GLU H H 8.501 0.001 1 567 114 114 GLU HA H 4.255 0.000 1 568 114 114 GLU C C 175.921 0.007 1 569 114 114 GLU CA C 56.398 0.000 1 570 114 114 GLU N N 122.348 0.000 1 571 115 115 ASP H H 8.441 0.002 1 572 115 115 ASP HA H 4.566 0.000 1 573 115 115 ASP C C 175.818 0.000 1 574 115 115 ASP CA C 54.236 0.009 1 575 115 115 ASP N N 121.615 0.000 1 576 116 116 MET H H 8.346 0.002 1 577 116 116 MET N N 122.184 0.000 1 578 117 117 PRO HA H 4.451 0.001 1 579 117 117 PRO C C 176.751 0.004 1 580 117 117 PRO CA C 62.844 0.059 1 581 118 118 VAL H H 8.397 0.001 1 582 118 118 VAL HA H 4.053 0.000 1 583 118 118 VAL C C 175.840 0.004 1 584 118 118 VAL CA C 61.924 0.000 1 585 118 118 VAL N N 121.080 0.000 1 586 119 119 ASP H H 8.617 0.002 1 587 119 119 ASP N N 126.245 0.000 1 588 120 120 PRO HA H 4.335 0.005 1 589 120 120 PRO C C 176.930 0.019 1 590 120 120 PRO CA C 63.434 0.041 1 591 121 121 ASP H H 8.453 0.001 1 592 121 121 ASP HA H 4.595 0.001 1 593 121 121 ASP C C 176.188 0.003 1 594 121 121 ASP CA C 54.472 0.040 1 595 121 121 ASP N N 119.417 0.000 1 596 122 122 ASN H H 8.186 0.000 1 597 122 122 ASN HA H 4.690 0.002 1 598 122 122 ASN C C 175.444 0.004 1 599 122 122 ASN CA C 53.389 0.049 1 600 122 122 ASN N N 119.293 0.000 1 601 123 123 GLU H H 8.448 0.001 1 602 123 123 GLU HA H 4.204 0.000 1 603 123 123 GLU C C 176.106 0.000 1 604 123 123 GLU CA C 56.245 0.000 1 605 123 123 GLU N N 121.886 0.000 1 606 124 124 ALA H H 8.310 0.000 1 607 124 124 ALA HA H 4.277 0.000 1 608 124 124 ALA C C 177.264 0.000 1 609 124 124 ALA CA C 52.342 0.000 1 610 124 124 ALA N N 124.606 0.000 1 611 125 125 TYR H H 8.116 0.002 1 612 125 125 TYR HA H 4.512 0.008 1 613 125 125 TYR C C 175.375 0.001 1 614 125 125 TYR CA C 57.755 0.037 1 615 125 125 TYR N N 120.223 0.000 1 616 126 126 GLU H H 8.197 0.000 1 617 126 126 GLU HA H 4.240 0.005 1 618 126 126 GLU C C 175.424 0.003 1 619 126 126 GLU CA C 55.528 0.025 1 620 126 126 GLU N N 124.061 0.000 1 621 127 127 MET H H 8.496 0.001 1 622 127 127 MET N N 124.082 0.000 1 623 128 128 PRO HA H 4.432 0.003 1 624 128 128 PRO C C 176.919 0.001 1 625 128 128 PRO CA C 63.017 0.034 1 626 129 129 SER H H 8.575 0.000 1 627 129 129 SER HA H 4.409 0.000 1 628 129 129 SER C C 174.853 0.001 1 629 129 129 SER CA C 58.251 0.031 1 630 129 129 SER N N 116.959 0.000 1 631 130 130 GLU H H 8.656 0.002 1 632 130 130 GLU HA H 4.320 0.000 1 633 130 130 GLU C C 176.507 0.023 1 634 130 130 GLU CA C 56.386 0.000 1 635 130 130 GLU N N 123.315 0.000 1 636 131 131 GLU H H 8.511 0.002 1 637 131 131 GLU HA H 4.244 0.000 1 638 131 131 GLU C C 177.003 0.001 1 639 131 131 GLU CA C 56.794 0.000 1 640 131 131 GLU N N 121.934 0.000 1 641 132 132 GLY H H 8.494 0.002 1 642 132 132 GLY HA2 H 3.894 0.000 1 643 132 132 GLY HA3 H 3.894 0.000 1 644 132 132 GLY C C 173.877 0.005 1 645 132 132 GLY CA C 45.124 0.000 1 646 132 132 GLY N N 110.102 0.000 1 647 133 133 TYR H H 8.143 0.000 1 648 133 133 TYR HA H 4.501 0.002 1 649 133 133 TYR C C 175.788 0.004 1 650 133 133 TYR CA C 58.151 0.039 1 651 133 133 TYR N N 120.477 0.000 1 652 134 134 GLN H H 8.291 0.002 1 653 134 134 GLN HA H 4.247 0.001 1 654 134 134 GLN C C 174.862 0.006 1 655 134 134 GLN CA C 55.358 0.002 1 656 134 134 GLN N N 122.943 0.000 1 657 135 135 ASP H H 8.312 0.002 1 658 135 135 ASP HA H 4.527 0.004 1 659 135 135 ASP C C 175.547 0.008 1 660 135 135 ASP CA C 54.163 0.022 1 661 135 135 ASP N N 121.824 0.000 1 662 136 136 TYR H H 8.129 0.001 1 663 136 136 TYR HA H 4.553 0.004 1 664 136 136 TYR C C 175.136 0.004 1 665 136 136 TYR CA C 57.568 0.031 1 666 136 136 TYR N N 120.729 0.000 1 667 137 137 GLU H H 8.325 0.000 1 668 137 137 GLU N N 125.560 0.000 1 669 138 138 PRO HA H 4.343 0.003 1 670 138 138 PRO C C 176.909 0.003 1 671 138 138 PRO CA C 62.864 0.041 1 672 139 139 GLU H H 8.599 0.002 1 673 139 139 GLU HA H 4.211 0.000 1 674 139 139 GLU C C 175.456 0.002 1 675 139 139 GLU CA C 56.545 0.000 1 676 139 139 GLU N N 121.743 0.000 1 677 140 140 ALA H H 8.090 0.002 1 678 140 140 ALA HA H 4.098 0.004 1 679 140 140 ALA C C 182.625 0.000 1 680 140 140 ALA CA C 53.794 0.000 1 681 140 140 ALA N N 131.080 0.000 1 stop_ save_ save_assigned_chem_shift_list_22 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D H(NCO)CA' '2D HA(CA)CO' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_6.34 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.104 0.010 1 2 1 1 MET C C 172.281 0.000 1 3 1 1 MET CA C 54.958 0.000 1 4 2 2 ASP HA H 4.703 0.007 1 5 2 2 ASP C C 175.858 0.000 1 6 2 2 ASP CA C 54.164 0.000 1 7 3 3 VAL H H 8.349 0.001 1 8 3 3 VAL HA H 4.019 0.000 1 9 3 3 VAL C C 175.949 0.000 1 10 3 3 VAL N N 120.687 0.000 1 11 4 4 PHE H H 8.436 0.002 1 12 4 4 PHE HA H 4.600 0.003 1 13 4 4 PHE C C 175.851 0.006 1 14 4 4 PHE CA C 57.857 0.000 1 15 4 4 PHE N N 123.907 0.000 1 16 5 5 MET H H 8.295 0.000 1 17 5 5 MET HA H 4.387 0.001 1 18 5 5 MET C C 175.954 0.005 1 19 5 5 MET CA C 55.235 0.000 1 20 5 5 MET N N 122.628 0.000 1 21 6 6 LYS H H 8.352 0.000 1 22 6 6 LYS HA H 4.196 0.006 1 23 6 6 LYS C C 177.200 0.003 1 24 6 6 LYS CA C 56.818 0.000 1 25 6 6 LYS N N 122.905 0.000 1 26 7 7 GLY H H 8.498 0.001 1 27 7 7 GLY HA2 H 3.938 0.000 1 28 7 7 GLY HA3 H 3.938 0.000 1 29 7 7 GLY C C 174.207 0.004 1 30 7 7 GLY N N 110.103 0.000 1 31 8 8 LEU H H 8.142 0.000 1 32 8 8 LEU HA H 4.383 0.005 1 33 8 8 LEU C C 177.721 0.000 1 34 8 8 LEU CA C 55.053 0.000 1 35 8 8 LEU N N 121.692 0.000 1 36 9 9 SER H H 8.404 0.000 1 37 9 9 SER HA H 4.410 0.007 1 38 9 9 SER C C 174.612 0.002 1 39 9 9 SER CA C 58.286 0.000 1 40 9 9 SER N N 116.895 0.000 1 41 10 10 LYS H H 8.453 0.000 1 42 10 10 LYS HA H 4.366 0.000 1 43 10 10 LYS C C 176.751 0.005 1 44 10 10 LYS N N 123.857 0.000 1 45 11 11 ALA H H 8.383 0.002 1 46 11 11 ALA HA H 4.247 0.000 1 47 11 11 ALA C C 177.981 0.000 1 48 11 11 ALA N N 125.513 0.000 1 49 12 12 LYS H H 8.427 0.000 1 50 12 12 LYS HA H 4.266 0.000 1 51 12 12 LYS C C 176.776 0.005 1 52 12 12 LYS N N 121.087 0.000 1 53 13 13 GLU H H 8.506 0.000 1 54 13 13 GLU C C 177.105 0.000 1 55 13 13 GLU N N 122.381 0.000 1 56 14 14 GLY H H 8.543 0.000 1 57 14 14 GLY C C 174.080 0.000 1 58 14 14 GLY N N 110.269 0.000 1 59 15 15 VAL H H 8.055 0.000 1 60 15 15 VAL HA H 4.086 0.000 1 61 15 15 VAL C C 176.655 0.097 1 62 15 15 VAL N N 120.338 0.000 1 63 16 16 VAL H H 8.383 0.002 1 64 16 16 VAL C C 176.082 0.000 1 65 16 16 VAL N N 125.513 0.000 1 66 17 17 ALA H H 8.532 0.000 1 67 17 17 ALA HA H 4.256 0.000 1 68 17 17 ALA C C 177.770 0.005 1 69 17 17 ALA N N 128.691 0.000 1 70 18 18 ALA H H 8.396 0.001 1 71 18 18 ALA HA H 4.228 0.000 1 72 18 18 ALA C C 177.993 0.000 1 73 18 18 ALA N N 123.848 0.000 1 74 19 19 ALA H H 8.357 0.001 1 75 19 19 ALA HA H 4.259 0.000 1 76 19 19 ALA C C 178.288 0.000 1 77 19 19 ALA N N 123.279 0.000 1 78 20 20 GLU H H 8.405 0.000 1 79 20 20 GLU C C 177.013 0.000 1 80 20 20 GLU N N 120.293 0.000 1 81 21 21 LYS H H 8.416 0.001 1 82 21 21 LYS HA H 4.321 0.000 1 83 21 21 LYS C C 177.243 0.008 1 84 21 21 LYS N N 122.492 0.000 1 85 22 22 THR H H 8.217 0.002 1 86 22 22 THR HA H 4.271 0.000 1 87 22 22 THR C C 174.757 0.010 1 88 22 22 THR N N 115.647 0.000 1 89 23 23 LYS H H 8.428 0.001 1 90 23 23 LYS HA H 4.277 0.000 1 91 23 23 LYS C C 176.779 0.003 1 92 23 23 LYS N N 123.937 0.000 1 93 24 24 GLN H H 8.510 0.000 1 94 24 24 GLN HA H 4.290 0.000 1 95 24 24 GLN C C 176.684 0.003 1 96 24 24 GLN N N 122.335 0.000 1 97 25 25 GLY H H 8.558 0.001 1 98 25 25 GLY HA2 H 3.978 0.000 1 99 25 25 GLY HA3 H 3.978 0.000 1 100 25 25 GLY C C 174.333 0.000 1 101 25 25 GLY N N 110.709 0.000 1 102 26 26 VAL H H 8.094 0.001 1 103 26 26 VAL HA H 4.062 0.000 1 104 26 26 VAL C C 176.486 0.006 1 105 26 26 VAL N N 119.994 0.000 1 106 27 27 ALA H H 8.500 0.001 1 107 27 27 ALA HA H 4.285 0.000 1 108 27 27 ALA C C 178.243 0.002 1 109 27 27 ALA N N 127.538 0.000 1 110 28 28 GLU H H 8.482 0.002 1 111 28 28 GLU HA H 4.197 0.000 1 112 28 28 GLU C C 176.752 0.002 1 113 28 28 GLU N N 120.735 0.000 1 114 29 29 ALA H H 8.378 0.000 1 115 29 29 ALA HA H 4.262 0.000 1 116 29 29 ALA C C 177.839 0.000 1 117 29 29 ALA N N 125.082 0.000 1 118 30 30 ALA H H 8.311 0.001 1 119 30 30 ALA HA H 4.287 0.000 1 120 30 30 ALA C C 178.553 0.001 1 121 30 30 ALA N N 123.160 0.000 1 122 31 31 GLY H H 8.386 0.001 1 123 31 31 GLY HA2 H 3.925 0.000 1 124 31 31 GLY HA3 H 3.925 0.000 1 125 31 31 GLY C C 174.257 0.000 1 126 31 31 GLY N N 107.895 0.000 1 127 32 32 LYS H H 8.180 0.001 1 128 32 32 LYS HA H 4.419 0.003 1 129 32 32 LYS C C 177.086 0.001 1 130 32 32 LYS CA C 56.242 0.000 1 131 32 32 LYS N N 120.807 0.000 1 132 33 33 THR H H 8.312 0.002 1 133 33 33 THR HA H 4.336 0.000 1 134 33 33 THR C C 174.731 0.002 1 135 33 33 THR N N 115.861 0.000 1 136 34 34 LYS H H 8.559 0.000 1 137 34 34 LYS C C 176.598 0.000 1 138 34 34 LYS N N 124.034 0.000 1 139 35 35 GLU H H 8.534 0.000 1 140 35 35 GLU HA H 4.256 0.000 1 141 35 35 GLU C C 177.007 0.002 1 142 35 35 GLU N N 122.188 0.000 1 143 36 36 GLY H H 8.514 0.002 1 144 36 36 GLY HA2 H 3.955 0.000 1 145 36 36 GLY HA3 H 3.955 0.000 1 146 36 36 GLY C C 174.065 0.004 1 147 36 36 GLY N N 110.364 0.000 1 148 37 37 VAL H H 7.987 0.001 1 149 37 37 VAL HA H 4.057 0.000 1 150 37 37 VAL C C 176.010 0.014 1 151 37 37 VAL N N 119.766 0.000 1 152 38 38 LEU H H 8.367 0.000 1 153 38 38 LEU HA H 4.344 0.002 1 154 38 38 LEU C C 176.721 0.000 1 155 38 38 LEU CA C 54.920 0.000 1 156 38 38 LEU N N 126.019 0.000 1 157 39 39 TYR H H 8.362 0.001 1 158 39 39 TYR HA H 4.582 0.001 1 159 39 39 TYR C C 175.632 0.004 1 160 39 39 TYR CA C 57.877 0.000 1 161 39 39 TYR N N 122.690 0.000 1 162 40 40 VAL H H 8.157 0.000 1 163 40 40 VAL HA H 4.051 0.000 1 164 40 40 VAL C C 176.180 0.006 1 165 40 40 VAL N N 123.704 0.000 1 166 41 41 GLY H H 8.107 0.000 1 167 41 41 GLY HA2 H 3.926 0.000 1 168 41 41 GLY HA3 H 3.926 0.000 1 169 41 41 GLY C C 173.983 0.005 1 170 41 41 GLY N N 112.302 0.000 1 171 42 42 SER H H 8.326 0.001 1 172 42 42 SER HA H 4.441 0.002 1 173 42 42 SER C C 174.834 0.002 1 174 42 42 SER CA C 58.284 0.000 1 175 42 42 SER N N 115.775 0.000 1 176 43 43 LYS H H 8.562 0.000 1 177 43 43 LYS HA H 4.418 0.005 1 178 43 43 LYS C C 176.939 0.004 1 179 43 43 LYS CA C 56.407 0.000 1 180 43 43 LYS N N 123.609 0.000 1 181 44 44 THR H H 8.257 0.002 1 182 44 44 THR HA H 4.311 0.000 1 183 44 44 THR C C 174.637 0.005 1 184 44 44 THR N N 115.720 0.000 1 185 45 45 LYS H H 8.512 0.001 1 186 45 45 LYS HA H 4.291 0.000 1 187 45 45 LYS C C 176.594 0.001 1 188 45 45 LYS N N 123.998 0.000 1 189 46 46 GLU H H 8.538 0.003 1 190 46 46 GLU HA H 4.255 0.000 1 191 46 46 GLU C C 177.007 0.004 1 192 46 46 GLU N N 122.380 0.000 1 193 47 47 GLY H H 8.516 0.001 1 194 47 47 GLY HA2 H 3.903 0.000 1 195 47 47 GLY HA3 H 3.903 0.000 1 196 47 47 GLY C C 173.891 0.020 1 197 47 47 GLY N N 110.362 0.000 1 198 48 48 VAL H H 7.997 0.001 1 199 48 48 VAL HA H 4.082 0.000 1 200 48 48 VAL C C 176.123 0.000 1 201 48 48 VAL N N 120.035 0.000 1 202 49 49 VAL H H 8.378 0.001 1 203 49 49 VAL HA H 4.057 0.000 1 204 49 49 VAL C C 175.982 0.014 1 205 49 49 VAL N N 125.272 0.000 1 206 50 50 HIS H H 8.710 0.002 1 207 50 50 HIS HA H 4.698 0.009 1 208 50 50 HIS C C 175.221 0.006 1 209 50 50 HIS CA C 55.426 0.000 1 210 50 50 HIS N N 124.119 0.000 1 211 51 51 GLY H H 8.537 0.002 1 212 51 51 GLY HA2 H 3.984 0.000 1 213 51 51 GLY HA3 H 3.984 0.000 1 214 51 51 GLY C C 173.791 0.001 1 215 51 51 GLY N N 110.769 0.000 1 216 52 52 VAL H H 8.157 0.000 1 217 52 52 VAL HA H 4.142 0.004 1 218 52 52 VAL C C 176.002 0.001 1 219 52 52 VAL CA C 61.949 0.000 1 220 52 52 VAL N N 119.736 0.000 1 221 53 53 ALA H H 8.579 0.001 1 222 53 53 ALA HA H 4.404 0.002 1 223 53 53 ALA C C 177.898 0.003 1 224 53 53 ALA CA C 52.383 0.000 1 225 53 53 ALA N N 128.466 0.000 1 226 54 54 THR H H 8.317 0.000 1 227 54 54 THR HA H 4.309 0.000 1 228 54 54 THR C C 174.589 0.001 1 229 54 54 THR N N 115.146 0.000 1 230 55 55 VAL H H 8.338 0.002 1 231 55 55 VAL HA H 4.077 0.000 1 232 55 55 VAL C C 175.925 0.003 1 233 55 55 VAL N N 123.356 0.000 1 234 56 56 ALA H H 8.509 0.000 1 235 56 56 ALA HA H 4.281 0.000 1 236 56 56 ALA C C 177.853 0.001 1 237 56 56 ALA N N 128.370 0.000 1 238 57 57 GLU H H 8.456 0.000 1 239 57 57 GLU C C 176.767 0.000 1 240 57 57 GLU N N 121.088 0.000 1 241 58 58 LYS H H 8.521 0.001 1 242 58 58 LYS HA H 4.355 0.000 1 243 58 58 LYS C C 177.045 0.001 1 244 58 58 LYS N N 123.074 0.000 1 245 59 59 THR H H 8.301 0.001 1 246 59 59 THR HA H 4.273 0.000 1 247 59 59 THR C C 174.691 0.003 1 248 59 59 THR N N 116.260 0.000 1 249 60 60 LYS H H 8.474 0.000 1 250 60 60 LYS HA H 4.283 0.000 1 251 60 60 LYS C C 176.795 0.007 1 252 60 60 LYS N N 123.884 0.000 1 253 61 61 GLU H H 8.516 0.001 1 254 61 61 GLU C C 176.591 0.000 1 255 61 61 GLU N N 122.377 0.000 1 256 62 62 GLN H H 8.523 0.000 1 257 62 62 GLN HA H 4.342 0.000 1 258 62 62 GLN C C 176.031 0.008 1 259 62 62 GLN N N 122.375 0.000 1 260 63 63 VAL H H 8.367 0.000 1 261 63 63 VAL HA H 4.186 0.002 1 262 63 63 VAL C C 176.416 0.006 1 263 63 63 VAL CA C 62.314 0.000 1 264 63 63 VAL N N 122.179 0.000 1 265 64 64 THR H H 8.388 0.001 1 266 64 64 THR HA H 4.363 0.000 1 267 64 64 THR C C 174.093 0.001 1 268 64 64 THR N N 118.405 0.000 1 269 65 65 ASN H H 8.601 0.002 1 270 65 65 ASN HA H 4.782 0.000 1 271 65 65 ASN C C 175.316 0.000 1 272 65 65 ASN CA C 53.052 0.000 1 273 65 65 ASN N N 121.938 0.000 1 274 66 66 VAL H H 8.327 0.001 1 275 66 66 VAL HA H 4.117 0.001 1 276 66 66 VAL C C 176.942 0.000 1 277 66 66 VAL CA C 62.628 0.000 1 278 66 66 VAL N N 120.921 0.000 1 279 67 67 GLY H H 8.637 0.001 1 280 67 67 GLY HA2 H 3.967 0.000 1 281 67 67 GLY HA3 H 3.967 0.000 1 282 67 67 GLY C C 174.716 0.003 1 283 67 67 GLY N N 112.795 0.000 1 284 68 68 GLY H H 8.304 0.001 1 285 68 68 GLY HA2 H 3.941 0.000 1 286 68 68 GLY HA3 H 3.941 0.000 1 287 68 68 GLY C C 173.774 0.002 1 288 68 68 GLY N N 108.927 0.000 1 289 69 69 ALA H H 8.239 0.001 1 290 69 69 ALA HA H 4.343 0.002 1 291 69 69 ALA C C 177.724 0.001 1 292 69 69 ALA CA C 52.339 0.000 1 293 69 69 ALA N N 123.864 0.000 1 294 70 70 VAL H H 8.305 0.001 1 295 70 70 VAL HA H 4.090 0.000 1 296 70 70 VAL C C 176.408 0.005 1 297 70 70 VAL N N 120.784 0.000 1 298 71 71 VAL H H 8.487 0.004 1 299 71 71 VAL HA H 4.217 0.001 1 300 71 71 VAL C C 176.351 0.004 1 301 71 71 VAL CA C 62.092 0.000 1 302 71 71 VAL N N 125.795 0.000 1 303 72 72 THR H H 8.398 0.001 1 304 72 72 THR HA H 4.358 0.000 1 305 72 72 THR C C 174.953 0.003 1 306 72 72 THR N N 118.979 0.000 1 307 73 73 GLY H H 8.518 0.001 1 308 73 73 GLY HA2 H 3.987 0.000 1 309 73 73 GLY HA3 H 3.987 0.000 1 310 73 73 GLY C C 174.044 0.005 1 311 73 73 GLY N N 111.512 0.000 1 312 74 74 VAL H H 8.163 0.002 1 313 74 74 VAL HA H 4.185 0.003 1 314 74 74 VAL C C 176.627 0.000 1 315 74 74 VAL CA C 62.314 0.000 1 316 74 74 VAL N N 119.729 0.000 1 317 75 75 THR H H 8.388 0.002 1 318 75 75 THR HA H 4.304 0.000 1 319 75 75 THR C C 174.114 0.003 1 320 75 75 THR N N 119.291 0.000 1 321 76 76 ALA H H 8.460 0.002 1 322 76 76 ALA HA H 4.338 0.003 1 323 76 76 ALA C C 177.628 0.003 1 324 76 76 ALA CA C 52.442 0.000 1 325 76 76 ALA N N 127.628 0.000 1 326 77 77 VAL H H 8.239 0.001 1 327 77 77 VAL HA H 4.047 0.000 1 328 77 77 VAL C C 176.077 0.004 1 329 77 77 VAL N N 120.366 0.000 1 330 78 78 ALA H H 8.495 0.000 1 331 78 78 ALA HA H 4.286 0.000 1 332 78 78 ALA C C 177.700 0.001 1 333 78 78 ALA N N 128.431 0.000 1 334 79 79 GLN H H 8.482 0.000 1 335 79 79 GLN HA H 4.285 0.000 1 336 79 79 GLN C C 176.013 0.001 1 337 79 79 GLN N N 120.557 0.000 1 338 80 80 LYS H H 8.519 0.001 1 339 80 80 LYS HA H 4.366 0.000 1 340 80 80 LYS C C 176.750 0.004 1 341 80 80 LYS N N 123.501 0.000 1 342 81 81 THR H H 8.380 0.001 1 343 81 81 THR HA H 4.339 0.000 1 344 81 81 THR C C 174.481 0.009 1 345 81 81 THR N N 117.228 0.000 1 346 82 82 VAL H H 8.392 0.001 1 347 82 82 VAL HA H 4.115 0.000 1 348 82 82 VAL C C 176.221 0.003 1 349 82 82 VAL N N 123.330 0.000 1 350 83 83 GLU H H 8.658 0.002 1 351 83 83 GLU HA H 4.256 0.000 1 352 83 83 GLU C C 177.091 0.001 1 353 83 83 GLU N N 125.578 0.000 1 354 84 84 GLY H H 8.602 0.002 1 355 84 84 GLY HA2 H 3.951 0.000 1 356 84 84 GLY HA3 H 3.951 0.000 1 357 84 84 GLY C C 174.198 0.002 1 358 84 84 GLY N N 110.886 0.000 1 359 85 85 ALA H H 8.337 0.000 1 360 85 85 ALA HA H 4.301 0.000 1 361 85 85 ALA C C 178.575 0.000 1 362 85 85 ALA N N 124.037 0.000 1 363 86 86 GLY H H 8.575 0.002 1 364 86 86 GLY HA2 H 3.965 0.000 1 365 86 86 GLY HA3 H 3.965 0.000 1 366 86 86 GLY C C 174.343 0.003 1 367 86 86 GLY N N 108.332 0.000 1 368 87 87 SER H H 8.222 0.001 1 369 87 87 SER HA H 4.460 0.003 1 370 87 87 SER C C 174.755 0.006 1 371 87 87 SER CA C 58.327 0.000 1 372 87 87 SER N N 115.816 0.000 1 373 88 88 ILE H H 8.274 0.000 1 374 88 88 ILE HA H 4.165 0.002 1 375 88 88 ILE C C 176.337 0.004 1 376 88 88 ILE CA C 61.250 0.000 1 377 88 88 ILE N N 122.939 0.000 1 378 89 89 ALA H H 8.432 0.001 1 379 89 89 ALA HA H 4.247 0.000 1 380 89 89 ALA C C 177.625 0.002 1 381 89 89 ALA N N 128.287 0.000 1 382 90 90 ALA H H 8.299 0.000 1 383 90 90 ALA HA H 4.253 0.000 1 384 90 90 ALA C C 177.793 0.002 1 385 90 90 ALA N N 123.531 0.000 1 386 91 91 ALA H H 8.377 0.000 1 387 91 91 ALA HA H 4.353 0.002 1 388 91 91 ALA C C 178.207 0.002 1 389 91 91 ALA CA C 52.603 0.000 1 390 91 91 ALA N N 123.634 0.000 1 391 92 92 THR H H 8.182 0.000 1 392 92 92 THR HA H 4.296 0.000 1 393 92 92 THR C C 175.218 0.002 1 394 92 92 THR N N 112.894 0.000 1 395 93 93 GLY H H 8.383 0.000 1 396 93 93 GLY HA2 H 3.907 0.000 1 397 93 93 GLY HA3 H 3.907 0.000 1 398 93 93 GLY C C 173.649 0.005 1 399 93 93 GLY N N 110.847 0.000 1 400 94 94 PHE H H 8.163 0.001 1 401 94 94 PHE HA H 4.604 0.002 1 402 94 94 PHE C C 175.536 0.002 1 403 94 94 PHE CA C 57.857 0.000 1 404 94 94 PHE N N 120.466 0.000 1 405 95 95 VAL H H 8.133 0.000 1 406 95 95 VAL HA H 3.999 0.000 1 407 95 95 VAL C C 175.427 0.009 1 408 95 95 VAL N N 124.117 0.000 1 409 96 96 LYS H H 8.483 0.001 1 410 96 96 LYS HA H 4.212 0.000 1 411 96 96 LYS C C 176.526 0.003 1 412 96 96 LYS N N 126.681 0.000 1 413 97 97 LYS H H 8.559 0.000 1 414 97 97 LYS HA H 4.288 0.000 1 415 97 97 LYS C C 176.416 0.003 1 416 97 97 LYS N N 124.034 0.000 1 417 98 98 ASP H H 8.483 0.001 1 418 98 98 ASP HA H 4.563 0.001 1 419 98 98 ASP C C 176.261 0.001 1 420 98 98 ASP CA C 54.322 0.000 1 421 98 98 ASP N N 121.391 0.000 1 422 99 99 GLN H H 8.424 0.000 1 423 99 99 GLN HA H 4.314 0.000 1 424 99 99 GLN C C 176.092 0.007 1 425 99 99 GLN N N 120.352 0.000 1 426 100 100 LEU H H 8.380 0.000 1 427 100 100 LEU HA H 4.332 0.005 1 428 100 100 LEU C C 178.052 0.008 1 429 100 100 LEU CA C 55.329 0.000 1 430 100 100 LEU N N 122.991 0.000 1 431 101 101 GLY H H 8.558 0.000 1 432 101 101 GLY HA2 H 3.939 0.000 1 433 101 101 GLY HA3 H 3.939 0.000 1 434 101 101 GLY C C 174.125 0.003 1 435 101 101 GLY N N 109.996 0.000 1 436 102 102 LYS H H 8.289 0.002 1 437 102 102 LYS HA H 4.306 0.000 1 438 102 102 LYS C C 176.525 0.003 1 439 102 102 LYS N N 120.877 0.000 1 440 103 103 ASN H H 8.702 0.001 1 441 103 103 ASN HA H 4.685 0.003 1 442 103 103 ASN C C 175.370 0.005 1 443 103 103 ASN CA C 53.275 0.000 1 444 103 103 ASN N N 120.123 0.000 1 445 104 104 GLU H H 8.555 0.003 1 446 104 104 GLU HA H 4.295 0.000 1 447 104 104 GLU C C 176.603 0.003 1 448 104 104 GLU N N 121.542 0.000 1 449 105 105 GLU H H 8.538 0.001 1 450 105 105 GLU C C 177.093 0.000 1 451 105 105 GLU N N 121.986 0.000 1 452 106 106 GLY H H 8.511 0.001 1 453 106 106 GLY HA2 H 3.928 0.000 1 454 106 106 GLY HA3 H 3.928 0.000 1 455 106 106 GLY C C 173.477 0.004 1 456 106 106 GLY N N 110.122 0.000 1 457 107 107 ALA H H 8.197 0.000 1 458 107 107 ALA N N 125.046 0.000 1 459 108 108 PRO HA H 4.428 0.006 1 460 108 108 PRO C C 177.091 0.006 1 461 108 108 PRO CA C 62.983 0.000 1 462 109 109 GLN H H 8.675 0.001 1 463 109 109 GLN HA H 4.298 0.000 1 464 109 109 GLN C C 176.036 0.002 1 465 109 109 GLN N N 121.400 0.000 1 466 110 110 GLU H H 8.611 0.000 1 467 110 110 GLU HA H 4.287 0.000 1 468 110 110 GLU C C 176.797 0.003 1 469 110 110 GLU N N 122.736 0.000 1 470 111 111 GLY H H 8.515 0.001 1 471 111 111 GLY HA2 H 3.937 0.000 1 472 111 111 GLY HA3 H 3.937 0.000 1 473 111 111 GLY C C 173.794 0.001 1 474 111 111 GLY N N 110.168 0.000 1 475 112 112 ILE H H 8.082 0.001 1 476 112 112 ILE HA H 4.169 0.001 1 477 112 112 ILE C C 176.337 0.002 1 478 112 112 ILE CA C 60.847 0.000 1 479 112 112 ILE N N 120.339 0.000 1 480 113 113 LEU H H 8.497 0.003 1 481 113 113 LEU HA H 4.388 0.000 1 482 113 113 LEU C C 177.202 0.001 1 483 113 113 LEU CA C 54.956 0.000 1 484 113 113 LEU N N 127.362 0.000 1 485 114 114 GLU H H 8.500 0.001 1 486 114 114 GLU HA H 4.247 0.000 1 487 114 114 GLU C C 175.934 0.001 1 488 114 114 GLU N N 122.348 0.000 1 489 115 115 ASP H H 8.445 0.001 1 490 115 115 ASP HA H 4.566 0.000 1 491 115 115 ASP C C 175.858 0.000 1 492 115 115 ASP CA C 54.245 0.000 1 493 115 115 ASP N N 121.652 0.000 1 494 116 116 MET H H 8.350 0.001 1 495 116 116 MET N N 122.191 0.000 1 496 117 117 PRO HA H 4.453 0.001 1 497 117 117 PRO C C 176.753 0.002 1 498 117 117 PRO CA C 62.785 0.000 1 499 118 118 VAL H H 8.398 0.000 1 500 118 118 VAL HA H 4.057 0.000 1 501 118 118 VAL C C 175.837 0.005 1 502 118 118 VAL N N 121.080 0.000 1 503 119 119 ASP H H 8.619 0.003 1 504 119 119 ASP N N 126.260 0.000 1 505 120 120 PRO HA H 4.335 0.004 1 506 120 120 PRO C C 176.933 0.018 1 507 120 120 PRO CA C 63.393 0.000 1 508 121 121 ASP H H 8.454 0.001 1 509 121 121 ASP HA H 4.595 0.001 1 510 121 121 ASP C C 176.197 0.006 1 511 121 121 ASP CA C 54.433 0.000 1 512 121 121 ASP N N 119.477 0.000 1 513 122 122 ASN H H 8.187 0.001 1 514 122 122 ASN HA H 4.689 0.002 1 515 122 122 ASN C C 175.418 0.019 1 516 122 122 ASN CA C 53.340 0.000 1 517 122 122 ASN N N 119.293 0.000 1 518 123 123 GLU H H 8.452 0.003 1 519 123 123 GLU HA H 4.203 0.000 1 520 123 123 GLU C C 176.114 0.002 1 521 123 123 GLU N N 121.886 0.000 1 522 124 124 ALA H H 8.309 0.001 1 523 124 124 ALA HA H 4.286 0.000 1 524 124 124 ALA C C 177.257 0.000 1 525 124 124 ALA N N 124.606 0.000 1 526 125 125 TYR H H 8.117 0.001 1 527 125 125 TYR HA H 4.515 0.005 1 528 125 125 TYR C C 175.382 0.004 1 529 125 125 TYR CA C 57.717 0.000 1 530 125 125 TYR N N 120.223 0.000 1 531 126 126 GLU H H 8.205 0.000 1 532 126 126 GLU HA H 4.245 0.000 1 533 126 126 GLU C C 175.431 0.004 1 534 126 126 GLU CA C 55.503 0.000 1 535 126 126 GLU N N 124.142 0.000 1 536 127 127 MET H H 8.506 0.002 1 537 127 127 MET N N 124.135 0.000 1 538 128 128 PRO HA H 4.429 0.006 1 539 128 128 PRO C C 176.928 0.007 1 540 128 128 PRO CA C 62.983 0.000 1 541 129 129 SER H H 8.576 0.001 1 542 129 129 SER HA H 4.412 0.003 1 543 129 129 SER C C 174.850 0.003 1 544 129 129 SER CA C 58.220 0.000 1 545 129 129 SER N N 116.947 0.000 1 546 130 130 GLU H H 8.660 0.001 1 547 130 130 GLU HA H 4.320 0.000 1 548 130 130 GLU C C 176.507 0.023 1 549 130 130 GLU N N 123.395 0.000 1 550 131 131 GLU H H 8.511 0.001 1 551 131 131 GLU HA H 4.242 0.000 1 552 131 131 GLU C C 177.013 0.002 1 553 131 131 GLU N N 121.974 0.000 1 554 132 132 GLY H H 8.492 0.001 1 555 132 132 GLY HA2 H 3.895 0.000 1 556 132 132 GLY HA3 H 3.895 0.000 1 557 132 132 GLY C C 173.871 0.005 1 558 132 132 GLY N N 110.102 0.000 1 559 133 133 TYR H H 8.143 0.001 1 560 133 133 TYR HA H 4.502 0.001 1 561 133 133 TYR C C 175.789 0.001 1 562 133 133 TYR CA C 58.112 0.000 1 563 133 133 TYR N N 120.477 0.000 1 564 134 134 GLN H H 8.289 0.000 1 565 134 134 GLN HA H 4.247 0.002 1 566 134 134 GLN C C 174.868 0.000 1 567 134 134 GLN CA C 55.356 0.000 1 568 134 134 GLN N N 122.949 0.000 1 569 135 135 ASP H H 8.313 0.001 1 570 135 135 ASP HA H 4.528 0.003 1 571 135 135 ASP C C 175.549 0.008 1 572 135 135 ASP CA C 54.141 0.000 1 573 135 135 ASP N N 121.858 0.000 1 574 136 136 TYR H H 8.128 0.002 1 575 136 136 TYR HA H 4.553 0.003 1 576 136 136 TYR C C 175.142 0.002 1 577 136 136 TYR CA C 57.537 0.000 1 578 136 136 TYR N N 120.729 0.000 1 579 137 137 GLU H H 8.330 0.002 1 580 137 137 GLU N N 125.606 0.000 1 581 138 138 PRO HA H 4.343 0.003 1 582 138 138 PRO C C 176.916 0.000 1 583 138 138 PRO CA C 62.823 0.000 1 584 139 139 GLU H H 8.602 0.000 1 585 139 139 GLU HA H 4.208 0.000 1 586 139 139 GLU C C 175.462 0.004 1 587 139 139 GLU N N 121.762 0.000 1 588 140 140 ALA H H 8.089 0.001 1 589 140 140 ALA HA H 4.098 0.004 1 590 140 140 ALA C C 182.639 0.000 1 591 140 140 ALA CA C 53.794 0.000 1 592 140 140 ALA N N 131.105 0.000 1 stop_ save_ save_assigned_chem_shift_list_23 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D H(NCO)CA' '2D HA(CA)CO' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_6.55 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.082 0.003 1 2 1 1 MET C C 172.517 0.000 1 3 1 1 MET CA C 55.036 0.000 1 4 2 2 ASP HA H 4.704 0.007 1 5 2 2 ASP C C 175.879 0.009 1 6 2 2 ASP CA C 54.176 0.000 1 7 3 3 VAL H H 8.344 0.001 1 8 3 3 VAL HA H 4.020 0.000 1 9 3 3 VAL C C 175.960 0.002 1 10 3 3 VAL N N 120.666 0.000 1 11 4 4 PHE H H 8.428 0.001 1 12 4 4 PHE HA H 4.604 0.005 1 13 4 4 PHE C C 175.867 0.004 1 14 4 4 PHE CA C 57.875 0.000 1 15 4 4 PHE N N 123.867 0.000 1 16 5 5 MET H H 8.293 0.000 1 17 5 5 MET HA H 4.391 0.003 1 18 5 5 MET C C 175.968 0.005 1 19 5 5 MET CA C 55.229 0.000 1 20 5 5 MET N N 122.608 0.000 1 21 6 6 LYS H H 8.354 0.002 1 22 6 6 LYS HA H 4.200 0.002 1 23 6 6 LYS C C 177.202 0.004 1 24 6 6 LYS CA C 56.818 0.000 1 25 6 6 LYS N N 122.837 0.000 1 26 7 7 GLY H H 8.498 0.001 1 27 7 7 GLY HA2 H 3.942 0.000 1 28 7 7 GLY HA3 H 3.942 0.000 1 29 7 7 GLY C C 174.213 0.003 1 30 7 7 GLY N N 110.103 0.000 1 31 8 8 LEU H H 8.139 0.001 1 32 8 8 LEU HA H 4.387 0.006 1 33 8 8 LEU C C 177.723 0.008 1 34 8 8 LEU CA C 55.079 0.000 1 35 8 8 LEU N N 121.667 0.000 1 36 9 9 SER H H 8.400 0.001 1 37 9 9 SER HA H 4.418 0.005 1 38 9 9 SER C C 174.610 0.005 1 39 9 9 SER CA C 58.299 0.000 1 40 9 9 SER N N 116.885 0.000 1 41 10 10 LYS H H 8.453 0.000 1 42 10 10 LYS HA H 4.363 0.000 1 43 10 10 LYS C C 176.750 0.006 1 44 10 10 LYS N N 123.857 0.000 1 45 11 11 ALA H H 8.383 0.001 1 46 11 11 ALA HA H 4.247 0.000 1 47 11 11 ALA C C 177.983 0.002 1 48 11 11 ALA N N 125.521 0.000 1 49 12 12 LYS H H 8.425 0.001 1 50 12 12 LYS HA H 4.266 0.000 1 51 12 12 LYS C C 176.776 0.005 1 52 12 12 LYS N N 121.107 0.000 1 53 13 13 GLU H H 8.506 0.000 1 54 13 13 GLU C C 177.106 0.000 1 55 13 13 GLU N N 122.381 0.000 1 56 14 14 GLY H H 8.541 0.001 1 57 14 14 GLY C C 174.082 0.000 1 58 14 14 GLY N N 110.244 0.000 1 59 15 15 VAL H H 8.055 0.000 1 60 15 15 VAL HA H 4.087 0.000 1 61 15 15 VAL C C 176.559 0.002 1 62 15 15 VAL N N 120.338 0.000 1 63 16 16 VAL H H 8.380 0.003 1 64 16 16 VAL C C 176.079 0.000 1 65 16 16 VAL N N 125.521 0.000 1 66 17 17 ALA H H 8.530 0.002 1 67 17 17 ALA HA H 4.260 0.000 1 68 17 17 ALA C C 177.752 0.001 1 69 17 17 ALA N N 128.649 0.000 1 70 18 18 ALA H H 8.398 0.002 1 71 18 18 ALA HA H 4.228 0.000 1 72 18 18 ALA C C 177.991 0.002 1 73 18 18 ALA N N 123.853 0.000 1 74 19 19 ALA H H 8.353 0.002 1 75 19 19 ALA HA H 4.265 0.000 1 76 19 19 ALA C C 178.277 0.010 1 77 19 19 ALA N N 123.312 0.000 1 78 20 20 GLU H H 8.405 0.000 1 79 20 20 GLU C C 177.012 0.000 1 80 20 20 GLU N N 120.293 0.000 1 81 21 21 LYS H H 8.415 0.001 1 82 21 21 LYS HA H 4.323 0.000 1 83 21 21 LYS C C 177.245 0.001 1 84 21 21 LYS N N 122.492 0.000 1 85 22 22 THR H H 8.216 0.002 1 86 22 22 THR HA H 4.272 0.000 1 87 22 22 THR C C 174.760 0.005 1 88 22 22 THR N N 115.545 0.000 1 89 23 23 LYS H H 8.427 0.002 1 90 23 23 LYS HA H 4.277 0.000 1 91 23 23 LYS C C 176.779 0.003 1 92 23 23 LYS N N 123.937 0.000 1 93 24 24 GLN H H 8.510 0.000 1 94 24 24 GLN HA H 4.290 0.000 1 95 24 24 GLN C C 176.683 0.004 1 96 24 24 GLN N N 122.335 0.000 1 97 25 25 GLY H H 8.557 0.000 1 98 25 25 GLY HA2 H 3.978 0.000 1 99 25 25 GLY HA3 H 3.978 0.000 1 100 25 25 GLY C C 174.330 0.003 1 101 25 25 GLY N N 110.709 0.000 1 102 26 26 VAL H H 8.095 0.004 1 103 26 26 VAL HA H 4.068 0.000 1 104 26 26 VAL C C 176.481 0.001 1 105 26 26 VAL N N 119.989 0.000 1 106 27 27 ALA H H 8.502 0.001 1 107 27 27 ALA HA H 4.283 0.000 1 108 27 27 ALA C C 178.236 0.000 1 109 27 27 ALA N N 127.531 0.000 1 110 28 28 GLU H H 8.480 0.001 1 111 28 28 GLU HA H 4.195 0.000 1 112 28 28 GLU C C 176.757 0.007 1 113 28 28 GLU N N 120.733 0.000 1 114 29 29 ALA H H 8.377 0.001 1 115 29 29 ALA HA H 4.262 0.000 1 116 29 29 ALA C C 177.836 0.003 1 117 29 29 ALA N N 125.062 0.000 1 118 30 30 ALA H H 8.311 0.000 1 119 30 30 ALA HA H 4.287 0.000 1 120 30 30 ALA C C 178.553 0.000 1 121 30 30 ALA N N 123.140 0.000 1 122 31 31 GLY H H 8.386 0.001 1 123 31 31 GLY HA2 H 3.925 0.000 1 124 31 31 GLY HA3 H 3.925 0.000 1 125 31 31 GLY C C 174.250 0.009 1 126 31 31 GLY N N 107.879 0.000 1 127 32 32 LYS H H 8.180 0.000 1 128 32 32 LYS HA H 4.425 0.002 1 129 32 32 LYS C C 177.084 0.000 1 130 32 32 LYS CA C 56.229 0.000 1 131 32 32 LYS N N 120.809 0.000 1 132 33 33 THR H H 8.310 0.001 1 133 33 33 THR HA H 4.337 0.000 1 134 33 33 THR C C 174.729 0.001 1 135 33 33 THR N N 115.788 0.000 1 136 34 34 LYS H H 8.557 0.000 1 137 34 34 LYS C C 176.598 0.000 1 138 34 34 LYS N N 124.017 0.000 1 139 35 35 GLU H H 8.538 0.003 1 140 35 35 GLU HA H 4.256 0.000 1 141 35 35 GLU C C 177.007 0.002 1 142 35 35 GLU N N 122.230 0.000 1 143 36 36 GLY H H 8.514 0.002 1 144 36 36 GLY HA2 H 3.955 0.000 1 145 36 36 GLY HA3 H 3.955 0.000 1 146 36 36 GLY C C 174.067 0.006 1 147 36 36 GLY N N 110.364 0.000 1 148 37 37 VAL H H 7.986 0.001 1 149 37 37 VAL HA H 4.058 0.000 1 150 37 37 VAL C C 176.005 0.016 1 151 37 37 VAL N N 119.736 0.000 1 152 38 38 LEU H H 8.367 0.001 1 153 38 38 LEU HA H 4.347 0.001 1 154 38 38 LEU C C 176.721 0.000 1 155 38 38 LEU CA C 54.925 0.000 1 156 38 38 LEU N N 126.028 0.000 1 157 39 39 TYR H H 8.358 0.001 1 158 39 39 TYR HA H 4.590 0.007 1 159 39 39 TYR C C 175.623 0.011 1 160 39 39 TYR CA C 57.877 0.000 1 161 39 39 TYR N N 122.685 0.000 1 162 40 40 VAL H H 8.154 0.000 1 163 40 40 VAL HA H 4.050 0.000 1 164 40 40 VAL C C 176.180 0.006 1 165 40 40 VAL N N 123.662 0.000 1 166 41 41 GLY H H 8.105 0.004 1 167 41 41 GLY HA2 H 3.931 0.000 1 168 41 41 GLY HA3 H 3.931 0.000 1 169 41 41 GLY C C 173.990 0.003 1 170 41 41 GLY N N 112.283 0.000 1 171 42 42 SER H H 8.327 0.002 1 172 42 42 SER HA H 4.443 0.000 1 173 42 42 SER C C 174.833 0.000 1 174 42 42 SER CA C 58.284 0.000 1 175 42 42 SER N N 115.729 0.000 1 176 43 43 LYS H H 8.561 0.001 1 177 43 43 LYS HA H 4.426 0.002 1 178 43 43 LYS C C 176.940 0.001 1 179 43 43 LYS CA C 56.368 0.000 1 180 43 43 LYS N N 123.611 0.000 1 181 44 44 THR H H 8.257 0.002 1 182 44 44 THR HA H 4.311 0.000 1 183 44 44 THR C C 174.637 0.009 1 184 44 44 THR N N 115.725 0.000 1 185 45 45 LYS H H 8.514 0.000 1 186 45 45 LYS HA H 4.292 0.000 1 187 45 45 LYS C C 176.590 0.003 1 188 45 45 LYS N N 124.031 0.000 1 189 46 46 GLU H H 8.538 0.003 1 190 46 46 GLU HA H 4.255 0.000 1 191 46 46 GLU C C 177.010 0.001 1 192 46 46 GLU N N 122.380 0.000 1 193 47 47 GLY H H 8.515 0.001 1 194 47 47 GLY HA2 H 3.906 0.000 1 195 47 47 GLY HA3 H 3.906 0.000 1 196 47 47 GLY C C 173.887 0.022 1 197 47 47 GLY N N 110.347 0.000 1 198 48 48 VAL H H 7.995 0.000 1 199 48 48 VAL HA H 4.072 0.000 1 200 48 48 VAL C C 176.089 0.005 1 201 48 48 VAL N N 120.059 0.000 1 202 49 49 VAL H H 8.383 0.003 1 203 49 49 VAL HA H 4.058 0.000 1 204 49 49 VAL C C 175.970 0.019 1 205 49 49 VAL N N 125.309 0.000 1 206 50 50 HIS H H 8.675 0.001 1 207 50 50 HIS HA H 4.688 0.009 1 208 50 50 HIS C C 175.378 0.003 1 209 50 50 HIS CA C 55.776 0.000 1 210 50 50 HIS N N 124.349 0.000 1 211 51 51 GLY H H 8.529 0.001 1 212 51 51 GLY HA2 H 3.975 0.000 1 213 51 51 GLY HA3 H 3.975 0.000 1 214 51 51 GLY C C 173.796 0.010 1 215 51 51 GLY N N 110.782 0.000 1 216 52 52 VAL H H 8.145 0.000 1 217 52 52 VAL HA H 4.143 0.005 1 218 52 52 VAL C C 176.002 0.001 1 219 52 52 VAL CA C 61.966 0.000 1 220 52 52 VAL N N 119.749 0.000 1 221 53 53 ALA H H 8.579 0.001 1 222 53 53 ALA HA H 4.403 0.001 1 223 53 53 ALA C C 177.895 0.004 1 224 53 53 ALA CA C 52.351 0.000 1 225 53 53 ALA N N 128.442 0.000 1 226 54 54 THR H H 8.314 0.004 1 227 54 54 THR HA H 4.313 0.000 1 228 54 54 THR C C 174.592 0.002 1 229 54 54 THR N N 115.151 0.000 1 230 55 55 VAL H H 8.335 0.004 1 231 55 55 VAL HA H 4.072 0.000 1 232 55 55 VAL C C 175.930 0.012 1 233 55 55 VAL N N 123.358 0.000 1 234 56 56 ALA H H 8.508 0.001 1 235 56 56 ALA HA H 4.281 0.000 1 236 56 56 ALA C C 177.851 0.000 1 237 56 56 ALA N N 128.370 0.000 1 238 57 57 GLU H H 8.454 0.001 1 239 57 57 GLU C C 176.767 0.000 1 240 57 57 GLU N N 121.101 0.000 1 241 58 58 LYS H H 8.521 0.001 1 242 58 58 LYS HA H 4.357 0.000 1 243 58 58 LYS C C 177.042 0.005 1 244 58 58 LYS N N 123.074 0.000 1 245 59 59 THR H H 8.299 0.002 1 246 59 59 THR HA H 4.277 0.000 1 247 59 59 THR C C 174.692 0.004 1 248 59 59 THR N N 116.242 0.000 1 249 60 60 LYS H H 8.474 0.000 1 250 60 60 LYS HA H 4.283 0.000 1 251 60 60 LYS C C 176.795 0.007 1 252 60 60 LYS N N 123.884 0.000 1 253 61 61 GLU H H 8.516 0.001 1 254 61 61 GLU C C 176.591 0.000 1 255 61 61 GLU N N 122.377 0.000 1 256 62 62 GLN H H 8.523 0.000 1 257 62 62 GLN HA H 4.342 0.000 1 258 62 62 GLN C C 176.024 0.003 1 259 62 62 GLN N N 122.375 0.000 1 260 63 63 VAL H H 8.367 0.000 1 261 63 63 VAL HA H 4.190 0.003 1 262 63 63 VAL C C 176.419 0.002 1 263 63 63 VAL CA C 62.328 0.000 1 264 63 63 VAL N N 122.179 0.000 1 265 64 64 THR H H 8.386 0.002 1 266 64 64 THR HA H 4.360 0.000 1 267 64 64 THR C C 174.091 0.006 1 268 64 64 THR N N 118.360 0.000 1 269 65 65 ASN H H 8.598 0.002 1 270 65 65 ASN HA H 4.786 0.000 1 271 65 65 ASN C C 175.314 0.000 1 272 65 65 ASN CA C 53.085 0.000 1 273 65 65 ASN N N 121.971 0.000 1 274 66 66 VAL H H 8.326 0.002 1 275 66 66 VAL HA H 4.120 0.003 1 276 66 66 VAL C C 176.940 0.003 1 277 66 66 VAL CA C 62.641 0.000 1 278 66 66 VAL N N 120.921 0.000 1 279 67 67 GLY H H 8.636 0.001 1 280 67 67 GLY HA2 H 3.969 0.000 1 281 67 67 GLY HA3 H 3.969 0.000 1 282 67 67 GLY C C 174.715 0.005 1 283 67 67 GLY N N 112.785 0.000 1 284 68 68 GLY H H 8.306 0.002 1 285 68 68 GLY HA2 H 3.944 0.000 1 286 68 68 GLY HA3 H 3.944 0.000 1 287 68 68 GLY C C 173.776 0.000 1 288 68 68 GLY N N 108.921 0.000 1 289 69 69 ALA H H 8.239 0.001 1 290 69 69 ALA HA H 4.346 0.002 1 291 69 69 ALA C C 177.724 0.004 1 292 69 69 ALA CA C 52.339 0.000 1 293 69 69 ALA N N 123.871 0.000 1 294 70 70 VAL H H 8.305 0.002 1 295 70 70 VAL HA H 4.086 0.000 1 296 70 70 VAL C C 176.407 0.006 1 297 70 70 VAL N N 120.761 0.000 1 298 71 71 VAL H H 8.485 0.003 1 299 71 71 VAL HA H 4.218 0.004 1 300 71 71 VAL C C 176.356 0.000 1 301 71 71 VAL CA C 62.101 0.000 1 302 71 71 VAL N N 125.746 0.000 1 303 72 72 THR H H 8.396 0.001 1 304 72 72 THR HA H 4.363 0.000 1 305 72 72 THR C C 174.957 0.001 1 306 72 72 THR N N 118.949 0.000 1 307 73 73 GLY H H 8.515 0.001 1 308 73 73 GLY HA2 H 3.986 0.000 1 309 73 73 GLY HA3 H 3.986 0.000 1 310 73 73 GLY C C 174.052 0.002 1 311 73 73 GLY N N 111.511 0.000 1 312 74 74 VAL H H 8.163 0.002 1 313 74 74 VAL HA H 4.189 0.004 1 314 74 74 VAL C C 176.630 0.001 1 315 74 74 VAL CA C 62.328 0.000 1 316 74 74 VAL N N 119.716 0.000 1 317 75 75 THR H H 8.386 0.001 1 318 75 75 THR HA H 4.306 0.000 1 319 75 75 THR C C 174.117 0.004 1 320 75 75 THR N N 119.300 0.000 1 321 76 76 ALA H H 8.458 0.003 1 322 76 76 ALA HA H 4.341 0.000 1 323 76 76 ALA C C 177.627 0.002 1 324 76 76 ALA CA C 52.442 0.000 1 325 76 76 ALA N N 127.648 0.000 1 326 77 77 VAL H H 8.236 0.004 1 327 77 77 VAL HA H 4.047 0.000 1 328 77 77 VAL C C 176.085 0.004 1 329 77 77 VAL N N 120.374 0.000 1 330 78 78 ALA H H 8.494 0.002 1 331 78 78 ALA HA H 4.289 0.000 1 332 78 78 ALA C C 177.702 0.003 1 333 78 78 ALA N N 128.431 0.000 1 334 79 79 GLN H H 8.479 0.002 1 335 79 79 GLN HA H 4.285 0.000 1 336 79 79 GLN C C 176.013 0.001 1 337 79 79 GLN N N 120.557 0.000 1 338 80 80 LYS H H 8.519 0.001 1 339 80 80 LYS HA H 4.363 0.000 1 340 80 80 LYS C C 176.750 0.004 1 341 80 80 LYS N N 123.520 0.000 1 342 81 81 THR H H 8.380 0.002 1 343 81 81 THR HA H 4.340 0.000 1 344 81 81 THR C C 174.488 0.001 1 345 81 81 THR N N 117.201 0.000 1 346 82 82 VAL H H 8.392 0.002 1 347 82 82 VAL HA H 4.115 0.000 1 348 82 82 VAL C C 176.214 0.003 1 349 82 82 VAL N N 123.313 0.000 1 350 83 83 GLU H H 8.657 0.003 1 351 83 83 GLU HA H 4.258 0.000 1 352 83 83 GLU C C 177.094 0.000 1 353 83 83 GLU N N 125.569 0.000 1 354 84 84 GLY H H 8.599 0.001 1 355 84 84 GLY HA2 H 3.951 0.000 1 356 84 84 GLY HA3 H 3.951 0.000 1 357 84 84 GLY C C 174.197 0.006 1 358 84 84 GLY N N 110.884 0.000 1 359 85 85 ALA H H 8.337 0.001 1 360 85 85 ALA HA H 4.301 0.000 1 361 85 85 ALA C C 178.576 0.001 1 362 85 85 ALA N N 124.060 0.000 1 363 86 86 GLY H H 8.575 0.002 1 364 86 86 GLY HA2 H 3.967 0.000 1 365 86 86 GLY HA3 H 3.967 0.000 1 366 86 86 GLY C C 174.346 0.004 1 367 86 86 GLY N N 108.324 0.000 1 368 87 87 SER H H 8.221 0.000 1 369 87 87 SER HA H 4.463 0.000 1 370 87 87 SER C C 174.762 0.003 1 371 87 87 SER CA C 58.340 0.000 1 372 87 87 SER N N 115.787 0.000 1 373 88 88 ILE H H 8.273 0.001 1 374 88 88 ILE HA H 4.169 0.004 1 375 88 88 ILE C C 176.335 0.004 1 376 88 88 ILE CA C 61.256 0.000 1 377 88 88 ILE N N 122.939 0.000 1 378 89 89 ALA H H 8.431 0.003 1 379 89 89 ALA HA H 4.245 0.000 1 380 89 89 ALA C C 177.627 0.003 1 381 89 89 ALA N N 128.290 0.000 1 382 90 90 ALA H H 8.296 0.000 1 383 90 90 ALA HA H 4.251 0.000 1 384 90 90 ALA C C 177.787 0.004 1 385 90 90 ALA N N 123.509 0.000 1 386 91 91 ALA H H 8.374 0.000 1 387 91 91 ALA HA H 4.353 0.002 1 388 91 91 ALA C C 178.206 0.002 1 389 91 91 ALA CA C 52.603 0.000 1 390 91 91 ALA N N 123.602 0.000 1 391 92 92 THR H H 8.179 0.000 1 392 92 92 THR HA H 4.299 0.000 1 393 92 92 THR C C 175.213 0.005 1 394 92 92 THR N N 112.858 0.000 1 395 93 93 GLY H H 8.383 0.000 1 396 93 93 GLY HA2 H 3.908 0.000 1 397 93 93 GLY HA3 H 3.908 0.000 1 398 93 93 GLY C C 173.650 0.007 1 399 93 93 GLY N N 110.840 0.000 1 400 94 94 PHE H H 8.163 0.000 1 401 94 94 PHE HA H 4.608 0.001 1 402 94 94 PHE C C 175.548 0.010 1 403 94 94 PHE CA C 57.875 0.000 1 404 94 94 PHE N N 120.466 0.000 1 405 95 95 VAL H H 8.133 0.000 1 406 95 95 VAL HA H 4.002 0.000 1 407 95 95 VAL C C 175.432 0.004 1 408 95 95 VAL N N 124.097 0.000 1 409 96 96 LYS H H 8.482 0.002 1 410 96 96 LYS HA H 4.216 0.000 1 411 96 96 LYS C C 176.520 0.006 1 412 96 96 LYS N N 126.659 0.000 1 413 97 97 LYS H H 8.556 0.001 1 414 97 97 LYS HA H 4.288 0.000 1 415 97 97 LYS C C 176.416 0.007 1 416 97 97 LYS N N 124.017 0.000 1 417 98 98 ASP H H 8.482 0.000 1 418 98 98 ASP HA H 4.561 0.003 1 419 98 98 ASP C C 176.261 0.005 1 420 98 98 ASP CA C 54.381 0.000 1 421 98 98 ASP N N 121.406 0.000 1 422 99 99 GLN H H 8.424 0.000 1 423 99 99 GLN HA H 4.313 0.000 1 424 99 99 GLN C C 176.083 0.011 1 425 99 99 GLN N N 120.355 0.000 1 426 100 100 LEU H H 8.381 0.002 1 427 100 100 LEU HA H 4.339 0.002 1 428 100 100 LEU C C 178.060 0.004 1 429 100 100 LEU CA C 55.341 0.000 1 430 100 100 LEU N N 123.041 0.000 1 431 101 101 GLY H H 8.557 0.000 1 432 101 101 GLY HA2 H 3.939 0.000 1 433 101 101 GLY HA3 H 3.939 0.000 1 434 101 101 GLY C C 174.125 0.002 1 435 101 101 GLY N N 109.944 0.000 1 436 102 102 LYS H H 8.286 0.001 1 437 102 102 LYS HA H 4.306 0.000 1 438 102 102 LYS C C 176.526 0.003 1 439 102 102 LYS N N 120.851 0.000 1 440 103 103 ASN H H 8.700 0.001 1 441 103 103 ASN HA H 4.687 0.001 1 442 103 103 ASN C C 175.365 0.000 1 443 103 103 ASN CA C 53.275 0.000 1 444 103 103 ASN N N 120.131 0.000 1 445 104 104 GLU H H 8.553 0.002 1 446 104 104 GLU HA H 4.295 0.000 1 447 104 104 GLU C C 176.603 0.003 1 448 104 104 GLU N N 121.532 0.000 1 449 105 105 GLU H H 8.541 0.004 1 450 105 105 GLU C C 177.096 0.000 1 451 105 105 GLU N N 122.001 0.000 1 452 106 106 GLY H H 8.511 0.001 1 453 106 106 GLY HA2 H 3.925 0.000 1 454 106 106 GLY HA3 H 3.925 0.000 1 455 106 106 GLY C C 173.478 0.004 1 456 106 106 GLY N N 110.122 0.000 1 457 107 107 ALA H H 8.196 0.001 1 458 107 107 ALA N N 125.046 0.000 1 459 108 108 PRO HA H 4.432 0.011 1 460 108 108 PRO C C 177.091 0.007 1 461 108 108 PRO CA C 62.991 0.000 1 462 109 109 GLN H H 8.674 0.001 1 463 109 109 GLN HA H 4.299 0.000 1 464 109 109 GLN C C 176.037 0.004 1 465 109 109 GLN N N 121.391 0.000 1 466 110 110 GLU H H 8.609 0.001 1 467 110 110 GLU HA H 4.287 0.000 1 468 110 110 GLU C C 176.797 0.003 1 469 110 110 GLU N N 122.777 0.000 1 470 111 111 GLY H H 8.515 0.001 1 471 111 111 GLY HA2 H 3.944 0.000 1 472 111 111 GLY HA3 H 3.944 0.000 1 473 111 111 GLY C C 173.793 0.001 1 474 111 111 GLY N N 110.168 0.000 1 475 112 112 ILE H H 8.082 0.001 1 476 112 112 ILE HA H 4.172 0.003 1 477 112 112 ILE C C 176.335 0.002 1 478 112 112 ILE CA C 60.864 0.000 1 479 112 112 ILE N N 120.339 0.000 1 480 113 113 LEU H H 8.495 0.002 1 481 113 113 LEU HA H 4.390 0.003 1 482 113 113 LEU C C 177.202 0.004 1 483 113 113 LEU CA C 54.969 0.000 1 484 113 113 LEU N N 127.318 0.000 1 485 114 114 GLU H H 8.500 0.001 1 486 114 114 GLU HA H 4.254 0.000 1 487 114 114 GLU C C 175.934 0.001 1 488 114 114 GLU N N 122.348 0.000 1 489 115 115 ASP H H 8.446 0.000 1 490 115 115 ASP HA H 4.566 0.000 1 491 115 115 ASP C C 175.844 0.000 1 492 115 115 ASP CA C 54.303 0.000 1 493 115 115 ASP N N 121.644 0.000 1 494 116 116 MET H H 8.345 0.000 1 495 116 116 MET N N 122.191 0.000 1 496 117 117 PRO HA H 4.455 0.002 1 497 117 117 PRO C C 176.752 0.002 1 498 117 117 PRO CA C 62.830 0.000 1 499 118 118 VAL H H 8.398 0.000 1 500 118 118 VAL HA H 4.060 0.000 1 501 118 118 VAL C C 175.837 0.001 1 502 118 118 VAL N N 121.080 0.000 1 503 119 119 ASP H H 8.617 0.002 1 504 119 119 ASP N N 126.274 0.000 1 505 120 120 PRO HA H 4.339 0.005 1 506 120 120 PRO C C 176.933 0.022 1 507 120 120 PRO CA C 63.412 0.000 1 508 121 121 ASP H H 8.454 0.001 1 509 121 121 ASP HA H 4.601 0.001 1 510 121 121 ASP C C 176.207 0.005 1 511 121 121 ASP CA C 54.487 0.000 1 512 121 121 ASP N N 119.453 0.000 1 513 122 122 ASN H H 8.189 0.002 1 514 122 122 ASN HA H 4.687 0.000 1 515 122 122 ASN C C 175.437 0.000 1 516 122 122 ASN CA C 53.340 0.000 1 517 122 122 ASN N N 119.293 0.000 1 518 123 123 GLU H H 8.454 0.001 1 519 123 123 GLU HA H 4.206 0.000 1 520 123 123 GLU C C 176.114 0.004 1 521 123 123 GLU N N 121.918 0.000 1 522 124 124 ALA H H 8.308 0.001 1 523 124 124 ALA HA H 4.286 0.000 1 524 124 124 ALA C C 177.252 0.000 1 525 124 124 ALA N N 124.640 0.000 1 526 125 125 TYR H H 8.118 0.001 1 527 125 125 TYR HA H 4.522 0.003 1 528 125 125 TYR C C 175.376 0.002 1 529 125 125 TYR CA C 57.731 0.000 1 530 125 125 TYR N N 120.262 0.000 1 531 126 126 GLU H H 8.206 0.001 1 532 126 126 GLU HA H 4.245 0.010 1 533 126 126 GLU C C 175.435 0.000 1 534 126 126 GLU CA C 55.536 0.000 1 535 126 126 GLU N N 124.124 0.000 1 536 127 127 MET H H 8.504 0.001 1 537 127 127 MET N N 124.141 0.000 1 538 128 128 PRO HA H 4.434 0.009 1 539 128 128 PRO C C 176.930 0.009 1 540 128 128 PRO CA C 62.991 0.000 1 541 129 129 SER H H 8.577 0.002 1 542 129 129 SER HA H 4.412 0.002 1 543 129 129 SER C C 174.850 0.004 1 544 129 129 SER CA C 58.220 0.000 1 545 129 129 SER N N 117.009 0.000 1 546 130 130 GLU H H 8.661 0.000 1 547 130 130 GLU HA H 4.320 0.000 1 548 130 130 GLU C C 176.507 0.023 1 549 130 130 GLU N N 123.379 0.000 1 550 131 131 GLU H H 8.506 0.001 1 551 131 131 GLU HA H 4.244 0.000 1 552 131 131 GLU C C 177.012 0.004 1 553 131 131 GLU N N 121.923 0.000 1 554 132 132 GLY H H 8.492 0.001 1 555 132 132 GLY HA2 H 3.895 0.000 1 556 132 132 GLY HA3 H 3.895 0.000 1 557 132 132 GLY C C 173.870 0.005 1 558 132 132 GLY N N 110.102 0.000 1 559 133 133 TYR H H 8.143 0.001 1 560 133 133 TYR HA H 4.505 0.004 1 561 133 133 TYR C C 175.788 0.003 1 562 133 133 TYR CA C 58.115 0.000 1 563 133 133 TYR N N 120.477 0.000 1 564 134 134 GLN H H 8.289 0.000 1 565 134 134 GLN HA H 4.250 0.004 1 566 134 134 GLN C C 174.868 0.005 1 567 134 134 GLN CA C 55.351 0.000 1 568 134 134 GLN N N 122.949 0.000 1 569 135 135 ASP H H 8.311 0.002 1 570 135 135 ASP HA H 4.529 0.005 1 571 135 135 ASP C C 175.546 0.004 1 572 135 135 ASP CA C 54.174 0.000 1 573 135 135 ASP N N 121.854 0.000 1 574 136 136 TYR H H 8.125 0.001 1 575 136 136 TYR HA H 4.556 0.002 1 576 136 136 TYR C C 175.137 0.003 1 577 136 136 TYR CA C 57.532 0.000 1 578 136 136 TYR N N 120.684 0.000 1 579 137 137 GLU H H 8.334 0.000 1 580 137 137 GLU N N 125.590 0.000 1 581 138 138 PRO HA H 4.348 0.004 1 582 138 138 PRO C C 176.912 0.001 1 583 138 138 PRO CA C 62.829 0.000 1 584 139 139 GLU H H 8.599 0.001 1 585 139 139 GLU HA H 4.210 0.000 1 586 139 139 GLU C C 175.466 0.005 1 587 139 139 GLU N N 121.758 0.000 1 588 140 140 ALA H H 8.087 0.000 1 589 140 140 ALA HA H 4.103 0.005 1 590 140 140 ALA C C 182.642 0.000 1 591 140 140 ALA CA C 53.806 0.000 1 592 140 140 ALA N N 131.096 0.000 1 stop_ save_ save_assigned_chem_shift_list_24 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D H(NCO)CA' '2D HA(CA)CO' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_6.74 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.056 0.003 1 2 1 1 MET C C 172.798 0.000 1 3 1 1 MET CA C 55.070 0.000 1 4 2 2 ASP HA H 4.698 0.004 1 5 2 2 ASP C C 175.914 0.002 1 6 2 2 ASP CA C 54.209 0.052 1 7 3 3 VAL H H 8.340 0.001 1 8 3 3 VAL HA H 4.016 0.000 1 9 3 3 VAL C C 175.973 0.003 1 10 3 3 VAL CA C 62.582 0.000 1 11 3 3 VAL N N 120.662 0.000 1 12 4 4 PHE H H 8.430 0.001 1 13 4 4 PHE HA H 4.599 0.003 1 14 4 4 PHE C C 175.872 0.004 1 15 4 4 PHE CA C 57.940 0.061 1 16 4 4 PHE N N 123.808 0.000 1 17 5 5 MET H H 8.294 0.001 1 18 5 5 MET HA H 4.390 0.004 1 19 5 5 MET C C 175.979 0.005 1 20 5 5 MET CA C 55.276 0.047 1 21 5 5 MET N N 122.574 0.000 1 22 6 6 LYS H H 8.355 0.001 1 23 6 6 LYS HA H 4.199 0.003 1 24 6 6 LYS C C 177.204 0.002 1 25 6 6 LYS CA C 56.865 0.047 1 26 6 6 LYS N N 122.805 0.000 1 27 7 7 GLY H H 8.501 0.002 1 28 7 7 GLY HA2 H 3.938 0.000 1 29 7 7 GLY HA3 H 3.938 0.000 1 30 7 7 GLY C C 174.215 0.001 1 31 7 7 GLY CA C 45.264 0.000 1 32 7 7 GLY N N 110.103 0.000 1 33 8 8 LEU H H 8.141 0.001 1 34 8 8 LEU HA H 4.386 0.006 1 35 8 8 LEU C C 177.728 0.002 1 36 8 8 LEU CA C 55.116 0.037 1 37 8 8 LEU N N 121.662 0.000 1 38 9 9 SER H H 8.402 0.001 1 39 9 9 SER HA H 4.412 0.005 1 40 9 9 SER C C 174.612 0.001 1 41 9 9 SER CA C 58.353 0.062 1 42 9 9 SER N N 116.894 0.000 1 43 10 10 LYS H H 8.453 0.000 1 44 10 10 LYS HA H 4.363 0.000 1 45 10 10 LYS C C 176.755 0.002 1 46 10 10 LYS CA C 56.405 0.000 1 47 10 10 LYS N N 123.857 0.000 1 48 11 11 ALA H H 8.383 0.001 1 49 11 11 ALA HA H 4.247 0.000 1 50 11 11 ALA C C 177.984 0.002 1 51 11 11 ALA CA C 52.727 0.000 1 52 11 11 ALA N N 125.536 0.000 1 53 12 12 LYS H H 8.424 0.001 1 54 12 12 LYS HA H 4.266 0.000 1 55 12 12 LYS C C 176.778 0.005 1 56 12 12 LYS CA C 56.434 0.000 1 57 12 12 LYS N N 121.080 0.000 1 58 13 13 GLU H H 8.506 0.001 1 59 13 13 GLU C C 177.106 0.000 1 60 13 13 GLU CA C 56.770 0.000 1 61 13 13 GLU N N 122.381 0.000 1 62 14 14 GLY H H 8.543 0.001 1 63 14 14 GLY C C 174.078 0.000 1 64 14 14 GLY CA C 45.305 0.000 1 65 14 14 GLY N N 110.244 0.000 1 66 15 15 VAL H H 8.056 0.001 1 67 15 15 VAL HA H 4.082 0.000 1 68 15 15 VAL C C 176.561 0.003 1 69 15 15 VAL CA C 62.623 0.000 1 70 15 15 VAL N N 120.338 0.000 1 71 16 16 VAL H H 8.380 0.001 1 72 16 16 VAL C C 176.082 0.000 1 73 16 16 VAL CA C 62.546 0.000 1 74 16 16 VAL N N 125.536 0.000 1 75 17 17 ALA H H 8.533 0.001 1 76 17 17 ALA HA H 4.260 0.000 1 77 17 17 ALA C C 177.746 0.005 1 78 17 17 ALA CA C 52.629 0.000 1 79 17 17 ALA N N 128.659 0.000 1 80 18 18 ALA H H 8.397 0.002 1 81 18 18 ALA HA H 4.228 0.000 1 82 18 18 ALA C C 177.990 0.002 1 83 18 18 ALA CA C 52.766 0.000 1 84 18 18 ALA N N 123.853 0.000 1 85 19 19 ALA H H 8.357 0.001 1 86 19 19 ALA HA H 4.265 0.000 1 87 19 19 ALA C C 178.282 0.011 1 88 19 19 ALA CA C 52.847 0.000 1 89 19 19 ALA N N 123.309 0.000 1 90 20 20 GLU H H 8.406 0.000 1 91 20 20 GLU C C 177.010 0.000 1 92 20 20 GLU CA C 56.800 0.000 1 93 20 20 GLU N N 120.293 0.000 1 94 21 21 LYS H H 8.417 0.000 1 95 21 21 LYS HA H 4.320 0.000 1 96 21 21 LYS C C 177.247 0.002 1 97 21 21 LYS CA C 56.770 0.000 1 98 21 21 LYS N N 122.492 0.000 1 99 22 22 THR H H 8.218 0.001 1 100 22 22 THR HA H 4.269 0.000 1 101 22 22 THR C C 174.763 0.001 1 102 22 22 THR CA C 62.369 0.000 1 103 22 22 THR N N 115.564 0.000 1 104 23 23 LYS H H 8.430 0.001 1 105 23 23 LYS HA H 4.277 0.000 1 106 23 23 LYS C C 176.777 0.003 1 107 23 23 LYS CA C 56.806 0.000 1 108 23 23 LYS N N 123.937 0.000 1 109 24 24 GLN H H 8.509 0.002 1 110 24 24 GLN HA H 4.290 0.000 1 111 24 24 GLN C C 176.683 0.003 1 112 24 24 GLN CA C 56.308 0.000 1 113 24 24 GLN N N 122.335 0.000 1 114 25 25 GLY H H 8.558 0.001 1 115 25 25 GLY HA2 H 3.978 0.000 1 116 25 25 GLY HA3 H 3.978 0.000 1 117 25 25 GLY C C 174.330 0.002 1 118 25 25 GLY CA C 45.361 0.000 1 119 25 25 GLY N N 110.675 0.000 1 120 26 26 VAL H H 8.095 0.002 1 121 26 26 VAL HA H 4.063 0.000 1 122 26 26 VAL C C 176.482 0.003 1 123 26 26 VAL CA C 62.685 0.000 1 124 26 26 VAL N N 119.988 0.000 1 125 27 27 ALA H H 8.502 0.001 1 126 27 27 ALA HA H 4.283 0.000 1 127 27 27 ALA C C 178.240 0.003 1 128 27 27 ALA CA C 52.857 0.000 1 129 27 27 ALA N N 127.532 0.000 1 130 28 28 GLU H H 8.482 0.001 1 131 28 28 GLU HA H 4.195 0.000 1 132 28 28 GLU C C 176.755 0.007 1 133 28 28 GLU CA C 56.876 0.000 1 134 28 28 GLU N N 120.733 0.000 1 135 29 29 ALA H H 8.378 0.000 1 136 29 29 ALA HA H 4.262 0.000 1 137 29 29 ALA C C 177.838 0.001 1 138 29 29 ALA CA C 52.733 0.000 1 139 29 29 ALA N N 125.063 0.000 1 140 30 30 ALA H H 8.311 0.001 1 141 30 30 ALA HA H 4.287 0.000 1 142 30 30 ALA C C 178.554 0.001 1 143 30 30 ALA CA C 52.821 0.000 1 144 30 30 ALA N N 123.167 0.000 1 145 31 31 GLY H H 8.386 0.002 1 146 31 31 GLY HA2 H 3.925 0.000 1 147 31 31 GLY HA3 H 3.925 0.000 1 148 31 31 GLY C C 174.249 0.006 1 149 31 31 GLY CA C 45.328 0.000 1 150 31 31 GLY N N 107.884 0.000 1 151 32 32 LYS H H 8.178 0.002 1 152 32 32 LYS HA H 4.424 0.003 1 153 32 32 LYS C C 177.084 0.001 1 154 32 32 LYS CA C 56.234 0.005 1 155 32 32 LYS N N 120.819 0.000 1 156 33 33 THR H H 8.312 0.001 1 157 33 33 THR HA H 4.335 0.000 1 158 33 33 THR C C 174.728 0.001 1 159 33 33 THR CA C 61.990 0.000 1 160 33 33 THR N N 115.837 0.000 1 161 34 34 LYS H H 8.561 0.000 1 162 34 34 LYS C C 176.598 0.000 1 163 34 34 LYS CA C 56.565 0.000 1 164 34 34 LYS N N 124.030 0.000 1 165 35 35 GLU H H 8.535 0.003 1 166 35 35 GLU HA H 4.256 0.000 1 167 35 35 GLU C C 177.006 0.002 1 168 35 35 GLU CA C 56.521 0.000 1 169 35 35 GLU N N 122.230 0.000 1 170 36 36 GLY H H 8.515 0.001 1 171 36 36 GLY HA2 H 3.950 0.000 1 172 36 36 GLY HA3 H 3.950 0.000 1 173 36 36 GLY C C 174.062 0.008 1 174 36 36 GLY CA C 45.273 0.000 1 175 36 36 GLY N N 110.364 0.000 1 176 37 37 VAL H H 7.987 0.001 1 177 37 37 VAL HA H 4.057 0.000 1 178 37 37 VAL C C 176.017 0.002 1 179 37 37 VAL CA C 62.377 0.000 1 180 37 37 VAL N N 119.750 0.000 1 181 38 38 LEU H H 8.369 0.000 1 182 38 38 LEU HA H 4.344 0.000 1 183 38 38 LEU C C 176.719 0.001 1 184 38 38 LEU CA C 54.948 0.030 1 185 38 38 LEU N N 126.052 0.000 1 186 39 39 TYR H H 8.361 0.002 1 187 39 39 TYR HA H 4.580 0.002 1 188 39 39 TYR C C 175.626 0.005 1 189 39 39 TYR CA C 57.903 0.026 1 190 39 39 TYR N N 122.731 0.000 1 191 40 40 VAL H H 8.156 0.001 1 192 40 40 VAL HA H 4.050 0.000 1 193 40 40 VAL C C 176.173 0.009 1 194 40 40 VAL CA C 62.184 0.000 1 195 40 40 VAL N N 123.692 0.000 1 196 41 41 GLY H H 8.105 0.002 1 197 41 41 GLY HA2 H 3.931 0.000 1 198 41 41 GLY HA3 H 3.931 0.000 1 199 41 41 GLY C C 173.984 0.002 1 200 41 41 GLY CA C 45.145 0.000 1 201 41 41 GLY N N 112.314 0.000 1 202 42 42 SER H H 8.331 0.002 1 203 42 42 SER HA H 4.441 0.002 1 204 42 42 SER C C 174.825 0.006 1 205 42 42 SER CA C 58.332 0.048 1 206 42 42 SER N N 115.732 0.000 1 207 43 43 LYS H H 8.562 0.002 1 208 43 43 LYS HA H 4.429 0.001 1 209 43 43 LYS C C 176.935 0.006 1 210 43 43 LYS CA C 56.403 0.034 1 211 43 43 LYS N N 123.611 0.000 1 212 44 44 THR H H 8.261 0.001 1 213 44 44 THR HA H 4.311 0.000 1 214 44 44 THR C C 174.639 0.008 1 215 44 44 THR CA C 61.968 0.000 1 216 44 44 THR N N 115.742 0.000 1 217 45 45 LYS H H 8.519 0.002 1 218 45 45 LYS HA H 4.292 0.000 1 219 45 45 LYS C C 176.591 0.003 1 220 45 45 LYS CA C 56.488 0.000 1 221 45 45 LYS N N 124.005 0.000 1 222 46 46 GLU H H 8.540 0.003 1 223 46 46 GLU HA H 4.255 0.000 1 224 46 46 GLU C C 177.006 0.004 1 225 46 46 GLU CA C 56.541 0.000 1 226 46 46 GLU N N 122.380 0.000 1 227 47 47 GLY H H 8.515 0.002 1 228 47 47 GLY HA2 H 3.905 0.000 1 229 47 47 GLY HA3 H 3.905 0.000 1 230 47 47 GLY C C 173.890 0.017 1 231 47 47 GLY CA C 45.194 0.000 1 232 47 47 GLY N N 110.369 0.000 1 233 48 48 VAL H H 7.994 0.000 1 234 48 48 VAL HA H 4.072 0.000 1 235 48 48 VAL C C 176.087 0.001 1 236 48 48 VAL CA C 62.251 0.000 1 237 48 48 VAL N N 120.086 0.000 1 238 49 49 VAL H H 8.384 0.003 1 239 49 49 VAL HA H 4.057 0.000 1 240 49 49 VAL C C 175.967 0.033 1 241 49 49 VAL CA C 62.218 0.000 1 242 49 49 VAL N N 125.389 0.000 1 243 50 50 HIS H H 8.651 0.002 1 244 50 50 HIS HA H 4.677 0.016 1 245 50 50 HIS C C 175.532 0.008 1 246 50 50 HIS CA C 55.754 0.159 1 247 50 50 HIS N N 124.563 0.000 1 248 51 51 GLY H H 8.517 0.003 1 249 51 51 GLY HA2 H 3.975 0.000 1 250 51 51 GLY HA3 H 3.975 0.000 1 251 51 51 GLY C C 173.802 0.011 1 252 51 51 GLY CA C 45.081 0.000 1 253 51 51 GLY N N 110.752 0.000 1 254 52 52 VAL H H 8.138 0.001 1 255 52 52 VAL HA H 4.137 0.003 1 256 52 52 VAL C C 176.004 0.000 1 257 52 52 VAL CA C 61.995 0.037 1 258 52 52 VAL N N 119.749 0.000 1 259 53 53 ALA H H 8.576 0.000 1 260 53 53 ALA HA H 4.401 0.003 1 261 53 53 ALA C C 177.900 0.000 1 262 53 53 ALA CA C 52.376 0.025 1 263 53 53 ALA N N 128.443 0.000 1 264 54 54 THR H H 8.314 0.002 1 265 54 54 THR HA H 4.313 0.000 1 266 54 54 THR C C 174.589 0.001 1 267 54 54 THR CA C 61.889 0.000 1 268 54 54 THR N N 115.160 0.000 1 269 55 55 VAL H H 8.336 0.002 1 270 55 55 VAL HA H 4.077 0.000 1 271 55 55 VAL C C 175.920 0.006 1 272 55 55 VAL CA C 62.422 0.000 1 273 55 55 VAL N N 123.358 0.000 1 274 56 56 ALA H H 8.509 0.002 1 275 56 56 ALA HA H 4.281 0.000 1 276 56 56 ALA C C 177.850 0.000 1 277 56 56 ALA CA C 52.552 0.000 1 278 56 56 ALA N N 128.369 0.000 1 279 57 57 GLU H H 8.457 0.001 1 280 57 57 GLU C C 176.767 0.000 1 281 57 57 GLU CA C 56.557 0.000 1 282 57 57 GLU N N 121.102 0.000 1 283 58 58 LYS H H 8.522 0.001 1 284 58 58 LYS HA H 4.351 0.000 1 285 58 58 LYS C C 177.043 0.001 1 286 58 58 LYS CA C 56.823 0.000 1 287 58 58 LYS N N 123.074 0.000 1 288 59 59 THR H H 8.304 0.003 1 289 59 59 THR HA H 4.277 0.000 1 290 59 59 THR C C 174.690 0.002 1 291 59 59 THR CA C 62.219 0.000 1 292 59 59 THR N N 116.269 0.000 1 293 60 60 LYS H H 8.476 0.001 1 294 60 60 LYS HA H 4.283 0.000 1 295 60 60 LYS C C 176.797 0.007 1 296 60 60 LYS CA C 56.682 0.000 1 297 60 60 LYS N N 123.884 0.000 1 298 61 61 GLU H H 8.515 0.002 1 299 61 61 GLU C C 176.591 0.000 1 300 61 61 GLU CA C 56.602 0.000 1 301 61 61 GLU N N 122.377 0.000 1 302 62 62 GLN H H 8.523 0.000 1 303 62 62 GLN HA H 4.335 0.000 1 304 62 62 GLN C C 176.023 0.006 1 305 62 62 GLN CA C 55.808 0.000 1 306 62 62 GLN N N 122.375 0.000 1 307 63 63 VAL H H 8.370 0.005 1 308 63 63 VAL HA H 4.186 0.002 1 309 63 63 VAL C C 176.419 0.000 1 310 63 63 VAL CA C 62.352 0.034 1 311 63 63 VAL N N 122.179 0.000 1 312 64 64 THR H H 8.389 0.000 1 313 64 64 THR HA H 4.360 0.000 1 314 64 64 THR C C 174.089 0.000 1 315 64 64 THR CA C 61.845 0.000 1 316 64 64 THR N N 118.382 0.000 1 317 65 65 ASN H H 8.600 0.001 1 318 65 65 ASN HA H 4.784 0.000 1 319 65 65 ASN C C 175.313 0.000 1 320 65 65 ASN CA C 53.091 0.012 1 321 65 65 ASN N N 121.971 0.000 1 322 66 66 VAL H H 8.327 0.001 1 323 66 66 VAL HA H 4.117 0.000 1 324 66 66 VAL C C 176.941 0.000 1 325 66 66 VAL CA C 62.675 0.041 1 326 66 66 VAL N N 120.921 0.000 1 327 67 67 GLY H H 8.637 0.001 1 328 67 67 GLY HA2 H 3.967 0.000 1 329 67 67 GLY HA3 H 3.967 0.000 1 330 67 67 GLY C C 174.716 0.003 1 331 67 67 GLY CA C 45.367 0.000 1 332 67 67 GLY N N 112.808 0.000 1 333 68 68 GLY H H 8.307 0.000 1 334 68 68 GLY HA2 H 3.942 0.000 1 335 68 68 GLY HA3 H 3.942 0.000 1 336 68 68 GLY C C 173.772 0.002 1 337 68 68 GLY CA C 45.008 0.000 1 338 68 68 GLY N N 108.928 0.000 1 339 69 69 ALA H H 8.240 0.000 1 340 69 69 ALA HA H 4.345 0.000 1 341 69 69 ALA C C 177.725 0.001 1 342 69 69 ALA CA C 52.317 0.022 1 343 69 69 ALA N N 123.870 0.000 1 344 70 70 VAL H H 8.306 0.001 1 345 70 70 VAL HA H 4.085 0.000 1 346 70 70 VAL C C 176.409 0.004 1 347 70 70 VAL CA C 62.435 0.000 1 348 70 70 VAL N N 120.761 0.000 1 349 71 71 VAL H H 8.485 0.002 1 350 71 71 VAL HA H 4.214 0.003 1 351 71 71 VAL C C 176.353 0.001 1 352 71 71 VAL CA C 62.118 0.024 1 353 71 71 VAL N N 125.770 0.000 1 354 72 72 THR H H 8.399 0.001 1 355 72 72 THR HA H 4.360 0.000 1 356 72 72 THR C C 174.954 0.000 1 357 72 72 THR CA C 61.870 0.000 1 358 72 72 THR N N 118.966 0.000 1 359 73 73 GLY H H 8.518 0.000 1 360 73 73 GLY HA2 H 3.986 0.000 1 361 73 73 GLY HA3 H 3.986 0.000 1 362 73 73 GLY C C 174.045 0.002 1 363 73 73 GLY CA C 45.211 0.000 1 364 73 73 GLY N N 111.516 0.000 1 365 74 74 VAL H H 8.164 0.001 1 366 74 74 VAL HA H 4.186 0.002 1 367 74 74 VAL C C 176.630 0.000 1 368 74 74 VAL CA C 62.335 0.017 1 369 74 74 VAL N N 119.716 0.000 1 370 75 75 THR H H 8.389 0.001 1 371 75 75 THR HA H 4.304 0.000 1 372 75 75 THR C C 174.116 0.002 1 373 75 75 THR CA C 61.993 0.000 1 374 75 75 THR N N 119.331 0.000 1 375 76 76 ALA H H 8.459 0.001 1 376 76 76 ALA HA H 4.340 0.001 1 377 76 76 ALA C C 177.628 0.001 1 378 76 76 ALA CA C 52.442 0.000 1 379 76 76 ALA N N 127.658 0.000 1 380 77 77 VAL H H 8.239 0.001 1 381 77 77 VAL HA H 4.050 0.000 1 382 77 77 VAL C C 176.079 0.001 1 383 77 77 VAL CA C 62.261 0.000 1 384 77 77 VAL N N 120.388 0.000 1 385 78 78 ALA H H 8.497 0.001 1 386 78 78 ALA HA H 4.286 0.000 1 387 78 78 ALA C C 177.702 0.001 1 388 78 78 ALA CA C 52.506 0.000 1 389 78 78 ALA N N 128.409 0.000 1 390 79 79 GLN H H 8.481 0.000 1 391 79 79 GLN HA H 4.285 0.000 1 392 79 79 GLN C C 176.012 0.002 1 393 79 79 GLN CA C 55.675 0.000 1 394 79 79 GLN N N 120.557 0.000 1 395 80 80 LYS H H 8.520 0.001 1 396 80 80 LYS HA H 4.363 0.000 1 397 80 80 LYS C C 176.753 0.001 1 398 80 80 LYS CA C 56.341 0.000 1 399 80 80 LYS N N 123.520 0.000 1 400 81 81 THR H H 8.381 0.001 1 401 81 81 THR HA H 4.338 0.000 1 402 81 81 THR C C 174.484 0.002 1 403 81 81 THR CA C 61.987 0.000 1 404 81 81 THR N N 117.237 0.000 1 405 82 82 VAL H H 8.394 0.000 1 406 82 82 VAL HA H 4.113 0.000 1 407 82 82 VAL C C 176.217 0.004 1 408 82 82 VAL CA C 62.301 0.000 1 409 82 82 VAL N N 123.313 0.000 1 410 83 83 GLU H H 8.658 0.001 1 411 83 83 GLU HA H 4.256 0.000 1 412 83 83 GLU C C 177.093 0.000 1 413 83 83 GLU CA C 56.813 0.000 1 414 83 83 GLU N N 125.581 0.000 1 415 84 84 GLY H H 8.602 0.001 1 416 84 84 GLY HA2 H 3.951 0.000 1 417 84 84 GLY HA3 H 3.951 0.000 1 418 84 84 GLY C C 174.197 0.004 1 419 84 84 GLY CA C 45.247 0.000 1 420 84 84 GLY N N 110.893 0.000 1 421 85 85 ALA H H 8.339 0.001 1 422 85 85 ALA HA H 4.301 0.000 1 423 85 85 ALA C C 178.577 0.000 1 424 85 85 ALA CA C 52.909 0.000 1 425 85 85 ALA N N 124.042 0.000 1 426 86 86 GLY H H 8.576 0.002 1 427 86 86 GLY HA2 H 3.963 0.000 1 428 86 86 GLY HA3 H 3.963 0.000 1 429 86 86 GLY C C 174.341 0.004 1 430 86 86 GLY CA C 45.282 0.000 1 431 86 86 GLY N N 108.337 0.000 1 432 87 87 SER H H 8.221 0.002 1 433 87 87 SER HA H 4.458 0.000 1 434 87 87 SER C C 174.758 0.003 1 435 87 87 SER CA C 58.355 0.027 1 436 87 87 SER N N 115.809 0.000 1 437 88 88 ILE H H 8.274 0.000 1 438 88 88 ILE HA H 4.165 0.002 1 439 88 88 ILE C C 176.339 0.003 1 440 88 88 ILE CA C 61.281 0.035 1 441 88 88 ILE N N 122.939 0.000 1 442 89 89 ALA H H 8.433 0.001 1 443 89 89 ALA HA H 4.245 0.000 1 444 89 89 ALA C C 177.629 0.000 1 445 89 89 ALA CA C 52.612 0.000 1 446 89 89 ALA N N 128.307 0.000 1 447 90 90 ALA H H 8.299 0.000 1 448 90 90 ALA HA H 4.251 0.000 1 449 90 90 ALA C C 177.789 0.003 1 450 90 90 ALA CA C 52.435 0.000 1 451 90 90 ALA N N 123.536 0.000 1 452 91 91 ALA H H 8.375 0.001 1 453 91 91 ALA HA H 4.352 0.003 1 454 91 91 ALA C C 178.209 0.002 1 455 91 91 ALA CA C 52.611 0.008 1 456 91 91 ALA N N 123.602 0.000 1 457 92 92 THR H H 8.183 0.001 1 458 92 92 THR HA H 4.297 0.000 1 459 92 92 THR C C 175.217 0.002 1 460 92 92 THR CA C 62.043 0.000 1 461 92 92 THR N N 112.878 0.000 1 462 93 93 GLY H H 8.385 0.000 1 463 93 93 GLY HA2 H 3.908 0.000 1 464 93 93 GLY HA3 H 3.908 0.000 1 465 93 93 GLY C C 173.649 0.005 1 466 93 93 GLY CA C 45.143 0.000 1 467 93 93 GLY N N 110.854 0.000 1 468 94 94 PHE H H 8.164 0.001 1 469 94 94 PHE HA H 4.603 0.001 1 470 94 94 PHE C C 175.535 0.004 1 471 94 94 PHE CA C 57.865 0.013 1 472 94 94 PHE N N 120.466 0.000 1 473 95 95 VAL H H 8.133 0.002 1 474 95 95 VAL HA H 3.998 0.000 1 475 95 95 VAL C C 175.433 0.005 1 476 95 95 VAL CA C 62.015 0.000 1 477 95 95 VAL N N 124.135 0.000 1 478 96 96 LYS H H 8.483 0.001 1 479 96 96 LYS HA H 4.216 0.000 1 480 96 96 LYS C C 176.517 0.008 1 481 96 96 LYS CA C 56.460 0.000 1 482 96 96 LYS N N 126.682 0.000 1 483 97 97 LYS H H 8.559 0.001 1 484 97 97 LYS HA H 4.287 0.000 1 485 97 97 LYS C C 176.414 0.003 1 486 97 97 LYS CA C 56.469 0.000 1 487 97 97 LYS N N 124.030 0.000 1 488 98 98 ASP H H 8.484 0.001 1 489 98 98 ASP HA H 4.562 0.002 1 490 98 98 ASP C C 176.262 0.003 1 491 98 98 ASP CA C 54.404 0.022 1 492 98 98 ASP N N 121.424 0.000 1 493 99 99 GLN H H 8.426 0.001 1 494 99 99 GLN HA H 4.313 0.000 1 495 99 99 GLN C C 176.083 0.008 1 496 99 99 GLN CA C 55.879 0.000 1 497 99 99 GLN N N 120.362 0.000 1 498 100 100 LEU H H 8.381 0.002 1 499 100 100 LEU HA H 4.333 0.001 1 500 100 100 LEU C C 178.060 0.002 1 501 100 100 LEU CA C 55.347 0.024 1 502 100 100 LEU N N 123.041 0.000 1 503 101 101 GLY H H 8.559 0.001 1 504 101 101 GLY HA2 H 3.939 0.000 1 505 101 101 GLY HA3 H 3.939 0.000 1 506 101 101 GLY C C 174.122 0.003 1 507 101 101 GLY CA C 45.279 0.000 1 508 101 101 GLY N N 109.960 0.000 1 509 102 102 LYS H H 8.289 0.002 1 510 102 102 LYS HA H 4.306 0.000 1 511 102 102 LYS C C 176.525 0.003 1 512 102 102 LYS CA C 56.217 0.000 1 513 102 102 LYS N N 120.887 0.000 1 514 103 103 ASN H H 8.703 0.000 1 515 103 103 ASN HA H 4.687 0.001 1 516 103 103 ASN C C 175.364 0.000 1 517 103 103 ASN CA C 53.300 0.026 1 518 103 103 ASN N N 120.154 0.000 1 519 104 104 GLU H H 8.553 0.001 1 520 104 104 GLU HA H 4.295 0.000 1 521 104 104 GLU C C 176.602 0.003 1 522 104 104 GLU CA C 56.489 0.000 1 523 104 104 GLU N N 121.532 0.000 1 524 105 105 GLU H H 8.540 0.003 1 525 105 105 GLU C C 177.095 0.000 1 526 105 105 GLU CA C 56.520 0.000 1 527 105 105 GLU N N 122.001 0.000 1 528 106 106 GLY H H 8.513 0.001 1 529 106 106 GLY HA2 H 3.926 0.000 1 530 106 106 GLY HA3 H 3.926 0.000 1 531 106 106 GLY C C 173.477 0.002 1 532 106 106 GLY CA C 44.999 0.000 1 533 106 106 GLY N N 110.122 0.000 1 534 107 107 ALA H H 8.197 0.002 1 535 107 107 ALA N N 125.054 0.000 1 536 108 108 PRO HA H 4.431 0.009 1 537 108 108 PRO C C 177.089 0.004 1 538 108 108 PRO CA C 63.014 0.057 1 539 109 109 GLN H H 8.677 0.001 1 540 109 109 GLN HA H 4.297 0.000 1 541 109 109 GLN C C 176.040 0.000 1 542 109 109 GLN CA C 55.675 0.000 1 543 109 109 GLN N N 121.406 0.000 1 544 110 110 GLU H H 8.612 0.001 1 545 110 110 GLU HA H 4.287 0.000 1 546 110 110 GLU C C 176.798 0.003 1 547 110 110 GLU CA C 56.500 0.000 1 548 110 110 GLU N N 122.777 0.000 1 549 111 111 GLY H H 8.515 0.001 1 550 111 111 GLY HA2 H 3.944 0.000 1 551 111 111 GLY HA3 H 3.944 0.000 1 552 111 111 GLY C C 173.791 0.001 1 553 111 111 GLY CA C 45.242 0.000 1 554 111 111 GLY N N 110.168 0.000 1 555 112 112 ILE H H 8.082 0.001 1 556 112 112 ILE HA H 4.169 0.001 1 557 112 112 ILE C C 176.335 0.002 1 558 112 112 ILE CA C 60.876 0.032 1 559 112 112 ILE N N 120.339 0.000 1 560 113 113 LEU H H 8.500 0.003 1 561 113 113 LEU HA H 4.391 0.002 1 562 113 113 LEU C C 177.204 0.002 1 563 113 113 LEU CA C 54.983 0.013 1 564 113 113 LEU N N 127.342 0.000 1 565 114 114 GLU H H 8.504 0.003 1 566 114 114 GLU HA H 4.249 0.000 1 567 114 114 GLU C C 175.933 0.000 1 568 114 114 GLU CA C 56.412 0.000 1 569 114 114 GLU N N 122.348 0.000 1 570 115 115 ASP H H 8.445 0.001 1 571 115 115 ASP HA H 4.564 0.002 1 572 115 115 ASP C C 175.847 0.004 1 573 115 115 ASP CA C 54.258 0.044 1 574 115 115 ASP N N 121.658 0.000 1 575 116 116 MET H H 8.348 0.002 1 576 116 116 MET N N 122.191 0.000 1 577 117 117 PRO HA H 4.454 0.003 1 578 117 117 PRO C C 176.758 0.005 1 579 117 117 PRO CA C 62.858 0.027 1 580 118 118 VAL H H 8.398 0.000 1 581 118 118 VAL HA H 4.059 0.000 1 582 118 118 VAL C C 175.843 0.002 1 583 118 118 VAL CA C 61.924 0.000 1 584 118 118 VAL N N 121.080 0.000 1 585 119 119 ASP H H 8.618 0.003 1 586 119 119 ASP N N 126.297 0.000 1 587 120 120 PRO HA H 4.333 0.007 1 588 120 120 PRO C C 176.936 0.015 1 589 120 120 PRO CA C 63.429 0.036 1 590 121 121 ASP H H 8.456 0.001 1 591 121 121 ASP HA H 4.595 0.004 1 592 121 121 ASP C C 176.210 0.004 1 593 121 121 ASP CA C 54.505 0.029 1 594 121 121 ASP N N 119.471 0.000 1 595 122 122 ASN H H 8.188 0.001 1 596 122 122 ASN HA H 4.684 0.003 1 597 122 122 ASN C C 175.438 0.001 1 598 122 122 ASN CA C 53.391 0.051 1 599 122 122 ASN N N 119.282 0.000 1 600 123 123 GLU H H 8.455 0.000 1 601 123 123 GLU HA H 4.201 0.000 1 602 123 123 GLU C C 176.118 0.000 1 603 123 123 GLU CA C 56.239 0.000 1 604 123 123 GLU N N 121.918 0.000 1 605 124 124 ALA H H 8.311 0.001 1 606 124 124 ALA HA H 4.282 0.000 1 607 124 124 ALA C C 177.251 0.005 1 608 124 124 ALA CA C 52.294 0.000 1 609 124 124 ALA N N 124.643 0.000 1 610 125 125 TYR H H 8.120 0.000 1 611 125 125 TYR HA H 4.517 0.002 1 612 125 125 TYR C C 175.373 0.003 1 613 125 125 TYR CA C 57.754 0.031 1 614 125 125 TYR N N 120.262 0.000 1 615 126 126 GLU H H 8.207 0.002 1 616 126 126 GLU HA H 4.243 0.004 1 617 126 126 GLU C C 175.433 0.004 1 618 126 126 GLU CA C 55.544 0.014 1 619 126 126 GLU N N 124.163 0.000 1 620 127 127 MET H H 8.507 0.002 1 621 127 127 MET N N 124.178 0.000 1 622 128 128 PRO HA H 4.435 0.005 1 623 128 128 PRO C C 176.918 0.007 1 624 128 128 PRO CA C 62.992 0.035 1 625 129 129 SER H H 8.580 0.000 1 626 129 129 SER HA H 4.415 0.000 1 627 129 129 SER C C 174.846 0.002 1 628 129 129 SER CA C 58.240 0.028 1 629 129 129 SER N N 117.010 0.000 1 630 130 130 GLU H H 8.663 0.001 1 631 130 130 GLU HA H 4.320 0.000 1 632 130 130 GLU C C 176.500 0.021 1 633 130 130 GLU CA C 56.390 0.000 1 634 130 130 GLU N N 123.379 0.000 1 635 131 131 GLU H H 8.506 0.002 1 636 131 131 GLU HA H 4.244 0.000 1 637 131 131 GLU C C 177.014 0.003 1 638 131 131 GLU CA C 56.794 0.000 1 639 131 131 GLU N N 121.939 0.000 1 640 132 132 GLY H H 8.494 0.002 1 641 132 132 GLY HA2 H 3.895 0.000 1 642 132 132 GLY HA3 H 3.895 0.000 1 643 132 132 GLY C C 173.868 0.003 1 644 132 132 GLY CA C 45.122 0.000 1 645 132 132 GLY N N 110.102 0.000 1 646 133 133 TYR H H 8.145 0.002 1 647 133 133 TYR HA H 4.500 0.003 1 648 133 133 TYR C C 175.785 0.002 1 649 133 133 TYR CA C 58.152 0.038 1 650 133 133 TYR N N 120.477 0.000 1 651 134 134 GLN H H 8.290 0.000 1 652 134 134 GLN HA H 4.247 0.002 1 653 134 134 GLN C C 174.865 0.003 1 654 134 134 GLN CA C 55.347 0.019 1 655 134 134 GLN N N 122.949 0.000 1 656 135 135 ASP H H 8.311 0.001 1 657 135 135 ASP HA H 4.527 0.003 1 658 135 135 ASP C C 175.560 0.008 1 659 135 135 ASP CA C 54.192 0.021 1 660 135 135 ASP N N 121.854 0.000 1 661 136 136 TYR H H 8.124 0.001 1 662 136 136 TYR HA H 4.554 0.003 1 663 136 136 TYR C C 175.140 0.000 1 664 136 136 TYR CA C 57.552 0.026 1 665 136 136 TYR N N 120.684 0.000 1 666 137 137 GLU H H 8.337 0.001 1 667 137 137 GLU N N 125.622 0.000 1 668 138 138 PRO HA H 4.344 0.004 1 669 138 138 PRO C C 176.914 0.000 1 670 138 138 PRO CA C 62.856 0.041 1 671 139 139 GLU H H 8.602 0.001 1 672 139 139 GLU HA H 4.207 0.000 1 673 139 139 GLU C C 175.470 0.002 1 674 139 139 GLU CA C 56.577 0.000 1 675 139 139 GLU N N 121.771 0.000 1 676 140 140 ALA H H 8.089 0.000 1 677 140 140 ALA HA H 4.098 0.003 1 678 140 140 ALA C C 182.647 0.000 1 679 140 140 ALA CA C 53.797 0.000 1 680 140 140 ALA N N 131.116 0.000 1 stop_ save_ save_assigned_chem_shift_list_25 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D H(NCO)CA' '2D HA(CA)CO' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_6.94 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.016 0.001 1 2 1 1 MET C C 173.304 0.000 1 3 1 1 MET CA C 55.141 0.000 1 4 2 2 ASP HA H 4.691 0.003 1 5 2 2 ASP C C 175.964 0.005 1 6 2 2 ASP CA C 54.190 0.038 1 7 3 3 VAL H H 8.332 0.002 1 8 3 3 VAL HA H 4.016 0.000 1 9 3 3 VAL C C 175.990 0.001 1 10 3 3 VAL CA C 62.606 0.000 1 11 3 3 VAL N N 120.629 0.000 1 12 4 4 PHE H H 8.427 0.001 1 13 4 4 PHE HA H 4.600 0.002 1 14 4 4 PHE C C 175.886 0.007 1 15 4 4 PHE CA C 57.941 0.062 1 16 4 4 PHE N N 123.764 0.000 1 17 5 5 MET H H 8.289 0.001 1 18 5 5 MET HA H 4.389 0.005 1 19 5 5 MET C C 175.993 0.007 1 20 5 5 MET CA C 55.293 0.064 1 21 5 5 MET N N 122.534 0.000 1 22 6 6 LYS H H 8.353 0.002 1 23 6 6 LYS HA H 4.199 0.003 1 24 6 6 LYS C C 177.208 0.002 1 25 6 6 LYS CA C 56.865 0.047 1 26 6 6 LYS N N 122.805 0.000 1 27 7 7 GLY H H 8.501 0.003 1 28 7 7 GLY HA2 H 3.938 0.000 1 29 7 7 GLY HA3 H 3.938 0.000 1 30 7 7 GLY C C 174.220 0.002 1 31 7 7 GLY CA C 45.274 0.000 1 32 7 7 GLY N N 110.103 0.000 1 33 8 8 LEU H H 8.137 0.001 1 34 8 8 LEU HA H 4.386 0.006 1 35 8 8 LEU C C 177.727 0.002 1 36 8 8 LEU CA C 55.131 0.052 1 37 8 8 LEU N N 121.663 0.000 1 38 9 9 SER H H 8.401 0.002 1 39 9 9 SER HA H 4.412 0.005 1 40 9 9 SER C C 174.612 0.001 1 41 9 9 SER CA C 58.338 0.060 1 42 9 9 SER N N 116.882 0.000 1 43 10 10 LYS H H 8.451 0.001 1 44 10 10 LYS HA H 4.365 0.000 1 45 10 10 LYS C C 176.755 0.001 1 46 10 10 LYS CA C 56.405 0.000 1 47 10 10 LYS N N 123.857 0.000 1 48 11 11 ALA H H 8.382 0.001 1 49 11 11 ALA HA H 4.247 0.000 1 50 11 11 ALA C C 177.984 0.003 1 51 11 11 ALA CA C 52.727 0.000 1 52 11 11 ALA N N 125.539 0.000 1 53 12 12 LYS H H 8.426 0.002 1 54 12 12 LYS HA H 4.266 0.000 1 55 12 12 LYS C C 176.776 0.005 1 56 12 12 LYS CA C 56.436 0.000 1 57 12 12 LYS N N 121.087 0.000 1 58 13 13 GLU H H 8.506 0.001 1 59 13 13 GLU C C 177.106 0.000 1 60 13 13 GLU CA C 56.768 0.000 1 61 13 13 GLU N N 122.381 0.000 1 62 14 14 GLY H H 8.542 0.001 1 63 14 14 GLY C C 174.080 0.000 1 64 14 14 GLY CA C 45.315 0.000 1 65 14 14 GLY N N 110.244 0.000 1 66 15 15 VAL H H 8.055 0.000 1 67 15 15 VAL HA H 4.083 0.000 1 68 15 15 VAL C C 176.555 0.003 1 69 15 15 VAL CA C 62.643 0.000 1 70 15 15 VAL N N 120.338 0.000 1 71 16 16 VAL H H 8.381 0.001 1 72 16 16 VAL C C 176.084 0.000 1 73 16 16 VAL CA C 62.550 0.000 1 74 16 16 VAL N N 125.539 0.000 1 75 17 17 ALA H H 8.532 0.001 1 76 17 17 ALA HA H 4.260 0.000 1 77 17 17 ALA C C 177.748 0.005 1 78 17 17 ALA CA C 52.629 0.000 1 79 17 17 ALA N N 128.657 0.000 1 80 18 18 ALA H H 8.397 0.001 1 81 18 18 ALA HA H 4.228 0.000 1 82 18 18 ALA C C 177.992 0.001 1 83 18 18 ALA CA C 52.760 0.000 1 84 18 18 ALA N N 123.848 0.000 1 85 19 19 ALA H H 8.358 0.002 1 86 19 19 ALA HA H 4.265 0.000 1 87 19 19 ALA C C 178.278 0.011 1 88 19 19 ALA CA C 52.847 0.000 1 89 19 19 ALA N N 123.294 0.000 1 90 20 20 GLU H H 8.406 0.000 1 91 20 20 GLU C C 177.010 0.000 1 92 20 20 GLU CA C 56.802 0.000 1 93 20 20 GLU N N 120.293 0.000 1 94 21 21 LYS H H 8.418 0.001 1 95 21 21 LYS HA H 4.322 0.000 1 96 21 21 LYS C C 177.245 0.002 1 97 21 21 LYS CA C 56.770 0.000 1 98 21 21 LYS N N 122.492 0.000 1 99 22 22 THR H H 8.221 0.001 1 100 22 22 THR HA H 4.268 0.000 1 101 22 22 THR C C 174.763 0.002 1 102 22 22 THR CA C 62.353 0.000 1 103 22 22 THR N N 115.575 0.000 1 104 23 23 LYS H H 8.432 0.003 1 105 23 23 LYS HA H 4.277 0.000 1 106 23 23 LYS C C 176.779 0.003 1 107 23 23 LYS CA C 56.806 0.000 1 108 23 23 LYS N N 123.937 0.000 1 109 24 24 GLN H H 8.508 0.002 1 110 24 24 GLN HA H 4.290 0.000 1 111 24 24 GLN C C 176.684 0.003 1 112 24 24 GLN CA C 56.308 0.000 1 113 24 24 GLN N N 122.335 0.000 1 114 25 25 GLY H H 8.559 0.001 1 115 25 25 GLY HA2 H 3.978 0.000 1 116 25 25 GLY HA3 H 3.978 0.000 1 117 25 25 GLY C C 174.332 0.001 1 118 25 25 GLY CA C 45.361 0.000 1 119 25 25 GLY N N 110.673 0.000 1 120 26 26 VAL H H 8.095 0.001 1 121 26 26 VAL HA H 4.063 0.000 1 122 26 26 VAL C C 176.484 0.004 1 123 26 26 VAL CA C 62.689 0.000 1 124 26 26 VAL N N 120.001 0.000 1 125 27 27 ALA H H 8.500 0.001 1 126 27 27 ALA HA H 4.283 0.000 1 127 27 27 ALA C C 178.238 0.003 1 128 27 27 ALA CA C 52.854 0.000 1 129 27 27 ALA N N 127.519 0.000 1 130 28 28 GLU H H 8.482 0.001 1 131 28 28 GLU HA H 4.188 0.000 1 132 28 28 GLU C C 176.759 0.009 1 133 28 28 GLU CA C 56.891 0.000 1 134 28 28 GLU N N 120.747 0.000 1 135 29 29 ALA H H 8.376 0.001 1 136 29 29 ALA HA H 4.262 0.000 1 137 29 29 ALA C C 177.838 0.001 1 138 29 29 ALA CA C 52.733 0.000 1 139 29 29 ALA N N 125.066 0.000 1 140 30 30 ALA H H 8.312 0.001 1 141 30 30 ALA HA H 4.287 0.000 1 142 30 30 ALA C C 178.555 0.001 1 143 30 30 ALA CA C 52.821 0.000 1 144 30 30 ALA N N 123.161 0.000 1 145 31 31 GLY H H 8.386 0.001 1 146 31 31 GLY HA2 H 3.925 0.000 1 147 31 31 GLY HA3 H 3.925 0.000 1 148 31 31 GLY C C 174.245 0.004 1 149 31 31 GLY CA C 45.328 0.000 1 150 31 31 GLY N N 107.890 0.000 1 151 32 32 LYS H H 8.178 0.002 1 152 32 32 LYS HA H 4.424 0.003 1 153 32 32 LYS C C 177.078 0.002 1 154 32 32 LYS CA C 56.236 0.008 1 155 32 32 LYS N N 120.806 0.000 1 156 33 33 THR H H 8.313 0.003 1 157 33 33 THR HA H 4.337 0.000 1 158 33 33 THR C C 174.721 0.007 1 159 33 33 THR CA C 61.990 0.000 1 160 33 33 THR N N 115.855 0.000 1 161 34 34 LYS H H 8.560 0.001 1 162 34 34 LYS C C 176.598 0.000 1 163 34 34 LYS CA C 56.565 0.000 1 164 34 34 LYS N N 124.033 0.000 1 165 35 35 GLU H H 8.536 0.004 1 166 35 35 GLU HA H 4.256 0.000 1 167 35 35 GLU C C 177.007 0.002 1 168 35 35 GLU CA C 56.521 0.000 1 169 35 35 GLU N N 122.230 0.000 1 170 36 36 GLY H H 8.515 0.001 1 171 36 36 GLY HA2 H 3.951 0.000 1 172 36 36 GLY HA3 H 3.951 0.000 1 173 36 36 GLY C C 174.063 0.008 1 174 36 36 GLY CA C 45.259 0.000 1 175 36 36 GLY N N 110.364 0.000 1 176 37 37 VAL H H 7.988 0.001 1 177 37 37 VAL HA H 4.057 0.000 1 178 37 37 VAL C C 176.018 0.001 1 179 37 37 VAL CA C 62.379 0.000 1 180 37 37 VAL N N 119.758 0.000 1 181 38 38 LEU H H 8.370 0.002 1 182 38 38 LEU HA H 4.343 0.001 1 183 38 38 LEU C C 176.722 0.003 1 184 38 38 LEU CA C 54.945 0.025 1 185 38 38 LEU N N 126.045 0.000 1 186 39 39 TYR H H 8.361 0.002 1 187 39 39 TYR HA H 4.580 0.002 1 188 39 39 TYR C C 175.623 0.004 1 189 39 39 TYR CA C 57.913 0.036 1 190 39 39 TYR N N 122.731 0.000 1 191 40 40 VAL H H 8.156 0.000 1 192 40 40 VAL HA H 4.049 0.000 1 193 40 40 VAL C C 176.166 0.008 1 194 40 40 VAL CA C 62.202 0.000 1 195 40 40 VAL N N 123.700 0.000 1 196 41 41 GLY H H 8.104 0.000 1 197 41 41 GLY HA2 H 3.927 0.000 1 198 41 41 GLY HA3 H 3.927 0.000 1 199 41 41 GLY C C 173.974 0.004 1 200 41 41 GLY CA C 45.168 0.000 1 201 41 41 GLY N N 112.315 0.000 1 202 42 42 SER H H 8.333 0.002 1 203 42 42 SER HA H 4.441 0.002 1 204 42 42 SER C C 174.815 0.006 1 205 42 42 SER CA C 58.328 0.045 1 206 42 42 SER N N 115.794 0.000 1 207 43 43 LYS H H 8.564 0.002 1 208 43 43 LYS HA H 4.428 0.001 1 209 43 43 LYS C C 176.929 0.009 1 210 43 43 LYS CA C 56.403 0.034 1 211 43 43 LYS N N 123.615 0.000 1 212 44 44 THR H H 8.264 0.000 1 213 44 44 THR HA H 4.311 0.000 1 214 44 44 THR C C 174.637 0.008 1 215 44 44 THR CA C 61.952 0.000 1 216 44 44 THR N N 115.757 0.000 1 217 45 45 LYS H H 8.518 0.001 1 218 45 45 LYS HA H 4.292 0.000 1 219 45 45 LYS C C 176.590 0.003 1 220 45 45 LYS CA C 56.488 0.000 1 221 45 45 LYS N N 124.055 0.000 1 222 46 46 GLU H H 8.539 0.004 1 223 46 46 GLU HA H 4.255 0.000 1 224 46 46 GLU C C 177.007 0.004 1 225 46 46 GLU CA C 56.541 0.000 1 226 46 46 GLU N N 122.380 0.000 1 227 47 47 GLY H H 8.514 0.002 1 228 47 47 GLY HA2 H 3.905 0.000 1 229 47 47 GLY HA3 H 3.905 0.000 1 230 47 47 GLY C C 173.880 0.016 1 231 47 47 GLY CA C 45.196 0.000 1 232 47 47 GLY N N 110.376 0.000 1 233 48 48 VAL H H 7.990 0.000 1 234 48 48 VAL HA H 4.072 0.000 1 235 48 48 VAL C C 176.083 0.003 1 236 48 48 VAL CA C 62.273 0.000 1 237 48 48 VAL N N 120.125 0.000 1 238 49 49 VAL H H 8.384 0.003 1 239 49 49 VAL HA H 4.057 0.000 1 240 49 49 VAL C C 175.971 0.046 1 241 49 49 VAL CA C 62.211 0.000 1 242 49 49 VAL N N 125.427 0.000 1 243 50 50 HIS H H 8.614 0.002 1 244 50 50 HIS HA H 4.639 0.003 1 245 50 50 HIS C C 175.694 0.001 1 246 50 50 HIS CA C 55.865 0.235 1 247 50 50 HIS N N 124.801 0.000 1 248 51 51 GLY H H 8.501 0.007 1 249 51 51 GLY HA2 H 3.975 0.000 1 250 51 51 GLY HA3 H 3.975 0.000 1 251 51 51 GLY C C 173.803 0.018 1 252 51 51 GLY CA C 45.171 0.000 1 253 51 51 GLY N N 110.787 0.000 1 254 52 52 VAL H H 8.126 0.001 1 255 52 52 VAL HA H 4.133 0.002 1 256 52 52 VAL C C 176.005 0.003 1 257 52 52 VAL CA C 62.002 0.034 1 258 52 52 VAL N N 119.750 0.000 1 259 53 53 ALA H H 8.575 0.001 1 260 53 53 ALA HA H 4.399 0.004 1 261 53 53 ALA C C 177.903 0.000 1 262 53 53 ALA CA C 52.405 0.004 1 263 53 53 ALA N N 128.446 0.000 1 264 54 54 THR H H 8.314 0.002 1 265 54 54 THR HA H 4.313 0.000 1 266 54 54 THR C C 174.591 0.000 1 267 54 54 THR CA C 61.881 0.000 1 268 54 54 THR N N 115.168 0.000 1 269 55 55 VAL H H 8.335 0.001 1 270 55 55 VAL HA H 4.073 0.000 1 271 55 55 VAL C C 175.916 0.002 1 272 55 55 VAL CA C 62.422 0.000 1 273 55 55 VAL N N 123.401 0.000 1 274 56 56 ALA H H 8.511 0.001 1 275 56 56 ALA HA H 4.281 0.000 1 276 56 56 ALA C C 177.851 0.000 1 277 56 56 ALA CA C 52.540 0.000 1 278 56 56 ALA N N 128.329 0.000 1 279 57 57 GLU H H 8.460 0.002 1 280 57 57 GLU C C 176.767 0.000 1 281 57 57 GLU CA C 56.557 0.000 1 282 57 57 GLU N N 121.106 0.000 1 283 58 58 LYS H H 8.522 0.001 1 284 58 58 LYS HA H 4.352 0.000 1 285 58 58 LYS C C 177.043 0.005 1 286 58 58 LYS CA C 56.833 0.000 1 287 58 58 LYS N N 123.089 0.000 1 288 59 59 THR H H 8.306 0.004 1 289 59 59 THR HA H 4.274 0.000 1 290 59 59 THR C C 174.685 0.002 1 291 59 59 THR CA C 62.219 0.000 1 292 59 59 THR N N 116.272 0.000 1 293 60 60 LYS H H 8.475 0.000 1 294 60 60 LYS HA H 4.283 0.000 1 295 60 60 LYS C C 176.795 0.007 1 296 60 60 LYS CA C 56.682 0.000 1 297 60 60 LYS N N 123.884 0.000 1 298 61 61 GLU H H 8.515 0.002 1 299 61 61 GLU C C 176.591 0.000 1 300 61 61 GLU CA C 56.602 0.000 1 301 61 61 GLU N N 122.377 0.000 1 302 62 62 GLN H H 8.523 0.000 1 303 62 62 GLN HA H 4.335 0.000 1 304 62 62 GLN C C 176.023 0.004 1 305 62 62 GLN CA C 55.816 0.000 1 306 62 62 GLN N N 122.375 0.000 1 307 63 63 VAL H H 8.373 0.003 1 308 63 63 VAL HA H 4.186 0.001 1 309 63 63 VAL C C 176.418 0.001 1 310 63 63 VAL CA C 62.353 0.035 1 311 63 63 VAL N N 122.225 0.000 1 312 64 64 THR H H 8.389 0.002 1 313 64 64 THR HA H 4.361 0.000 1 314 64 64 THR C C 174.085 0.001 1 315 64 64 THR CA C 61.845 0.000 1 316 64 64 THR N N 118.379 0.000 1 317 65 65 ASN H H 8.602 0.002 1 318 65 65 ASN HA H 4.778 0.004 1 319 65 65 ASN C C 175.320 0.006 1 320 65 65 ASN CA C 53.108 0.004 1 321 65 65 ASN N N 121.978 0.000 1 322 66 66 VAL H H 8.327 0.000 1 323 66 66 VAL HA H 4.116 0.001 1 324 66 66 VAL C C 176.941 0.002 1 325 66 66 VAL CA C 62.675 0.045 1 326 66 66 VAL N N 120.964 0.000 1 327 67 67 GLY H H 8.639 0.000 1 328 67 67 GLY HA2 H 3.966 0.000 1 329 67 67 GLY HA3 H 3.966 0.000 1 330 67 67 GLY C C 174.713 0.002 1 331 67 67 GLY CA C 45.365 0.000 1 332 67 67 GLY N N 112.813 0.000 1 333 68 68 GLY H H 8.304 0.001 1 334 68 68 GLY HA2 H 3.940 0.000 1 335 68 68 GLY HA3 H 3.940 0.000 1 336 68 68 GLY C C 173.774 0.005 1 337 68 68 GLY CA C 45.022 0.000 1 338 68 68 GLY N N 108.918 0.000 1 339 69 69 ALA H H 8.240 0.001 1 340 69 69 ALA HA H 4.344 0.001 1 341 69 69 ALA C C 177.723 0.002 1 342 69 69 ALA CA C 52.317 0.022 1 343 69 69 ALA N N 123.867 0.000 1 344 70 70 VAL H H 8.306 0.001 1 345 70 70 VAL HA H 4.085 0.000 1 346 70 70 VAL C C 176.408 0.004 1 347 70 70 VAL CA C 62.435 0.000 1 348 70 70 VAL N N 120.781 0.000 1 349 71 71 VAL H H 8.486 0.002 1 350 71 71 VAL HA H 4.212 0.003 1 351 71 71 VAL C C 176.353 0.000 1 352 71 71 VAL CA C 62.129 0.013 1 353 71 71 VAL N N 125.780 0.000 1 354 72 72 THR H H 8.397 0.001 1 355 72 72 THR HA H 4.359 0.000 1 356 72 72 THR C C 174.950 0.005 1 357 72 72 THR CA C 61.870 0.000 1 358 72 72 THR N N 118.976 0.000 1 359 73 73 GLY H H 8.517 0.001 1 360 73 73 GLY HA2 H 3.986 0.000 1 361 73 73 GLY HA3 H 3.986 0.000 1 362 73 73 GLY C C 174.041 0.005 1 363 73 73 GLY CA C 45.211 0.000 1 364 73 73 GLY N N 111.524 0.000 1 365 74 74 VAL H H 8.164 0.002 1 366 74 74 VAL HA H 4.184 0.003 1 367 74 74 VAL C C 176.627 0.000 1 368 74 74 VAL CA C 62.335 0.017 1 369 74 74 VAL N N 119.723 0.000 1 370 75 75 THR H H 8.389 0.002 1 371 75 75 THR HA H 4.306 0.000 1 372 75 75 THR C C 174.108 0.006 1 373 75 75 THR CA C 61.983 0.000 1 374 75 75 THR N N 119.352 0.000 1 375 76 76 ALA H H 8.460 0.003 1 376 76 76 ALA HA H 4.340 0.001 1 377 76 76 ALA C C 177.627 0.000 1 378 76 76 ALA CA C 52.441 0.001 1 379 76 76 ALA N N 127.668 0.000 1 380 77 77 VAL H H 8.239 0.001 1 381 77 77 VAL HA H 4.051 0.000 1 382 77 77 VAL C C 176.076 0.003 1 383 77 77 VAL CA C 62.261 0.000 1 384 77 77 VAL N N 120.388 0.000 1 385 78 78 ALA H H 8.496 0.001 1 386 78 78 ALA HA H 4.285 0.000 1 387 78 78 ALA C C 177.701 0.002 1 388 78 78 ALA CA C 52.490 0.000 1 389 78 78 ALA N N 128.442 0.000 1 390 79 79 GLN H H 8.482 0.001 1 391 79 79 GLN HA H 4.285 0.000 1 392 79 79 GLN C C 176.012 0.002 1 393 79 79 GLN CA C 55.675 0.000 1 394 79 79 GLN N N 120.569 0.000 1 395 80 80 LYS H H 8.520 0.001 1 396 80 80 LYS HA H 4.365 0.000 1 397 80 80 LYS C C 176.753 0.001 1 398 80 80 LYS CA C 56.341 0.000 1 399 80 80 LYS N N 123.534 0.000 1 400 81 81 THR H H 8.381 0.001 1 401 81 81 THR HA H 4.338 0.000 1 402 81 81 THR C C 174.481 0.002 1 403 81 81 THR CA C 61.987 0.000 1 404 81 81 THR N N 117.245 0.000 1 405 82 82 VAL H H 8.395 0.000 1 406 82 82 VAL HA H 4.113 0.000 1 407 82 82 VAL C C 176.216 0.001 1 408 82 82 VAL CA C 62.327 0.000 1 409 82 82 VAL N N 123.339 0.000 1 410 83 83 GLU H H 8.658 0.001 1 411 83 83 GLU HA H 4.255 0.000 1 412 83 83 GLU C C 177.094 0.003 1 413 83 83 GLU CA C 56.818 0.000 1 414 83 83 GLU N N 125.586 0.000 1 415 84 84 GLY H H 8.601 0.001 1 416 84 84 GLY HA2 H 3.951 0.000 1 417 84 84 GLY HA3 H 3.951 0.000 1 418 84 84 GLY C C 174.195 0.002 1 419 84 84 GLY CA C 45.247 0.000 1 420 84 84 GLY N N 110.840 0.000 1 421 85 85 ALA H H 8.339 0.000 1 422 85 85 ALA HA H 4.301 0.000 1 423 85 85 ALA C C 178.577 0.000 1 424 85 85 ALA CA C 52.926 0.000 1 425 85 85 ALA N N 124.047 0.000 1 426 86 86 GLY H H 8.575 0.001 1 427 86 86 GLY HA2 H 3.963 0.000 1 428 86 86 GLY HA3 H 3.963 0.000 1 429 86 86 GLY C C 174.337 0.005 1 430 86 86 GLY CA C 45.269 0.000 1 431 86 86 GLY N N 108.317 0.000 1 432 87 87 SER H H 8.221 0.001 1 433 87 87 SER HA H 4.457 0.001 1 434 87 87 SER C C 174.754 0.006 1 435 87 87 SER CA C 58.354 0.035 1 436 87 87 SER N N 115.814 0.000 1 437 88 88 ILE H H 8.275 0.000 1 438 88 88 ILE HA H 4.164 0.002 1 439 88 88 ILE C C 176.337 0.004 1 440 88 88 ILE CA C 61.282 0.037 1 441 88 88 ILE N N 122.979 0.000 1 442 89 89 ALA H H 8.433 0.001 1 443 89 89 ALA HA H 4.244 0.000 1 444 89 89 ALA C C 177.627 0.000 1 445 89 89 ALA CA C 52.614 0.000 1 446 89 89 ALA N N 128.312 0.000 1 447 90 90 ALA H H 8.299 0.001 1 448 90 90 ALA HA H 4.250 0.000 1 449 90 90 ALA C C 177.790 0.001 1 450 90 90 ALA CA C 52.440 0.000 1 451 90 90 ALA N N 123.542 0.000 1 452 91 91 ALA H H 8.375 0.001 1 453 91 91 ALA HA H 4.352 0.003 1 454 91 91 ALA C C 178.204 0.002 1 455 91 91 ALA CA C 52.614 0.010 1 456 91 91 ALA N N 123.628 0.000 1 457 92 92 THR H H 8.183 0.000 1 458 92 92 THR HA H 4.298 0.000 1 459 92 92 THR C C 175.214 0.004 1 460 92 92 THR CA C 62.043 0.000 1 461 92 92 THR N N 112.881 0.000 1 462 93 93 GLY H H 8.383 0.001 1 463 93 93 GLY HA2 H 3.907 0.000 1 464 93 93 GLY HA3 H 3.907 0.000 1 465 93 93 GLY C C 173.645 0.002 1 466 93 93 GLY CA C 45.143 0.000 1 467 93 93 GLY N N 110.839 0.000 1 468 94 94 PHE H H 8.164 0.001 1 469 94 94 PHE HA H 4.602 0.000 1 470 94 94 PHE C C 175.534 0.004 1 471 94 94 PHE CA C 57.865 0.014 1 472 94 94 PHE N N 120.466 0.000 1 473 95 95 VAL H H 8.133 0.003 1 474 95 95 VAL HA H 3.999 0.000 1 475 95 95 VAL C C 175.430 0.006 1 476 95 95 VAL CA C 62.015 0.000 1 477 95 95 VAL N N 124.140 0.000 1 478 96 96 LYS H H 8.482 0.002 1 479 96 96 LYS HA H 4.211 0.000 1 480 96 96 LYS C C 176.516 0.008 1 481 96 96 LYS CA C 56.460 0.000 1 482 96 96 LYS N N 126.687 0.000 1 483 97 97 LYS H H 8.558 0.000 1 484 97 97 LYS HA H 4.288 0.000 1 485 97 97 LYS C C 176.418 0.005 1 486 97 97 LYS CA C 56.487 0.000 1 487 97 97 LYS N N 124.033 0.000 1 488 98 98 ASP H H 8.482 0.002 1 489 98 98 ASP HA H 4.562 0.002 1 490 98 98 ASP C C 176.261 0.003 1 491 98 98 ASP CA C 54.409 0.027 1 492 98 98 ASP N N 121.428 0.000 1 493 99 99 GLN H H 8.427 0.001 1 494 99 99 GLN HA H 4.313 0.000 1 495 99 99 GLN C C 176.076 0.004 1 496 99 99 GLN CA C 55.879 0.000 1 497 99 99 GLN N N 120.375 0.000 1 498 100 100 LEU H H 8.381 0.002 1 499 100 100 LEU HA H 4.332 0.003 1 500 100 100 LEU C C 178.060 0.004 1 501 100 100 LEU CA C 55.352 0.032 1 502 100 100 LEU N N 123.043 0.000 1 503 101 101 GLY H H 8.559 0.001 1 504 101 101 GLY HA2 H 3.939 0.000 1 505 101 101 GLY HA3 H 3.939 0.000 1 506 101 101 GLY C C 174.124 0.003 1 507 101 101 GLY CA C 45.279 0.000 1 508 101 101 GLY N N 109.975 0.000 1 509 102 102 LYS H H 8.288 0.000 1 510 102 102 LYS HA H 4.306 0.000 1 511 102 102 LYS C C 176.526 0.003 1 512 102 102 LYS CA C 56.232 0.000 1 513 102 102 LYS N N 120.901 0.000 1 514 103 103 ASN H H 8.703 0.000 1 515 103 103 ASN HA H 4.691 0.002 1 516 103 103 ASN C C 175.359 0.004 1 517 103 103 ASN CA C 53.302 0.028 1 518 103 103 ASN N N 120.154 0.000 1 519 104 104 GLU H H 8.554 0.001 1 520 104 104 GLU HA H 4.295 0.000 1 521 104 104 GLU C C 176.603 0.003 1 522 104 104 GLU CA C 56.489 0.000 1 523 104 104 GLU N N 121.553 0.000 1 524 105 105 GLU H H 8.541 0.003 1 525 105 105 GLU C C 177.096 0.000 1 526 105 105 GLU CA C 56.520 0.000 1 527 105 105 GLU N N 122.001 0.000 1 528 106 106 GLY H H 8.513 0.001 1 529 106 106 GLY HA2 H 3.926 0.000 1 530 106 106 GLY HA3 H 3.926 0.000 1 531 106 106 GLY C C 173.476 0.002 1 532 106 106 GLY CA C 45.008 0.000 1 533 106 106 GLY N N 110.122 0.000 1 534 107 107 ALA H H 8.198 0.000 1 535 107 107 ALA N N 125.058 0.000 1 536 108 108 PRO HA H 4.429 0.008 1 537 108 108 PRO C C 177.086 0.006 1 538 108 108 PRO CA C 63.019 0.067 1 539 109 109 GLN H H 8.677 0.001 1 540 109 109 GLN HA H 4.297 0.000 1 541 109 109 GLN C C 176.040 0.001 1 542 109 109 GLN CA C 55.675 0.000 1 543 109 109 GLN N N 121.406 0.000 1 544 110 110 GLU H H 8.612 0.002 1 545 110 110 GLU HA H 4.287 0.000 1 546 110 110 GLU C C 176.797 0.003 1 547 110 110 GLU CA C 56.500 0.000 1 548 110 110 GLU N N 122.777 0.000 1 549 111 111 GLY H H 8.516 0.001 1 550 111 111 GLY HA2 H 3.944 0.000 1 551 111 111 GLY HA3 H 3.944 0.000 1 552 111 111 GLY C C 173.790 0.003 1 553 111 111 GLY CA C 45.242 0.000 1 554 111 111 GLY N N 110.168 0.000 1 555 112 112 ILE H H 8.084 0.001 1 556 112 112 ILE HA H 4.169 0.001 1 557 112 112 ILE C C 176.336 0.002 1 558 112 112 ILE CA C 60.876 0.033 1 559 112 112 ILE N N 120.339 0.000 1 560 113 113 LEU H H 8.500 0.001 1 561 113 113 LEU HA H 4.390 0.003 1 562 113 113 LEU C C 177.202 0.004 1 563 113 113 LEU CA C 54.980 0.011 1 564 113 113 LEU N N 127.346 0.000 1 565 114 114 GLU H H 8.504 0.003 1 566 114 114 GLU HA H 4.249 0.000 1 567 114 114 GLU C C 175.929 0.004 1 568 114 114 GLU CA C 56.429 0.000 1 569 114 114 GLU N N 122.348 0.000 1 570 115 115 ASP H H 8.444 0.001 1 571 115 115 ASP HA H 4.564 0.002 1 572 115 115 ASP C C 175.851 0.000 1 573 115 115 ASP CA C 54.290 0.013 1 574 115 115 ASP N N 121.663 0.000 1 575 116 116 MET H H 8.351 0.001 1 576 116 116 MET N N 122.231 0.000 1 577 117 117 PRO HA H 4.452 0.001 1 578 117 117 PRO C C 176.757 0.001 1 579 117 117 PRO CA C 62.877 0.022 1 580 118 118 VAL H H 8.399 0.002 1 581 118 118 VAL HA H 4.058 0.000 1 582 118 118 VAL C C 175.841 0.004 1 583 118 118 VAL CA C 61.924 0.000 1 584 118 118 VAL N N 121.080 0.000 1 585 119 119 ASP H H 8.619 0.003 1 586 119 119 ASP N N 126.307 0.000 1 587 120 120 PRO HA H 4.332 0.007 1 588 120 120 PRO C C 176.931 0.018 1 589 120 120 PRO CA C 63.431 0.033 1 590 121 121 ASP H H 8.455 0.000 1 591 121 121 ASP HA H 4.596 0.000 1 592 121 121 ASP C C 176.214 0.000 1 593 121 121 ASP CA C 54.492 0.041 1 594 121 121 ASP N N 119.468 0.000 1 595 122 122 ASN H H 8.187 0.002 1 596 122 122 ASN HA H 4.681 0.006 1 597 122 122 ASN C C 175.428 0.010 1 598 122 122 ASN CA C 53.390 0.050 1 599 122 122 ASN N N 119.282 0.000 1 600 123 123 GLU H H 8.457 0.001 1 601 123 123 GLU HA H 4.202 0.000 1 602 123 123 GLU C C 176.117 0.004 1 603 123 123 GLU CA C 56.244 0.000 1 604 123 123 GLU N N 121.958 0.000 1 605 124 124 ALA H H 8.312 0.002 1 606 124 124 ALA HA H 4.282 0.000 1 607 124 124 ALA C C 177.246 0.004 1 608 124 124 ALA CA C 52.307 0.000 1 609 124 124 ALA N N 124.635 0.000 1 610 125 125 TYR H H 8.121 0.001 1 611 125 125 TYR HA H 4.514 0.004 1 612 125 125 TYR C C 175.364 0.002 1 613 125 125 TYR CA C 57.755 0.029 1 614 125 125 TYR N N 120.311 0.000 1 615 126 126 GLU H H 8.206 0.000 1 616 126 126 GLU HA H 4.241 0.006 1 617 126 126 GLU C C 175.427 0.002 1 618 126 126 GLU CA C 55.549 0.012 1 619 126 126 GLU N N 124.188 0.000 1 620 127 127 MET H H 8.507 0.002 1 621 127 127 MET N N 124.185 0.000 1 622 128 128 PRO HA H 4.434 0.004 1 623 128 128 PRO C C 176.917 0.004 1 624 128 128 PRO CA C 63.004 0.053 1 625 129 129 SER H H 8.581 0.001 1 626 129 129 SER HA H 4.414 0.001 1 627 129 129 SER C C 174.841 0.006 1 628 129 129 SER CA C 58.239 0.026 1 629 129 129 SER N N 117.009 0.000 1 630 130 130 GLU H H 8.663 0.001 1 631 130 130 GLU HA H 4.320 0.000 1 632 130 130 GLU C C 176.507 0.023 1 633 130 130 GLU CA C 56.392 0.000 1 634 130 130 GLU N N 123.379 0.000 1 635 131 131 GLU H H 8.509 0.002 1 636 131 131 GLU HA H 4.244 0.000 1 637 131 131 GLU C C 177.012 0.004 1 638 131 131 GLU CA C 56.794 0.000 1 639 131 131 GLU N N 121.967 0.000 1 640 132 132 GLY H H 8.494 0.002 1 641 132 132 GLY HA2 H 3.895 0.000 1 642 132 132 GLY HA3 H 3.895 0.000 1 643 132 132 GLY C C 173.865 0.001 1 644 132 132 GLY CA C 45.124 0.000 1 645 132 132 GLY N N 110.102 0.000 1 646 133 133 TYR H H 8.146 0.002 1 647 133 133 TYR HA H 4.499 0.002 1 648 133 133 TYR C C 175.781 0.005 1 649 133 133 TYR CA C 58.124 0.003 1 650 133 133 TYR N N 120.477 0.000 1 651 134 134 GLN H H 8.289 0.000 1 652 134 134 GLN HA H 4.246 0.002 1 653 134 134 GLN C C 174.856 0.005 1 654 134 134 GLN CA C 55.334 0.020 1 655 134 134 GLN N N 122.949 0.000 1 656 135 135 ASP H H 8.311 0.000 1 657 135 135 ASP HA H 4.525 0.002 1 658 135 135 ASP C C 175.565 0.011 1 659 135 135 ASP CA C 54.199 0.031 1 660 135 135 ASP N N 121.872 0.000 1 661 136 136 TYR H H 8.122 0.002 1 662 136 136 TYR HA H 4.553 0.003 1 663 136 136 TYR C C 175.137 0.002 1 664 136 136 TYR CA C 57.563 0.025 1 665 136 136 TYR N N 120.661 0.000 1 666 137 137 GLU H H 8.338 0.000 1 667 137 137 GLU N N 125.631 0.000 1 668 138 138 PRO HA H 4.343 0.004 1 669 138 138 PRO C C 176.913 0.000 1 670 138 138 PRO CA C 62.857 0.037 1 671 139 139 GLU H H 8.602 0.000 1 672 139 139 GLU HA H 4.206 0.000 1 673 139 139 GLU C C 175.468 0.004 1 674 139 139 GLU CA C 56.574 0.000 1 675 139 139 GLU N N 121.772 0.000 1 676 140 140 ALA H H 8.089 0.000 1 677 140 140 ALA HA H 4.097 0.004 1 678 140 140 ALA C C 182.647 0.000 1 679 140 140 ALA CA C 53.797 0.000 1 680 140 140 ALA N N 131.126 0.000 1 stop_ save_ save_assigned_chem_shift_list_26 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_7.10 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.991 0.002 1 2 1 1 MET C C 173.648 0.000 1 3 1 1 MET CA C 55.196 0.000 1 4 2 2 ASP HA H 4.689 0.002 1 5 2 2 ASP C C 175.996 0.005 1 6 2 2 ASP CA C 54.196 0.024 1 7 3 3 VAL H H 8.326 0.000 1 8 3 3 VAL HA H 4.015 0.000 1 9 3 3 VAL C C 176.008 0.003 1 10 3 3 VAL CA C 62.617 0.000 1 11 3 3 VAL N N 120.581 0.000 1 12 4 4 PHE H H 8.422 0.002 1 13 4 4 PHE HA H 4.598 0.001 1 14 4 4 PHE C C 175.906 0.006 1 15 4 4 PHE CA C 57.951 0.051 1 16 4 4 PHE N N 123.729 0.000 1 17 5 5 MET H H 8.289 0.001 1 18 5 5 MET HA H 4.386 0.001 1 19 5 5 MET C C 176.005 0.001 1 20 5 5 MET CA C 55.293 0.065 1 21 5 5 MET N N 122.534 0.000 1 22 6 6 LYS H H 8.352 0.004 1 23 6 6 LYS HA H 4.199 0.003 1 24 6 6 LYS C C 177.213 0.003 1 25 6 6 LYS CA C 56.865 0.047 1 26 6 6 LYS N N 122.805 0.000 1 27 7 7 GLY H H 8.505 0.001 1 28 7 7 GLY HA2 H 3.940 0.000 1 29 7 7 GLY HA3 H 3.940 0.000 1 30 7 7 GLY C C 174.227 0.004 1 31 7 7 GLY CA C 45.274 0.000 1 32 7 7 GLY N N 110.109 0.000 1 33 8 8 LEU H H 8.135 0.001 1 34 8 8 LEU HA H 4.380 0.001 1 35 8 8 LEU C C 177.733 0.007 1 36 8 8 LEU CA C 55.126 0.043 1 37 8 8 LEU N N 121.664 0.000 1 38 9 9 SER H H 8.401 0.002 1 39 9 9 SER HA H 4.415 0.002 1 40 9 9 SER C C 174.613 0.003 1 41 9 9 SER CA C 58.361 0.068 1 42 9 9 SER N N 116.864 0.000 1 43 10 10 LYS H H 8.449 0.002 1 44 10 10 LYS HA H 4.365 0.000 1 45 10 10 LYS C C 176.752 0.004 1 46 10 10 LYS CA C 56.405 0.000 1 47 10 10 LYS N N 123.877 0.000 1 48 11 11 ALA H H 8.382 0.001 1 49 11 11 ALA HA H 4.247 0.000 1 50 11 11 ALA C C 177.986 0.005 1 51 11 11 ALA CA C 52.725 0.000 1 52 11 11 ALA N N 125.527 0.000 1 53 12 12 LYS H H 8.423 0.002 1 54 12 12 LYS HA H 4.266 0.000 1 55 12 12 LYS C C 176.776 0.005 1 56 12 12 LYS CA C 56.436 0.000 1 57 12 12 LYS N N 121.080 0.000 1 58 13 13 GLU H H 8.506 0.001 1 59 13 13 GLU C C 177.106 0.000 1 60 13 13 GLU CA C 56.768 0.000 1 61 13 13 GLU N N 122.381 0.000 1 62 14 14 GLY H H 8.542 0.001 1 63 14 14 GLY C C 174.082 0.000 1 64 14 14 GLY CA C 45.313 0.000 1 65 14 14 GLY N N 110.244 0.000 1 66 15 15 VAL H H 8.055 0.001 1 67 15 15 VAL HA H 4.086 0.000 1 68 15 15 VAL C C 176.562 0.000 1 69 15 15 VAL CA C 62.629 0.000 1 70 15 15 VAL N N 120.338 0.000 1 71 16 16 VAL H H 8.381 0.001 1 72 16 16 VAL C C 176.083 0.000 1 73 16 16 VAL CA C 62.550 0.000 1 74 16 16 VAL N N 125.527 0.000 1 75 17 17 ALA H H 8.532 0.002 1 76 17 17 ALA HA H 4.260 0.000 1 77 17 17 ALA C C 177.758 0.006 1 78 17 17 ALA CA C 52.629 0.000 1 79 17 17 ALA N N 128.653 0.000 1 80 18 18 ALA H H 8.398 0.002 1 81 18 18 ALA HA H 4.228 0.000 1 82 18 18 ALA C C 177.992 0.001 1 83 18 18 ALA CA C 52.770 0.000 1 84 18 18 ALA N N 123.845 0.000 1 85 19 19 ALA H H 8.356 0.002 1 86 19 19 ALA HA H 4.266 0.000 1 87 19 19 ALA C C 178.284 0.003 1 88 19 19 ALA CA C 52.847 0.000 1 89 19 19 ALA N N 123.311 0.000 1 90 20 20 GLU H H 8.406 0.001 1 91 20 20 GLU C C 177.009 0.000 1 92 20 20 GLU CA C 56.792 0.000 1 93 20 20 GLU N N 120.293 0.000 1 94 21 21 LYS H H 8.418 0.001 1 95 21 21 LYS HA H 4.319 0.000 1 96 21 21 LYS C C 177.245 0.000 1 97 21 21 LYS CA C 56.768 0.000 1 98 21 21 LYS N N 122.505 0.000 1 99 22 22 THR H H 8.219 0.003 1 100 22 22 THR HA H 4.271 0.000 1 101 22 22 THR C C 174.758 0.008 1 102 22 22 THR CA C 62.365 0.000 1 103 22 22 THR N N 115.578 0.000 1 104 23 23 LYS H H 8.431 0.001 1 105 23 23 LYS HA H 4.277 0.000 1 106 23 23 LYS C C 176.779 0.003 1 107 23 23 LYS CA C 56.806 0.000 1 108 23 23 LYS N N 123.959 0.000 1 109 24 24 GLN H H 8.508 0.002 1 110 24 24 GLN HA H 4.290 0.000 1 111 24 24 GLN C C 176.685 0.002 1 112 24 24 GLN CA C 56.308 0.000 1 113 24 24 GLN N N 122.335 0.000 1 114 25 25 GLY H H 8.558 0.002 1 115 25 25 GLY HA2 H 3.978 0.000 1 116 25 25 GLY HA3 H 3.978 0.000 1 117 25 25 GLY C C 174.332 0.001 1 118 25 25 GLY CA C 45.361 0.000 1 119 25 25 GLY N N 110.683 0.000 1 120 26 26 VAL H H 8.095 0.002 1 121 26 26 VAL HA H 4.065 0.000 1 122 26 26 VAL C C 176.483 0.003 1 123 26 26 VAL CA C 62.684 0.000 1 124 26 26 VAL N N 119.993 0.000 1 125 27 27 ALA H H 8.501 0.001 1 126 27 27 ALA HA H 4.283 0.000 1 127 27 27 ALA C C 178.241 0.001 1 128 27 27 ALA CA C 52.858 0.000 1 129 27 27 ALA N N 127.544 0.000 1 130 28 28 GLU H H 8.481 0.003 1 131 28 28 GLU HA H 4.194 0.000 1 132 28 28 GLU C C 176.759 0.009 1 133 28 28 GLU CA C 56.898 0.000 1 134 28 28 GLU N N 120.750 0.000 1 135 29 29 ALA H H 8.377 0.001 1 136 29 29 ALA HA H 4.262 0.000 1 137 29 29 ALA C C 177.838 0.001 1 138 29 29 ALA CA C 52.731 0.000 1 139 29 29 ALA N N 125.062 0.000 1 140 30 30 ALA H H 8.310 0.002 1 141 30 30 ALA HA H 4.287 0.000 1 142 30 30 ALA C C 178.552 0.001 1 143 30 30 ALA CA C 52.821 0.000 1 144 30 30 ALA N N 123.160 0.000 1 145 31 31 GLY H H 8.388 0.001 1 146 31 31 GLY HA2 H 3.925 0.000 1 147 31 31 GLY HA3 H 3.925 0.000 1 148 31 31 GLY C C 174.245 0.006 1 149 31 31 GLY CA C 45.328 0.000 1 150 31 31 GLY N N 107.900 0.000 1 151 32 32 LYS H H 8.180 0.003 1 152 32 32 LYS HA H 4.421 0.001 1 153 32 32 LYS C C 177.085 0.001 1 154 32 32 LYS CA C 56.247 0.012 1 155 32 32 LYS N N 120.820 0.000 1 156 33 33 THR H H 8.312 0.001 1 157 33 33 THR HA H 4.336 0.000 1 158 33 33 THR C C 174.724 0.003 1 159 33 33 THR CA C 61.990 0.000 1 160 33 33 THR N N 115.827 0.000 1 161 34 34 LYS H H 8.560 0.001 1 162 34 34 LYS C C 176.598 0.000 1 163 34 34 LYS CA C 56.565 0.000 1 164 34 34 LYS N N 124.033 0.000 1 165 35 35 GLU H H 8.536 0.004 1 166 35 35 GLU HA H 4.256 0.000 1 167 35 35 GLU C C 177.006 0.003 1 168 35 35 GLU CA C 56.521 0.000 1 169 35 35 GLU N N 122.230 0.000 1 170 36 36 GLY H H 8.514 0.001 1 171 36 36 GLY HA2 H 3.952 0.000 1 172 36 36 GLY HA3 H 3.952 0.000 1 173 36 36 GLY C C 174.066 0.009 1 174 36 36 GLY CA C 45.259 0.000 1 175 36 36 GLY N N 110.364 0.000 1 176 37 37 VAL H H 7.988 0.001 1 177 37 37 VAL HA H 4.059 0.000 1 178 37 37 VAL C C 176.020 0.001 1 179 37 37 VAL CA C 62.379 0.000 1 180 37 37 VAL N N 119.744 0.000 1 181 38 38 LEU H H 8.371 0.002 1 182 38 38 LEU HA H 4.345 0.001 1 183 38 38 LEU C C 176.714 0.000 1 184 38 38 LEU CA C 54.953 0.035 1 185 38 38 LEU N N 126.048 0.000 1 186 39 39 TYR H H 8.360 0.002 1 187 39 39 TYR HA H 4.580 0.002 1 188 39 39 TYR C C 175.624 0.005 1 189 39 39 TYR CA C 57.913 0.036 1 190 39 39 TYR N N 122.731 0.000 1 191 40 40 VAL H H 8.157 0.000 1 192 40 40 VAL HA H 4.050 0.000 1 193 40 40 VAL C C 176.168 0.008 1 194 40 40 VAL CA C 62.196 0.000 1 195 40 40 VAL N N 123.700 0.000 1 196 41 41 GLY H H 8.104 0.001 1 197 41 41 GLY HA2 H 3.930 0.000 1 198 41 41 GLY HA3 H 3.930 0.000 1 199 41 41 GLY C C 173.974 0.003 1 200 41 41 GLY CA C 45.170 0.000 1 201 41 41 GLY N N 112.293 0.000 1 202 42 42 SER H H 8.335 0.003 1 203 42 42 SER HA H 4.441 0.001 1 204 42 42 SER C C 174.812 0.005 1 205 42 42 SER CA C 58.339 0.062 1 206 42 42 SER N N 115.676 0.000 1 207 43 43 LYS H H 8.560 0.001 1 208 43 43 LYS HA H 4.427 0.005 1 209 43 43 LYS C C 176.932 0.007 1 210 43 43 LYS CA C 56.407 0.025 1 211 43 43 LYS N N 123.557 0.000 1 212 44 44 THR H H 8.264 0.004 1 213 44 44 THR HA H 4.311 0.000 1 214 44 44 THR C C 174.638 0.010 1 215 44 44 THR CA C 61.952 0.000 1 216 44 44 THR N N 115.763 0.000 1 217 45 45 LYS H H 8.520 0.003 1 218 45 45 LYS HA H 4.293 0.000 1 219 45 45 LYS C C 176.584 0.009 1 220 45 45 LYS CA C 56.488 0.000 1 221 45 45 LYS N N 123.992 0.000 1 222 46 46 GLU H H 8.539 0.004 1 223 46 46 GLU HA H 4.255 0.000 1 224 46 46 GLU C C 177.008 0.003 1 225 46 46 GLU CA C 56.541 0.000 1 226 46 46 GLU N N 122.380 0.000 1 227 47 47 GLY H H 8.513 0.001 1 228 47 47 GLY HA2 H 3.908 0.000 1 229 47 47 GLY HA3 H 3.908 0.000 1 230 47 47 GLY C C 173.880 0.016 1 231 47 47 GLY CA C 45.196 0.000 1 232 47 47 GLY N N 110.374 0.000 1 233 48 48 VAL H H 7.990 0.001 1 234 48 48 VAL HA H 4.072 0.000 1 235 48 48 VAL C C 176.083 0.002 1 236 48 48 VAL CA C 62.271 0.000 1 237 48 48 VAL N N 120.127 0.000 1 238 49 49 VAL H H 8.382 0.003 1 239 49 49 VAL HA H 4.059 0.000 1 240 49 49 VAL C C 175.969 0.051 1 241 49 49 VAL CA C 62.210 0.000 1 242 49 49 VAL N N 125.455 0.000 1 243 50 50 HIS H H 8.600 0.002 1 244 50 50 HIS HA H 4.631 0.003 1 245 50 50 HIS C C 175.779 0.002 1 246 50 50 HIS CA C 56.193 0.000 1 247 50 50 HIS N N 124.922 0.000 1 248 51 51 GLY H H 8.482 0.000 1 249 51 51 GLY HA2 H 3.975 0.000 1 250 51 51 GLY HA3 H 3.975 0.000 1 251 51 51 GLY C C 173.806 0.020 1 252 51 51 GLY CA C 45.167 0.000 1 253 52 52 VAL H H 8.121 0.002 1 254 52 52 VAL HA H 4.133 0.003 1 255 52 52 VAL C C 176.004 0.002 1 256 52 52 VAL CA C 62.005 0.031 1 257 52 52 VAL N N 119.759 0.000 1 258 53 53 ALA H H 8.573 0.000 1 259 53 53 ALA HA H 4.401 0.002 1 260 53 53 ALA C C 177.904 0.000 1 261 53 53 ALA CA C 52.398 0.003 1 262 53 53 ALA N N 128.421 0.000 1 263 54 54 THR H H 8.313 0.002 1 264 54 54 THR HA H 4.313 0.000 1 265 54 54 THR C C 174.591 0.000 1 266 54 54 THR CA C 61.897 0.000 1 267 54 54 THR N N 115.170 0.000 1 268 55 55 VAL H H 8.334 0.002 1 269 55 55 VAL HA H 4.077 0.000 1 270 55 55 VAL C C 175.916 0.003 1 271 55 55 VAL CA C 62.422 0.000 1 272 55 55 VAL N N 123.401 0.000 1 273 56 56 ALA H H 8.511 0.001 1 274 56 56 ALA HA H 4.281 0.000 1 275 56 56 ALA C C 177.852 0.001 1 276 56 56 ALA CA C 52.538 0.000 1 277 56 56 ALA N N 128.329 0.000 1 278 57 57 GLU H H 8.458 0.001 1 279 57 57 GLU C C 176.767 0.000 1 280 57 57 GLU CA C 56.557 0.000 1 281 57 57 GLU N N 121.102 0.000 1 282 58 58 LYS H H 8.522 0.002 1 283 58 58 LYS HA H 4.354 0.000 1 284 58 58 LYS C C 177.036 0.003 1 285 58 58 LYS CA C 56.824 0.000 1 286 58 58 LYS N N 123.081 0.000 1 287 59 59 THR H H 8.304 0.004 1 288 59 59 THR HA H 4.274 0.000 1 289 59 59 THR C C 174.687 0.002 1 290 59 59 THR CA C 62.219 0.000 1 291 59 59 THR N N 116.252 0.000 1 292 60 60 LYS H H 8.475 0.000 1 293 60 60 LYS HA H 4.283 0.000 1 294 60 60 LYS C C 176.795 0.007 1 295 60 60 LYS CA C 56.682 0.000 1 296 60 60 LYS N N 123.884 0.000 1 297 61 61 GLU H H 8.515 0.002 1 298 61 61 GLU C C 176.591 0.000 1 299 61 61 GLU CA C 56.602 0.000 1 300 61 61 GLU N N 122.377 0.000 1 301 62 62 GLN H H 8.523 0.000 1 302 62 62 GLN HA H 4.337 0.000 1 303 62 62 GLN C C 176.026 0.005 1 304 62 62 GLN CA C 55.816 0.000 1 305 62 62 GLN N N 122.375 0.000 1 306 63 63 VAL H H 8.373 0.001 1 307 63 63 VAL HA H 4.188 0.003 1 308 63 63 VAL C C 176.418 0.001 1 309 63 63 VAL CA C 62.353 0.035 1 310 63 63 VAL N N 122.225 0.000 1 311 64 64 THR H H 8.389 0.000 1 312 64 64 THR HA H 4.361 0.000 1 313 64 64 THR C C 174.093 0.007 1 314 64 64 THR CA C 61.857 0.000 1 315 64 64 THR N N 118.366 0.000 1 316 65 65 ASN H H 8.601 0.002 1 317 65 65 ASN HA H 4.776 0.007 1 318 65 65 ASN C C 175.315 0.002 1 319 65 65 ASN CA C 53.090 0.017 1 320 65 65 ASN N N 121.999 0.000 1 321 66 66 VAL H H 8.327 0.000 1 322 66 66 VAL HA H 4.117 0.000 1 323 66 66 VAL C C 176.940 0.002 1 324 66 66 VAL CA C 62.666 0.039 1 325 66 66 VAL N N 120.957 0.000 1 326 67 67 GLY H H 8.637 0.001 1 327 67 67 GLY HA2 H 3.969 0.000 1 328 67 67 GLY HA3 H 3.969 0.000 1 329 67 67 GLY C C 174.714 0.003 1 330 67 67 GLY CA C 45.365 0.000 1 331 67 67 GLY N N 112.799 0.000 1 332 68 68 GLY H H 8.305 0.003 1 333 68 68 GLY HA2 H 3.942 0.000 1 334 68 68 GLY HA3 H 3.942 0.000 1 335 68 68 GLY C C 173.773 0.000 1 336 68 68 GLY CA C 45.016 0.000 1 337 68 68 GLY N N 108.929 0.000 1 338 69 69 ALA H H 8.240 0.001 1 339 69 69 ALA HA H 4.345 0.000 1 340 69 69 ALA C C 177.725 0.002 1 341 69 69 ALA CA C 52.317 0.022 1 342 69 69 ALA N N 123.875 0.000 1 343 70 70 VAL H H 8.306 0.001 1 344 70 70 VAL HA H 4.087 0.000 1 345 70 70 VAL C C 176.409 0.005 1 346 70 70 VAL CA C 62.435 0.000 1 347 70 70 VAL N N 120.776 0.000 1 348 71 71 VAL H H 8.485 0.003 1 349 71 71 VAL HA H 4.214 0.003 1 350 71 71 VAL C C 176.355 0.000 1 351 71 71 VAL CA C 62.118 0.024 1 352 71 71 VAL N N 125.760 0.000 1 353 72 72 THR H H 8.396 0.003 1 354 72 72 THR HA H 4.360 0.000 1 355 72 72 THR C C 174.952 0.002 1 356 72 72 THR CA C 61.870 0.000 1 357 72 72 THR N N 118.976 0.000 1 358 73 73 GLY H H 8.519 0.001 1 359 73 73 GLY HA2 H 3.987 0.000 1 360 73 73 GLY HA3 H 3.987 0.000 1 361 73 73 GLY C C 174.046 0.003 1 362 73 73 GLY CA C 45.211 0.000 1 363 73 73 GLY N N 111.525 0.000 1 364 74 74 VAL H H 8.164 0.002 1 365 74 74 VAL HA H 4.187 0.003 1 366 74 74 VAL C C 176.627 0.001 1 367 74 74 VAL CA C 62.335 0.017 1 368 74 74 VAL N N 119.711 0.000 1 369 75 75 THR H H 8.389 0.002 1 370 75 75 THR HA H 4.308 0.000 1 371 75 75 THR C C 174.113 0.002 1 372 75 75 THR CA C 61.983 0.000 1 373 75 75 THR N N 119.332 0.000 1 374 76 76 ALA H H 8.460 0.003 1 375 76 76 ALA HA H 4.340 0.001 1 376 76 76 ALA C C 177.628 0.001 1 377 76 76 ALA CA C 52.438 0.004 1 378 76 76 ALA N N 127.675 0.000 1 379 77 77 VAL H H 8.238 0.003 1 380 77 77 VAL HA H 4.054 0.000 1 381 77 77 VAL C C 176.077 0.003 1 382 77 77 VAL CA C 62.261 0.000 1 383 77 77 VAL N N 120.393 0.000 1 384 78 78 ALA H H 8.496 0.001 1 385 78 78 ALA HA H 4.286 0.000 1 386 78 78 ALA C C 177.702 0.001 1 387 78 78 ALA CA C 52.490 0.000 1 388 78 78 ALA N N 128.442 0.000 1 389 79 79 GLN H H 8.482 0.001 1 390 79 79 GLN HA H 4.285 0.000 1 391 79 79 GLN C C 176.014 0.001 1 392 79 79 GLN CA C 55.675 0.000 1 393 79 79 GLN N N 120.562 0.000 1 394 80 80 LYS H H 8.520 0.001 1 395 80 80 LYS HA H 4.365 0.000 1 396 80 80 LYS C C 176.750 0.004 1 397 80 80 LYS CA C 56.341 0.000 1 398 80 80 LYS N N 123.539 0.000 1 399 81 81 THR H H 8.381 0.001 1 400 81 81 THR HA H 4.339 0.000 1 401 81 81 THR C C 174.483 0.003 1 402 81 81 THR CA C 61.987 0.000 1 403 81 81 THR N N 117.236 0.000 1 404 82 82 VAL H H 8.395 0.000 1 405 82 82 VAL HA H 4.114 0.000 1 406 82 82 VAL C C 176.218 0.001 1 407 82 82 VAL CA C 62.323 0.000 1 408 82 82 VAL N N 123.339 0.000 1 409 83 83 GLU H H 8.658 0.001 1 410 83 83 GLU HA H 4.257 0.000 1 411 83 83 GLU C C 177.094 0.002 1 412 83 83 GLU CA C 56.815 0.000 1 413 83 83 GLU N N 125.575 0.000 1 414 84 84 GLY H H 8.602 0.001 1 415 84 84 GLY HA2 H 3.951 0.000 1 416 84 84 GLY HA3 H 3.951 0.000 1 417 84 84 GLY C C 174.197 0.004 1 418 84 84 GLY CA C 45.247 0.000 1 419 84 84 GLY N N 110.898 0.000 1 420 85 85 ALA H H 8.339 0.001 1 421 85 85 ALA HA H 4.301 0.000 1 422 85 85 ALA C C 178.577 0.000 1 423 85 85 ALA CA C 52.925 0.000 1 424 85 85 ALA N N 124.047 0.000 1 425 86 86 GLY H H 8.576 0.001 1 426 86 86 GLY HA2 H 3.965 0.000 1 427 86 86 GLY HA3 H 3.965 0.000 1 428 86 86 GLY C C 174.343 0.005 1 429 86 86 GLY CA C 45.262 0.000 1 430 86 86 GLY N N 108.320 0.000 1 431 87 87 SER H H 8.221 0.002 1 432 87 87 SER HA H 4.458 0.001 1 433 87 87 SER C C 174.758 0.003 1 434 87 87 SER CA C 58.354 0.025 1 435 87 87 SER N N 115.825 0.000 1 436 88 88 ILE H H 8.274 0.000 1 437 88 88 ILE HA H 4.165 0.002 1 438 88 88 ILE C C 176.338 0.004 1 439 88 88 ILE CA C 61.276 0.032 1 440 88 88 ILE N N 122.979 0.000 1 441 89 89 ALA H H 8.433 0.001 1 442 89 89 ALA HA H 4.246 0.000 1 443 89 89 ALA C C 177.629 0.001 1 444 89 89 ALA CA C 52.614 0.000 1 445 89 89 ALA N N 128.312 0.000 1 446 90 90 ALA H H 8.299 0.001 1 447 90 90 ALA HA H 4.250 0.000 1 448 90 90 ALA C C 177.789 0.001 1 449 90 90 ALA CA C 52.447 0.000 1 450 90 90 ALA N N 123.542 0.000 1 451 91 91 ALA H H 8.376 0.001 1 452 91 91 ALA HA H 4.353 0.003 1 453 91 91 ALA C C 178.207 0.002 1 454 91 91 ALA CA C 52.614 0.010 1 455 91 91 ALA N N 123.623 0.000 1 456 92 92 THR H H 8.181 0.001 1 457 92 92 THR HA H 4.298 0.000 1 458 92 92 THR C C 175.216 0.002 1 459 92 92 THR CA C 62.043 0.000 1 460 92 92 THR N N 112.871 0.000 1 461 93 93 GLY H H 8.386 0.002 1 462 93 93 GLY HA2 H 3.908 0.000 1 463 93 93 GLY HA3 H 3.908 0.000 1 464 93 93 GLY C C 173.647 0.005 1 465 93 93 GLY CA C 45.143 0.000 1 466 93 93 GLY N N 110.864 0.000 1 467 94 94 PHE H H 8.164 0.001 1 468 94 94 PHE HA H 4.602 0.003 1 469 94 94 PHE C C 175.536 0.002 1 470 94 94 PHE CA C 57.875 0.024 1 471 94 94 PHE N N 120.466 0.000 1 472 95 95 VAL H H 8.133 0.001 1 473 95 95 VAL HA H 4.000 0.000 1 474 95 95 VAL C C 175.431 0.007 1 475 95 95 VAL CA C 62.015 0.000 1 476 95 95 VAL N N 124.139 0.000 1 477 96 96 LYS H H 8.480 0.001 1 478 96 96 LYS HA H 4.211 0.000 1 479 96 96 LYS C C 176.517 0.010 1 480 96 96 LYS CA C 56.460 0.000 1 481 96 96 LYS N N 126.670 0.000 1 482 97 97 LYS H H 8.557 0.002 1 483 97 97 LYS HA H 4.289 0.000 1 484 97 97 LYS C C 176.418 0.006 1 485 97 97 LYS CA C 56.495 0.000 1 486 97 97 LYS N N 124.033 0.000 1 487 98 98 ASP H H 8.482 0.003 1 488 98 98 ASP HA H 4.562 0.002 1 489 98 98 ASP C C 176.260 0.003 1 490 98 98 ASP CA C 54.410 0.029 1 491 98 98 ASP N N 121.412 0.000 1 492 99 99 GLN H H 8.426 0.000 1 493 99 99 GLN HA H 4.313 0.000 1 494 99 99 GLN C C 176.077 0.004 1 495 99 99 GLN CA C 55.879 0.000 1 496 99 99 GLN N N 120.336 0.000 1 497 100 100 LEU H H 8.380 0.002 1 498 100 100 LEU HA H 4.334 0.002 1 499 100 100 LEU C C 178.061 0.003 1 500 100 100 LEU CA C 55.357 0.029 1 501 100 100 LEU N N 123.043 0.000 1 502 101 101 GLY H H 8.558 0.000 1 503 101 101 GLY HA2 H 3.939 0.000 1 504 101 101 GLY HA3 H 3.939 0.000 1 505 101 101 GLY C C 174.125 0.002 1 506 101 101 GLY CA C 45.279 0.000 1 507 101 101 GLY N N 109.978 0.000 1 508 102 102 LYS H H 8.288 0.001 1 509 102 102 LYS HA H 4.306 0.000 1 510 102 102 LYS C C 176.526 0.003 1 511 102 102 LYS CA C 56.210 0.000 1 512 102 102 LYS N N 120.901 0.000 1 513 103 103 ASN H H 8.707 0.005 1 514 103 103 ASN HA H 4.689 0.002 1 515 103 103 ASN C C 175.363 0.001 1 516 103 103 ASN CA C 53.295 0.020 1 517 103 103 ASN N N 120.150 0.000 1 518 104 104 GLU H H 8.554 0.001 1 519 104 104 GLU HA H 4.295 0.000 1 520 104 104 GLU C C 176.603 0.003 1 521 104 104 GLU CA C 56.489 0.000 1 522 104 104 GLU N N 121.553 0.000 1 523 105 105 GLU H H 8.541 0.003 1 524 105 105 GLU C C 177.098 0.000 1 525 105 105 GLU CA C 56.520 0.000 1 526 105 105 GLU N N 122.054 0.000 1 527 106 106 GLY H H 8.513 0.002 1 528 106 106 GLY HA2 H 3.928 0.000 1 529 106 106 GLY HA3 H 3.928 0.000 1 530 106 106 GLY C C 173.478 0.004 1 531 106 106 GLY CA C 44.989 0.000 1 532 106 106 GLY N N 110.122 0.000 1 533 107 107 ALA H H 8.198 0.000 1 534 107 107 ALA N N 125.055 0.000 1 535 108 108 PRO HA H 4.431 0.009 1 536 108 108 PRO C C 177.091 0.005 1 537 108 108 PRO CA C 63.014 0.055 1 538 109 109 GLN H H 8.676 0.001 1 539 109 109 GLN HA H 4.298 0.000 1 540 109 109 GLN C C 176.039 0.003 1 541 109 109 GLN CA C 55.686 0.000 1 542 109 109 GLN N N 121.406 0.000 1 543 110 110 GLU H H 8.611 0.001 1 544 110 110 GLU HA H 4.287 0.000 1 545 110 110 GLU C C 176.797 0.003 1 546 110 110 GLU CA C 56.500 0.000 1 547 110 110 GLU N N 122.777 0.000 1 548 111 111 GLY H H 8.516 0.001 1 549 111 111 GLY HA2 H 3.944 0.000 1 550 111 111 GLY HA3 H 3.944 0.000 1 551 111 111 GLY C C 173.793 0.000 1 552 111 111 GLY CA C 45.242 0.000 1 553 111 111 GLY N N 110.168 0.000 1 554 112 112 ILE H H 8.083 0.002 1 555 112 112 ILE HA H 4.169 0.001 1 556 112 112 ILE C C 176.336 0.002 1 557 112 112 ILE CA C 60.888 0.037 1 558 112 112 ILE N N 120.346 0.000 1 559 113 113 LEU H H 8.499 0.002 1 560 113 113 LEU HA H 4.390 0.001 1 561 113 113 LEU C C 177.205 0.005 1 562 113 113 LEU CA C 54.978 0.013 1 563 113 113 LEU N N 127.344 0.000 1 564 114 114 GLU H H 8.505 0.003 1 565 114 114 GLU HA H 4.251 0.000 1 566 114 114 GLU C C 175.934 0.002 1 567 114 114 GLU CA C 56.436 0.000 1 568 114 114 GLU N N 122.348 0.000 1 569 115 115 ASP H H 8.443 0.002 1 570 115 115 ASP HA H 4.564 0.002 1 571 115 115 ASP C C 175.846 0.003 1 572 115 115 ASP CA C 54.285 0.018 1 573 115 115 ASP N N 121.657 0.000 1 574 116 116 MET H H 8.349 0.002 1 575 116 116 MET N N 122.231 0.000 1 576 117 117 PRO HA H 4.453 0.000 1 577 117 117 PRO C C 176.758 0.003 1 578 117 117 PRO CA C 62.880 0.023 1 579 118 118 VAL H H 8.399 0.001 1 580 118 118 VAL HA H 4.062 0.000 1 581 118 118 VAL C C 175.844 0.003 1 582 118 118 VAL CA C 61.928 0.000 1 583 118 118 VAL N N 121.120 0.000 1 584 119 119 ASP H H 8.618 0.003 1 585 119 119 ASP N N 126.286 0.000 1 586 120 120 PRO HA H 4.333 0.008 1 587 120 120 PRO C C 176.933 0.017 1 588 120 120 PRO CA C 63.441 0.033 1 589 121 121 ASP H H 8.454 0.002 1 590 121 121 ASP HA H 4.598 0.001 1 591 121 121 ASP C C 176.214 0.001 1 592 121 121 ASP CA C 54.511 0.029 1 593 121 121 ASP N N 119.458 0.000 1 594 122 122 ASN H H 8.188 0.001 1 595 122 122 ASN HA H 4.684 0.003 1 596 122 122 ASN C C 175.423 0.014 1 597 122 122 ASN CA C 53.393 0.053 1 598 122 122 ASN N N 119.292 0.000 1 599 123 123 GLU H H 8.456 0.001 1 600 123 123 GLU HA H 4.204 0.000 1 601 123 123 GLU C C 176.120 0.002 1 602 123 123 GLU CA C 56.259 0.000 1 603 123 123 GLU N N 121.958 0.000 1 604 124 124 ALA H H 8.310 0.000 1 605 124 124 ALA HA H 4.284 0.000 1 606 124 124 ALA C C 177.250 0.003 1 607 124 124 ALA CA C 52.304 0.000 1 608 124 124 ALA N N 124.642 0.000 1 609 125 125 TYR H H 8.118 0.000 1 610 125 125 TYR HA H 4.516 0.004 1 611 125 125 TYR C C 175.369 0.006 1 612 125 125 TYR CA C 57.761 0.028 1 613 125 125 TYR N N 120.302 0.000 1 614 126 126 GLU H H 8.207 0.000 1 615 126 126 GLU HA H 4.244 0.003 1 616 126 126 GLU C C 175.428 0.003 1 617 126 126 GLU CA C 55.547 0.012 1 618 126 126 GLU N N 124.195 0.000 1 619 127 127 MET H H 8.509 0.000 1 620 127 127 MET N N 124.186 0.000 1 621 128 128 PRO HA H 4.436 0.004 1 622 128 128 PRO C C 176.919 0.006 1 623 128 128 PRO CA C 62.989 0.031 1 624 129 129 SER H H 8.582 0.001 1 625 129 129 SER HA H 4.415 0.000 1 626 129 129 SER C C 174.846 0.003 1 627 129 129 SER CA C 58.242 0.029 1 628 129 129 SER N N 117.018 0.000 1 629 130 130 GLU H H 8.662 0.001 1 630 130 130 GLU HA H 4.320 0.000 1 631 130 130 GLU C C 176.507 0.023 1 632 130 130 GLU CA C 56.392 0.000 1 633 130 130 GLU N N 123.379 0.000 1 634 131 131 GLU H H 8.509 0.002 1 635 131 131 GLU HA H 4.244 0.000 1 636 131 131 GLU C C 177.022 0.012 1 637 131 131 GLU CA C 56.794 0.000 1 638 131 131 GLU N N 121.933 0.000 1 639 132 132 GLY H H 8.496 0.002 1 640 132 132 GLY HA2 H 3.895 0.000 1 641 132 132 GLY HA3 H 3.895 0.000 1 642 132 132 GLY C C 173.868 0.005 1 643 132 132 GLY CA C 45.124 0.000 1 644 132 132 GLY N N 110.102 0.000 1 645 133 133 TYR H H 8.146 0.002 1 646 133 133 TYR HA H 4.501 0.002 1 647 133 133 TYR C C 175.787 0.002 1 648 133 133 TYR CA C 58.115 0.006 1 649 133 133 TYR N N 120.477 0.000 1 650 134 134 GLN H H 8.289 0.000 1 651 134 134 GLN HA H 4.247 0.002 1 652 134 134 GLN C C 174.866 0.003 1 653 134 134 GLN CA C 55.338 0.009 1 654 134 134 GLN N N 122.949 0.000 1 655 135 135 ASP H H 8.310 0.002 1 656 135 135 ASP HA H 4.527 0.003 1 657 135 135 ASP C C 175.572 0.000 1 658 135 135 ASP CA C 54.203 0.023 1 659 135 135 ASP N N 121.873 0.000 1 660 136 136 TYR H H 8.121 0.001 1 661 136 136 TYR HA H 4.555 0.003 1 662 136 136 TYR C C 175.137 0.003 1 663 136 136 TYR CA C 57.553 0.030 1 664 136 136 TYR N N 120.654 0.000 1 665 137 137 GLU H H 8.337 0.001 1 666 137 137 GLU N N 125.631 0.000 1 667 138 138 PRO HA H 4.345 0.004 1 668 138 138 PRO C C 176.917 0.003 1 669 138 138 PRO CA C 62.858 0.039 1 670 139 139 GLU H H 8.602 0.002 1 671 139 139 GLU HA H 4.207 0.000 1 672 139 139 GLU C C 175.471 0.001 1 673 139 139 GLU CA C 56.579 0.000 1 674 139 139 GLU N N 121.770 0.000 1 675 140 140 ALA H H 8.088 0.002 1 676 140 140 ALA HA H 4.098 0.003 1 677 140 140 ALA C C 182.650 0.000 1 678 140 140 ALA CA C 53.795 0.000 1 679 140 140 ALA N N 131.126 0.000 1 stop_ save_ save_assigned_chem_shift_list_27 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D HN(CO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_7.34 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.955 0.000 1 2 1 1 MET CA C 55.259 0.000 1 3 2 2 ASP HA H 4.681 0.001 1 4 2 2 ASP C C 176.038 0.006 1 5 2 2 ASP CA C 54.198 0.027 1 6 3 3 VAL H H 8.316 0.003 1 7 3 3 VAL HA H 4.014 0.000 1 8 3 3 VAL C C 176.022 0.001 1 9 3 3 VAL CA C 62.643 0.000 1 10 3 3 VAL N N 120.538 0.000 1 11 4 4 PHE H H 8.419 0.001 1 12 4 4 PHE HA H 4.596 0.002 1 13 4 4 PHE C C 175.913 0.008 1 14 4 4 PHE CA C 57.988 0.051 1 15 4 4 PHE N N 123.691 0.000 1 16 5 5 MET H H 8.286 0.002 1 17 5 5 MET HA H 4.386 0.001 1 18 5 5 MET C C 176.013 0.007 1 19 5 5 MET CA C 55.312 0.083 1 20 5 5 MET N N 122.463 0.000 1 21 6 6 LYS H H 8.352 0.004 1 22 6 6 LYS HA H 4.200 0.002 1 23 6 6 LYS C C 177.216 0.007 1 24 6 6 LYS CA C 56.865 0.047 1 25 6 6 LYS N N 122.759 0.000 1 26 7 7 GLY H H 8.507 0.001 1 27 7 7 GLY HA2 H 3.939 0.000 1 28 7 7 GLY HA3 H 3.939 0.000 1 29 7 7 GLY C C 174.230 0.006 1 30 7 7 GLY CA C 45.274 0.000 1 31 7 7 GLY N N 110.142 0.000 1 32 8 8 LEU H H 8.133 0.002 1 33 8 8 LEU HA H 4.380 0.001 1 34 8 8 LEU C C 177.731 0.005 1 35 8 8 LEU CA C 55.114 0.032 1 36 8 8 LEU N N 121.655 0.000 1 37 9 9 SER H H 8.404 0.006 1 38 9 9 SER HA H 4.412 0.003 1 39 9 9 SER C C 174.620 0.005 1 40 9 9 SER CA C 58.371 0.083 1 41 9 9 SER N N 116.890 0.000 1 42 10 10 LYS H H 8.448 0.002 1 43 10 10 LYS HA H 4.364 0.000 1 44 10 10 LYS C C 176.752 0.004 1 45 10 10 LYS CA C 56.405 0.000 1 46 10 10 LYS N N 123.877 0.000 1 47 11 11 ALA H H 8.382 0.001 1 48 11 11 ALA HA H 4.247 0.000 1 49 11 11 ALA C C 177.986 0.006 1 50 11 11 ALA CA C 52.725 0.000 1 51 11 11 ALA N N 125.527 0.000 1 52 12 12 LYS H H 8.420 0.002 1 53 12 12 LYS HA H 4.266 0.000 1 54 12 12 LYS C C 176.776 0.005 1 55 12 12 LYS CA C 56.436 0.000 1 56 12 12 LYS N N 121.120 0.000 1 57 13 13 GLU H H 8.506 0.001 1 58 13 13 GLU C C 177.096 0.000 1 59 13 13 GLU CA C 56.768 0.000 1 60 13 13 GLU N N 122.381 0.000 1 61 14 14 GLY H H 8.545 0.003 1 62 14 14 GLY C C 174.080 0.000 1 63 14 14 GLY CA C 45.308 0.000 1 64 14 14 GLY N N 110.230 0.000 1 65 15 15 VAL H H 8.054 0.001 1 66 15 15 VAL HA H 4.084 0.000 1 67 15 15 VAL C C 176.561 0.003 1 68 15 15 VAL CA C 62.643 0.000 1 69 15 15 VAL N N 120.338 0.000 1 70 16 16 VAL H H 8.380 0.001 1 71 16 16 VAL C C 176.084 0.000 1 72 16 16 VAL CA C 62.550 0.000 1 73 16 16 VAL N N 125.527 0.000 1 74 17 17 ALA H H 8.533 0.001 1 75 17 17 ALA HA H 4.260 0.000 1 76 17 17 ALA C C 177.755 0.003 1 77 17 17 ALA CA C 52.629 0.000 1 78 17 17 ALA N N 128.634 0.000 1 79 18 18 ALA H H 8.398 0.002 1 80 18 18 ALA HA H 4.228 0.000 1 81 18 18 ALA C C 177.991 0.002 1 82 18 18 ALA CA C 52.770 0.000 1 83 18 18 ALA N N 123.851 0.000 1 84 19 19 ALA H H 8.359 0.002 1 85 19 19 ALA HA H 4.264 0.000 1 86 19 19 ALA C C 178.285 0.005 1 87 19 19 ALA CA C 52.847 0.000 1 88 19 19 ALA N N 123.270 0.000 1 89 20 20 GLU H H 8.406 0.000 1 90 20 20 GLU C C 177.010 0.000 1 91 20 20 GLU CA C 56.796 0.000 1 92 20 20 GLU N N 120.293 0.000 1 93 21 21 LYS H H 8.417 0.000 1 94 21 21 LYS HA H 4.323 0.000 1 95 21 21 LYS C C 177.245 0.000 1 96 21 21 LYS CA C 56.778 0.000 1 97 21 21 LYS N N 122.497 0.000 1 98 22 22 THR H H 8.220 0.004 1 99 22 22 THR HA H 4.269 0.000 1 100 22 22 THR C C 174.760 0.001 1 101 22 22 THR CA C 62.358 0.000 1 102 22 22 THR N N 115.568 0.000 1 103 23 23 LYS H H 8.431 0.000 1 104 23 23 LYS HA H 4.277 0.000 1 105 23 23 LYS C C 176.779 0.003 1 106 23 23 LYS CA C 56.806 0.000 1 107 23 23 LYS N N 123.959 0.000 1 108 24 24 GLN H H 8.508 0.002 1 109 24 24 GLN HA H 4.290 0.000 1 110 24 24 GLN C C 176.684 0.003 1 111 24 24 GLN CA C 56.308 0.000 1 112 24 24 GLN N N 122.335 0.000 1 113 25 25 GLY H H 8.558 0.001 1 114 25 25 GLY HA2 H 3.978 0.000 1 115 25 25 GLY HA3 H 3.978 0.000 1 116 25 25 GLY C C 174.332 0.002 1 117 25 25 GLY CA C 45.361 0.000 1 118 25 25 GLY N N 110.690 0.000 1 119 26 26 VAL H H 8.096 0.003 1 120 26 26 VAL HA H 4.065 0.000 1 121 26 26 VAL C C 176.487 0.002 1 122 26 26 VAL CA C 62.681 0.000 1 123 26 26 VAL N N 120.002 0.000 1 124 27 27 ALA H H 8.502 0.002 1 125 27 27 ALA HA H 4.283 0.000 1 126 27 27 ALA C C 178.243 0.001 1 127 27 27 ALA CA C 52.861 0.000 1 128 27 27 ALA N N 127.543 0.000 1 129 28 28 GLU H H 8.482 0.003 1 130 28 28 GLU HA H 4.194 0.000 1 131 28 28 GLU C C 176.754 0.004 1 132 28 28 GLU CA C 56.878 0.000 1 133 28 28 GLU N N 120.750 0.000 1 134 29 29 ALA H H 8.377 0.002 1 135 29 29 ALA HA H 4.262 0.000 1 136 29 29 ALA C C 177.838 0.001 1 137 29 29 ALA CA C 52.731 0.000 1 138 29 29 ALA N N 125.070 0.000 1 139 30 30 ALA H H 8.311 0.002 1 140 30 30 ALA HA H 4.287 0.000 1 141 30 30 ALA C C 178.552 0.001 1 142 30 30 ALA CA C 52.821 0.000 1 143 30 30 ALA N N 123.160 0.000 1 144 31 31 GLY H H 8.388 0.002 1 145 31 31 GLY HA2 H 3.925 0.000 1 146 31 31 GLY HA3 H 3.925 0.000 1 147 31 31 GLY C C 174.244 0.004 1 148 31 31 GLY CA C 45.328 0.000 1 149 31 31 GLY N N 107.904 0.000 1 150 32 32 LYS H H 8.180 0.003 1 151 32 32 LYS HA H 4.421 0.001 1 152 32 32 LYS C C 177.082 0.002 1 153 32 32 LYS CA C 56.242 0.006 1 154 32 32 LYS N N 120.820 0.000 1 155 33 33 THR H H 8.313 0.002 1 156 33 33 THR HA H 4.336 0.000 1 157 33 33 THR C C 174.721 0.006 1 158 33 33 THR CA C 61.990 0.000 1 159 33 33 THR N N 115.856 0.000 1 160 34 34 LYS H H 8.561 0.000 1 161 34 34 LYS C C 176.598 0.000 1 162 34 34 LYS CA C 56.565 0.000 1 163 34 34 LYS N N 124.025 0.000 1 164 35 35 GLU H H 8.536 0.004 1 165 35 35 GLU HA H 4.256 0.000 1 166 35 35 GLU C C 177.005 0.004 1 167 35 35 GLU CA C 56.521 0.000 1 168 35 35 GLU N N 122.230 0.000 1 169 36 36 GLY H H 8.514 0.001 1 170 36 36 GLY HA2 H 3.951 0.000 1 171 36 36 GLY HA3 H 3.951 0.000 1 172 36 36 GLY C C 174.067 0.015 1 173 36 36 GLY CA C 45.259 0.000 1 174 36 36 GLY N N 110.364 0.000 1 175 37 37 VAL H H 7.988 0.001 1 176 37 37 VAL HA H 4.058 0.000 1 177 37 37 VAL C C 176.025 0.009 1 178 37 37 VAL CA C 62.379 0.000 1 179 37 37 VAL N N 119.749 0.000 1 180 38 38 LEU H H 8.373 0.001 1 181 38 38 LEU HA H 4.345 0.002 1 182 38 38 LEU C C 176.716 0.003 1 183 38 38 LEU CA C 54.948 0.025 1 184 38 38 LEU N N 126.058 0.000 1 185 39 39 TYR H H 8.360 0.002 1 186 39 39 TYR HA H 4.582 0.005 1 187 39 39 TYR C C 175.623 0.003 1 188 39 39 TYR CA C 57.925 0.023 1 189 39 39 TYR N N 122.731 0.000 1 190 40 40 VAL H H 8.157 0.000 1 191 40 40 VAL HA H 4.050 0.000 1 192 40 40 VAL C C 176.166 0.010 1 193 40 40 VAL CA C 62.214 0.000 1 194 40 40 VAL N N 123.709 0.000 1 195 41 41 GLY H H 8.104 0.002 1 196 41 41 GLY HA2 H 3.928 0.000 1 197 41 41 GLY HA3 H 3.928 0.000 1 198 41 41 GLY C C 173.973 0.004 1 199 41 41 GLY CA C 45.212 0.000 1 200 41 41 GLY N N 112.312 0.000 1 201 42 42 SER H H 8.332 0.001 1 202 42 42 SER HA H 4.442 0.001 1 203 42 42 SER C C 174.804 0.009 1 204 42 42 SER CA C 58.277 0.000 1 205 42 42 SER N N 115.824 0.000 1 206 43 43 LYS H H 8.561 0.000 1 207 43 43 LYS HA H 4.426 0.004 1 208 43 43 LYS C C 176.930 0.009 1 209 43 43 LYS CA C 56.391 0.010 1 210 44 44 THR H H 8.264 0.002 1 211 44 44 THR HA H 4.311 0.000 1 212 44 44 THR C C 174.638 0.011 1 213 44 44 THR CA C 61.952 0.000 1 214 44 44 THR N N 115.752 0.000 1 215 45 45 LYS H H 8.519 0.002 1 216 45 45 LYS HA H 4.293 0.000 1 217 45 45 LYS C C 176.584 0.009 1 218 45 45 LYS CA C 56.488 0.000 1 219 45 45 LYS N N 123.957 0.000 1 220 46 46 GLU H H 8.539 0.004 1 221 46 46 GLU HA H 4.255 0.000 1 222 46 46 GLU C C 177.005 0.006 1 223 46 46 GLU CA C 56.541 0.000 1 224 46 46 GLU N N 122.380 0.000 1 225 47 47 GLY H H 8.514 0.001 1 226 47 47 GLY HA2 H 3.908 0.000 1 227 47 47 GLY HA3 H 3.908 0.000 1 228 47 47 GLY C C 173.877 0.012 1 229 47 47 GLY CA C 45.196 0.000 1 230 47 47 GLY N N 110.374 0.000 1 231 48 48 VAL H H 7.990 0.001 1 232 48 48 VAL HA H 4.076 0.000 1 233 48 48 VAL C C 176.064 0.015 1 234 48 48 VAL CA C 62.269 0.000 1 235 48 48 VAL N N 120.144 0.000 1 236 49 49 VAL H H 8.384 0.002 1 237 49 49 VAL HA H 4.058 0.000 1 238 49 49 VAL C C 175.974 0.060 1 239 49 49 VAL CA C 62.164 0.000 1 240 49 49 VAL N N 125.494 0.000 1 241 50 50 HIS H H 8.578 0.001 1 242 50 50 HIS HA H 4.628 0.006 1 243 50 50 HIS C C 175.867 0.003 1 244 50 50 HIS CA C 56.193 0.000 1 245 50 50 HIS N N 125.026 0.000 1 246 51 51 GLY H H 8.489 0.000 1 247 51 51 GLY HA2 H 3.975 0.000 1 248 51 51 GLY HA3 H 3.975 0.000 1 249 51 51 GLY C C 173.807 0.021 1 250 51 51 GLY CA C 45.175 0.000 1 251 52 52 VAL H H 8.113 0.003 1 252 52 52 VAL HA H 4.130 0.003 1 253 52 52 VAL C C 176.005 0.001 1 254 52 52 VAL CA C 62.008 0.029 1 255 52 52 VAL N N 119.749 0.000 1 256 53 53 ALA H H 8.573 0.000 1 257 53 53 ALA HA H 4.399 0.003 1 258 53 53 ALA C C 177.902 0.002 1 259 53 53 ALA CA C 52.398 0.013 1 260 53 53 ALA N N 128.421 0.000 1 261 54 54 THR H H 8.313 0.002 1 262 54 54 THR HA H 4.313 0.000 1 263 54 54 THR C C 174.588 0.002 1 264 54 54 THR CA C 61.902 0.000 1 265 54 54 THR N N 115.142 0.000 1 266 55 55 VAL H H 8.334 0.001 1 267 55 55 VAL HA H 4.076 0.000 1 268 55 55 VAL C C 175.914 0.004 1 269 55 55 VAL CA C 62.422 0.000 1 270 55 55 VAL N N 123.401 0.000 1 271 56 56 ALA H H 8.511 0.001 1 272 56 56 ALA HA H 4.281 0.000 1 273 56 56 ALA C C 177.850 0.001 1 274 56 56 ALA CA C 52.560 0.000 1 275 56 56 ALA N N 128.362 0.000 1 276 57 57 GLU H H 8.458 0.001 1 277 57 57 GLU C C 176.767 0.000 1 278 57 57 GLU CA C 56.557 0.000 1 279 57 57 GLU N N 121.109 0.000 1 280 58 58 LYS H H 8.523 0.001 1 281 58 58 LYS HA H 4.353 0.000 1 282 58 58 LYS C C 177.037 0.002 1 283 58 58 LYS CA C 56.829 0.000 1 284 58 58 LYS N N 123.081 0.000 1 285 59 59 THR H H 8.304 0.003 1 286 59 59 THR HA H 4.274 0.000 1 287 59 59 THR C C 174.681 0.002 1 288 59 59 THR CA C 62.219 0.000 1 289 59 59 THR N N 116.292 0.000 1 290 60 60 LYS H H 8.477 0.001 1 291 60 60 LYS HA H 4.283 0.000 1 292 60 60 LYS C C 176.795 0.007 1 293 60 60 LYS CA C 56.682 0.000 1 294 60 60 LYS N N 123.907 0.000 1 295 61 61 GLU H H 8.515 0.002 1 296 61 61 GLU C C 176.591 0.000 1 297 61 61 GLU CA C 56.602 0.000 1 298 61 61 GLU N N 122.377 0.000 1 299 62 62 GLN H H 8.523 0.000 1 300 62 62 GLN HA H 4.334 0.000 1 301 62 62 GLN C C 176.025 0.005 1 302 62 62 GLN CA C 55.816 0.000 1 303 62 62 GLN N N 122.375 0.000 1 304 63 63 VAL H H 8.373 0.001 1 305 63 63 VAL HA H 4.185 0.002 1 306 63 63 VAL C C 176.416 0.003 1 307 63 63 VAL CA C 62.353 0.037 1 308 63 63 VAL N N 122.225 0.000 1 309 64 64 THR H H 8.389 0.002 1 310 64 64 THR HA H 4.361 0.000 1 311 64 64 THR C C 174.082 0.001 1 312 64 64 THR CA C 61.861 0.000 1 313 64 64 THR N N 118.384 0.000 1 314 65 65 ASN H H 8.607 0.001 1 315 65 65 ASN HA H 4.775 0.005 1 316 65 65 ASN C C 175.304 0.010 1 317 65 65 ASN CA C 53.111 0.005 1 318 65 65 ASN N N 122.016 0.000 1 319 66 66 VAL H H 8.328 0.001 1 320 66 66 VAL HA H 4.115 0.001 1 321 66 66 VAL C C 176.940 0.002 1 322 66 66 VAL CA C 62.674 0.043 1 323 66 66 VAL N N 120.969 0.000 1 324 67 67 GLY H H 8.638 0.002 1 325 67 67 GLY HA2 H 3.968 0.000 1 326 67 67 GLY HA3 H 3.968 0.000 1 327 67 67 GLY C C 174.713 0.004 1 328 67 67 GLY CA C 45.369 0.000 1 329 67 67 GLY N N 112.810 0.000 1 330 68 68 GLY H H 8.304 0.004 1 331 68 68 GLY HA2 H 3.942 0.000 1 332 68 68 GLY HA3 H 3.942 0.000 1 333 68 68 GLY C C 173.772 0.001 1 334 68 68 GLY CA C 45.015 0.000 1 335 68 68 GLY N N 108.933 0.000 1 336 69 69 ALA H H 8.240 0.002 1 337 69 69 ALA HA H 4.345 0.000 1 338 69 69 ALA C C 177.725 0.002 1 339 69 69 ALA CA C 52.317 0.022 1 340 69 69 ALA N N 123.874 0.000 1 341 70 70 VAL H H 8.306 0.002 1 342 70 70 VAL HA H 4.085 0.000 1 343 70 70 VAL C C 176.405 0.005 1 344 70 70 VAL CA C 62.435 0.000 1 345 70 70 VAL N N 120.792 0.000 1 346 71 71 VAL H H 8.486 0.003 1 347 71 71 VAL HA H 4.213 0.001 1 348 71 71 VAL C C 176.352 0.000 1 349 71 71 VAL CA C 62.123 0.018 1 350 71 71 VAL N N 125.768 0.000 1 351 72 72 THR H H 8.397 0.003 1 352 72 72 THR HA H 4.358 0.000 1 353 72 72 THR C C 174.947 0.003 1 354 72 72 THR CA C 61.870 0.000 1 355 72 72 THR N N 118.980 0.000 1 356 73 73 GLY H H 8.519 0.002 1 357 73 73 GLY HA2 H 3.986 0.000 1 358 73 73 GLY HA3 H 3.986 0.000 1 359 73 73 GLY C C 174.042 0.004 1 360 73 73 GLY CA C 45.211 0.000 1 361 73 73 GLY N N 111.504 0.000 1 362 74 74 VAL H H 8.164 0.002 1 363 74 74 VAL HA H 4.185 0.002 1 364 74 74 VAL C C 176.628 0.001 1 365 74 74 VAL CA C 62.334 0.018 1 366 74 74 VAL N N 119.711 0.000 1 367 75 75 THR H H 8.390 0.002 1 368 75 75 THR HA H 4.306 0.000 1 369 75 75 THR C C 174.110 0.006 1 370 75 75 THR CA C 61.983 0.000 1 371 75 75 THR N N 119.348 0.000 1 372 76 76 ALA H H 8.460 0.003 1 373 76 76 ALA HA H 4.340 0.001 1 374 76 76 ALA C C 177.627 0.002 1 375 76 76 ALA CA C 52.439 0.003 1 376 76 76 ALA N N 127.660 0.000 1 377 77 77 VAL H H 8.240 0.002 1 378 77 77 VAL HA H 4.053 0.000 1 379 77 77 VAL C C 176.075 0.005 1 380 77 77 VAL CA C 62.261 0.000 1 381 77 77 VAL N N 120.391 0.000 1 382 78 78 ALA H H 8.495 0.001 1 383 78 78 ALA HA H 4.284 0.000 1 384 78 78 ALA C C 177.700 0.001 1 385 78 78 ALA CA C 52.490 0.000 1 386 78 78 ALA N N 128.442 0.000 1 387 79 79 GLN H H 8.482 0.001 1 388 79 79 GLN HA H 4.285 0.000 1 389 79 79 GLN C C 176.013 0.001 1 390 79 79 GLN CA C 55.675 0.000 1 391 79 79 GLN N N 120.562 0.000 1 392 80 80 LYS H H 8.522 0.002 1 393 80 80 LYS HA H 4.364 0.000 1 394 80 80 LYS C C 176.751 0.003 1 395 80 80 LYS CA C 56.341 0.000 1 396 80 80 LYS N N 123.531 0.000 1 397 81 81 THR H H 8.381 0.001 1 398 81 81 THR HA H 4.338 0.000 1 399 81 81 THR C C 174.481 0.002 1 400 81 81 THR CA C 61.987 0.000 1 401 81 81 THR N N 117.232 0.000 1 402 82 82 VAL H H 8.395 0.001 1 403 82 82 VAL HA H 4.113 0.000 1 404 82 82 VAL C C 176.215 0.003 1 405 82 82 VAL CA C 62.320 0.000 1 406 82 82 VAL N N 123.336 0.000 1 407 83 83 GLU H H 8.659 0.002 1 408 83 83 GLU HA H 4.256 0.000 1 409 83 83 GLU C C 177.094 0.000 1 410 83 83 GLU CA C 56.831 0.000 1 411 83 83 GLU N N 125.581 0.000 1 412 84 84 GLY H H 8.601 0.001 1 413 84 84 GLY HA2 H 3.951 0.000 1 414 84 84 GLY HA3 H 3.951 0.000 1 415 84 84 GLY C C 174.196 0.004 1 416 84 84 GLY CA C 45.258 0.000 1 417 84 84 GLY N N 110.884 0.000 1 418 85 85 ALA H H 8.339 0.002 1 419 85 85 ALA HA H 4.301 0.000 1 420 85 85 ALA C C 178.577 0.001 1 421 85 85 ALA CA C 52.917 0.000 1 422 85 85 ALA N N 124.037 0.000 1 423 86 86 GLY H H 8.577 0.004 1 424 86 86 GLY HA2 H 3.964 0.000 1 425 86 86 GLY HA3 H 3.964 0.000 1 426 86 86 GLY C C 174.337 0.006 1 427 86 86 GLY CA C 45.280 0.000 1 428 86 86 GLY N N 108.304 0.000 1 429 87 87 SER H H 8.221 0.002 1 430 87 87 SER HA H 4.459 0.001 1 431 87 87 SER C C 174.757 0.000 1 432 87 87 SER CA C 58.358 0.027 1 433 87 87 SER N N 115.825 0.000 1 434 88 88 ILE H H 8.274 0.000 1 435 88 88 ILE HA H 4.165 0.001 1 436 88 88 ILE C C 176.339 0.002 1 437 88 88 ILE CA C 61.278 0.039 1 438 88 88 ILE N N 122.979 0.000 1 439 89 89 ALA H H 8.434 0.002 1 440 89 89 ALA HA H 4.246 0.000 1 441 89 89 ALA C C 177.627 0.002 1 442 89 89 ALA CA C 52.614 0.000 1 443 89 89 ALA N N 128.307 0.000 1 444 90 90 ALA H H 8.300 0.002 1 445 90 90 ALA HA H 4.250 0.000 1 446 90 90 ALA C C 177.789 0.001 1 447 90 90 ALA CA C 52.442 0.000 1 448 90 90 ALA N N 123.531 0.000 1 449 91 91 ALA H H 8.375 0.002 1 450 91 91 ALA HA H 4.353 0.003 1 451 91 91 ALA C C 178.206 0.001 1 452 91 91 ALA CA C 52.614 0.011 1 453 91 91 ALA N N 123.621 0.000 1 454 92 92 THR H H 8.183 0.001 1 455 92 92 THR HA H 4.297 0.000 1 456 92 92 THR C C 175.213 0.005 1 457 92 92 THR CA C 62.043 0.000 1 458 92 92 THR N N 112.888 0.000 1 459 93 93 GLY H H 8.385 0.002 1 460 93 93 GLY HA2 H 3.908 0.000 1 461 93 93 GLY HA3 H 3.908 0.000 1 462 93 93 GLY C C 173.645 0.004 1 463 93 93 GLY CA C 45.143 0.000 1 464 93 93 GLY N N 110.846 0.000 1 465 94 94 PHE H H 8.165 0.001 1 466 94 94 PHE HA H 4.600 0.005 1 467 94 94 PHE C C 175.534 0.000 1 468 94 94 PHE CA C 57.894 0.043 1 469 94 94 PHE N N 120.466 0.000 1 470 95 95 VAL H H 8.133 0.001 1 471 95 95 VAL HA H 3.999 0.000 1 472 95 95 VAL C C 175.432 0.006 1 473 95 95 VAL CA C 62.015 0.000 1 474 95 95 VAL N N 124.133 0.000 1 475 96 96 LYS H H 8.481 0.002 1 476 96 96 LYS HA H 4.211 0.000 1 477 96 96 LYS C C 176.517 0.010 1 478 96 96 LYS CA C 56.460 0.000 1 479 96 96 LYS N N 126.672 0.000 1 480 97 97 LYS H H 8.558 0.002 1 481 97 97 LYS HA H 4.288 0.000 1 482 97 97 LYS C C 176.414 0.007 1 483 97 97 LYS CA C 56.490 0.000 1 484 97 97 LYS N N 124.025 0.000 1 485 98 98 ASP H H 8.483 0.003 1 486 98 98 ASP HA H 4.562 0.002 1 487 98 98 ASP C C 176.257 0.000 1 488 98 98 ASP CA C 54.416 0.035 1 489 98 98 ASP N N 121.432 0.000 1 490 99 99 GLN H H 8.425 0.001 1 491 99 99 GLN HA H 4.313 0.000 1 492 99 99 GLN C C 176.067 0.005 1 493 99 99 GLN CA C 55.854 0.000 1 494 99 99 GLN N N 120.338 0.000 1 495 100 100 LEU H H 8.386 0.001 1 496 100 100 LEU HA H 4.332 0.003 1 497 100 100 LEU C C 178.060 0.003 1 498 100 100 LEU CA C 55.351 0.036 1 499 100 100 LEU N N 123.043 0.000 1 500 101 101 GLY H H 8.561 0.002 1 501 101 101 GLY HA2 H 3.939 0.000 1 502 101 101 GLY HA3 H 3.939 0.000 1 503 101 101 GLY C C 174.125 0.003 1 504 101 101 GLY CA C 45.279 0.000 1 505 101 101 GLY N N 109.958 0.000 1 506 102 102 LYS H H 8.288 0.001 1 507 102 102 LYS HA H 4.306 0.000 1 508 102 102 LYS C C 176.525 0.003 1 509 102 102 LYS CA C 56.213 0.000 1 510 102 102 LYS N N 120.901 0.000 1 511 103 103 ASN H H 8.703 0.002 1 512 103 103 ASN HA H 4.692 0.001 1 513 103 103 ASN C C 175.364 0.001 1 514 103 103 ASN CA C 53.296 0.037 1 515 103 103 ASN N N 120.139 0.000 1 516 104 104 GLU H H 8.555 0.003 1 517 104 104 GLU HA H 4.295 0.000 1 518 104 104 GLU C C 176.605 0.002 1 519 104 104 GLU CA C 56.489 0.000 1 520 104 104 GLU N N 121.549 0.000 1 521 105 105 GLU H H 8.543 0.003 1 522 105 105 GLU C C 177.097 0.000 1 523 105 105 GLU CA C 56.520 0.000 1 524 105 105 GLU N N 122.027 0.000 1 525 106 106 GLY H H 8.513 0.001 1 526 106 106 GLY HA2 H 3.926 0.000 1 527 106 106 GLY HA3 H 3.926 0.000 1 528 106 106 GLY C C 173.476 0.002 1 529 106 106 GLY CA C 45.001 0.000 1 530 106 106 GLY N N 110.122 0.000 1 531 107 107 ALA H H 8.200 0.001 1 532 107 107 ALA N N 125.061 0.000 1 533 108 108 PRO HA H 4.430 0.008 1 534 108 108 PRO C C 177.087 0.005 1 535 108 108 PRO CA C 63.011 0.071 1 536 109 109 GLN H H 8.677 0.002 1 537 109 109 GLN HA H 4.298 0.000 1 538 109 109 GLN C C 176.037 0.001 1 539 109 109 GLN CA C 55.676 0.000 1 540 109 109 GLN N N 121.403 0.000 1 541 110 110 GLU H H 8.613 0.002 1 542 110 110 GLU HA H 4.287 0.000 1 543 110 110 GLU C C 176.797 0.003 1 544 110 110 GLU CA C 56.500 0.000 1 545 110 110 GLU N N 122.795 0.000 1 546 111 111 GLY H H 8.516 0.001 1 547 111 111 GLY HA2 H 3.944 0.000 1 548 111 111 GLY HA3 H 3.944 0.000 1 549 111 111 GLY C C 173.791 0.003 1 550 111 111 GLY CA C 45.242 0.000 1 551 111 111 GLY N N 110.168 0.000 1 552 112 112 ILE H H 8.084 0.001 1 553 112 112 ILE HA H 4.169 0.001 1 554 112 112 ILE C C 176.337 0.001 1 555 112 112 ILE CA C 60.876 0.030 1 556 112 112 ILE N N 120.359 0.000 1 557 113 113 LEU H H 8.500 0.004 1 558 113 113 LEU HA H 4.389 0.001 1 559 113 113 LEU C C 177.206 0.004 1 560 113 113 LEU CA C 54.983 0.016 1 561 113 113 LEU N N 127.348 0.000 1 562 114 114 GLU H H 8.506 0.000 1 563 114 114 GLU HA H 4.250 0.000 1 564 114 114 GLU C C 175.931 0.002 1 565 114 114 GLU CA C 56.430 0.000 1 566 114 114 GLU N N 122.355 0.000 1 567 115 115 ASP H H 8.445 0.002 1 568 115 115 ASP HA H 4.562 0.001 1 569 115 115 ASP C C 175.847 0.003 1 570 115 115 ASP CA C 54.279 0.002 1 571 115 115 ASP N N 121.656 0.000 1 572 116 116 MET H H 8.351 0.000 1 573 116 116 MET N N 122.231 0.000 1 574 117 117 PRO HA H 4.453 0.000 1 575 117 117 PRO C C 176.757 0.001 1 576 117 117 PRO CA C 62.880 0.023 1 577 118 118 VAL H H 8.398 0.002 1 578 118 118 VAL HA H 4.062 0.000 1 579 118 118 VAL C C 175.843 0.004 1 580 118 118 VAL CA C 61.945 0.000 1 581 118 118 VAL N N 121.120 0.000 1 582 119 119 ASP H H 8.619 0.004 1 583 119 119 ASP N N 126.304 0.000 1 584 120 120 PRO HA H 4.333 0.007 1 585 120 120 PRO C C 176.931 0.018 1 586 120 120 PRO CA C 63.430 0.039 1 587 121 121 ASP H H 8.454 0.001 1 588 121 121 ASP HA H 4.598 0.001 1 589 121 121 ASP C C 176.215 0.001 1 590 121 121 ASP CA C 54.506 0.030 1 591 121 121 ASP N N 119.464 0.000 1 592 122 122 ASN H H 8.186 0.000 1 593 122 122 ASN HA H 4.676 0.000 1 594 122 122 ASN C C 175.438 0.001 1 595 122 122 ASN CA C 53.395 0.055 1 596 122 122 ASN N N 119.292 0.000 1 597 123 123 GLU H H 8.457 0.002 1 598 123 123 GLU HA H 4.203 0.000 1 599 123 123 GLU C C 176.119 0.003 1 600 123 123 GLU CA C 56.248 0.000 1 601 123 123 GLU N N 121.965 0.000 1 602 124 124 ALA H H 8.312 0.002 1 603 124 124 ALA HA H 4.283 0.000 1 604 124 124 ALA C C 177.248 0.004 1 605 124 124 ALA CA C 52.317 0.000 1 606 124 124 ALA N N 124.629 0.000 1 607 125 125 TYR H H 8.120 0.003 1 608 125 125 TYR HA H 4.514 0.004 1 609 125 125 TYR C C 175.363 0.004 1 610 125 125 TYR CA C 57.754 0.044 1 611 125 125 TYR N N 120.310 0.000 1 612 126 126 GLU H H 8.207 0.002 1 613 126 126 GLU HA H 4.241 0.002 1 614 126 126 GLU C C 175.427 0.002 1 615 126 126 GLU CA C 55.544 0.014 1 616 126 126 GLU N N 124.200 0.000 1 617 127 127 MET H H 8.511 0.001 1 618 127 127 MET N N 124.182 0.000 1 619 128 128 PRO HA H 4.434 0.004 1 620 128 128 PRO C C 176.916 0.005 1 621 128 128 PRO CA C 62.978 0.038 1 622 129 129 SER H H 8.583 0.001 1 623 129 129 SER HA H 4.413 0.002 1 624 129 129 SER C C 174.845 0.004 1 625 129 129 SER CA C 58.242 0.029 1 626 129 129 SER N N 117.028 0.000 1 627 130 130 GLU H H 8.665 0.001 1 628 130 130 GLU HA H 4.320 0.000 1 629 130 130 GLU C C 176.507 0.023 1 630 130 130 GLU CA C 56.392 0.000 1 631 130 130 GLU N N 123.399 0.000 1 632 131 131 GLU H H 8.509 0.001 1 633 131 131 GLU HA H 4.244 0.000 1 634 131 131 GLU C C 177.022 0.014 1 635 131 131 GLU CA C 56.794 0.000 1 636 131 131 GLU N N 121.951 0.000 1 637 132 132 GLY H H 8.496 0.002 1 638 132 132 GLY HA2 H 3.895 0.000 1 639 132 132 GLY HA3 H 3.895 0.000 1 640 132 132 GLY C C 173.867 0.003 1 641 132 132 GLY CA C 45.122 0.000 1 642 132 132 GLY N N 110.102 0.000 1 643 133 133 TYR H H 8.147 0.001 1 644 133 133 TYR HA H 4.499 0.003 1 645 133 133 TYR C C 175.787 0.003 1 646 133 133 TYR CA C 58.124 0.019 1 647 133 133 TYR N N 120.477 0.000 1 648 134 134 GLN H H 8.289 0.000 1 649 134 134 GLN HA H 4.247 0.002 1 650 134 134 GLN C C 174.862 0.002 1 651 134 134 GLN CA C 55.346 0.016 1 652 134 134 GLN N N 122.949 0.000 1 653 135 135 ASP H H 8.310 0.002 1 654 135 135 ASP HA H 4.524 0.003 1 655 135 135 ASP C C 175.570 0.002 1 656 135 135 ASP CA C 54.204 0.027 1 657 135 135 ASP N N 121.880 0.000 1 658 136 136 TYR H H 8.120 0.002 1 659 136 136 TYR HA H 4.553 0.003 1 660 136 136 TYR C C 175.137 0.002 1 661 136 136 TYR CA C 57.552 0.031 1 662 136 136 TYR N N 120.654 0.000 1 663 137 137 GLU H H 8.338 0.002 1 664 137 137 GLU N N 125.640 0.000 1 665 138 138 PRO HA H 4.343 0.003 1 666 138 138 PRO C C 176.913 0.001 1 667 138 138 PRO CA C 62.861 0.043 1 668 139 139 GLU H H 8.603 0.003 1 669 139 139 GLU HA H 4.206 0.000 1 670 139 139 GLU C C 175.471 0.002 1 671 139 139 GLU CA C 56.592 0.000 1 672 139 139 GLU N N 121.776 0.000 1 673 140 140 ALA H H 8.089 0.002 1 674 140 140 ALA HA H 4.098 0.003 1 675 140 140 ALA C C 182.650 0.000 1 676 140 140 ALA CA C 53.795 0.000 1 677 140 140 ALA N N 131.115 0.000 1 stop_ save_ save_assigned_chem_shift_list_28 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D H(NCO)CA' '2D HA(CA)CO' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH_7.51 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.900 0.001 1 2 1 1 MET C C 174.811 0.000 1 3 1 1 MET CA C 55.365 0.000 1 4 2 2 ASP HA H 4.673 0.003 1 5 2 2 ASP C C 176.111 0.007 1 6 2 2 ASP CA C 54.188 0.033 1 7 3 3 VAL H H 8.306 0.002 1 8 3 3 VAL HA H 4.013 0.001 1 9 3 3 VAL C C 176.048 0.003 1 10 3 3 VAL CA C 62.614 0.045 1 11 3 3 VAL N N 120.463 0.000 1 12 4 4 PHE H H 8.413 0.001 1 13 4 4 PHE HA H 4.596 0.004 1 14 4 4 PHE C C 175.948 0.002 1 15 4 4 PHE CA C 58.003 0.085 1 16 4 4 PHE N N 123.655 0.000 1 17 5 5 MET H H 8.286 0.002 1 18 5 5 MET HA H 4.383 0.004 1 19 5 5 MET C C 176.026 0.020 1 20 5 5 MET CA C 55.315 0.086 1 21 5 5 MET N N 122.463 0.000 1 22 6 6 LYS H H 8.353 0.003 1 23 6 6 LYS HA H 4.199 0.003 1 24 6 6 LYS C C 177.220 0.016 1 25 6 6 LYS CA C 56.865 0.047 1 26 6 6 LYS N N 122.759 0.000 1 27 7 7 GLY H H 8.507 0.001 1 28 7 7 GLY HA2 H 3.938 0.000 1 29 7 7 GLY HA3 H 3.938 0.000 1 30 7 7 GLY C C 174.240 0.005 1 31 7 7 GLY CA C 45.274 0.000 1 32 7 7 GLY N N 110.142 0.000 1 33 8 8 LEU H H 8.130 0.000 1 34 8 8 LEU HA H 4.380 0.001 1 35 8 8 LEU C C 177.736 0.012 1 36 8 8 LEU CA C 55.082 0.000 1 37 8 8 LEU N N 121.631 0.000 1 38 9 9 SER H H 8.398 0.000 1 39 9 9 SER HA H 4.412 0.004 1 40 9 9 SER C C 174.626 0.001 1 41 9 9 SER CA C 58.289 0.000 1 42 9 9 SER N N 116.811 0.000 1 43 10 10 LYS H H 8.447 0.002 1 44 10 10 LYS HA H 4.364 0.000 1 45 10 10 LYS C C 176.754 0.002 1 46 10 10 LYS CA C 56.385 0.000 1 47 10 10 LYS N N 123.877 0.000 1 48 11 11 ALA H H 8.382 0.001 1 49 11 11 ALA HA H 4.247 0.000 1 50 11 11 ALA C C 177.986 0.005 1 51 11 11 ALA CA C 52.725 0.000 1 52 11 11 ALA N N 125.527 0.000 1 53 12 12 LYS H H 8.420 0.002 1 54 12 12 LYS HA H 4.266 0.000 1 55 12 12 LYS C C 176.776 0.005 1 56 12 12 LYS CA C 56.436 0.000 1 57 12 12 LYS N N 121.120 0.000 1 58 13 13 GLU H H 8.506 0.001 1 59 13 13 GLU C C 177.104 0.000 1 60 13 13 GLU CA C 56.768 0.000 1 61 13 13 GLU N N 122.381 0.000 1 62 14 14 GLY H H 8.544 0.002 1 63 14 14 GLY C C 174.081 0.000 1 64 14 14 GLY CA C 45.317 0.000 1 65 14 14 GLY N N 110.230 0.000 1 66 15 15 VAL H H 8.055 0.000 1 67 15 15 VAL HA H 4.082 0.000 1 68 15 15 VAL C C 176.565 0.001 1 69 15 15 VAL CA C 62.649 0.000 1 70 15 15 VAL N N 120.338 0.000 1 71 16 16 VAL H H 8.381 0.000 1 72 16 16 VAL C C 176.089 0.000 1 73 16 16 VAL CA C 62.550 0.000 1 74 16 16 VAL N N 125.527 0.000 1 75 17 17 ALA H H 8.533 0.002 1 76 17 17 ALA HA H 4.260 0.000 1 77 17 17 ALA C C 177.755 0.003 1 78 17 17 ALA CA C 52.629 0.000 1 79 17 17 ALA N N 128.653 0.000 1 80 18 18 ALA H H 8.399 0.003 1 81 18 18 ALA HA H 4.228 0.000 1 82 18 18 ALA C C 177.991 0.002 1 83 18 18 ALA CA C 52.769 0.000 1 84 18 18 ALA N N 123.831 0.000 1 85 19 19 ALA H H 8.359 0.002 1 86 19 19 ALA HA H 4.266 0.000 1 87 19 19 ALA C C 178.286 0.006 1 88 19 19 ALA CA C 52.847 0.000 1 89 19 19 ALA N N 123.270 0.000 1 90 20 20 GLU H H 8.406 0.000 1 91 20 20 GLU C C 177.008 0.000 1 92 20 20 GLU CA C 56.812 0.000 1 93 20 20 GLU N N 120.293 0.000 1 94 21 21 LYS H H 8.417 0.003 1 95 21 21 LYS HA H 4.320 0.000 1 96 21 21 LYS C C 177.248 0.004 1 97 21 21 LYS CA C 56.792 0.000 1 98 21 21 LYS N N 122.520 0.000 1 99 22 22 THR H H 8.218 0.001 1 100 22 22 THR HA H 4.270 0.000 1 101 22 22 THR C C 174.761 0.001 1 102 22 22 THR CA C 62.374 0.000 1 103 22 22 THR N N 115.557 0.000 1 104 23 23 LYS H H 8.430 0.000 1 105 23 23 LYS HA H 4.277 0.000 1 106 23 23 LYS C C 176.779 0.003 1 107 23 23 LYS CA C 56.806 0.000 1 108 23 23 LYS N N 123.959 0.000 1 109 24 24 GLN H H 8.508 0.002 1 110 24 24 GLN HA H 4.290 0.000 1 111 24 24 GLN C C 176.684 0.003 1 112 24 24 GLN CA C 56.375 0.000 1 113 24 24 GLN N N 122.335 0.000 1 114 25 25 GLY H H 8.559 0.001 1 115 25 25 GLY HA2 H 3.978 0.000 1 116 25 25 GLY HA3 H 3.978 0.000 1 117 25 25 GLY C C 174.332 0.001 1 118 25 25 GLY CA C 45.361 0.000 1 119 25 25 GLY N N 110.578 0.000 1 120 26 26 VAL H H 8.094 0.000 1 121 26 26 VAL HA H 4.063 0.000 1 122 26 26 VAL C C 176.489 0.000 1 123 26 26 VAL CA C 62.677 0.000 1 124 26 26 VAL N N 119.963 0.000 1 125 27 27 ALA H H 8.501 0.002 1 126 27 27 ALA HA H 4.282 0.000 1 127 27 27 ALA C C 178.245 0.002 1 128 27 27 ALA CA C 52.852 0.000 1 129 27 27 ALA N N 127.510 0.000 1 130 28 28 GLU H H 8.482 0.000 1 131 28 28 GLU HA H 4.194 0.000 1 132 28 28 GLU C C 176.754 0.004 1 133 28 28 GLU CA C 56.880 0.000 1 134 28 28 GLU N N 120.730 0.000 1 135 29 29 ALA H H 8.377 0.001 1 136 29 29 ALA HA H 4.262 0.000 1 137 29 29 ALA C C 177.838 0.001 1 138 29 29 ALA CA C 52.731 0.000 1 139 29 29 ALA N N 125.084 0.000 1 140 30 30 ALA H H 8.310 0.001 1 141 30 30 ALA HA H 4.287 0.000 1 142 30 30 ALA C C 178.552 0.001 1 143 30 30 ALA CA C 52.821 0.000 1 144 30 30 ALA N N 123.150 0.000 1 145 31 31 GLY H H 8.387 0.004 1 146 31 31 GLY HA2 H 3.925 0.000 1 147 31 31 GLY HA3 H 3.925 0.000 1 148 31 31 GLY C C 174.242 0.002 1 149 31 31 GLY CA C 45.328 0.000 1 150 31 31 GLY N N 107.885 0.000 1 151 32 32 LYS H H 8.180 0.003 1 152 32 32 LYS HA H 4.421 0.000 1 153 32 32 LYS C C 177.079 0.004 1 154 32 32 LYS CA C 56.239 0.005 1 155 32 32 LYS N N 120.799 0.000 1 156 33 33 THR H H 8.314 0.002 1 157 33 33 THR HA H 4.335 0.000 1 158 33 33 THR C C 174.722 0.004 1 159 33 33 THR CA C 61.988 0.000 1 160 33 33 THR N N 115.856 0.000 1 161 34 34 LYS H H 8.562 0.002 1 162 34 34 LYS C C 176.598 0.000 1 163 34 34 LYS CA C 56.565 0.000 1 164 34 34 LYS N N 124.003 0.000 1 165 35 35 GLU H H 8.536 0.004 1 166 35 35 GLU HA H 4.256 0.000 1 167 35 35 GLU C C 177.002 0.007 1 168 35 35 GLU CA C 56.521 0.000 1 169 35 35 GLU N N 122.230 0.000 1 170 36 36 GLY H H 8.514 0.001 1 171 36 36 GLY HA2 H 3.950 0.000 1 172 36 36 GLY HA3 H 3.950 0.000 1 173 36 36 GLY C C 174.064 0.013 1 174 36 36 GLY CA C 45.259 0.000 1 175 36 36 GLY N N 110.364 0.000 1 176 37 37 VAL H H 7.989 0.001 1 177 37 37 VAL HA H 4.058 0.000 1 178 37 37 VAL C C 176.025 0.009 1 179 37 37 VAL CA C 62.379 0.000 1 180 37 37 VAL N N 119.767 0.000 1 181 38 38 LEU H H 8.373 0.002 1 182 38 38 LEU HA H 4.342 0.001 1 183 38 38 LEU C C 176.723 0.008 1 184 38 38 LEU CA C 54.931 0.030 1 185 38 38 LEU N N 126.044 0.000 1 186 39 39 TYR H H 8.361 0.001 1 187 39 39 TYR HA H 4.582 0.005 1 188 39 39 TYR C C 175.622 0.003 1 189 39 39 TYR CA C 57.924 0.020 1 190 39 39 TYR N N 122.731 0.000 1 191 40 40 VAL H H 8.156 0.001 1 192 40 40 VAL HA H 4.049 0.000 1 193 40 40 VAL C C 176.165 0.009 1 194 40 40 VAL CA C 62.182 0.000 1 195 40 40 VAL N N 123.711 0.000 1 196 41 41 GLY H H 8.100 0.003 1 197 41 41 GLY HA2 H 3.926 0.000 1 198 41 41 GLY HA3 H 3.926 0.000 1 199 41 41 GLY C C 173.968 0.000 1 200 41 41 GLY CA C 45.233 0.000 1 201 41 41 GLY N N 112.354 0.000 1 202 42 42 SER H H 8.334 0.004 1 203 42 42 SER HA H 4.439 0.002 1 204 42 42 SER C C 174.806 0.007 1 205 42 42 SER CA C 58.277 0.000 1 206 42 42 SER N N 115.824 0.000 1 207 43 43 LYS H H 8.561 0.000 1 208 43 43 LYS HA H 4.425 0.003 1 209 43 43 LYS C C 176.928 0.005 1 210 43 43 LYS CA C 56.394 0.012 1 211 44 44 THR H H 8.267 0.003 1 212 44 44 THR HA H 4.311 0.000 1 213 44 44 THR C C 174.635 0.008 1 214 44 44 THR CA C 61.952 0.000 1 215 44 44 THR N N 115.701 0.000 1 216 45 45 LYS H H 8.517 0.001 1 217 45 45 LYS HA H 4.293 0.000 1 218 45 45 LYS C C 176.584 0.009 1 219 45 45 LYS CA C 56.488 0.000 1 220 45 45 LYS N N 124.069 0.000 1 221 46 46 GLU H H 8.539 0.004 1 222 46 46 GLU HA H 4.255 0.000 1 223 46 46 GLU C C 177.004 0.007 1 224 46 46 GLU CA C 56.541 0.000 1 225 46 46 GLU N N 122.380 0.000 1 226 47 47 GLY H H 8.513 0.001 1 227 47 47 GLY HA2 H 3.911 0.000 1 228 47 47 GLY HA3 H 3.911 0.000 1 229 47 47 GLY C C 173.874 0.014 1 230 47 47 GLY CA C 45.196 0.000 1 231 47 47 GLY N N 110.370 0.000 1 232 48 48 VAL H H 7.988 0.002 1 233 48 48 VAL HA H 4.076 0.000 1 234 48 48 VAL C C 176.064 0.015 1 235 48 48 VAL CA C 62.269 0.000 1 236 48 48 VAL N N 120.173 0.000 1 237 49 49 VAL H H 8.384 0.002 1 238 49 49 VAL HA H 4.058 0.000 1 239 49 49 VAL C C 175.969 0.065 1 240 49 49 VAL CA C 62.152 0.000 1 241 49 49 VAL N N 125.494 0.000 1 242 50 50 HIS H H 8.563 0.004 1 243 50 50 HIS HA H 4.607 0.006 1 244 50 50 HIS C C 175.946 0.000 1 245 50 50 HIS CA C 56.383 0.000 1 246 50 50 HIS N N 125.212 0.000 1 247 51 51 GLY HA2 H 3.975 0.000 1 248 51 51 GLY HA3 H 3.975 0.000 1 249 51 51 GLY C C 173.810 0.024 1 250 51 51 GLY CA C 45.179 0.000 1 251 52 52 VAL H H 8.107 0.003 1 252 52 52 VAL HA H 4.130 0.003 1 253 52 52 VAL C C 176.007 0.001 1 254 52 52 VAL CA C 62.004 0.032 1 255 52 52 VAL N N 119.758 0.000 1 256 53 53 ALA H H 8.573 0.001 1 257 53 53 ALA HA H 4.399 0.003 1 258 53 53 ALA C C 177.907 0.001 1 259 53 53 ALA CA C 52.398 0.013 1 260 53 53 ALA N N 128.420 0.000 1 261 54 54 THR H H 8.312 0.001 1 262 54 54 THR HA H 4.313 0.000 1 263 54 54 THR C C 174.589 0.001 1 264 54 54 THR CA C 61.903 0.000 1 265 54 54 THR N N 115.183 0.000 1 266 55 55 VAL H H 8.335 0.001 1 267 55 55 VAL HA H 4.076 0.000 1 268 55 55 VAL C C 175.912 0.002 1 269 55 55 VAL CA C 62.422 0.000 1 270 55 55 VAL N N 123.399 0.000 1 271 56 56 ALA H H 8.510 0.000 1 272 56 56 ALA HA H 4.281 0.000 1 273 56 56 ALA C C 177.851 0.000 1 274 56 56 ALA CA C 52.560 0.000 1 275 56 56 ALA N N 128.369 0.000 1 276 57 57 GLU H H 8.458 0.001 1 277 57 57 GLU C C 176.767 0.000 1 278 57 57 GLU CA C 56.557 0.000 1 279 57 57 GLU N N 121.096 0.000 1 280 58 58 LYS H H 8.523 0.001 1 281 58 58 LYS HA H 4.352 0.000 1 282 58 58 LYS C C 177.040 0.000 1 283 58 58 LYS CA C 56.836 0.000 1 284 58 58 LYS N N 123.079 0.000 1 285 59 59 THR H H 8.307 0.004 1 286 59 59 THR HA H 4.274 0.000 1 287 59 59 THR C C 174.684 0.001 1 288 59 59 THR CA C 62.219 0.000 1 289 59 59 THR N N 116.264 0.000 1 290 60 60 LYS H H 8.479 0.002 1 291 60 60 LYS HA H 4.283 0.000 1 292 60 60 LYS C C 176.795 0.007 1 293 60 60 LYS CA C 56.682 0.000 1 294 60 60 LYS N N 123.914 0.000 1 295 61 61 GLU H H 8.515 0.002 1 296 61 61 GLU C C 176.591 0.000 1 297 61 61 GLU CA C 56.602 0.000 1 298 61 61 GLU N N 122.377 0.000 1 299 62 62 GLN H H 8.523 0.000 1 300 62 62 GLN HA H 4.337 0.000 1 301 62 62 GLN C C 176.026 0.006 1 302 62 62 GLN CA C 55.816 0.000 1 303 62 62 GLN N N 122.375 0.000 1 304 63 63 VAL H H 8.373 0.001 1 305 63 63 VAL HA H 4.184 0.002 1 306 63 63 VAL C C 176.416 0.003 1 307 63 63 VAL CA C 62.350 0.042 1 308 63 63 VAL N N 122.225 0.000 1 309 64 64 THR H H 8.391 0.001 1 310 64 64 THR HA H 4.358 0.000 1 311 64 64 THR C C 174.084 0.002 1 312 64 64 THR CA C 61.873 0.000 1 313 64 64 THR N N 118.393 0.000 1 314 65 65 ASN H H 8.607 0.001 1 315 65 65 ASN HA H 4.774 0.006 1 316 65 65 ASN C C 175.314 0.000 1 317 65 65 ASN CA C 53.106 0.001 1 318 65 65 ASN N N 121.884 0.000 1 319 66 66 VAL H H 8.327 0.001 1 320 66 66 VAL HA H 4.116 0.001 1 321 66 66 VAL C C 176.943 0.002 1 322 66 66 VAL CA C 62.670 0.038 1 323 66 66 VAL N N 120.931 0.000 1 324 67 67 GLY H H 8.639 0.000 1 325 67 67 GLY HA2 H 3.966 0.000 1 326 67 67 GLY HA3 H 3.966 0.000 1 327 67 67 GLY C C 174.713 0.002 1 328 67 67 GLY CA C 45.369 0.000 1 329 67 67 GLY N N 112.807 0.000 1 330 68 68 GLY H H 8.305 0.005 1 331 68 68 GLY HA2 H 3.939 0.000 1 332 68 68 GLY HA3 H 3.939 0.000 1 333 68 68 GLY C C 173.772 0.004 1 334 68 68 GLY CA C 45.007 0.000 1 335 68 68 GLY N N 108.928 0.000 1 336 69 69 ALA H H 8.239 0.001 1 337 69 69 ALA HA H 4.344 0.001 1 338 69 69 ALA C C 177.726 0.001 1 339 69 69 ALA CA C 52.317 0.022 1 340 69 69 ALA N N 123.881 0.000 1 341 70 70 VAL H H 8.307 0.002 1 342 70 70 VAL HA H 4.084 0.000 1 343 70 70 VAL C C 176.407 0.004 1 344 70 70 VAL CA C 62.435 0.000 1 345 70 70 VAL N N 120.795 0.000 1 346 71 71 VAL H H 8.486 0.003 1 347 71 71 VAL HA H 4.213 0.004 1 348 71 71 VAL C C 176.353 0.003 1 349 71 71 VAL CA C 62.106 0.036 1 350 71 71 VAL N N 125.766 0.000 1 351 72 72 THR H H 8.397 0.003 1 352 72 72 THR HA H 4.356 0.000 1 353 72 72 THR C C 174.949 0.004 1 354 72 72 THR CA C 61.870 0.000 1 355 72 72 THR N N 118.955 0.000 1 356 73 73 GLY H H 8.518 0.002 1 357 73 73 GLY HA2 H 3.986 0.000 1 358 73 73 GLY HA3 H 3.986 0.000 1 359 73 73 GLY C C 174.041 0.000 1 360 73 73 GLY CA C 45.211 0.000 1 361 73 73 GLY N N 111.492 0.000 1 362 74 74 VAL H H 8.165 0.002 1 363 74 74 VAL HA H 4.184 0.002 1 364 74 74 VAL C C 176.627 0.001 1 365 74 74 VAL CA C 62.331 0.021 1 366 74 74 VAL N N 119.710 0.000 1 367 75 75 THR H H 8.390 0.002 1 368 75 75 THR HA H 4.304 0.000 1 369 75 75 THR C C 174.109 0.003 1 370 75 75 THR CA C 61.983 0.000 1 371 75 75 THR N N 119.348 0.000 1 372 76 76 ALA H H 8.461 0.002 1 373 76 76 ALA HA H 4.340 0.001 1 374 76 76 ALA C C 177.628 0.000 1 375 76 76 ALA CA C 52.447 0.005 1 376 76 76 ALA N N 127.679 0.000 1 377 77 77 VAL H H 8.241 0.002 1 378 77 77 VAL HA H 4.052 0.000 1 379 77 77 VAL C C 176.076 0.005 1 380 77 77 VAL CA C 62.261 0.000 1 381 77 77 VAL N N 120.391 0.000 1 382 78 78 ALA H H 8.496 0.002 1 383 78 78 ALA HA H 4.286 0.000 1 384 78 78 ALA C C 177.703 0.000 1 385 78 78 ALA CA C 52.490 0.000 1 386 78 78 ALA N N 128.442 0.000 1 387 79 79 GLN H H 8.483 0.001 1 388 79 79 GLN HA H 4.285 0.000 1 389 79 79 GLN C C 176.013 0.002 1 390 79 79 GLN CA C 55.675 0.000 1 391 79 79 GLN N N 120.562 0.000 1 392 80 80 LYS H H 8.521 0.002 1 393 80 80 LYS HA H 4.364 0.000 1 394 80 80 LYS C C 176.753 0.001 1 395 80 80 LYS CA C 56.341 0.000 1 396 80 80 LYS N N 123.561 0.000 1 397 81 81 THR H H 8.382 0.002 1 398 81 81 THR HA H 4.338 0.000 1 399 81 81 THR C C 174.482 0.000 1 400 81 81 THR CA C 61.987 0.000 1 401 81 81 THR N N 117.204 0.000 1 402 82 82 VAL H H 8.397 0.001 1 403 82 82 VAL HA H 4.112 0.000 1 404 82 82 VAL C C 176.217 0.001 1 405 82 82 VAL CA C 62.317 0.000 1 406 82 82 VAL N N 123.344 0.000 1 407 83 83 GLU H H 8.660 0.002 1 408 83 83 GLU HA H 4.254 0.000 1 409 83 83 GLU C C 177.095 0.002 1 410 83 83 GLU CA C 56.829 0.000 1 411 83 83 GLU N N 125.593 0.000 1 412 84 84 GLY H H 8.601 0.001 1 413 84 84 GLY HA2 H 3.954 0.000 1 414 84 84 GLY HA3 H 3.954 0.000 1 415 84 84 GLY C C 174.204 0.006 1 416 84 84 GLY CA C 45.281 0.000 1 417 84 84 GLY N N 110.938 0.000 1 418 85 85 ALA H H 8.340 0.001 1 419 85 85 ALA HA H 4.301 0.000 1 420 85 85 ALA C C 178.577 0.000 1 421 85 85 ALA CA C 52.927 0.000 1 422 85 85 ALA N N 124.078 0.000 1 423 86 86 GLY H H 8.574 0.003 1 424 86 86 GLY HA2 H 3.963 0.000 1 425 86 86 GLY HA3 H 3.963 0.000 1 426 86 86 GLY C C 174.338 0.003 1 427 86 86 GLY CA C 45.288 0.000 1 428 86 86 GLY N N 108.366 0.000 1 429 87 87 SER H H 8.223 0.001 1 430 87 87 SER HA H 4.455 0.001 1 431 87 87 SER C C 174.760 0.003 1 432 87 87 SER CA C 58.355 0.032 1 433 87 87 SER N N 115.831 0.000 1 434 88 88 ILE H H 8.275 0.000 1 435 88 88 ILE HA H 4.164 0.003 1 436 88 88 ILE C C 176.340 0.002 1 437 88 88 ILE CA C 61.279 0.041 1 438 88 88 ILE N N 122.979 0.000 1 439 89 89 ALA H H 8.434 0.002 1 440 89 89 ALA HA H 4.244 0.000 1 441 89 89 ALA C C 177.628 0.001 1 442 89 89 ALA CA C 52.614 0.000 1 443 89 89 ALA N N 128.317 0.000 1 444 90 90 ALA H H 8.299 0.002 1 445 90 90 ALA HA H 4.249 0.000 1 446 90 90 ALA C C 177.789 0.001 1 447 90 90 ALA CA C 52.448 0.000 1 448 90 90 ALA N N 123.545 0.000 1 449 91 91 ALA H H 8.378 0.003 1 450 91 91 ALA HA H 4.352 0.003 1 451 91 91 ALA C C 178.208 0.002 1 452 91 91 ALA CA C 52.614 0.010 1 453 91 91 ALA N N 123.628 0.000 1 454 92 92 THR H H 8.183 0.002 1 455 92 92 THR HA H 4.297 0.000 1 456 92 92 THR C C 175.214 0.000 1 457 92 92 THR CA C 62.043 0.000 1 458 92 92 THR N N 112.895 0.000 1 459 93 93 GLY H H 8.382 0.002 1 460 93 93 GLY HA2 H 3.907 0.000 1 461 93 93 GLY HA3 H 3.907 0.000 1 462 93 93 GLY C C 173.645 0.004 1 463 93 93 GLY CA C 45.143 0.000 1 464 93 93 GLY N N 110.819 0.000 1 465 94 94 PHE H H 8.164 0.001 1 466 94 94 PHE HA H 4.596 0.004 1 467 94 94 PHE C C 175.534 0.000 1 468 94 94 PHE CA C 57.885 0.033 1 469 94 94 PHE N N 120.466 0.000 1 470 95 95 VAL H H 8.132 0.002 1 471 95 95 VAL HA H 4.000 0.002 1 472 95 95 VAL C C 175.432 0.006 1 473 95 95 VAL CA C 61.968 0.046 1 474 95 95 VAL N N 124.133 0.000 1 475 96 96 LYS H H 8.480 0.001 1 476 96 96 LYS HA H 4.211 0.000 1 477 96 96 LYS C C 176.517 0.010 1 478 96 96 LYS CA C 56.460 0.000 1 479 96 96 LYS N N 126.700 0.000 1 480 97 97 LYS H H 8.557 0.002 1 481 97 97 LYS HA H 4.288 0.000 1 482 97 97 LYS C C 176.420 0.010 1 483 97 97 LYS CA C 56.480 0.000 1 484 97 97 LYS N N 124.003 0.000 1 485 98 98 ASP H H 8.483 0.001 1 486 98 98 ASP HA H 4.562 0.002 1 487 98 98 ASP C C 176.259 0.002 1 488 98 98 ASP CA C 54.416 0.035 1 489 98 98 ASP N N 121.398 0.000 1 490 99 99 GLN H H 8.427 0.001 1 491 99 99 GLN HA H 4.313 0.000 1 492 99 99 GLN C C 176.067 0.005 1 493 99 99 GLN CA C 55.854 0.000 1 494 99 99 GLN N N 120.338 0.000 1 495 100 100 LEU H H 8.386 0.001 1 496 100 100 LEU HA H 4.332 0.001 1 497 100 100 LEU C C 178.062 0.001 1 498 100 100 LEU CA C 55.352 0.025 1 499 100 100 LEU N N 123.029 0.000 1 500 101 101 GLY H H 8.559 0.002 1 501 101 101 GLY HA2 H 3.938 0.000 1 502 101 101 GLY HA3 H 3.938 0.000 1 503 101 101 GLY C C 174.118 0.002 1 504 101 101 GLY CA C 45.279 0.000 1 505 101 101 GLY N N 109.969 0.000 1 506 102 102 LYS H H 8.289 0.000 1 507 102 102 LYS HA H 4.306 0.000 1 508 102 102 LYS C C 176.524 0.005 1 509 102 102 LYS CA C 56.223 0.000 1 510 102 102 LYS N N 120.901 0.000 1 511 103 103 ASN H H 8.700 0.002 1 512 103 103 ASN HA H 4.691 0.002 1 513 103 103 ASN C C 175.360 0.000 1 514 103 103 ASN CA C 53.299 0.040 1 515 103 103 ASN N N 120.147 0.000 1 516 104 104 GLU H H 8.554 0.001 1 517 104 104 GLU HA H 4.295 0.000 1 518 104 104 GLU C C 176.605 0.002 1 519 104 104 GLU CA C 56.489 0.000 1 520 104 104 GLU N N 121.544 0.000 1 521 105 105 GLU H H 8.543 0.003 1 522 105 105 GLU C C 177.097 0.000 1 523 105 105 GLU CA C 56.520 0.000 1 524 105 105 GLU N N 122.027 0.000 1 525 106 106 GLY H H 8.514 0.001 1 526 106 106 GLY HA2 H 3.925 0.000 1 527 106 106 GLY HA3 H 3.925 0.000 1 528 106 106 GLY C C 173.476 0.001 1 529 106 106 GLY CA C 45.003 0.000 1 530 106 106 GLY N N 110.122 0.000 1 531 107 107 ALA H H 8.200 0.001 1 532 107 107 ALA N N 125.064 0.000 1 533 108 108 PRO HA H 4.428 0.008 1 534 108 108 PRO C C 177.087 0.004 1 535 108 108 PRO CA C 63.025 0.057 1 536 109 109 GLN H H 8.678 0.001 1 537 109 109 GLN HA H 4.295 0.000 1 538 109 109 GLN C C 176.041 0.002 1 539 109 109 GLN CA C 55.676 0.000 1 540 109 109 GLN N N 121.414 0.000 1 541 110 110 GLU H H 8.613 0.001 1 542 110 110 GLU HA H 4.287 0.000 1 543 110 110 GLU C C 176.797 0.003 1 544 110 110 GLU CA C 56.500 0.000 1 545 110 110 GLU N N 122.795 0.000 1 546 111 111 GLY H H 8.516 0.001 1 547 111 111 GLY HA2 H 3.944 0.000 1 548 111 111 GLY HA3 H 3.944 0.000 1 549 111 111 GLY C C 173.791 0.003 1 550 111 111 GLY CA C 45.252 0.000 1 551 111 111 GLY N N 110.168 0.000 1 552 112 112 ILE H H 8.084 0.003 1 553 112 112 ILE HA H 4.168 0.002 1 554 112 112 ILE C C 176.338 0.000 1 555 112 112 ILE CA C 60.885 0.042 1 556 112 112 ILE N N 120.359 0.000 1 557 113 113 LEU H H 8.501 0.003 1 558 113 113 LEU HA H 4.390 0.000 1 559 113 113 LEU C C 177.203 0.001 1 560 113 113 LEU CA C 54.983 0.016 1 561 113 113 LEU N N 127.348 0.000 1 562 114 114 GLU H H 8.507 0.001 1 563 114 114 GLU HA H 4.247 0.000 1 564 114 114 GLU C C 175.935 0.000 1 565 114 114 GLU CA C 56.423 0.000 1 566 114 114 GLU N N 122.355 0.000 1 567 115 115 ASP H H 8.445 0.001 1 568 115 115 ASP HA H 4.562 0.001 1 569 115 115 ASP C C 175.849 0.001 1 570 115 115 ASP CA C 54.279 0.002 1 571 115 115 ASP N N 121.663 0.000 1 572 116 116 MET H H 8.351 0.000 1 573 116 116 MET N N 122.231 0.000 1 574 117 117 PRO HA H 4.452 0.001 1 575 117 117 PRO C C 176.758 0.004 1 576 117 117 PRO CA C 62.880 0.024 1 577 118 118 VAL H H 8.399 0.002 1 578 118 118 VAL HA H 4.062 0.000 1 579 118 118 VAL C C 175.844 0.003 1 580 118 118 VAL CA C 61.940 0.000 1 581 118 118 VAL N N 121.120 0.000 1 582 119 119 ASP H H 8.619 0.003 1 583 119 119 ASP N N 126.304 0.000 1 584 120 120 PRO HA H 4.331 0.008 1 585 120 120 PRO C C 176.931 0.017 1 586 120 120 PRO CA C 63.418 0.040 1 587 121 121 ASP H H 8.455 0.001 1 588 121 121 ASP HA H 4.597 0.000 1 589 121 121 ASP C C 176.216 0.003 1 590 121 121 ASP CA C 54.508 0.034 1 591 121 121 ASP N N 119.468 0.000 1 592 122 122 ASN H H 8.185 0.000 1 593 122 122 ASN HA H 4.678 0.001 1 594 122 122 ASN C C 175.439 0.002 1 595 122 122 ASN CA C 53.389 0.050 1 596 122 122 ASN N N 119.283 0.000 1 597 123 123 GLU H H 8.459 0.000 1 598 123 123 GLU HA H 4.198 0.000 1 599 123 123 GLU C C 176.120 0.001 1 600 123 123 GLU CA C 56.244 0.000 1 601 123 123 GLU N N 121.981 0.000 1 602 124 124 ALA H H 8.312 0.004 1 603 124 124 ALA HA H 4.280 0.000 1 604 124 124 ALA C C 177.250 0.001 1 605 124 124 ALA CA C 52.301 0.000 1 606 124 124 ALA N N 124.648 0.000 1 607 125 125 TYR H H 8.120 0.001 1 608 125 125 TYR HA H 4.514 0.004 1 609 125 125 TYR C C 175.367 0.003 1 610 125 125 TYR CA C 57.761 0.042 1 611 125 125 TYR N N 120.305 0.000 1 612 126 126 GLU H H 8.206 0.000 1 613 126 126 GLU HA H 4.241 0.004 1 614 126 126 GLU C C 175.426 0.003 1 615 126 126 GLU CA C 55.545 0.014 1 616 126 126 GLU N N 124.201 0.000 1 617 127 127 MET H H 8.511 0.001 1 618 127 127 MET N N 124.197 0.000 1 619 128 128 PRO HA H 4.432 0.004 1 620 128 128 PRO C C 176.918 0.006 1 621 128 128 PRO CA C 62.996 0.027 1 622 129 129 SER H H 8.583 0.001 1 623 129 129 SER HA H 4.412 0.003 1 624 129 129 SER C C 174.843 0.003 1 625 129 129 SER CA C 58.244 0.031 1 626 129 129 SER N N 117.031 0.000 1 627 130 130 GLU H H 8.665 0.001 1 628 130 130 GLU HA H 4.320 0.000 1 629 130 130 GLU C C 176.507 0.023 1 630 130 130 GLU CA C 56.392 0.000 1 631 130 130 GLU N N 123.398 0.000 1 632 131 131 GLU H H 8.509 0.001 1 633 131 131 GLU HA H 4.244 0.000 1 634 131 131 GLU C C 177.023 0.014 1 635 131 131 GLU CA C 56.794 0.000 1 636 131 131 GLU N N 121.963 0.000 1 637 132 132 GLY H H 8.496 0.002 1 638 132 132 GLY HA2 H 3.895 0.000 1 639 132 132 GLY HA3 H 3.895 0.000 1 640 132 132 GLY C C 173.867 0.003 1 641 132 132 GLY CA C 45.122 0.000 1 642 132 132 GLY N N 110.102 0.000 1 643 133 133 TYR H H 8.147 0.001 1 644 133 133 TYR HA H 4.498 0.002 1 645 133 133 TYR C C 175.787 0.003 1 646 133 133 TYR CA C 58.129 0.026 1 647 133 133 TYR N N 120.477 0.000 1 648 134 134 GLN H H 8.290 0.000 1 649 134 134 GLN HA H 4.245 0.002 1 650 134 134 GLN C C 174.862 0.001 1 651 134 134 GLN CA C 55.346 0.007 1 652 134 134 GLN N N 122.949 0.000 1 653 135 135 ASP H H 8.310 0.002 1 654 135 135 ASP HA H 4.521 0.003 1 655 135 135 ASP C C 175.575 0.003 1 656 135 135 ASP CA C 54.202 0.026 1 657 135 135 ASP N N 121.875 0.000 1 658 136 136 TYR H H 8.120 0.001 1 659 136 136 TYR HA H 4.551 0.002 1 660 136 136 TYR C C 175.137 0.002 1 661 136 136 TYR CA C 57.552 0.032 1 662 136 136 TYR N N 120.657 0.000 1 663 137 137 GLU H H 8.338 0.001 1 664 137 137 GLU N N 125.641 0.000 1 665 138 138 PRO HA H 4.343 0.004 1 666 138 138 PRO C C 176.910 0.004 1 667 138 138 PRO CA C 62.868 0.042 1 668 139 139 GLU H H 8.604 0.001 1 669 139 139 GLU HA H 4.203 0.000 1 670 139 139 GLU C C 175.474 0.001 1 671 139 139 GLU CA C 56.596 0.000 1 672 139 139 GLU N N 121.794 0.000 1 673 140 140 ALA H H 8.089 0.002 1 674 140 140 ALA HA H 4.096 0.002 1 675 140 140 ALA C C 182.650 0.000 1 676 140 140 ALA CA C 53.794 0.000 1 677 140 140 ALA N N 131.132 0.000 1 stop_ save_ save_assigned_chem_shift_list_29 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $temp_5 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.124 0.002 1 2 1 1 MET C C 171.981 0.002 1 3 1 1 MET CA C 54.915 0.003 1 4 2 2 ASP H H 8.852 0.015 1 5 2 2 ASP HA H 4.709 0.000 1 6 2 2 ASP C C 175.836 0.000 1 7 2 2 ASP CA C 54.168 0.015 1 8 2 2 ASP N N 124.977 0.000 1 9 3 3 VAL H H 8.368 0.015 1 10 3 3 VAL HA H 4.017 0.006 1 11 3 3 VAL C C 175.944 0.001 1 12 3 3 VAL CA C 62.499 0.028 1 13 3 3 VAL N N 120.871 0.000 1 14 4 4 PHE H H 8.454 0.014 1 15 4 4 PHE HA H 4.598 0.000 1 16 4 4 PHE C C 175.829 0.000 1 17 4 4 PHE CA C 57.909 0.043 1 18 4 4 PHE N N 124.079 0.000 1 19 5 5 MET H H 8.301 0.016 1 20 5 5 MET HA H 4.377 0.000 1 21 5 5 MET C C 175.933 0.002 1 22 5 5 MET CA C 55.186 0.004 1 23 5 5 MET N N 122.848 0.000 1 24 6 6 LYS H H 8.370 0.024 1 25 6 6 LYS HA H 4.187 0.000 1 26 6 6 LYS C C 177.224 0.002 1 27 6 6 LYS N N 123.060 0.000 1 28 7 7 GLY H H 8.495 0.000 1 29 7 7 GLY C C 174.212 0.000 1 30 7 7 GLY CA C 45.190 0.000 1 31 7 7 GLY N N 110.216 0.000 1 32 8 8 LEU H H 8.153 0.017 1 33 8 8 LEU HA H 4.383 0.004 1 34 8 8 LEU C C 177.731 0.029 1 35 8 8 LEU CA C 55.081 0.029 1 36 8 8 LEU N N 121.723 0.000 1 37 9 9 SER H H 8.414 0.016 1 38 9 9 SER HA H 4.409 0.001 1 39 9 9 SER C C 174.613 0.004 1 40 9 9 SER CA C 58.362 0.053 1 41 9 9 SER N N 117.012 0.000 1 42 10 10 LYS H H 8.468 0.017 1 43 10 10 LYS HA H 4.363 0.000 1 44 10 10 LYS C C 176.776 0.000 1 45 10 10 LYS CA C 56.273 0.000 1 46 10 10 LYS N N 124.043 0.000 1 47 11 11 ALA H H 8.407 0.015 1 48 11 11 ALA HA H 4.248 0.000 1 49 11 11 ALA C C 178.026 0.000 1 50 11 11 ALA N N 125.449 0.000 1 51 12 12 LYS H H 8.431 0.003 1 52 12 12 LYS N N 121.200 0.000 1 53 13 13 GLU C C 177.131 0.000 1 54 14 14 GLY H H 8.542 0.001 1 55 14 14 GLY C C 174.088 0.000 1 56 14 14 GLY CA C 45.244 0.000 1 57 14 14 GLY N N 110.408 0.000 1 58 15 15 VAL H H 8.065 0.016 1 59 15 15 VAL C C 176.558 0.000 1 60 15 15 VAL CA C 62.648 0.000 1 61 15 15 VAL N N 120.513 0.000 1 62 16 16 VAL H H 8.400 0.018 1 63 16 16 VAL C C 176.136 0.000 1 64 16 16 VAL N N 125.797 0.000 1 65 17 17 ALA H H 8.534 0.001 1 66 17 17 ALA C C 177.822 0.000 1 67 17 17 ALA N N 128.735 0.000 1 68 18 18 ALA H H 8.400 0.002 1 69 18 18 ALA HA H 4.230 0.000 1 70 18 18 ALA C C 178.040 0.004 1 71 18 18 ALA CA C 52.752 0.000 1 72 18 18 ALA N N 123.916 0.000 1 73 19 19 ALA H H 8.366 0.017 1 74 19 19 ALA HA H 4.259 0.000 1 75 19 19 ALA C C 178.358 0.015 1 76 19 19 ALA N N 123.352 0.000 1 77 20 20 GLU H H 8.401 0.001 1 78 20 20 GLU C C 177.027 0.000 1 79 20 20 GLU CA C 56.740 0.000 1 80 20 20 GLU N N 120.432 0.000 1 81 21 21 LYS H H 8.426 0.016 1 82 21 21 LYS HA H 4.320 0.000 1 83 21 21 LYS C C 177.267 0.036 1 84 21 21 LYS N N 122.639 0.000 1 85 22 22 THR H H 8.225 0.001 1 86 22 22 THR C C 174.795 0.000 1 87 22 22 THR CA C 62.467 0.000 1 88 22 22 THR N N 115.824 0.000 1 89 23 23 LYS H H 8.443 0.018 1 90 23 23 LYS N N 124.083 0.000 1 91 24 24 GLN C C 176.731 0.000 1 92 25 25 GLY H H 8.546 0.001 1 93 25 25 GLY C C 174.376 0.000 1 94 25 25 GLY N N 110.744 0.000 1 95 26 26 VAL H H 8.095 0.000 1 96 26 26 VAL C C 176.561 0.000 1 97 26 26 VAL CA C 62.737 0.000 1 98 26 26 VAL N N 120.223 0.000 1 99 27 27 ALA H H 8.501 0.014 1 100 27 27 ALA HA H 4.270 0.000 1 101 27 27 ALA C C 178.318 0.003 1 102 27 27 ALA CA C 52.899 0.000 1 103 27 27 ALA N N 127.572 0.000 1 104 28 28 GLU H H 8.488 0.013 1 105 28 28 GLU CA C 56.844 0.000 1 106 28 28 GLU N N 120.808 0.000 1 107 29 29 ALA H H 8.389 0.017 1 108 29 29 ALA C C 177.885 0.000 1 109 29 29 ALA CA C 52.707 0.000 1 110 29 29 ALA N N 125.140 0.000 1 111 30 30 ALA H H 8.315 0.018 1 112 30 30 ALA HA H 4.283 0.000 1 113 30 30 ALA C C 178.589 0.003 1 114 30 30 ALA CA C 52.829 0.000 1 115 30 30 ALA N N 123.193 0.000 1 116 31 31 GLY H H 8.383 0.014 1 117 31 31 GLY C C 174.252 0.000 1 118 31 31 GLY N N 107.951 0.000 1 119 32 32 LYS H H 8.165 0.002 1 120 32 32 LYS HA H 4.418 0.002 1 121 32 32 LYS C C 177.111 0.009 1 122 32 32 LYS CA C 56.323 0.000 1 123 32 32 LYS N N 120.887 0.000 1 124 33 33 THR H H 8.314 0.000 1 125 33 33 THR HA H 4.333 0.000 1 126 33 33 THR C C 174.730 0.012 1 127 33 33 THR CA C 61.953 0.000 1 128 33 33 THR N N 116.041 0.000 1 129 34 34 LYS H H 8.572 0.017 1 130 34 34 LYS N N 124.164 0.000 1 131 35 35 GLU C C 177.019 0.000 1 132 36 36 GLY H H 8.509 0.001 1 133 36 36 GLY C C 174.053 0.000 1 134 36 36 GLY CA C 45.213 0.000 1 135 36 36 GLY N N 110.497 0.000 1 136 37 37 VAL H H 8.003 0.019 1 137 37 37 VAL HA H 4.057 0.000 1 138 37 37 VAL C C 176.046 0.009 1 139 37 37 VAL N N 119.876 0.000 1 140 38 38 LEU H H 8.374 0.002 1 141 38 38 LEU HA H 4.348 0.007 1 142 38 38 LEU C C 176.682 0.000 1 143 38 38 LEU CA C 54.941 0.018 1 144 38 38 LEU N N 126.196 0.000 1 145 39 39 TYR H H 8.383 0.018 1 146 39 39 TYR HA H 4.586 0.010 1 147 39 39 TYR C C 175.627 0.010 1 148 39 39 TYR CA C 57.909 0.000 1 149 39 39 TYR N N 122.937 0.000 1 150 40 40 VAL H H 8.147 0.001 1 151 40 40 VAL HA H 4.051 0.000 1 152 40 40 VAL C C 176.166 0.005 1 153 40 40 VAL CA C 62.168 0.000 1 154 40 40 VAL N N 123.987 0.000 1 155 41 41 GLY H H 8.093 0.015 1 156 41 41 GLY C C 173.980 0.000 1 157 41 41 GLY CA C 45.162 0.000 1 158 41 41 GLY N N 112.418 0.000 1 159 42 42 SER H H 8.342 0.021 1 160 42 42 SER HA H 4.438 0.001 1 161 42 42 SER C C 174.863 0.000 1 162 42 42 SER CA C 58.344 0.021 1 163 42 42 SER N N 115.765 0.000 1 164 43 43 LYS H H 8.571 0.016 1 165 43 43 LYS HA H 4.420 0.003 1 166 43 43 LYS C C 176.959 0.012 1 167 43 43 LYS CA C 56.383 0.060 1 168 43 43 LYS N N 123.718 0.000 1 169 44 44 THR H H 8.264 0.017 1 170 44 44 THR C C 174.639 0.000 1 171 44 44 THR CA C 61.922 0.000 1 172 44 44 THR N N 115.928 0.000 1 173 45 45 LYS H H 8.525 0.017 1 174 45 45 LYS N N 124.181 0.000 1 175 46 46 GLU C C 177.019 0.000 1 176 47 47 GLY H H 8.511 0.000 1 177 47 47 GLY C C 173.909 0.000 1 178 47 47 GLY CA C 45.213 0.000 1 179 47 47 GLY N N 110.496 0.000 1 180 48 48 VAL H H 8.010 0.014 1 181 48 48 VAL HA H 4.085 0.000 1 182 48 48 VAL C C 176.171 0.004 1 183 48 48 VAL N N 120.129 0.000 1 184 49 49 VAL H H 8.381 0.009 1 185 49 49 VAL HA H 4.057 0.000 1 186 49 49 VAL C C 176.024 0.013 1 187 49 49 VAL CA C 62.225 0.000 1 188 49 49 VAL N N 125.140 0.000 1 189 50 50 HIS H H 8.789 0.017 1 190 50 50 HIS HA H 4.717 0.000 1 191 50 50 HIS C C 174.929 0.000 1 192 50 50 HIS CA C 55.320 0.025 1 193 50 50 HIS N N 123.951 0.000 1 194 51 51 GLY H H 8.567 0.016 1 195 51 51 GLY C C 173.767 0.000 1 196 51 51 GLY CA C 45.051 0.000 1 197 51 51 GLY N N 110.837 0.000 1 198 52 52 VAL H H 8.192 0.016 1 199 52 52 VAL HA H 4.143 0.002 1 200 52 52 VAL C C 176.041 0.001 1 201 52 52 VAL CA C 61.971 0.025 1 202 52 52 VAL N N 119.869 0.000 1 203 53 53 ALA H H 8.594 0.015 1 204 53 53 ALA HA H 4.401 0.001 1 205 53 53 ALA C C 177.919 0.004 1 206 53 53 ALA CA C 52.353 0.026 1 207 53 53 ALA N N 128.636 0.000 1 208 54 54 THR H H 8.341 0.015 1 209 54 54 THR C C 174.592 0.000 1 210 54 54 THR CA C 61.876 0.000 1 211 54 54 THR N N 115.399 0.000 1 212 55 55 VAL H H 8.359 0.019 1 213 55 55 VAL HA H 4.074 0.000 1 214 55 55 VAL C C 175.947 0.002 1 215 55 55 VAL N N 123.341 0.000 1 216 56 56 ALA H H 8.518 0.001 1 217 56 56 ALA C C 177.891 0.000 1 218 56 56 ALA CA C 52.541 0.000 1 219 56 56 ALA N N 128.489 0.000 1 220 57 57 GLU H H 8.467 0.016 1 221 57 57 GLU N N 121.221 0.000 1 222 58 58 LYS H H 8.527 0.000 1 223 58 58 LYS HA H 4.363 0.000 1 224 58 58 LYS C C 177.036 0.034 1 225 58 58 LYS N N 123.257 0.000 1 226 59 59 THR H H 8.311 0.000 1 227 59 59 THR C C 174.690 0.000 1 228 59 59 THR N N 116.534 0.000 1 229 60 60 LYS H H 8.481 0.000 1 230 60 60 LYS N N 124.083 0.000 1 231 62 62 GLN C C 176.055 0.000 1 232 62 62 GLN CA C 55.758 0.000 1 233 63 63 VAL H H 8.390 0.018 1 234 63 63 VAL HA H 4.181 0.003 1 235 63 63 VAL C C 176.449 0.000 1 236 63 63 VAL CA C 62.316 0.000 1 237 63 63 VAL N N 122.406 0.000 1 238 64 64 THR H H 8.392 0.001 1 239 64 64 THR HA H 4.354 0.000 1 240 64 64 THR C C 174.088 0.002 1 241 64 64 THR N N 118.595 0.000 1 242 65 65 ASN H H 8.602 0.003 1 243 65 65 ASN HA H 4.780 0.001 1 244 65 65 ASN C C 175.346 0.000 1 245 65 65 ASN CA C 53.061 0.004 1 246 65 65 ASN N N 122.102 0.000 1 247 66 66 VAL H H 8.346 0.015 1 248 66 66 VAL HA H 4.112 0.002 1 249 66 66 VAL C C 176.979 0.002 1 250 66 66 VAL CA C 62.678 0.019 1 251 66 66 VAL N N 121.124 0.000 1 252 67 67 GLY H H 8.651 0.017 1 253 67 67 GLY HA2 H 3.968 0.000 1 254 67 67 GLY HA3 H 3.968 0.000 1 255 67 67 GLY C C 174.725 0.003 1 256 67 67 GLY CA C 45.322 0.000 1 257 67 67 GLY N N 112.931 0.000 1 258 68 68 GLY H H 8.307 0.015 1 259 68 68 GLY C C 173.770 0.000 1 260 68 68 GLY CA C 44.948 0.000 1 261 68 68 GLY N N 108.989 0.000 1 262 69 69 ALA H H 8.248 0.017 1 263 69 69 ALA HA H 4.338 0.003 1 264 69 69 ALA C C 177.755 0.002 1 265 69 69 ALA CA C 52.290 0.030 1 266 69 69 ALA N N 123.918 0.000 1 267 70 70 VAL H H 8.324 0.014 1 268 70 70 VAL HA H 4.080 0.000 1 269 70 70 VAL C C 176.438 0.001 1 270 70 70 VAL N N 120.959 0.000 1 271 71 71 VAL H H 8.498 0.005 1 272 71 71 VAL HA H 4.211 0.002 1 273 71 71 VAL C C 176.387 0.012 1 274 71 71 VAL CA C 62.097 0.000 1 275 71 71 VAL N N 126.048 0.000 1 276 72 72 THR H H 8.404 0.007 1 277 72 72 THR HA H 4.354 0.000 1 278 72 72 THR C C 174.945 0.018 1 279 72 72 THR CA C 61.922 0.000 1 280 72 72 THR N N 119.213 0.000 1 281 73 73 GLY H H 8.529 0.014 1 282 73 73 GLY C C 174.035 0.000 1 283 73 73 GLY N N 111.628 0.000 1 284 74 74 VAL H H 8.166 0.003 1 285 74 74 VAL HA H 4.185 0.000 1 286 74 74 VAL C C 176.627 0.000 1 287 74 74 VAL CA C 62.316 0.000 1 288 74 74 VAL N N 119.828 0.000 1 289 75 75 THR H H 8.394 0.007 1 290 75 75 THR HA H 4.305 0.000 1 291 75 75 THR C C 174.105 0.009 1 292 75 75 THR N N 119.656 0.000 1 293 76 76 ALA H H 8.471 0.000 1 294 76 76 ALA HA H 4.343 0.002 1 295 76 76 ALA C C 177.638 0.015 1 296 76 76 ALA CA C 52.415 0.027 1 297 76 76 ALA N N 127.842 0.000 1 298 77 77 VAL H H 8.264 0.011 1 299 77 77 VAL HA H 4.041 0.000 1 300 77 77 VAL C C 176.116 0.010 1 301 77 77 VAL N N 120.643 0.000 1 302 78 78 ALA H H 8.508 0.000 1 303 78 78 ALA HA H 4.285 0.000 1 304 78 78 ALA C C 177.736 0.002 1 305 78 78 ALA CA C 52.464 0.000 1 306 78 78 ALA N N 128.612 0.000 1 307 79 79 GLN H H 8.507 0.014 1 308 79 79 GLN C C 176.037 0.000 1 309 79 79 GLN CA C 55.653 0.000 1 310 79 79 GLN N N 120.702 0.000 1 311 80 80 LYS H H 8.537 0.016 1 312 80 80 LYS HA H 4.363 0.000 1 313 80 80 LYS C C 176.776 0.000 1 314 80 80 LYS CA C 56.273 0.000 1 315 80 80 LYS N N 123.707 0.000 1 316 81 81 THR H H 8.405 0.017 1 317 81 81 THR HA H 4.336 0.000 1 318 81 81 THR C C 174.477 0.011 1 319 81 81 THR N N 117.453 0.000 1 320 82 82 VAL H H 8.406 0.001 1 321 82 82 VAL HA H 4.107 0.000 1 322 82 82 VAL C C 176.235 0.007 1 323 82 82 VAL CA C 62.299 0.000 1 324 82 82 VAL N N 123.567 0.000 1 325 83 83 GLU H H 8.672 0.018 1 326 83 83 GLU C C 177.096 0.000 1 327 83 83 GLU CA C 56.771 0.000 1 328 83 83 GLU N N 125.745 0.000 1 329 84 84 GLY H H 8.620 0.016 1 330 84 84 GLY C C 174.205 0.000 1 331 84 84 GLY CA C 45.162 0.000 1 332 84 84 GLY N N 111.019 0.000 1 333 85 85 ALA H H 8.349 0.016 1 334 85 85 ALA HA H 4.302 0.000 1 335 85 85 ALA C C 178.620 0.004 1 336 85 85 ALA CA C 52.893 0.000 1 337 85 85 ALA N N 124.096 0.000 1 338 86 86 GLY H H 8.587 0.016 1 339 86 86 GLY HA2 H 3.966 0.000 1 340 86 86 GLY HA3 H 3.966 0.000 1 341 86 86 GLY C C 174.343 0.001 1 342 86 86 GLY CA C 45.212 0.000 1 343 86 86 GLY N N 108.418 0.000 1 344 87 87 SER H H 8.222 0.019 1 345 87 87 SER HA H 4.454 0.001 1 346 87 87 SER C C 174.764 0.002 1 347 87 87 SER CA C 58.340 0.006 1 348 87 87 SER N N 115.901 0.000 1 349 88 88 ILE H H 8.284 0.020 1 350 88 88 ILE HA H 4.161 0.002 1 351 88 88 ILE C C 176.379 0.008 1 352 88 88 ILE CA C 61.272 0.032 1 353 88 88 ILE N N 123.138 0.000 1 354 89 89 ALA H H 8.448 0.017 1 355 89 89 ALA HA H 4.243 0.000 1 356 89 89 ALA C C 177.661 0.003 1 357 89 89 ALA CA C 52.602 0.000 1 358 89 89 ALA N N 128.462 0.000 1 359 90 90 ALA H H 8.317 0.015 1 360 90 90 ALA C C 177.818 0.000 1 361 90 90 ALA CA C 52.424 0.000 1 362 90 90 ALA N N 123.645 0.000 1 363 91 91 ALA H H 8.390 0.015 1 364 91 91 ALA HA H 4.348 0.001 1 365 91 91 ALA C C 178.243 0.002 1 366 91 91 ALA CA C 52.602 0.002 1 367 91 91 ALA N N 123.759 0.000 1 368 92 92 THR H H 8.205 0.016 1 369 92 92 THR HA H 4.294 0.000 1 370 92 92 THR C C 175.244 0.004 1 371 92 92 THR N N 113.059 0.000 1 372 93 93 GLY H H 8.386 0.000 1 373 93 93 GLY HA2 H 3.909 0.000 1 374 93 93 GLY HA3 H 3.909 0.000 1 375 93 93 GLY C C 173.645 0.004 1 376 93 93 GLY CA C 45.151 0.000 1 377 93 93 GLY N N 110.958 0.000 1 378 94 94 PHE H H 8.171 0.019 1 379 94 94 PHE HA H 4.590 0.008 1 380 94 94 PHE C C 175.567 0.013 1 381 94 94 PHE CA C 57.867 0.000 1 382 94 94 PHE N N 120.599 0.000 1 383 95 95 VAL H H 8.128 0.001 1 384 95 95 VAL HA H 3.994 0.004 1 385 95 95 VAL C C 175.426 0.001 1 386 95 95 VAL CA C 61.902 0.000 1 387 95 95 VAL N N 124.425 0.000 1 388 96 96 LYS H H 8.477 0.001 1 389 96 96 LYS HA H 4.211 0.000 1 390 96 96 LYS C C 176.515 0.000 1 391 96 96 LYS N N 126.843 0.000 1 392 97 97 LYS H H 8.559 0.000 1 393 97 97 LYS HA H 4.291 0.000 1 394 97 97 LYS C C 176.438 0.001 1 395 97 97 LYS N N 124.164 0.000 1 396 98 98 ASP H H 8.486 0.006 1 397 98 98 ASP HA H 4.555 0.001 1 398 98 98 ASP C C 176.281 0.012 1 399 98 98 ASP CA C 54.386 0.000 1 400 98 98 ASP N N 121.507 0.000 1 401 99 99 GLN H H 8.438 0.016 1 402 99 99 GLN C C 176.116 0.000 1 403 99 99 GLN CA C 55.758 0.000 1 404 99 99 GLN N N 120.477 0.000 1 405 100 100 LEU H H 8.392 0.017 1 406 100 100 LEU HA H 4.335 0.001 1 407 100 100 LEU C C 178.072 0.021 1 408 100 100 LEU CA C 55.337 0.008 1 409 100 100 LEU N N 123.111 0.000 1 410 101 101 GLY H H 8.568 0.015 1 411 101 101 GLY C C 174.138 0.000 1 412 101 101 GLY CA C 45.242 0.000 1 413 101 101 GLY N N 110.044 0.000 1 414 102 102 LYS H H 8.298 0.016 1 415 102 102 LYS C C 176.554 0.000 1 416 102 102 LYS CA C 56.210 0.000 1 417 102 102 LYS N N 120.955 0.000 1 418 103 103 ASN H H 8.711 0.016 1 419 103 103 ASN HA H 4.691 0.004 1 420 103 103 ASN C C 175.376 0.014 1 421 103 103 ASN CA C 53.302 0.016 1 422 103 103 ASN N N 120.179 0.000 1 423 104 104 GLU H H 8.552 0.014 1 424 104 104 GLU N N 121.598 0.000 1 425 105 105 GLU C C 177.097 0.000 1 426 106 106 GLY H H 8.511 0.001 1 427 106 106 GLY HA2 H 3.928 0.000 1 428 106 106 GLY HA3 H 3.928 0.000 1 429 106 106 GLY C C 173.479 0.003 1 430 106 106 GLY CA C 44.942 0.000 1 431 106 106 GLY N N 110.208 0.000 1 432 107 107 ALA H H 8.207 0.015 1 433 107 107 ALA N N 125.116 0.000 1 434 108 108 PRO HA H 4.425 0.005 1 435 108 108 PRO C C 177.101 0.001 1 436 108 108 PRO CA C 63.010 0.023 1 437 109 109 GLN H H 8.692 0.016 1 438 109 109 GLN C C 176.056 0.000 1 439 109 109 GLN CA C 55.620 0.000 1 440 109 109 GLN N N 121.489 0.000 1 441 110 110 GLU H H 8.624 0.016 1 442 110 110 GLU N N 122.887 0.000 1 443 111 111 GLY H H 8.517 0.000 1 444 111 111 GLY C C 173.805 0.000 1 445 111 111 GLY CA C 45.192 0.000 1 446 111 111 GLY N N 110.294 0.000 1 447 112 112 ILE H H 8.095 0.016 1 448 112 112 ILE HA H 4.161 0.002 1 449 112 112 ILE C C 176.389 0.002 1 450 112 112 ILE CA C 60.897 0.020 1 451 112 112 ILE N N 120.438 0.000 1 452 113 113 LEU H H 8.509 0.017 1 453 113 113 LEU HA H 4.387 0.001 1 454 113 113 LEU C C 177.228 0.007 1 455 113 113 LEU CA C 54.952 0.004 1 456 113 113 LEU N N 127.436 0.000 1 457 114 114 GLU H H 8.517 0.021 1 458 114 114 GLU HA H 4.250 0.000 1 459 114 114 GLU C C 175.944 0.002 1 460 115 115 ASP H H 8.444 0.001 1 461 115 115 ASP HA H 4.569 0.000 1 462 115 115 ASP C C 175.844 0.000 1 463 115 115 ASP CA C 54.245 0.062 1 464 115 115 ASP N N 121.674 0.000 1 465 116 116 MET H H 8.361 0.021 1 466 116 116 MET N N 122.283 0.000 1 467 117 117 PRO HA H 4.452 0.000 1 468 117 117 PRO C C 176.740 0.000 1 469 117 117 PRO CA C 62.802 0.018 1 470 118 118 VAL H H 8.426 0.018 1 471 118 118 VAL HA H 4.044 0.000 1 472 118 118 VAL C C 175.856 0.000 1 473 118 118 VAL N N 121.272 0.000 1 474 119 119 ASP H H 8.628 0.001 1 475 119 119 ASP N N 126.394 0.000 1 476 120 120 PRO HA H 4.307 0.009 1 477 120 120 PRO C C 176.940 0.010 1 478 120 120 PRO CA C 63.430 0.015 1 479 121 121 ASP H H 8.454 0.016 1 480 121 121 ASP HA H 4.602 0.001 1 481 121 121 ASP C C 176.177 0.003 1 482 121 121 ASP CA C 54.451 0.006 1 483 121 121 ASP N N 119.383 0.000 1 484 122 122 ASN H H 8.177 0.018 1 485 122 122 ASN HA H 4.684 0.000 1 486 122 122 ASN C C 175.424 0.044 1 487 122 122 ASN CA C 53.361 0.043 1 488 122 122 ASN N N 119.363 0.000 1 489 123 123 GLU H H 8.461 0.015 1 490 123 123 GLU HA H 4.209 0.000 1 491 123 123 GLU C C 176.118 0.018 1 492 123 123 GLU N N 122.027 0.000 1 493 124 124 ALA H H 8.314 0.001 1 494 124 124 ALA HA H 4.278 0.000 1 495 124 124 ALA C C 177.302 0.003 1 496 124 124 ALA CA C 52.308 0.000 1 497 124 124 ALA N N 124.611 0.000 1 498 125 125 TYR H H 8.120 0.010 1 499 125 125 TYR HA H 4.504 0.000 1 500 125 125 TYR C C 175.382 0.000 1 501 125 125 TYR CA C 57.796 0.000 1 502 125 125 TYR N N 120.319 0.000 1 503 126 126 GLU H H 8.171 0.001 1 504 126 126 GLU HA H 4.240 0.001 1 505 126 126 GLU C C 175.376 0.000 1 506 126 126 GLU CA C 55.406 0.061 1 507 126 126 GLU N N 124.277 0.000 1 508 127 127 MET H H 8.510 0.015 1 509 127 127 MET N N 124.221 0.000 1 510 128 128 PRO HA H 4.426 0.004 1 511 128 128 PRO C C 176.933 0.013 1 512 128 128 PRO CA C 63.016 0.031 1 513 129 129 SER H H 8.587 0.017 1 514 129 129 SER HA H 4.410 0.002 1 515 129 129 SER C C 174.868 0.005 1 516 129 129 SER CA C 58.238 0.018 1 517 129 129 SER N N 117.051 0.000 1 518 130 130 GLU H H 8.664 0.015 1 519 130 130 GLU C C 176.504 0.000 1 520 130 130 GLU N N 123.401 0.000 1 521 131 131 GLU H H 8.506 0.000 1 522 131 131 GLU C C 177.020 0.000 1 523 132 132 GLY H H 8.492 0.002 1 524 132 132 GLY C C 173.896 0.000 1 525 132 132 GLY CA C 45.067 0.000 1 526 132 132 GLY N N 110.228 0.000 1 527 133 133 TYR H H 8.149 0.015 1 528 133 133 TYR HA H 4.498 0.007 1 529 133 133 TYR C C 175.816 0.002 1 530 133 133 TYR CA C 58.206 0.036 1 531 133 133 TYR N N 120.582 0.000 1 532 134 134 GLN H H 8.292 0.017 1 533 134 134 GLN HA H 4.236 0.005 1 534 134 134 GLN C C 174.859 0.002 1 535 134 134 GLN CA C 55.332 0.013 1 536 134 134 GLN N N 123.109 0.000 1 537 135 135 ASP H H 8.314 0.016 1 538 135 135 ASP HA H 4.521 0.004 1 539 135 135 ASP C C 175.558 0.005 1 540 135 135 ASP CA C 54.126 0.003 1 541 135 135 ASP N N 121.835 0.000 1 542 136 136 TYR H H 8.139 0.014 1 543 136 136 TYR HA H 4.549 0.001 1 544 136 136 TYR C C 175.166 0.004 1 545 136 136 TYR CA C 57.593 0.014 1 546 136 136 TYR N N 120.857 0.000 1 547 137 137 GLU H H 8.322 0.015 1 548 137 137 GLU N N 125.660 0.000 1 549 138 138 PRO HA H 4.336 0.007 1 550 138 138 PRO C C 176.918 0.013 1 551 138 138 PRO CA C 62.823 0.017 1 552 139 139 GLU H H 8.608 0.015 1 553 139 139 GLU HA H 4.212 0.000 1 554 139 139 GLU C C 175.478 0.001 1 555 139 139 GLU CA C 56.483 0.000 1 556 139 139 GLU N N 121.813 0.000 1 557 140 140 ALA H H 8.114 0.016 1 558 140 140 ALA HA H 4.095 0.002 1 559 140 140 ALA C C 182.675 0.000 1 560 140 140 ALA CA C 53.809 0.000 1 561 140 140 ALA N N 131.182 0.000 1 stop_ save_ save_assigned_chem_shift_list_30 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D H(NCO)CA' '2D HA(CA)CO' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $temp_15 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.115 0.003 1 2 1 1 MET C C 172.034 0.001 1 3 1 1 MET CA C 55.035 0.035 1 4 2 2 ASP H H 8.811 0.010 1 5 2 2 ASP HA H 4.716 0.006 1 6 2 2 ASP C C 175.814 0.014 1 7 2 2 ASP CA C 54.212 0.042 1 8 2 2 ASP N N 124.858 0.000 1 9 3 3 VAL H H 8.308 0.001 1 10 3 3 VAL HA H 4.024 0.001 1 11 3 3 VAL C C 175.913 0.002 1 12 3 3 VAL CA C 62.533 0.047 1 13 3 3 VAL N N 120.593 0.000 1 14 4 4 PHE H H 8.398 0.001 1 15 4 4 PHE HA H 4.603 0.003 1 16 4 4 PHE C C 175.838 0.000 1 17 4 4 PHE CA C 57.899 0.060 1 18 4 4 PHE N N 123.781 0.000 1 19 5 5 MET H H 8.264 0.001 1 20 5 5 MET HA H 4.390 0.001 1 21 5 5 MET C C 175.947 0.012 1 22 5 5 MET CA C 55.327 0.034 1 23 5 5 MET N N 122.529 0.000 1 24 6 6 LYS H H 8.317 0.002 1 25 6 6 LYS HA H 4.204 0.000 1 26 6 6 LYS C C 177.178 0.006 1 27 6 6 LYS N N 122.788 0.000 1 28 7 7 GLY H H 8.458 0.001 1 29 7 7 GLY C C 174.208 0.000 1 30 7 7 GLY CA C 45.353 0.000 1 31 7 7 GLY N N 110.050 0.000 1 32 8 8 LEU H H 8.107 0.004 1 33 8 8 LEU HA H 4.377 0.012 1 34 8 8 LEU C C 177.693 0.002 1 35 8 8 LEU CA C 55.182 0.019 1 36 8 8 LEU N N 121.646 0.000 1 37 9 9 SER H H 8.367 0.001 1 38 9 9 SER HA H 4.417 0.000 1 39 9 9 SER C C 174.596 0.009 1 40 9 9 SER CA C 58.376 0.069 1 41 9 9 SER N N 116.811 0.000 1 42 10 10 LYS H H 8.412 0.002 1 43 10 10 LYS CA C 56.349 0.000 1 44 10 10 LYS N N 123.758 0.000 1 45 11 11 ALA H H 8.339 0.000 1 46 11 11 ALA HA H 4.243 0.000 1 47 11 11 ALA C C 177.950 0.000 1 48 11 11 ALA CA C 52.698 0.000 1 49 12 12 LYS H H 8.386 0.005 1 50 12 12 LYS N N 120.970 0.000 1 51 13 13 GLU C C 177.070 0.000 1 52 14 14 GLY H H 8.505 0.002 1 53 14 14 GLY C C 174.070 0.000 1 54 14 14 GLY CA C 45.366 0.000 1 55 14 14 GLY N N 110.183 0.000 1 56 15 15 VAL H H 8.017 0.003 1 57 15 15 VAL HA H 4.088 0.000 1 58 15 15 VAL C C 176.507 0.007 1 59 15 15 VAL CA C 62.612 0.000 1 60 15 15 VAL N N 120.225 0.000 1 61 16 16 VAL H H 8.337 0.001 1 62 16 16 VAL C C 176.042 0.000 1 63 16 16 VAL N N 125.362 0.000 1 64 17 17 ALA H H 8.489 0.001 1 65 17 17 ALA HA H 4.261 0.000 1 66 17 17 ALA C C 177.709 0.009 1 67 17 17 ALA CA C 52.589 0.000 1 68 17 17 ALA N N 128.556 0.000 1 69 18 18 ALA H H 8.357 0.000 1 70 18 18 ALA HA H 4.243 0.000 1 71 18 18 ALA C C 177.949 0.001 1 72 18 18 ALA CA C 52.789 0.000 1 73 18 18 ALA N N 123.795 0.000 1 74 19 19 ALA H H 8.321 0.002 1 75 19 19 ALA HA H 4.258 0.000 1 76 19 19 ALA C C 178.234 0.003 1 77 19 19 ALA CA C 52.741 0.000 1 78 19 19 ALA N N 123.186 0.000 1 79 20 20 GLU H H 8.372 0.002 1 80 20 20 GLU C C 176.979 0.000 1 81 20 20 GLU CA C 56.805 0.000 1 82 20 20 GLU N N 120.187 0.000 1 83 21 21 LYS H H 8.378 0.000 1 84 21 21 LYS HA H 4.333 0.000 1 85 21 21 LYS C C 177.204 0.007 1 86 21 21 LYS CA C 56.769 0.000 1 87 21 21 LYS N N 122.356 0.000 1 88 22 22 THR H H 8.175 0.002 1 89 22 22 THR C C 174.738 0.000 1 90 22 22 THR N N 115.351 0.000 1 91 23 23 LYS H H 8.387 0.001 1 92 23 23 LYS N N 123.831 0.000 1 93 24 24 GLN C C 176.638 0.000 1 94 25 25 GLY H H 8.526 0.000 1 95 25 25 GLY C C 174.296 0.000 1 96 25 25 GLY CA C 45.390 0.000 1 97 25 25 GLY N N 110.637 0.000 1 98 26 26 VAL H H 8.055 0.001 1 99 26 26 VAL HA H 4.056 0.000 1 100 26 26 VAL C C 176.467 0.004 1 101 26 26 VAL CA C 62.646 0.000 1 102 26 26 VAL N N 119.824 0.000 1 103 27 27 ALA H H 8.468 0.003 1 104 27 27 ALA HA H 4.289 0.000 1 105 27 27 ALA C C 178.170 0.001 1 106 27 27 ALA CA C 52.828 0.000 1 107 27 27 ALA N N 127.485 0.000 1 108 28 28 GLU H H 8.441 0.001 1 109 28 28 GLU CA C 56.874 0.000 1 110 28 28 GLU N N 120.652 0.000 1 111 29 29 ALA H H 8.343 0.002 1 112 29 29 ALA HA H 4.268 0.000 1 113 29 29 ALA C C 177.789 0.002 1 114 29 29 ALA CA C 52.758 0.000 1 115 29 29 ALA N N 125.021 0.000 1 116 30 30 ALA H H 8.281 0.001 1 117 30 30 ALA HA H 4.285 0.000 1 118 30 30 ALA C C 178.510 0.006 1 119 30 30 ALA CA C 52.854 0.000 1 120 30 30 ALA N N 123.142 0.000 1 121 31 31 GLY H H 8.358 0.001 1 122 31 31 GLY C C 174.256 0.000 1 123 31 31 GLY CA C 45.387 0.000 1 124 31 31 GLY N N 107.859 0.000 1 125 32 32 LYS H H 8.154 0.000 1 126 32 32 LYS HA H 4.419 0.002 1 127 32 32 LYS C C 177.070 0.012 1 128 32 32 LYS CA C 56.242 0.000 1 129 32 32 LYS N N 120.783 0.000 1 130 33 33 THR H H 8.271 0.002 1 131 33 33 THR HA H 4.328 0.000 1 132 33 33 THR C C 174.707 0.005 1 133 33 33 THR N N 115.683 0.000 1 134 34 34 LYS H H 8.516 0.000 1 135 34 34 LYS N N 123.924 0.000 1 136 35 35 GLU C C 176.993 0.000 1 137 36 36 GLY H H 8.473 0.002 1 138 36 36 GLY C C 174.062 0.000 1 139 36 36 GLY CA C 45.363 0.000 1 140 36 36 GLY N N 110.272 0.000 1 141 37 37 VAL H H 7.953 0.002 1 142 37 37 VAL HA H 4.059 0.000 1 143 37 37 VAL C C 175.987 0.015 1 144 37 37 VAL N N 119.630 0.000 1 145 38 38 LEU H H 8.325 0.000 1 146 38 38 LEU HA H 4.342 0.000 1 147 38 38 LEU CA C 54.978 0.045 1 148 38 38 LEU N N 125.890 0.000 1 149 39 39 TYR H H 8.314 0.000 1 150 39 39 TYR HA H 4.586 0.004 1 151 39 39 TYR C C 175.615 0.010 1 152 39 39 TYR CA C 57.901 0.025 1 153 39 39 TYR N N 122.524 0.000 1 154 40 40 VAL H H 8.121 0.001 1 155 40 40 VAL HA H 4.058 0.000 1 156 40 40 VAL C C 176.200 0.001 1 157 40 40 VAL CA C 62.253 0.000 1 158 40 40 VAL N N 123.424 0.000 1 159 41 41 GLY H H 8.090 0.002 1 160 41 41 GLY C C 173.993 0.000 1 161 41 41 GLY CA C 45.243 0.000 1 162 41 41 GLY N N 112.240 0.000 1 163 42 42 SER H H 8.293 0.002 1 164 42 42 SER HA H 4.445 0.000 1 165 42 42 SER C C 174.826 0.004 1 166 42 42 SER CA C 58.389 0.040 1 167 42 42 SER N N 115.667 0.000 1 168 43 43 LYS H H 8.524 0.001 1 169 43 43 LYS HA H 4.415 0.002 1 170 43 43 LYS C C 176.923 0.002 1 171 43 43 LYS CA C 56.450 0.043 1 172 43 43 LYS N N 123.543 0.000 1 173 44 44 THR H H 8.214 0.000 1 174 44 44 THR C C 174.629 0.000 1 175 44 44 THR N N 115.560 0.000 1 176 45 45 LYS H H 8.468 0.003 1 177 45 45 LYS N N 123.909 0.000 1 178 46 46 GLU C C 176.993 0.000 1 179 47 47 GLY H H 8.474 0.001 1 180 47 47 GLY C C 173.922 0.000 1 181 47 47 GLY CA C 45.277 0.000 1 182 47 47 GLY N N 110.272 0.000 1 183 48 48 VAL H H 7.962 0.001 1 184 48 48 VAL HA H 4.092 0.000 1 185 48 48 VAL C C 176.129 0.001 1 186 48 48 VAL N N 119.882 0.000 1 187 49 49 VAL H H 8.337 0.004 1 188 49 49 VAL HA H 4.059 0.000 1 189 49 49 VAL C C 175.970 0.002 1 190 49 49 VAL CA C 62.293 0.000 1 191 49 49 VAL N N 125.021 0.000 1 192 50 50 HIS H H 8.712 0.003 1 193 50 50 HIS HA H 4.716 0.000 1 194 50 50 HIS C C 174.986 0.029 1 195 50 50 HIS CA C 55.395 0.022 1 196 50 50 HIS N N 123.661 0.000 1 197 51 51 GLY H H 8.520 0.004 1 198 51 51 GLY C C 173.777 0.000 1 199 51 51 GLY N N 110.637 0.000 1 200 52 52 VAL H H 8.136 0.000 1 201 52 52 VAL HA H 4.147 0.003 1 202 52 52 VAL C C 175.970 0.003 1 203 52 52 VAL CA C 61.961 0.000 1 204 52 52 VAL N N 119.623 0.000 1 205 53 53 ALA H H 8.540 0.001 1 206 53 53 ALA HA H 4.406 0.004 1 207 53 53 ALA C C 177.862 0.002 1 208 53 53 ALA CA C 52.413 0.009 1 209 53 53 ALA N N 128.326 0.000 1 210 54 54 THR H H 8.270 0.001 1 211 54 54 THR C C 174.584 0.000 1 212 54 54 THR CA C 61.865 0.000 1 213 54 54 THR N N 114.983 0.000 1 214 55 55 VAL H H 8.285 0.003 1 215 55 55 VAL HA H 4.089 0.000 1 216 55 55 VAL C C 175.904 0.003 1 217 55 55 VAL N N 123.142 0.000 1 218 56 56 ALA H H 8.466 0.000 1 219 56 56 ALA HA H 4.302 0.000 1 220 56 56 ALA C C 177.829 0.007 1 221 56 56 ALA CA C 52.602 0.000 1 222 56 56 ALA N N 128.190 0.000 1 223 57 57 GLU H H 8.413 0.003 1 224 57 57 GLU N N 120.984 0.000 1 225 58 58 LYS H H 8.477 0.000 1 226 58 58 LYS HA H 4.351 0.000 1 227 58 58 LYS C C 177.017 0.004 1 228 58 58 LYS N N 122.907 0.000 1 229 59 59 THR H H 8.256 0.000 1 230 59 59 THR C C 174.685 0.000 1 231 59 59 THR N N 116.046 0.000 1 232 60 60 LYS H H 8.430 0.001 1 233 60 60 LYS N N 123.778 0.000 1 234 62 62 GLN C C 176.002 0.000 1 235 62 62 GLN CA C 55.848 0.000 1 236 63 63 VAL H H 8.330 0.003 1 237 63 63 VAL HA H 4.190 0.000 1 238 63 63 VAL C C 176.392 0.004 1 239 63 63 VAL CA C 62.340 0.000 1 240 63 63 VAL N N 122.036 0.000 1 241 64 64 THR H H 8.345 0.000 1 242 64 64 THR HA H 4.362 0.000 1 243 64 64 THR C C 174.085 0.001 1 244 64 64 THR N N 118.178 0.000 1 245 65 65 ASN H H 8.564 0.002 1 246 65 65 ASN HA H 4.774 0.003 1 247 65 65 ASN C C 175.288 0.002 1 248 65 65 ASN CA C 53.135 0.001 1 249 65 65 ASN N N 121.904 0.000 1 250 66 66 VAL H H 8.282 0.001 1 251 66 66 VAL HA H 4.119 0.000 1 252 66 66 VAL C C 176.906 0.003 1 253 66 66 VAL CA C 62.672 0.051 1 254 66 66 VAL N N 120.816 0.000 1 255 67 67 GLY H H 8.597 0.000 1 256 67 67 GLY HA2 H 3.967 0.000 1 257 67 67 GLY HA3 H 3.967 0.000 1 258 67 67 GLY C C 174.705 0.001 1 259 67 67 GLY CA C 45.396 0.000 1 260 67 67 GLY N N 112.704 0.000 1 261 68 68 GLY H H 8.274 0.001 1 262 68 68 GLY C C 173.774 0.000 1 263 68 68 GLY CA C 45.058 0.000 1 264 68 68 GLY N N 108.886 0.000 1 265 69 69 ALA H H 8.206 0.001 1 266 69 69 ALA HA H 4.346 0.002 1 267 69 69 ALA C C 177.697 0.001 1 268 69 69 ALA CA C 52.335 0.014 1 269 69 69 ALA N N 123.842 0.000 1 270 70 70 VAL H H 8.258 0.001 1 271 70 70 VAL HA H 4.080 0.000 1 272 70 70 VAL C C 176.382 0.008 1 273 70 70 VAL N N 120.598 0.000 1 274 71 71 VAL H H 8.438 0.001 1 275 71 71 VAL HA H 4.216 0.001 1 276 71 71 VAL C C 176.334 0.006 1 277 71 71 VAL CA C 62.116 0.000 1 278 71 71 VAL N N 125.520 0.000 1 279 72 72 THR H H 8.349 0.001 1 280 72 72 THR HA H 4.357 0.000 1 281 72 72 THR C C 174.947 0.002 1 282 72 72 THR N N 118.740 0.000 1 283 73 73 GLY H H 8.477 0.001 1 284 73 73 GLY C C 174.060 0.000 1 285 73 73 GLY CA C 45.231 0.000 1 286 73 73 GLY N N 111.431 0.000 1 287 74 74 VAL H H 8.127 0.004 1 288 74 74 VAL HA H 4.190 0.000 1 289 74 74 VAL C C 176.601 0.002 1 290 74 74 VAL CA C 62.340 0.000 1 291 74 74 VAL N N 119.590 0.000 1 292 75 75 THR H H 8.341 0.002 1 293 75 75 THR C C 174.129 0.000 1 294 75 75 THR N N 119.045 0.000 1 295 76 76 ALA H H 8.408 0.005 1 296 76 76 ALA HA H 4.343 0.002 1 297 76 76 ALA C C 177.617 0.005 1 298 76 76 ALA CA C 52.455 0.013 1 299 76 76 ALA N N 127.495 0.000 1 300 77 77 VAL H H 8.187 0.002 1 301 77 77 VAL HA H 4.055 0.000 1 302 77 77 VAL C C 176.050 0.009 1 303 77 77 VAL N N 120.172 0.000 1 304 78 78 ALA H H 8.450 0.002 1 305 78 78 ALA HA H 4.304 0.000 1 306 78 78 ALA C C 177.680 0.000 1 307 78 78 ALA CA C 52.516 0.000 1 308 78 78 ALA N N 128.239 0.000 1 309 79 79 GLN H H 8.432 0.002 1 310 79 79 GLN C C 175.990 0.000 1 311 79 79 GLN CA C 55.721 0.000 1 312 79 79 GLN N N 120.415 0.000 1 313 80 80 LYS H H 8.476 0.001 1 314 80 80 LYS CA C 56.349 0.000 1 315 80 80 LYS N N 123.365 0.000 1 316 81 81 THR H H 8.337 0.002 1 317 81 81 THR HA H 4.341 0.000 1 318 81 81 THR C C 174.477 0.006 1 319 81 81 THR N N 117.019 0.000 1 320 82 82 VAL H H 8.344 0.001 1 321 82 82 VAL HA H 4.120 0.000 1 322 82 82 VAL C C 176.197 0.006 1 323 82 82 VAL CA C 62.344 0.000 1 324 82 82 VAL N N 123.118 0.000 1 325 83 83 GLU H H 8.616 0.000 1 326 83 83 GLU C C 177.065 0.000 1 327 83 83 GLU N N 125.408 0.000 1 328 84 84 GLY H H 8.558 0.001 1 329 84 84 GLY C C 174.192 0.000 1 330 84 84 GLY CA C 45.312 0.000 1 331 84 84 GLY N N 110.800 0.000 1 332 85 85 ALA H H 8.305 0.001 1 333 85 85 ALA HA H 4.310 0.000 1 334 85 85 ALA C C 178.539 0.001 1 335 85 85 ALA CA C 52.918 0.000 1 336 85 85 ALA N N 124.027 0.000 1 337 86 86 GLY H H 8.538 0.002 1 338 86 86 GLY HA2 H 3.966 0.000 1 339 86 86 GLY HA3 H 3.966 0.000 1 340 86 86 GLY C C 174.341 0.005 1 341 86 86 GLY CA C 45.326 0.000 1 342 86 86 GLY N N 108.244 0.000 1 343 87 87 SER H H 8.192 0.002 1 344 87 87 SER HA H 4.460 0.000 1 345 87 87 SER C C 174.760 0.000 1 346 87 87 SER CA C 58.368 0.035 1 347 87 87 SER N N 115.769 0.000 1 348 88 88 ILE H H 8.235 0.002 1 349 88 88 ILE HA H 4.167 0.000 1 350 88 88 ILE C C 176.307 0.006 1 351 88 88 ILE CA C 61.317 0.047 1 352 88 88 ILE N N 122.860 0.000 1 353 89 89 ALA H H 8.391 0.002 1 354 89 89 ALA HA H 4.242 0.000 1 355 89 89 ALA C C 177.600 0.006 1 356 89 89 ALA CA C 52.628 0.000 1 357 89 89 ALA N N 128.159 0.000 1 358 90 90 ALA H H 8.253 0.001 1 359 90 90 ALA HA H 4.254 0.000 1 360 90 90 ALA C C 177.767 0.004 1 361 90 90 ALA CA C 52.472 0.000 1 362 90 90 ALA N N 123.427 0.000 1 363 91 91 ALA H H 8.332 0.000 1 364 91 91 ALA HA H 4.354 0.002 1 365 91 91 ALA C C 178.174 0.006 1 366 91 91 ALA CA C 52.635 0.032 1 367 91 91 ALA N N 123.503 0.000 1 368 92 92 THR H H 8.136 0.001 1 369 92 92 THR HA H 4.299 0.000 1 370 92 92 THR C C 175.205 0.005 1 371 92 92 THR N N 112.723 0.000 1 372 93 93 GLY H H 8.349 0.000 1 373 93 93 GLY HA2 H 3.907 0.000 1 374 93 93 GLY HA3 H 3.907 0.000 1 375 93 93 GLY C C 173.659 0.003 1 376 93 93 GLY N N 110.769 0.000 1 377 94 94 PHE H H 8.125 0.003 1 378 94 94 PHE HA H 4.611 0.006 1 379 94 94 PHE C C 175.522 0.008 1 380 94 94 PHE CA C 57.847 0.009 1 381 94 94 PHE N N 120.413 0.000 1 382 95 95 VAL H H 8.096 0.004 1 383 95 95 VAL HA H 4.008 0.002 1 384 95 95 VAL C C 175.435 0.007 1 385 95 95 VAL CA C 61.965 0.000 1 386 95 95 VAL N N 123.856 0.000 1 387 96 96 LYS H H 8.439 0.001 1 388 96 96 LYS N N 126.533 0.000 1 389 97 97 LYS H H 8.516 0.000 1 390 97 97 LYS HA H 4.285 0.000 1 391 97 97 LYS C C 176.410 0.002 1 392 97 97 LYS N N 123.924 0.000 1 393 98 98 ASP H H 8.450 0.001 1 394 98 98 ASP HA H 4.565 0.000 1 395 98 98 ASP C C 176.238 0.008 1 396 98 98 ASP CA C 54.409 0.048 1 397 98 98 ASP N N 121.302 0.000 1 398 99 99 GLN H H 8.386 0.002 1 399 99 99 GLN C C 176.069 0.000 1 400 99 99 GLN CA C 55.848 0.000 1 401 99 99 GLN N N 120.232 0.000 1 402 100 100 LEU H H 8.335 0.001 1 403 100 100 LEU HA H 4.338 0.006 1 404 100 100 LEU C C 178.031 0.007 1 405 100 100 LEU CA C 55.384 0.033 1 406 100 100 LEU N N 122.932 0.000 1 407 101 101 GLY H H 8.519 0.001 1 408 101 101 GLY C C 174.121 0.000 1 409 101 101 GLY CA C 45.344 0.000 1 410 101 101 GLY N N 109.877 0.000 1 411 102 102 LYS H H 8.255 0.002 1 412 102 102 LYS C C 176.505 0.000 1 413 102 102 LYS CA C 56.264 0.000 1 414 102 102 LYS N N 120.834 0.000 1 415 103 103 ASN H H 8.662 0.001 1 416 103 103 ASN HA H 4.691 0.000 1 417 103 103 ASN C C 175.336 0.000 1 418 103 103 ASN CA C 53.346 0.026 1 419 103 103 ASN N N 120.072 0.000 1 420 104 104 GLU H H 8.517 0.001 1 421 104 104 GLU N N 121.472 0.000 1 422 105 105 GLU C C 177.058 0.000 1 423 106 106 GLY H H 8.474 0.001 1 424 106 106 GLY HA2 H 3.927 0.000 1 425 106 106 GLY HA3 H 3.927 0.000 1 426 106 106 GLY C C 173.468 0.002 1 427 106 106 GLY CA C 45.047 0.000 1 428 106 106 GLY N N 110.095 0.000 1 429 107 107 ALA H H 8.167 0.001 1 430 107 107 ALA N N 125.006 0.000 1 431 108 108 PRO HA H 4.428 0.007 1 432 108 108 PRO C C 177.089 0.007 1 433 108 108 PRO CA C 63.067 0.055 1 434 109 109 GLN H H 8.631 0.001 1 435 109 109 GLN C C 176.026 0.000 1 436 109 109 GLN CA C 55.723 0.000 1 437 109 109 GLN N N 121.272 0.000 1 438 110 110 GLU H H 8.565 0.001 1 439 110 110 GLU N N 122.597 0.000 1 440 111 111 GLY H H 8.472 0.000 1 441 111 111 GLY C C 173.816 0.000 1 442 111 111 GLY CA C 45.295 0.000 1 443 111 111 GLY N N 110.088 0.000 1 444 112 112 ILE H H 8.034 0.003 1 445 112 112 ILE HA H 4.169 0.003 1 446 112 112 ILE C C 176.303 0.003 1 447 112 112 ILE CA C 60.934 0.037 1 448 112 112 ILE N N 120.226 0.000 1 449 113 113 LEU H H 8.450 0.001 1 450 113 113 LEU HA H 4.388 0.001 1 451 113 113 LEU C C 177.196 0.012 1 452 113 113 LEU CA C 55.055 0.005 1 453 113 113 LEU N N 127.083 0.000 1 454 114 114 GLU H H 8.460 0.001 1 455 114 114 GLU HA H 4.255 0.000 1 456 114 114 GLU C C 175.909 0.002 1 457 114 114 GLU CA C 56.416 0.000 1 458 115 115 ASP H H 8.401 0.002 1 459 115 115 ASP HA H 4.574 0.000 1 460 115 115 ASP C C 175.805 0.016 1 461 115 115 ASP CA C 54.242 0.011 1 462 115 115 ASP N N 121.460 0.000 1 463 116 116 MET H H 8.299 0.005 1 464 116 116 MET N N 122.082 0.000 1 465 117 117 PRO HA H 4.454 0.003 1 466 117 117 PRO C C 176.752 0.000 1 467 117 117 PRO CA C 62.922 0.034 1 468 118 118 VAL H H 8.345 0.001 1 469 118 118 VAL HA H 4.063 0.000 1 470 118 118 VAL C C 175.810 0.017 1 471 118 118 VAL N N 120.948 0.000 1 472 119 119 ASP H H 8.564 0.002 1 473 119 119 ASP N N 126.026 0.000 1 474 120 120 PRO HA H 4.332 0.005 1 475 120 120 PRO C C 176.947 0.022 1 476 120 120 PRO CA C 63.502 0.046 1 477 121 121 ASP H H 8.423 0.002 1 478 121 121 ASP HA H 4.603 0.001 1 479 121 121 ASP C C 176.157 0.014 1 480 121 121 ASP CA C 54.517 0.022 1 481 121 121 ASP N N 119.315 0.000 1 482 122 122 ASN H H 8.157 0.004 1 483 122 122 ASN HA H 4.683 0.000 1 484 122 122 ASN C C 175.425 0.000 1 485 122 122 ASN CA C 53.456 0.051 1 486 122 122 ASN N N 119.178 0.000 1 487 123 123 GLU H H 8.416 0.002 1 488 123 123 GLU HA H 4.209 0.000 1 489 123 123 GLU C C 176.102 0.003 1 490 123 123 GLU N N 121.787 0.000 1 491 124 124 ALA H H 8.271 0.001 1 492 124 124 ALA HA H 4.285 0.000 1 493 124 124 ALA C C 177.233 0.032 1 494 124 124 ALA CA C 52.401 0.000 1 495 124 124 ALA N N 124.481 0.000 1 496 125 125 TYR H H 8.067 0.002 1 497 125 125 TYR HA H 4.511 0.005 1 498 125 125 TYR C C 175.389 0.003 1 499 125 125 TYR CA C 57.782 0.031 1 500 125 125 TYR N N 120.020 0.000 1 501 126 126 GLU H H 8.163 0.002 1 502 126 126 GLU HA H 4.249 0.005 1 503 126 126 GLU C C 175.454 0.007 1 504 126 126 GLU CA C 55.600 0.027 1 505 126 126 GLU N N 123.828 0.000 1 506 127 127 MET H H 8.460 0.002 1 507 127 127 MET N N 123.903 0.000 1 508 128 128 PRO HA H 4.425 0.009 1 509 128 128 PRO C C 176.927 0.005 1 510 128 128 PRO CA C 63.056 0.044 1 511 129 129 SER H H 8.526 0.002 1 512 129 129 SER HA H 4.412 0.005 1 513 129 129 SER C C 174.845 0.004 1 514 129 129 SER CA C 58.293 0.016 1 515 129 129 SER N N 116.809 0.000 1 516 130 130 GLU H H 8.611 0.001 1 517 130 130 GLU C C 176.414 0.000 1 518 130 130 GLU N N 123.219 0.000 1 519 131 131 GLU H H 8.466 0.001 1 520 131 131 GLU C C 176.990 0.000 1 521 131 131 GLU N N 121.835 0.000 1 522 132 132 GLY H H 8.448 0.001 1 523 132 132 GLY C C 173.887 0.000 1 524 132 132 GLY CA C 45.214 0.000 1 525 132 132 GLY N N 110.042 0.000 1 526 133 133 TYR H H 8.104 0.003 1 527 133 133 TYR HA H 4.504 0.000 1 528 133 133 TYR C C 175.793 0.005 1 529 133 133 TYR CA C 58.142 0.033 1 530 133 133 TYR N N 120.390 0.000 1 531 134 134 GLN H H 8.265 0.002 1 532 134 134 GLN HA H 4.245 0.005 1 533 134 134 GLN C C 174.907 0.001 1 534 134 134 GLN CA C 55.434 0.017 1 535 134 134 GLN N N 122.817 0.000 1 536 135 135 ASP H H 8.280 0.000 1 537 135 135 ASP HA H 4.531 0.000 1 538 135 135 ASP C C 175.513 0.001 1 539 135 135 ASP CA C 54.180 0.028 1 540 135 135 ASP N N 121.713 0.000 1 541 136 136 TYR H H 8.089 0.001 1 542 136 136 TYR HA H 4.552 0.001 1 543 136 136 TYR C C 175.101 0.014 1 544 136 136 TYR CA C 57.593 0.039 1 545 136 136 TYR N N 120.680 0.000 1 546 137 137 GLU H H 8.279 0.000 1 547 137 137 GLU N N 125.426 0.000 1 548 138 138 PRO HA H 4.341 0.003 1 549 138 138 PRO C C 176.914 0.011 1 550 138 138 PRO CA C 62.904 0.043 1 551 139 139 GLU H H 8.558 0.002 1 552 139 139 GLU HA H 4.219 0.000 1 553 139 139 GLU C C 175.419 0.002 1 554 139 139 GLU CA C 56.558 0.000 1 555 139 139 GLU N N 121.643 0.000 1 556 140 140 ALA H H 8.042 0.002 1 557 140 140 ALA HA H 4.099 0.003 1 558 140 140 ALA C C 182.579 0.000 1 559 140 140 ALA CA C 53.779 0.000 1 560 140 140 ALA N N 130.976 0.000 1 stop_ save_ save_assigned_chem_shift_list_31 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $temp_20 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.113 0.003 1 2 1 1 MET C C 172.065 0.000 1 3 1 1 MET CA C 55.050 0.000 1 4 2 2 ASP HA H 4.711 0.000 1 5 2 2 ASP C C 175.802 0.000 1 6 2 2 ASP CA C 54.212 0.042 1 7 3 3 VAL H H 8.270 0.004 1 8 3 3 VAL HA H 4.025 0.004 1 9 3 3 VAL C C 175.897 0.001 1 10 3 3 VAL CA C 62.517 0.025 1 11 3 3 VAL N N 120.444 0.000 1 12 4 4 PHE H H 8.361 0.000 1 13 4 4 PHE HA H 4.608 0.000 1 14 4 4 PHE C C 175.839 0.000 1 15 4 4 PHE CA C 57.926 0.036 1 16 4 4 PHE N N 123.582 0.000 1 17 5 5 MET H H 8.234 0.003 1 18 5 5 MET HA H 4.389 0.002 1 19 5 5 MET C C 175.937 0.002 1 20 5 5 MET CA C 55.373 0.020 1 21 5 5 MET N N 122.390 0.000 1 22 6 6 LYS H H 8.278 0.001 1 23 6 6 LYS HA H 4.211 0.000 1 24 6 6 LYS C C 177.143 0.016 1 25 6 6 LYS N N 122.649 0.000 1 26 7 7 GLY H H 8.423 0.000 1 27 7 7 GLY C C 174.204 0.000 1 28 7 7 GLY CA C 45.382 0.000 1 29 7 7 GLY N N 109.911 0.000 1 30 8 8 LEU H H 8.072 0.002 1 31 8 8 LEU HA H 4.371 0.018 1 32 8 8 LEU C C 177.655 0.007 1 33 8 8 LEU CA C 55.181 0.025 1 34 8 8 LEU N N 121.600 0.000 1 35 9 9 SER H H 8.333 0.002 1 36 9 9 SER HA H 4.419 0.003 1 37 9 9 SER C C 174.594 0.006 1 38 9 9 SER CA C 58.362 0.047 1 39 9 9 SER N N 116.720 0.000 1 40 10 10 LYS H H 8.370 0.001 1 41 10 10 LYS CA C 56.334 0.000 1 42 10 10 LYS N N 123.585 0.000 1 43 11 11 ALA H H 8.297 0.000 1 44 11 11 ALA HA H 4.259 0.000 1 45 11 11 ALA C C 177.919 0.005 1 46 12 12 LYS H H 8.341 0.002 1 47 12 12 LYS N N 120.840 0.000 1 48 13 13 GLU C C 177.044 0.000 1 49 14 14 GLY H H 8.473 0.005 1 50 14 14 GLY C C 174.066 0.000 1 51 14 14 GLY CA C 45.378 0.000 1 52 14 14 GLY N N 110.083 0.000 1 53 15 15 VAL H H 7.984 0.002 1 54 15 15 VAL HA H 4.099 0.000 1 55 15 15 VAL C C 176.464 0.005 1 56 15 15 VAL CA C 62.619 0.000 1 57 15 15 VAL N N 120.075 0.000 1 58 16 16 VAL H H 8.292 0.003 1 59 16 16 VAL C C 176.000 0.000 1 60 16 16 VAL N N 125.104 0.000 1 61 17 17 ALA H H 8.447 0.002 1 62 17 17 ALA HA H 4.261 0.000 1 63 17 17 ALA C C 177.688 0.030 1 64 17 17 ALA CA C 52.535 0.000 1 65 17 17 ALA N N 128.454 0.000 1 66 18 18 ALA H H 8.314 0.003 1 67 18 18 ALA HA H 4.244 0.000 1 68 18 18 ALA C C 177.913 0.003 1 69 18 18 ALA CA C 52.768 0.000 1 70 18 18 ALA N N 123.709 0.000 1 71 19 19 ALA H H 8.284 0.002 1 72 19 19 ALA HA H 4.272 0.000 1 73 19 19 ALA C C 178.198 0.007 1 74 19 19 ALA N N 123.106 0.000 1 75 20 20 GLU H H 8.344 0.004 1 76 20 20 GLU C C 176.951 0.000 1 77 20 20 GLU CA C 56.812 0.000 1 78 20 20 GLU N N 120.087 0.000 1 79 21 21 LYS H H 8.343 0.001 1 80 21 21 LYS HA H 4.323 0.000 1 81 21 21 LYS C C 177.159 0.007 1 82 21 21 LYS CA C 56.769 0.000 1 83 21 21 LYS N N 122.237 0.000 1 84 22 22 THR H H 8.135 0.002 1 85 22 22 THR C C 174.719 0.000 1 86 22 22 THR N N 115.130 0.000 1 87 23 23 LYS H H 8.354 0.003 1 88 23 23 LYS N N 123.771 0.000 1 89 24 24 GLN C C 176.601 0.000 1 90 25 25 GLY H H 8.497 0.000 1 91 25 25 GLY C C 174.267 0.000 1 92 25 25 GLY CA C 45.401 0.000 1 93 25 25 GLY N N 110.604 0.000 1 94 26 26 VAL H H 8.020 0.001 1 95 26 26 VAL C C 176.442 0.000 1 96 26 26 VAL CA C 62.573 0.000 1 97 26 26 VAL N N 119.680 0.000 1 98 27 27 ALA H H 8.434 0.006 1 99 27 27 ALA HA H 4.292 0.000 1 100 27 27 ALA C C 178.107 0.003 1 101 27 27 ALA CA C 52.832 0.000 1 102 27 27 ALA N N 127.428 0.000 1 103 28 28 GLU H H 8.407 0.002 1 104 28 28 GLU C C 176.649 0.000 1 105 28 28 GLU CA C 56.865 0.000 1 106 28 28 GLU N N 120.576 0.000 1 107 29 29 ALA H H 8.312 0.003 1 108 29 29 ALA HA H 4.268 0.000 1 109 29 29 ALA C C 177.767 0.024 1 110 29 29 ALA CA C 52.729 0.000 1 111 29 29 ALA N N 124.971 0.000 1 112 30 30 ALA H H 8.249 0.002 1 113 30 30 ALA HA H 4.285 0.000 1 114 30 30 ALA C C 178.483 0.000 1 115 30 30 ALA N N 123.068 0.000 1 116 31 31 GLY H H 8.332 0.002 1 117 31 31 GLY C C 174.257 0.000 1 118 31 31 GLY CA C 45.424 0.000 1 119 31 31 GLY N N 107.800 0.000 1 120 32 32 LYS H H 8.130 0.000 1 121 32 32 LYS HA H 4.411 0.006 1 122 32 32 LYS C C 177.035 0.010 1 123 32 32 LYS CA C 56.242 0.000 1 124 32 32 LYS N N 120.708 0.000 1 125 33 33 THR H H 8.232 0.003 1 126 33 33 THR HA H 4.342 0.000 1 127 33 33 THR C C 174.696 0.000 1 128 33 33 THR N N 115.517 0.000 1 129 34 34 LYS H H 8.476 0.001 1 130 34 34 LYS N N 123.791 0.000 1 131 35 35 GLU C C 176.977 0.000 1 132 36 36 GLY H H 8.443 0.001 1 133 36 36 GLY C C 174.061 0.000 1 134 36 36 GLY CA C 45.391 0.000 1 135 36 36 GLY N N 110.202 0.000 1 136 37 37 VAL H H 7.916 0.001 1 137 37 37 VAL HA H 4.064 0.000 1 138 37 37 VAL C C 175.962 0.027 1 139 37 37 VAL N N 119.499 0.000 1 140 38 38 LEU H H 8.286 0.001 1 141 38 38 LEU HA H 4.340 0.000 1 142 38 38 LEU CA C 54.999 0.029 1 143 38 38 LEU N N 125.743 0.000 1 144 39 39 TYR H H 8.271 0.003 1 145 39 39 TYR HA H 4.591 0.003 1 146 39 39 TYR C C 175.615 0.004 1 147 39 39 TYR CA C 57.852 0.027 1 148 39 39 TYR N N 122.344 0.000 1 149 40 40 VAL H H 8.089 0.002 1 150 40 40 VAL HA H 4.061 0.000 1 151 40 40 VAL C C 176.211 0.000 1 152 40 40 VAL CA C 62.269 0.000 1 153 40 40 VAL N N 123.168 0.000 1 154 41 41 GLY H H 8.077 0.002 1 155 41 41 GLY C C 174.014 0.000 1 156 41 41 GLY CA C 45.312 0.000 1 157 41 41 GLY N N 112.124 0.000 1 158 42 42 SER H H 8.257 0.004 1 159 42 42 SER HA H 4.441 0.003 1 160 42 42 SER C C 174.825 0.016 1 161 42 42 SER CA C 58.369 0.046 1 162 42 42 SER N N 115.574 0.000 1 163 43 43 LYS H H 8.488 0.001 1 164 43 43 LYS HA H 4.418 0.004 1 165 43 43 LYS C C 176.902 0.004 1 166 43 43 LYS CA C 56.440 0.033 1 167 43 43 LYS N N 123.449 0.000 1 168 44 44 THR H H 8.178 0.003 1 169 44 44 THR C C 174.621 0.000 1 170 44 44 THR N N 115.398 0.000 1 171 45 45 LYS H H 8.425 0.001 1 172 45 45 LYS N N 123.777 0.000 1 173 46 46 GLU C C 176.975 0.000 1 174 47 47 GLY H H 8.443 0.001 1 175 47 47 GLY C C 173.928 0.000 1 176 47 47 GLY CA C 45.318 0.000 1 177 47 47 GLY N N 110.202 0.000 1 178 48 48 VAL H H 7.927 0.002 1 179 48 48 VAL HA H 4.088 0.000 1 180 48 48 VAL C C 176.108 0.004 1 181 48 48 VAL N N 119.765 0.000 1 182 49 49 VAL H H 8.291 0.003 1 183 49 49 VAL HA H 4.064 0.000 1 184 49 49 VAL C C 175.937 0.002 1 185 49 49 VAL CA C 62.259 0.000 1 186 49 49 VAL N N 124.789 0.000 1 187 50 50 HIS H H 8.659 0.002 1 188 50 50 HIS HA H 4.718 0.000 1 189 50 50 HIS C C 174.990 0.000 1 190 50 50 HIS CA C 55.389 0.040 1 191 50 50 HIS N N 123.539 0.000 1 192 51 51 GLY H H 8.477 0.004 1 193 51 51 GLY C C 173.780 0.000 1 194 52 52 VAL H H 8.095 0.001 1 195 52 52 VAL HA H 4.149 0.003 1 196 52 52 VAL C C 175.947 0.001 1 197 52 52 VAL CA C 61.974 0.000 1 198 52 52 VAL N N 119.509 0.000 1 199 53 53 ALA H H 8.501 0.002 1 200 53 53 ALA HA H 4.409 0.002 1 201 53 53 ALA C C 177.839 0.001 1 202 53 53 ALA CA C 52.416 0.001 1 203 53 53 ALA N N 128.173 0.000 1 204 54 54 THR H H 8.225 0.002 1 205 54 54 THR C C 174.579 0.000 1 206 54 54 THR CA C 61.820 0.000 1 207 54 54 THR N N 114.781 0.000 1 208 55 55 VAL H H 8.239 0.002 1 209 55 55 VAL HA H 4.092 0.000 1 210 55 55 VAL C C 175.882 0.000 1 211 55 55 VAL N N 122.932 0.000 1 212 56 56 ALA H H 8.422 0.001 1 213 56 56 ALA HA H 4.289 0.000 1 214 56 56 ALA C C 177.786 0.005 1 215 56 56 ALA N N 128.057 0.000 1 216 57 57 GLU H H 8.377 0.001 1 217 57 57 GLU N N 120.865 0.000 1 218 58 58 LYS H H 8.435 0.000 1 219 58 58 LYS HA H 4.364 0.000 1 220 58 58 LYS C C 177.007 0.010 1 221 58 58 LYS N N 122.730 0.000 1 222 59 59 THR H H 8.212 0.001 1 223 59 59 THR C C 174.680 0.000 1 224 59 59 THR N N 115.827 0.000 1 225 60 60 LYS H H 8.386 0.000 1 226 60 60 LYS N N 123.625 0.000 1 227 62 62 GLN C C 175.989 0.000 1 228 62 62 GLN CA C 55.855 0.000 1 229 63 63 VAL H H 8.288 0.002 1 230 63 63 VAL HA H 4.191 0.001 1 231 63 63 VAL C C 176.377 0.019 1 232 63 63 VAL CA C 62.347 0.000 1 233 63 63 VAL N N 121.862 0.000 1 234 64 64 THR H H 8.304 0.002 1 235 64 64 THR HA H 4.366 0.000 1 236 64 64 THR C C 174.090 0.003 1 237 64 64 THR N N 117.997 0.000 1 238 65 65 ASN H H 8.524 0.001 1 239 65 65 ASN HA H 4.777 0.000 1 240 65 65 ASN C C 175.255 0.000 1 241 65 65 ASN CA C 53.151 0.004 1 242 65 65 ASN N N 121.832 0.000 1 243 66 66 VAL H H 8.240 0.001 1 244 66 66 VAL HA H 4.119 0.000 1 245 66 66 VAL C C 176.886 0.024 1 246 66 66 VAL CA C 62.656 0.034 1 247 66 66 VAL N N 120.674 0.000 1 248 67 67 GLY H H 8.559 0.002 1 249 67 67 GLY HA2 H 3.967 0.000 1 250 67 67 GLY HA3 H 3.967 0.000 1 251 67 67 GLY C C 174.694 0.000 1 252 67 67 GLY CA C 45.352 0.000 1 253 67 67 GLY N N 112.598 0.000 1 254 68 68 GLY H H 8.237 0.014 1 255 68 68 GLY C C 173.775 0.000 1 256 68 68 GLY CA C 45.111 0.000 1 257 68 68 GLY N N 108.853 0.000 1 258 69 69 ALA H H 8.174 0.001 1 259 69 69 ALA HA H 4.358 0.009 1 260 69 69 ALA C C 177.662 0.007 1 261 69 69 ALA CA C 52.351 0.002 1 262 69 69 ALA N N 123.798 0.000 1 263 70 70 VAL H H 8.213 0.002 1 264 70 70 VAL HA H 4.086 0.000 1 265 70 70 VAL C C 176.347 0.002 1 266 70 70 VAL N N 120.418 0.000 1 267 71 71 VAL H H 8.388 0.004 1 268 71 71 VAL HA H 4.207 0.014 1 269 71 71 VAL C C 176.328 0.024 1 270 71 71 VAL CA C 62.129 0.000 1 271 71 71 VAL N N 125.254 0.000 1 272 72 72 THR H H 8.307 0.002 1 273 72 72 THR HA H 4.362 0.000 1 274 72 72 THR C C 174.941 0.002 1 275 72 72 THR N N 118.512 0.000 1 276 73 73 GLY H H 8.443 0.001 1 277 73 73 GLY C C 174.070 0.000 1 278 73 73 GLY CA C 45.244 0.000 1 279 73 73 GLY N N 111.328 0.000 1 280 74 74 VAL H H 8.091 0.004 1 281 74 74 VAL HA H 4.190 0.002 1 282 74 74 VAL C C 176.572 0.003 1 283 74 74 VAL CA C 62.347 0.000 1 284 74 74 VAL N N 119.509 0.000 1 285 75 75 THR H H 8.297 0.002 1 286 75 75 THR HA H 4.317 0.000 1 287 75 75 THR C C 174.115 0.006 1 288 75 75 THR N N 118.773 0.000 1 289 76 76 ALA H H 8.367 0.001 1 290 76 76 ALA HA H 4.346 0.001 1 291 76 76 ALA C C 177.589 0.001 1 292 76 76 ALA CA C 52.484 0.010 1 293 76 76 ALA N N 127.343 0.000 1 294 77 77 VAL H H 8.135 0.001 1 295 77 77 VAL HA H 4.056 0.000 1 296 77 77 VAL C C 176.026 0.008 1 297 77 77 VAL N N 119.948 0.000 1 298 78 78 ALA H H 8.403 0.001 1 299 78 78 ALA HA H 4.290 0.000 1 300 78 78 ALA C C 177.646 0.004 1 301 78 78 ALA N N 128.080 0.000 1 302 79 79 GLN H H 8.384 0.001 1 303 79 79 GLN C C 175.969 0.000 1 304 79 79 GLN CA C 55.745 0.000 1 305 79 79 GLN N N 120.271 0.000 1 306 80 80 LYS H H 8.433 0.003 1 307 80 80 LYS CA C 56.334 0.000 1 308 80 80 LYS N N 123.190 0.000 1 309 81 81 THR H H 8.295 0.002 1 310 81 81 THR HA H 4.353 0.000 1 311 81 81 THR C C 174.474 0.004 1 312 81 81 THR N N 116.811 0.000 1 313 82 82 VAL H H 8.300 0.002 1 314 82 82 VAL HA H 4.114 0.000 1 315 82 82 VAL C C 176.173 0.006 1 316 82 82 VAL CA C 62.325 0.000 1 317 82 82 VAL N N 122.905 0.000 1 318 83 83 GLU H H 8.577 0.002 1 319 83 83 GLU C C 177.050 0.000 1 320 83 83 GLU N N 125.246 0.000 1 321 84 84 GLY H H 8.519 0.003 1 322 84 84 GLY C C 174.178 0.000 1 323 84 84 GLY CA C 45.361 0.000 1 324 84 84 GLY N N 110.674 0.000 1 325 85 85 ALA H H 8.269 0.003 1 326 85 85 ALA HA H 4.307 0.000 1 327 85 85 ALA C C 178.496 0.004 1 328 85 85 ALA CA C 52.908 0.000 1 329 85 85 ALA N N 123.989 0.000 1 330 86 86 GLY H H 8.501 0.002 1 331 86 86 GLY HA2 H 3.966 0.000 1 332 86 86 GLY HA3 H 3.966 0.000 1 333 86 86 GLY C C 174.343 0.004 1 334 86 86 GLY CA C 45.371 0.000 1 335 86 86 GLY N N 108.185 0.000 1 336 87 87 SER H H 8.165 0.003 1 337 87 87 SER HA H 4.463 0.002 1 338 87 87 SER C C 174.757 0.001 1 339 87 87 SER CA C 58.370 0.027 1 340 87 87 SER N N 115.696 0.000 1 341 88 88 ILE H H 8.198 0.001 1 342 88 88 ILE HA H 4.168 0.001 1 343 88 88 ILE C C 176.278 0.003 1 344 88 88 ILE CA C 61.325 0.034 1 345 88 88 ILE N N 122.727 0.000 1 346 89 89 ALA H H 8.351 0.001 1 347 89 89 ALA HA H 4.249 0.000 1 348 89 89 ALA C C 177.578 0.001 1 349 89 89 ALA CA C 52.614 0.000 1 350 89 89 ALA N N 128.004 0.000 1 351 90 90 ALA H H 8.208 0.002 1 352 90 90 ALA HA H 4.254 0.000 1 353 90 90 ALA C C 177.754 0.011 1 354 90 90 ALA CA C 52.484 0.000 1 355 90 90 ALA N N 123.329 0.000 1 356 91 91 ALA H H 8.293 0.001 1 357 91 91 ALA HA H 4.356 0.000 1 358 91 91 ALA C C 178.153 0.004 1 359 91 91 ALA CA C 52.630 0.027 1 360 91 91 ALA N N 123.377 0.000 1 361 92 92 THR H H 8.094 0.001 1 362 92 92 THR HA H 4.303 0.000 1 363 92 92 THR C C 175.173 0.009 1 364 92 92 THR N N 112.564 0.000 1 365 93 93 GLY H H 8.316 0.002 1 366 93 93 GLY HA2 H 3.908 0.000 1 367 93 93 GLY HA3 H 3.908 0.000 1 368 93 93 GLY C C 173.665 0.002 1 369 93 93 GLY N N 110.681 0.000 1 370 94 94 PHE H H 8.095 0.002 1 371 94 94 PHE HA H 4.614 0.001 1 372 94 94 PHE C C 175.502 0.003 1 373 94 94 PHE CA C 57.808 0.009 1 374 94 94 PHE N N 120.312 0.000 1 375 95 95 VAL H H 8.065 0.006 1 376 95 95 VAL HA H 4.016 0.001 1 377 95 95 VAL C C 175.459 0.006 1 378 95 95 VAL CA C 61.982 0.000 1 379 95 95 VAL N N 123.593 0.000 1 380 96 96 LYS H H 8.405 0.000 1 381 96 96 LYS N N 126.371 0.000 1 382 97 97 LYS H H 8.477 0.000 1 383 97 97 LYS C C 176.392 0.000 1 384 97 97 LYS N N 123.791 0.000 1 385 98 98 ASP H H 8.418 0.001 1 386 98 98 ASP HA H 4.566 0.002 1 387 98 98 ASP C C 176.236 0.000 1 388 98 98 ASP CA C 54.448 0.025 1 389 98 98 ASP N N 121.201 0.000 1 390 99 99 GLN H H 8.349 0.001 1 391 99 99 GLN C C 176.044 0.000 1 392 99 99 GLN CA C 55.855 0.000 1 393 99 99 GLN N N 120.132 0.000 1 394 100 100 LEU H H 8.295 0.004 1 395 100 100 LEU HA H 4.331 0.004 1 396 100 100 LEU C C 178.015 0.005 1 397 100 100 LEU CA C 55.401 0.029 1 398 100 100 LEU N N 122.905 0.000 1 399 101 101 GLY H H 8.485 0.003 1 400 101 101 GLY C C 174.122 0.000 1 401 101 101 GLY N N 109.810 0.000 1 402 102 102 LYS H H 8.216 0.002 1 403 102 102 LYS C C 176.476 0.000 1 404 102 102 LYS CA C 56.238 0.000 1 405 102 102 LYS N N 120.787 0.000 1 406 103 103 ASN H H 8.626 0.001 1 407 103 103 ASN HA H 4.694 0.000 1 408 103 103 ASN C C 175.312 0.000 1 409 103 103 ASN CA C 53.367 0.014 1 410 103 103 ASN N N 120.024 0.000 1 411 104 104 GLU H H 8.488 0.002 1 412 104 104 GLU N N 121.416 0.000 1 413 105 105 GLU C C 177.044 0.000 1 414 106 106 GLY H H 8.442 0.006 1 415 106 106 GLY HA2 H 3.926 0.000 1 416 106 106 GLY HA3 H 3.926 0.000 1 417 106 106 GLY C C 173.464 0.000 1 418 106 106 GLY CA C 45.076 0.000 1 419 106 106 GLY N N 110.003 0.000 1 420 107 107 ALA H H 8.136 0.001 1 421 107 107 ALA N N 124.957 0.000 1 422 108 108 PRO HA H 4.429 0.006 1 423 108 108 PRO C C 177.089 0.004 1 424 108 108 PRO CA C 63.078 0.036 1 425 109 109 GLN H H 8.590 0.002 1 426 109 109 GLN C C 176.009 0.000 1 427 109 109 GLN CA C 55.755 0.000 1 428 109 109 GLN N N 121.153 0.000 1 429 110 110 GLU H H 8.524 0.003 1 430 110 110 GLU N N 122.453 0.000 1 431 111 111 GLY H H 8.446 0.000 1 432 111 111 GLY C C 173.818 0.000 1 433 111 111 GLY CA C 45.315 0.000 1 434 111 111 GLY N N 110.002 0.000 1 435 112 112 ILE H H 7.996 0.001 1 436 112 112 ILE HA H 4.171 0.003 1 437 112 112 ILE C C 176.269 0.006 1 438 112 112 ILE CA C 60.928 0.031 1 439 112 112 ILE N N 120.095 0.000 1 440 113 113 LEU H H 8.407 0.002 1 441 113 113 LEU HA H 4.385 0.003 1 442 113 113 LEU C C 177.159 0.000 1 443 113 113 LEU CA C 54.996 0.041 1 444 113 113 LEU N N 126.943 0.000 1 445 114 114 GLU H H 8.424 0.000 1 446 114 114 GLU C C 175.896 0.000 1 447 114 114 GLU CA C 56.452 0.000 1 448 115 115 ASP H H 8.365 0.004 1 449 115 115 ASP HA H 4.572 0.000 1 450 115 115 ASP C C 175.808 0.000 1 451 115 115 ASP CA C 54.243 0.011 1 452 115 115 ASP N N 121.373 0.000 1 453 116 116 MET H H 8.261 0.002 1 454 116 116 MET N N 121.978 0.000 1 455 117 117 PRO HA H 4.456 0.001 1 456 117 117 PRO C C 176.733 0.000 1 457 117 117 PRO CA C 62.907 0.031 1 458 118 118 VAL H H 8.293 0.000 1 459 118 118 VAL HA H 4.065 0.000 1 460 118 118 VAL C C 175.766 0.003 1 461 118 118 VAL N N 120.759 0.000 1 462 119 119 ASP H H 8.515 0.004 1 463 119 119 ASP N N 125.855 0.000 1 464 120 120 PRO HA H 4.330 0.003 1 465 120 120 PRO C C 176.954 0.009 1 466 120 120 PRO CA C 63.504 0.028 1 467 121 121 ASP H H 8.396 0.003 1 468 121 121 ASP HA H 4.601 0.000 1 469 121 121 ASP C C 176.170 0.000 1 470 121 121 ASP CA C 54.516 0.016 1 471 121 121 ASP N N 119.302 0.000 1 472 122 122 ASN H H 8.136 0.001 1 473 122 122 ASN HA H 4.685 0.000 1 474 122 122 ASN C C 175.407 0.000 1 475 122 122 ASN CA C 53.478 0.009 1 476 122 122 ASN N N 119.125 0.000 1 477 123 123 GLU H H 8.384 0.001 1 478 123 123 GLU HA H 4.214 0.000 1 479 123 123 GLU C C 176.089 0.002 1 480 123 123 GLU N N 121.692 0.000 1 481 124 124 ALA H H 8.235 0.003 1 482 124 124 ALA HA H 4.282 0.000 1 483 124 124 ALA C C 177.242 0.001 1 484 124 124 ALA CA C 52.381 0.000 1 485 124 124 ALA N N 124.398 0.000 1 486 125 125 TYR H H 8.029 0.001 1 487 125 125 TYR HA H 4.517 0.009 1 488 125 125 TYR C C 175.395 0.003 1 489 125 125 TYR CA C 57.735 0.038 1 490 125 125 TYR N N 119.868 0.000 1 491 126 126 GLU H H 8.143 0.002 1 492 126 126 GLU HA H 4.253 0.004 1 493 126 126 GLU C C 175.483 0.009 1 494 126 126 GLU CA C 55.657 0.031 1 495 126 126 GLU N N 123.620 0.000 1 496 127 127 MET H H 8.417 0.002 1 497 127 127 MET N N 123.764 0.000 1 498 128 128 PRO HA H 4.432 0.003 1 499 128 128 PRO C C 176.926 0.003 1 500 128 128 PRO CA C 63.063 0.022 1 501 129 129 SER H H 8.483 0.003 1 502 129 129 SER HA H 4.417 0.005 1 503 129 129 SER C C 174.838 0.003 1 504 129 129 SER CA C 58.306 0.001 1 505 129 129 SER N N 116.698 0.000 1 506 130 130 GLU H H 8.575 0.001 1 507 130 130 GLU C C 176.353 0.000 1 508 130 130 GLU N N 123.138 0.000 1 509 131 131 GLU H H 8.434 0.002 1 510 131 131 GLU C C 176.970 0.000 1 511 131 131 GLU N N 121.714 0.000 1 512 132 132 GLY H H 8.413 0.001 1 513 132 132 GLY C C 173.881 0.000 1 514 132 132 GLY CA C 45.234 0.000 1 515 132 132 GLY N N 109.896 0.000 1 516 133 133 TYR H H 8.070 0.001 1 517 133 133 TYR HA H 4.508 0.004 1 518 133 133 TYR C C 175.769 0.002 1 519 133 133 TYR CA C 58.103 0.027 1 520 133 133 TYR N N 120.320 0.000 1 521 134 134 GLN H H 8.241 0.001 1 522 134 134 GLN HA H 4.251 0.003 1 523 134 134 GLN C C 174.928 0.006 1 524 134 134 GLN CA C 55.465 0.013 1 525 134 134 GLN N N 122.677 0.000 1 526 135 135 ASP H H 8.251 0.002 1 527 135 135 ASP HA H 4.532 0.004 1 528 135 135 ASP C C 175.500 0.002 1 529 135 135 ASP CA C 54.184 0.022 1 530 135 135 ASP N N 121.656 0.000 1 531 136 136 TYR H H 8.056 0.002 1 532 136 136 TYR HA H 4.552 0.003 1 533 136 136 TYR C C 175.090 0.001 1 534 136 136 TYR CA C 57.587 0.030 1 535 136 136 TYR N N 120.598 0.000 1 536 137 137 GLU H H 8.246 0.002 1 537 137 137 GLU N N 125.317 0.000 1 538 138 138 PRO HA H 4.343 0.001 1 539 138 138 PRO C C 176.902 0.007 1 540 138 138 PRO CA C 62.918 0.028 1 541 139 139 GLU H H 8.522 0.002 1 542 139 139 GLU HA H 4.224 0.000 1 543 139 139 GLU C C 175.400 0.006 1 544 139 139 GLU CA C 56.563 0.000 1 545 139 139 GLU N N 121.553 0.000 1 546 140 140 ALA H H 7.997 0.002 1 547 140 140 ALA HA H 4.105 0.003 1 548 140 140 ALA C C 182.534 0.000 1 549 140 140 ALA CA C 53.771 0.000 1 550 140 140 ALA N N 130.886 0.000 1 stop_ save_ save_assigned_chem_shift_list_32 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $temp_25 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.106 0.003 1 2 1 1 MET C C 172.139 0.000 1 3 1 1 MET CA C 55.100 0.000 1 4 2 2 ASP C C 175.810 0.000 1 5 2 2 ASP CA C 54.270 0.000 1 6 3 3 VAL H H 8.229 0.006 1 7 3 3 VAL HA H 4.027 0.001 1 8 3 3 VAL C C 175.881 0.002 1 9 3 3 VAL CA C 62.531 0.028 1 10 3 3 VAL N N 120.303 0.000 1 11 4 4 PHE H H 8.326 0.001 1 12 4 4 PHE HA H 4.613 0.000 1 13 4 4 PHE C C 175.839 0.000 1 14 4 4 PHE CA C 57.892 0.088 1 15 4 4 PHE N N 123.430 0.000 1 16 5 5 MET H H 8.202 0.000 1 17 5 5 MET HA H 4.390 0.004 1 18 5 5 MET C C 175.916 0.019 1 19 5 5 MET CA C 55.417 0.078 1 20 5 5 MET N N 122.204 0.000 1 21 6 6 LYS H H 8.240 0.003 1 22 6 6 LYS HA H 4.219 0.000 1 23 6 6 LYS C C 177.130 0.006 1 24 6 6 LYS N N 122.503 0.000 1 25 7 7 GLY H H 8.390 0.000 1 26 7 7 GLY C C 174.200 0.000 1 27 7 7 GLY CA C 45.374 0.000 1 28 7 7 GLY N N 109.798 0.000 1 29 8 8 LEU H H 8.041 0.003 1 30 8 8 LEU HA H 4.381 0.008 1 31 8 8 LEU C C 177.613 0.007 1 32 8 8 LEU CA C 55.179 0.068 1 33 8 8 LEU N N 121.548 0.000 1 34 9 9 SER H H 8.298 0.002 1 35 9 9 SER HA H 4.421 0.002 1 36 9 9 SER C C 174.595 0.004 1 37 9 9 SER CA C 58.381 0.066 1 38 9 9 SER N N 116.616 0.000 1 39 10 10 LYS H H 8.329 0.002 1 40 10 10 LYS CA C 56.375 0.000 1 41 10 10 LYS N N 123.440 0.000 1 42 11 11 ALA H H 8.254 0.000 1 43 11 11 ALA HA H 4.259 0.000 1 44 11 11 ALA C C 177.889 0.006 1 45 12 12 LYS H H 8.300 0.001 1 46 12 12 LYS N N 120.732 0.000 1 47 13 13 GLU C C 177.026 0.000 1 48 14 14 GLY H H 8.438 0.001 1 49 14 14 GLY C C 174.067 0.000 1 50 14 14 GLY CA C 45.411 0.000 1 51 14 14 GLY N N 109.991 0.000 1 52 15 15 VAL H H 7.954 0.004 1 53 15 15 VAL HA H 4.106 0.000 1 54 15 15 VAL C C 176.423 0.000 1 55 15 15 VAL CA C 62.594 0.000 1 56 15 15 VAL N N 119.984 0.000 1 57 16 16 VAL H H 8.246 0.003 1 58 16 16 VAL C C 175.965 0.000 1 59 16 16 VAL N N 124.866 0.000 1 60 17 17 ALA H H 8.404 0.001 1 61 17 17 ALA HA H 4.261 0.000 1 62 17 17 ALA C C 177.671 0.047 1 63 17 17 ALA CA C 52.547 0.000 1 64 17 17 ALA N N 128.331 0.000 1 65 18 18 ALA H H 8.274 0.003 1 66 18 18 ALA HA H 4.241 0.000 1 67 18 18 ALA C C 177.871 0.004 1 68 18 18 ALA CA C 52.781 0.000 1 69 18 18 ALA N N 123.630 0.000 1 70 19 19 ALA H H 8.248 0.002 1 71 19 19 ALA HA H 4.260 0.000 1 72 19 19 ALA C C 178.161 0.008 1 73 19 19 ALA N N 123.001 0.000 1 74 20 20 GLU H H 8.311 0.001 1 75 20 20 GLU C C 176.931 0.000 1 76 20 20 GLU CA C 56.826 0.000 1 77 20 20 GLU N N 119.927 0.000 1 78 21 21 LYS H H 8.309 0.000 1 79 21 21 LYS HA H 4.334 0.000 1 80 21 21 LYS C C 177.113 0.003 1 81 21 21 LYS CA C 56.774 0.000 1 82 21 21 LYS N N 122.118 0.000 1 83 22 22 THR H H 8.095 0.002 1 84 22 22 THR C C 174.699 0.000 1 85 22 22 THR N N 114.916 0.000 1 86 23 23 LYS H H 8.312 0.000 1 87 23 23 LYS N N 123.624 0.000 1 88 24 24 GLN C C 176.570 0.000 1 89 25 25 GLY H H 8.466 0.001 1 90 25 25 GLY C C 174.243 0.000 1 91 25 25 GLY CA C 45.426 0.000 1 92 25 25 GLY N N 110.524 0.000 1 93 26 26 VAL H H 7.984 0.002 1 94 26 26 VAL C C 176.424 0.000 1 95 26 26 VAL CA C 62.499 0.000 1 96 26 26 VAL N N 119.532 0.000 1 97 27 27 ALA H H 8.400 0.007 1 98 27 27 ALA HA H 4.295 0.000 1 99 27 27 ALA C C 178.059 0.002 1 100 27 27 ALA CA C 52.822 0.000 1 101 27 27 ALA N N 127.351 0.000 1 102 28 28 GLU H H 8.374 0.001 1 103 28 28 GLU C C 176.617 0.000 1 104 28 28 GLU CA C 56.875 0.000 1 105 28 28 GLU N N 120.492 0.000 1 106 29 29 ALA H H 8.278 0.001 1 107 29 29 ALA C C 177.706 0.000 1 108 29 29 ALA CA C 52.711 0.000 1 109 29 29 ALA N N 124.875 0.000 1 110 30 30 ALA H H 8.215 0.001 1 111 30 30 ALA HA H 4.286 0.000 1 112 30 30 ALA C C 178.450 0.002 1 113 30 30 ALA N N 123.005 0.000 1 114 31 31 GLY H H 8.305 0.002 1 115 31 31 GLY C C 174.261 0.000 1 116 31 31 GLY CA C 45.421 0.000 1 117 31 31 GLY N N 107.775 0.000 1 118 32 32 LYS H H 8.103 0.002 1 119 32 32 LYS HA H 4.416 0.001 1 120 32 32 LYS C C 177.000 0.001 1 121 32 32 LYS CA C 56.242 0.000 1 122 32 32 LYS N N 120.657 0.000 1 123 33 33 THR H H 8.197 0.002 1 124 33 33 THR HA H 4.346 0.000 1 125 33 33 THR C C 174.679 0.006 1 126 33 33 THR N N 115.350 0.000 1 127 34 34 LYS H H 8.437 0.001 1 128 34 34 LYS N N 123.672 0.000 1 129 35 35 GLU C C 176.961 0.000 1 130 36 36 GLY H H 8.406 0.002 1 131 36 36 GLY C C 174.063 0.000 1 132 36 36 GLY CA C 45.403 0.000 1 133 36 36 GLY N N 110.097 0.000 1 134 37 37 VAL H H 7.884 0.002 1 135 37 37 VAL HA H 4.067 0.000 1 136 37 37 VAL C C 175.938 0.019 1 137 37 37 VAL N N 119.379 0.000 1 138 38 38 LEU H H 8.245 0.003 1 139 38 38 LEU HA H 4.338 0.000 1 140 38 38 LEU CA C 55.017 0.029 1 141 38 38 LEU N N 125.590 0.000 1 142 39 39 TYR H H 8.227 0.002 1 143 39 39 TYR HA H 4.598 0.001 1 144 39 39 TYR C C 175.613 0.004 1 145 39 39 TYR CA C 57.840 0.021 1 146 39 39 TYR N N 122.152 0.000 1 147 40 40 VAL H H 8.056 0.001 1 148 40 40 VAL HA H 4.065 0.000 1 149 40 40 VAL C C 176.219 0.004 1 150 40 40 VAL CA C 62.284 0.000 1 151 40 40 VAL N N 122.920 0.000 1 152 41 41 GLY H H 8.061 0.002 1 153 41 41 GLY C C 174.022 0.000 1 154 41 41 GLY CA C 45.361 0.000 1 155 41 41 GLY N N 112.032 0.000 1 156 42 42 SER H H 8.222 0.002 1 157 42 42 SER HA H 4.441 0.001 1 158 42 42 SER C C 174.800 0.005 1 159 42 42 SER CA C 58.404 0.030 1 160 42 42 SER N N 115.566 0.000 1 161 43 43 LYS H H 8.453 0.002 1 162 43 43 LYS HA H 4.412 0.001 1 163 43 43 LYS C C 176.878 0.006 1 164 43 43 LYS CA C 56.471 0.063 1 165 43 43 LYS N N 123.345 0.000 1 166 44 44 THR H H 8.145 0.002 1 167 44 44 THR C C 174.616 0.000 1 168 44 44 THR N N 115.242 0.000 1 169 45 45 LYS H H 8.388 0.001 1 170 45 45 LYS N N 123.625 0.000 1 171 46 46 GLU C C 176.961 0.000 1 172 47 47 GLY H H 8.406 0.002 1 173 47 47 GLY C C 173.932 0.000 1 174 47 47 GLY CA C 45.359 0.000 1 175 47 47 GLY N N 110.097 0.000 1 176 48 48 VAL H H 7.894 0.002 1 177 48 48 VAL HA H 4.105 0.000 1 178 48 48 VAL C C 176.088 0.005 1 179 48 48 VAL N N 119.667 0.000 1 180 49 49 VAL H H 8.245 0.001 1 181 49 49 VAL HA H 4.067 0.000 1 182 49 49 VAL C C 175.918 0.001 1 183 49 49 VAL CA C 62.280 0.000 1 184 49 49 VAL N N 124.561 0.000 1 185 50 50 HIS H H 8.607 0.001 1 186 50 50 HIS HA H 4.720 0.000 1 187 50 50 HIS C C 175.021 0.000 1 188 50 50 HIS CA C 55.456 0.008 1 189 50 50 HIS N N 123.413 0.000 1 190 51 51 GLY H H 8.444 0.006 1 191 51 51 GLY C C 173.783 0.000 1 192 52 52 VAL H H 8.054 0.000 1 193 52 52 VAL HA H 4.154 0.000 1 194 52 52 VAL C C 175.916 0.000 1 195 52 52 VAL CA C 61.976 0.000 1 196 52 52 VAL N N 119.383 0.000 1 197 53 53 ALA H H 8.460 0.001 1 198 53 53 ALA HA H 4.413 0.003 1 199 53 53 ALA C C 177.811 0.000 1 200 53 53 ALA CA C 52.432 0.006 1 201 53 53 ALA N N 128.011 0.000 1 202 54 54 THR H H 8.182 0.002 1 203 54 54 THR C C 174.578 0.000 1 204 54 54 THR CA C 61.853 0.000 1 205 54 54 THR N N 114.574 0.000 1 206 55 55 VAL H H 8.192 0.002 1 207 55 55 VAL HA H 4.091 0.000 1 208 55 55 VAL C C 175.864 0.003 1 209 55 55 VAL N N 122.693 0.000 1 210 56 56 ALA H H 8.381 0.001 1 211 56 56 ALA HA H 4.291 0.000 1 212 56 56 ALA C C 177.750 0.011 1 213 56 56 ALA N N 127.878 0.000 1 214 57 57 GLU H H 8.340 0.000 1 215 57 57 GLU N N 120.744 0.000 1 216 58 58 LYS H H 8.394 0.000 1 217 58 58 LYS HA H 4.350 0.000 1 218 58 58 LYS C C 176.974 0.003 1 219 58 58 LYS N N 122.564 0.000 1 220 59 59 THR H H 8.169 0.001 1 221 59 59 THR C C 174.680 0.000 1 222 59 59 THR N N 115.603 0.000 1 223 60 60 LYS H H 8.345 0.003 1 224 60 60 LYS N N 123.499 0.000 1 225 62 62 GLN C C 175.957 0.000 1 226 62 62 GLN CA C 55.897 0.000 1 227 63 63 VAL H H 8.249 0.005 1 228 63 63 VAL HA H 4.190 0.005 1 229 63 63 VAL C C 176.322 0.011 1 230 63 63 VAL CA C 62.356 0.000 1 231 63 63 VAL N N 121.683 0.000 1 232 64 64 THR H H 8.264 0.002 1 233 64 64 THR HA H 4.368 0.000 1 234 64 64 THR C C 174.090 0.005 1 235 64 64 THR N N 117.811 0.000 1 236 65 65 ASN H H 8.488 0.002 1 237 65 65 ASN C C 175.230 0.000 1 238 65 65 ASN CA C 53.179 0.000 1 239 65 65 ASN N N 121.722 0.000 1 240 66 66 VAL H H 8.198 0.001 1 241 66 66 VAL HA H 4.126 0.000 1 242 66 66 VAL C C 176.829 0.008 1 243 66 66 VAL CA C 62.653 0.038 1 244 66 66 VAL N N 120.509 0.000 1 245 67 67 GLY H H 8.521 0.001 1 246 67 67 GLY HA2 H 3.966 0.000 1 247 67 67 GLY HA3 H 3.966 0.000 1 248 67 67 GLY C C 174.681 0.002 1 249 67 67 GLY CA C 45.387 0.000 1 250 67 67 GLY N N 112.478 0.000 1 251 68 68 GLY H H 8.204 0.018 1 252 68 68 GLY C C 173.776 0.000 1 253 68 68 GLY CA C 45.134 0.000 1 254 68 68 GLY N N 108.795 0.000 1 255 69 69 ALA H H 8.143 0.001 1 256 69 69 ALA HA H 4.358 0.003 1 257 69 69 ALA C C 177.642 0.001 1 258 69 69 ALA CA C 52.348 0.021 1 259 69 69 ALA N N 123.758 0.000 1 260 70 70 VAL H H 8.170 0.001 1 261 70 70 VAL HA H 4.096 0.000 1 262 70 70 VAL C C 176.313 0.004 1 263 70 70 VAL N N 120.232 0.000 1 264 71 71 VAL H H 8.338 0.003 1 265 71 71 VAL HA H 4.219 0.003 1 266 71 71 VAL C C 176.275 0.006 1 267 71 71 VAL CA C 62.129 0.000 1 268 71 71 VAL N N 124.991 0.000 1 269 72 72 THR H H 8.264 0.000 1 270 72 72 THR HA H 4.368 0.000 1 271 72 72 THR C C 174.936 0.001 1 272 72 72 THR N N 118.293 0.000 1 273 73 73 GLY H H 8.406 0.001 1 274 73 73 GLY C C 174.078 0.000 1 275 73 73 GLY CA C 45.305 0.000 1 276 73 73 GLY N N 111.224 0.000 1 277 74 74 VAL H H 8.054 0.002 1 278 74 74 VAL HA H 4.196 0.001 1 279 74 74 VAL C C 176.535 0.008 1 280 74 74 VAL CA C 62.356 0.000 1 281 74 74 VAL N N 119.383 0.000 1 282 75 75 THR H H 8.255 0.002 1 283 75 75 THR HA H 4.317 0.000 1 284 75 75 THR C C 174.126 0.002 1 285 75 75 THR N N 118.498 0.000 1 286 76 76 ALA H H 8.323 0.003 1 287 76 76 ALA HA H 4.348 0.000 1 288 76 76 ALA C C 177.579 0.009 1 289 76 76 ALA CA C 52.480 0.032 1 290 76 76 ALA N N 127.158 0.000 1 291 77 77 VAL H H 8.088 0.002 1 292 77 77 VAL HA H 4.059 0.000 1 293 77 77 VAL C C 176.012 0.000 1 294 77 77 VAL N N 119.718 0.000 1 295 78 78 ALA H H 8.363 0.006 1 296 78 78 ALA HA H 4.290 0.000 1 297 78 78 ALA C C 177.620 0.005 1 298 78 78 ALA N N 127.887 0.000 1 299 79 79 GLN H H 8.337 0.001 1 300 79 79 GLN C C 175.947 0.000 1 301 79 79 GLN CA C 55.771 0.000 1 302 79 79 GLN N N 120.125 0.000 1 303 80 80 LYS H H 8.388 0.004 1 304 80 80 LYS CA C 56.355 0.000 1 305 80 80 LYS N N 123.032 0.000 1 306 81 81 THR H H 8.256 0.003 1 307 81 81 THR HA H 4.354 0.000 1 308 81 81 THR C C 174.475 0.003 1 309 81 81 THR N N 116.601 0.000 1 310 82 82 VAL H H 8.255 0.003 1 311 82 82 VAL HA H 4.125 0.000 1 312 82 82 VAL C C 176.131 0.012 1 313 82 82 VAL CA C 62.337 0.000 1 314 82 82 VAL N N 122.755 0.000 1 315 83 83 GLU H H 8.539 0.002 1 316 83 83 GLU C C 177.033 0.000 1 317 83 83 GLU N N 125.095 0.000 1 318 84 84 GLY H H 8.476 0.001 1 319 84 84 GLY C C 174.170 0.000 1 320 84 84 GLY CA C 45.369 0.000 1 321 84 84 GLY N N 110.548 0.000 1 322 85 85 ALA H H 8.235 0.001 1 323 85 85 ALA HA H 4.306 0.000 1 324 85 85 ALA C C 178.464 0.002 1 325 85 85 ALA CA C 52.880 0.000 1 326 85 85 ALA N N 123.938 0.000 1 327 86 86 GLY H H 8.465 0.001 1 328 86 86 GLY HA2 H 3.965 0.000 1 329 86 86 GLY HA3 H 3.965 0.000 1 330 86 86 GLY C C 174.344 0.002 1 331 86 86 GLY CA C 45.383 0.000 1 332 86 86 GLY N N 108.100 0.000 1 333 87 87 SER H H 8.140 0.004 1 334 87 87 SER HA H 4.463 0.001 1 335 87 87 SER C C 174.761 0.006 1 336 87 87 SER CA C 58.368 0.032 1 337 87 87 SER N N 115.631 0.000 1 338 88 88 ILE H H 8.161 0.001 1 339 88 88 ILE HA H 4.167 0.003 1 340 88 88 ILE C C 176.240 0.005 1 341 88 88 ILE CA C 61.347 0.045 1 342 88 88 ILE N N 122.590 0.000 1 343 89 89 ALA H H 8.311 0.001 1 344 89 89 ALA HA H 4.260 0.000 1 345 89 89 ALA C C 177.556 0.004 1 346 89 89 ALA CA C 52.647 0.000 1 347 89 89 ALA N N 127.854 0.000 1 348 90 90 ALA H H 8.165 0.002 1 349 90 90 ALA C C 177.717 0.000 1 350 90 90 ALA CA C 52.496 0.000 1 351 90 90 ALA N N 123.208 0.000 1 352 91 91 ALA H H 8.257 0.003 1 353 91 91 ALA HA H 4.357 0.004 1 354 91 91 ALA C C 178.113 0.002 1 355 91 91 ALA CA C 52.654 0.038 1 356 91 91 ALA N N 123.256 0.000 1 357 92 92 THR H H 8.054 0.001 1 358 92 92 THR HA H 4.301 0.000 1 359 92 92 THR C C 175.163 0.001 1 360 92 92 THR N N 112.412 0.000 1 361 93 93 GLY H H 8.285 0.002 1 362 93 93 GLY HA2 H 3.908 0.000 1 363 93 93 GLY HA3 H 3.908 0.000 1 364 93 93 GLY C C 173.671 0.003 1 365 93 93 GLY N N 110.595 0.000 1 366 94 94 PHE H H 8.066 0.001 1 367 94 94 PHE HA H 4.615 0.002 1 368 94 94 PHE C C 175.475 0.011 1 369 94 94 PHE CA C 57.797 0.008 1 370 94 94 PHE N N 120.229 0.000 1 371 95 95 VAL H H 8.029 0.003 1 372 95 95 VAL HA H 4.022 0.004 1 373 95 95 VAL C C 175.455 0.006 1 374 95 95 VAL CA C 61.994 0.000 1 375 95 95 VAL N N 123.319 0.000 1 376 96 96 LYS H H 8.364 0.002 1 377 96 96 LYS N N 126.210 0.000 1 378 97 97 LYS H H 8.438 0.000 1 379 97 97 LYS C C 176.373 0.000 1 380 97 97 LYS N N 123.672 0.000 1 381 98 98 ASP H H 8.385 0.000 1 382 98 98 ASP HA H 4.564 0.001 1 383 98 98 ASP C C 176.234 0.002 1 384 98 98 ASP CA C 54.461 0.034 1 385 98 98 ASP N N 121.069 0.000 1 386 99 99 GLN H H 8.319 0.004 1 387 99 99 GLN C C 176.023 0.000 1 388 99 99 GLN CA C 55.897 0.000 1 389 99 99 GLN N N 120.126 0.000 1 390 100 100 LEU H H 8.257 0.001 1 391 100 100 LEU HA H 4.329 0.006 1 392 100 100 LEU C C 177.992 0.007 1 393 100 100 LEU CA C 55.422 0.040 1 394 100 100 LEU N N 122.755 0.000 1 395 101 101 GLY H H 8.450 0.002 1 396 101 101 GLY C C 174.116 0.000 1 397 101 101 GLY N N 109.706 0.000 1 398 102 102 LYS H H 8.182 0.000 1 399 102 102 LYS C C 176.448 0.000 1 400 102 102 LYS CA C 56.284 0.000 1 401 102 102 LYS N N 120.710 0.000 1 402 103 103 ASN H H 8.592 0.001 1 403 103 103 ASN HA H 4.690 0.000 1 404 103 103 ASN C C 175.292 0.000 1 405 103 103 ASN CA C 53.376 0.018 1 406 103 103 ASN N N 119.970 0.000 1 407 104 104 GLU H H 8.459 0.001 1 408 104 104 GLU N N 121.365 0.000 1 409 106 106 GLY H H 8.409 0.000 1 410 106 106 GLY HA2 H 3.926 0.000 1 411 106 106 GLY HA3 H 3.926 0.000 1 412 106 106 GLY C C 173.454 0.002 1 413 106 106 GLY CA C 45.117 0.000 1 414 106 106 GLY N N 109.890 0.000 1 415 107 107 ALA H H 8.103 0.000 1 416 107 107 ALA N N 124.904 0.000 1 417 108 108 PRO HA H 4.429 0.005 1 418 108 108 PRO C C 177.082 0.005 1 419 108 108 PRO CA C 63.109 0.041 1 420 109 109 GLN H H 8.548 0.001 1 421 109 109 GLN C C 175.997 0.000 1 422 109 109 GLN CA C 55.793 0.000 1 423 109 109 GLN N N 121.022 0.000 1 424 110 110 GLU H H 8.486 0.001 1 425 110 110 GLU N N 122.312 0.000 1 426 111 111 GLY H H 8.408 0.000 1 427 111 111 GLY C C 173.820 0.000 1 428 111 111 GLY CA C 45.372 0.000 1 429 111 111 GLY N N 109.870 0.000 1 430 112 112 ILE H H 7.960 0.001 1 431 112 112 ILE HA H 4.171 0.007 1 432 112 112 ILE C C 176.233 0.012 1 433 112 112 ILE CA C 60.948 0.027 1 434 112 112 ILE N N 119.984 0.000 1 435 113 113 LEU H H 8.365 0.002 1 436 113 113 LEU HA H 4.389 0.001 1 437 113 113 LEU C C 177.149 0.012 1 438 113 113 LEU CA C 55.017 0.061 1 439 113 113 LEU N N 126.782 0.000 1 440 114 114 GLU H H 8.386 0.003 1 441 114 114 GLU HA H 4.232 0.000 1 442 114 114 GLU C C 175.897 0.018 1 443 114 114 GLU CA C 56.505 0.000 1 444 115 115 ASP H H 8.329 0.002 1 445 115 115 ASP HA H 4.571 0.000 1 446 115 115 ASP C C 175.806 0.000 1 447 115 115 ASP CA C 54.237 0.033 1 448 115 115 ASP N N 121.263 0.000 1 449 116 116 MET H H 8.221 0.005 1 450 116 116 MET N N 121.859 0.000 1 451 117 117 PRO HA H 4.454 0.002 1 452 117 117 PRO C C 176.714 0.000 1 453 117 117 PRO CA C 62.945 0.024 1 454 118 118 VAL H H 8.244 0.001 1 455 118 118 VAL HA H 4.070 0.000 1 456 118 118 VAL C C 175.731 0.001 1 457 118 118 VAL N N 120.589 0.000 1 458 119 119 ASP H H 8.466 0.003 1 459 119 119 ASP N N 125.658 0.000 1 460 120 120 PRO HA H 4.340 0.002 1 461 120 120 PRO C C 176.924 0.035 1 462 120 120 PRO CA C 63.543 0.055 1 463 121 121 ASP H H 8.368 0.001 1 464 121 121 ASP HA H 4.601 0.000 1 465 121 121 ASP C C 176.175 0.000 1 466 121 121 ASP CA C 54.548 0.026 1 467 121 121 ASP N N 119.254 0.000 1 468 122 122 ASN H H 8.115 0.001 1 469 122 122 ASN HA H 4.672 0.000 1 470 122 122 ASN C C 175.390 0.000 1 471 122 122 ASN CA C 53.483 0.019 1 472 122 122 ASN N N 119.049 0.000 1 473 123 123 GLU H H 8.352 0.001 1 474 123 123 GLU HA H 4.207 0.000 1 475 123 123 GLU C C 176.087 0.010 1 476 123 123 GLU N N 121.599 0.000 1 477 124 124 ALA H H 8.197 0.000 1 478 124 124 ALA HA H 4.277 0.000 1 479 124 124 ALA C C 177.224 0.002 1 480 124 124 ALA CA C 52.398 0.000 1 481 124 124 ALA N N 124.315 0.000 1 482 125 125 TYR H H 7.991 0.001 1 483 125 125 TYR HA H 4.525 0.001 1 484 125 125 TYR C C 175.382 0.013 1 485 125 125 TYR CA C 57.718 0.033 1 486 125 125 TYR N N 119.736 0.000 1 487 126 126 GLU H H 8.121 0.000 1 488 126 126 GLU HA H 4.259 0.000 1 489 126 126 GLU C C 175.500 0.000 1 490 126 126 GLU CA C 55.725 0.046 1 491 126 126 GLU N N 123.443 0.000 1 492 127 127 MET H H 8.380 0.003 1 493 127 127 MET N N 123.618 0.000 1 494 128 128 PRO HA H 4.433 0.001 1 495 128 128 PRO C C 176.930 0.006 1 496 128 128 PRO CA C 63.108 0.040 1 497 129 129 SER H H 8.440 0.003 1 498 129 129 SER HA H 4.416 0.006 1 499 129 129 SER C C 174.819 0.005 1 500 129 129 SER CA C 58.312 0.005 1 501 129 129 SER N N 116.587 0.000 1 502 130 130 GLU H H 8.538 0.001 1 503 130 130 GLU C C 176.299 0.000 1 504 130 130 GLU N N 123.059 0.000 1 505 131 131 GLU H H 8.398 0.007 1 506 131 131 GLU C C 176.955 0.000 1 507 131 131 GLU N N 121.594 0.000 1 508 132 132 GLY H H 8.376 0.000 1 509 132 132 GLY C C 173.875 0.000 1 510 132 132 GLY CA C 45.271 0.000 1 511 132 132 GLY N N 109.810 0.000 1 512 133 133 TYR H H 8.036 0.004 1 513 133 133 TYR HA H 4.516 0.002 1 514 133 133 TYR C C 175.749 0.001 1 515 133 133 TYR CA C 58.085 0.033 1 516 133 133 TYR N N 120.241 0.000 1 517 134 134 GLN H H 8.213 0.001 1 518 134 134 GLN HA H 4.258 0.001 1 519 134 134 GLN C C 174.938 0.004 1 520 134 134 GLN CA C 55.517 0.026 1 521 134 134 GLN N N 122.524 0.000 1 522 135 135 ASP H H 8.223 0.003 1 523 135 135 ASP HA H 4.533 0.005 1 524 135 135 ASP C C 175.479 0.006 1 525 135 135 ASP CA C 54.197 0.022 1 526 135 135 ASP N N 121.563 0.000 1 527 136 136 TYR H H 8.023 0.001 1 528 136 136 TYR HA H 4.556 0.001 1 529 136 136 TYR C C 175.062 0.003 1 530 136 136 TYR CA C 57.591 0.039 1 531 136 136 TYR N N 120.507 0.000 1 532 137 137 GLU H H 8.211 0.000 1 533 137 137 GLU N N 125.200 0.000 1 534 138 138 PRO HA H 4.348 0.002 1 535 138 138 PRO C C 176.929 0.042 1 536 138 138 PRO CA C 62.959 0.043 1 537 139 139 GLU H H 8.484 0.001 1 538 139 139 GLU HA H 4.222 0.000 1 539 139 139 GLU C C 175.360 0.008 1 540 139 139 GLU CA C 56.590 0.000 1 541 139 139 GLU N N 121.457 0.000 1 542 140 140 ALA H H 7.952 0.001 1 543 140 140 ALA HA H 4.109 0.001 1 544 140 140 ALA C C 182.480 0.000 1 545 140 140 ALA CA C 53.764 0.000 1 546 140 140 ALA N N 130.774 0.000 1 stop_ save_ save_assigned_chem_shift_list_33 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D HA(CA)CO' '2D H(NCO)CA' '2D H(N)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $temp_30 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'alpha synuclein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.101 0.002 1 2 1 1 MET C C 172.215 0.000 1 3 1 1 MET CA C 55.152 0.000 1 4 2 2 ASP C C 175.812 0.000 1 5 2 2 ASP CA C 54.288 0.000 1 6 3 3 VAL H H 8.188 0.004 1 7 3 3 VAL HA H 4.028 0.003 1 8 3 3 VAL C C 175.875 0.008 1 9 3 3 VAL CA C 62.534 0.020 1 10 3 3 VAL N N 120.169 0.000 1 11 4 4 PHE H H 8.288 0.002 1 12 4 4 PHE HA H 4.628 0.000 1 13 4 4 PHE C C 175.825 0.000 1 14 4 4 PHE CA C 57.942 0.040 1 15 4 4 PHE N N 123.277 0.000 1 16 5 5 MET H H 8.178 0.001 1 17 5 5 MET HA H 4.390 0.004 1 18 5 5 MET C C 175.903 0.041 1 19 5 5 MET CA C 55.439 0.101 1 20 5 5 MET N N 122.045 0.000 1 21 6 6 LYS H H 8.206 0.002 1 22 6 6 LYS HA H 4.209 0.000 1 23 6 6 LYS C C 177.108 0.006 1 24 6 6 LYS N N 122.410 0.000 1 25 7 7 GLY H H 8.354 0.000 1 26 7 7 GLY C C 174.195 0.000 1 27 7 7 GLY CA C 45.443 0.000 1 28 7 7 GLY N N 109.765 0.000 1 29 8 8 LEU H H 8.009 0.003 1 30 8 8 LEU HA H 4.381 0.008 1 31 8 8 LEU C C 177.599 0.008 1 32 8 8 LEU CA C 55.196 0.085 1 33 8 8 LEU N N 121.532 0.000 1 34 9 9 SER H H 8.266 0.001 1 35 9 9 SER HA H 4.424 0.006 1 36 9 9 SER C C 174.591 0.001 1 37 9 9 SER CA C 58.391 0.072 1 38 9 9 SER N N 116.526 0.000 1 39 10 10 LYS H H 8.298 0.007 1 40 10 10 LYS CA C 56.346 0.000 1 41 10 10 LYS N N 123.393 0.000 1 42 11 11 ALA H H 8.227 0.000 1 43 11 11 ALA HA H 4.270 0.000 1 44 11 11 ALA C C 177.851 0.001 1 45 12 12 LYS H H 8.260 0.001 1 46 12 12 LYS N N 120.607 0.000 1 47 13 13 GLU C C 177.001 0.000 1 48 14 14 GLY H H 8.393 0.000 1 49 14 14 GLY C C 174.065 0.000 1 50 14 14 GLY CA C 45.403 0.000 1 51 14 14 GLY N N 109.845 0.000 1 52 15 15 VAL H H 7.922 0.001 1 53 15 15 VAL HA H 4.106 0.000 1 54 15 15 VAL C C 176.377 0.005 1 55 15 15 VAL CA C 62.589 0.000 1 56 15 15 VAL N N 119.877 0.000 1 57 16 16 VAL H H 8.201 0.002 1 58 16 16 VAL C C 175.937 0.000 1 59 16 16 VAL N N 124.632 0.000 1 60 17 17 ALA H H 8.361 0.003 1 61 17 17 ALA HA H 4.264 0.000 1 62 17 17 ALA C C 177.632 0.052 1 63 17 17 ALA CA C 52.547 0.000 1 64 17 17 ALA N N 128.218 0.000 1 65 18 18 ALA H H 8.231 0.003 1 66 18 18 ALA HA H 4.240 0.000 1 67 18 18 ALA C C 177.841 0.000 1 68 18 18 ALA CA C 52.776 0.000 1 69 18 18 ALA N N 123.548 0.000 1 70 19 19 ALA H H 8.212 0.001 1 71 19 19 ALA HA H 4.269 0.000 1 72 19 19 ALA C C 178.117 0.001 1 73 19 19 ALA N N 122.918 0.000 1 74 20 20 GLU H H 8.282 0.000 1 75 20 20 GLU C C 176.915 0.000 1 76 20 20 GLU CA C 56.875 0.000 1 77 20 20 GLU N N 119.821 0.000 1 78 21 21 LYS H H 8.273 0.002 1 79 21 21 LYS HA H 4.329 0.000 1 80 21 21 LYS C C 177.085 0.001 1 81 21 21 LYS CA C 56.777 0.000 1 82 21 21 LYS N N 121.943 0.000 1 83 22 22 THR H H 8.057 0.003 1 84 22 22 THR C C 174.687 0.000 1 85 22 22 THR N N 114.747 0.000 1 86 23 23 LYS H H 8.276 0.000 1 87 23 23 LYS N N 123.509 0.000 1 88 24 24 GLN C C 176.536 0.000 1 89 25 25 GLY H H 8.439 0.001 1 90 25 25 GLY C C 174.224 0.000 1 91 25 25 GLY CA C 45.446 0.000 1 92 25 25 GLY N N 110.448 0.000 1 93 26 26 VAL H H 7.948 0.003 1 94 26 26 VAL C C 176.409 0.000 1 95 26 26 VAL CA C 62.523 0.000 1 96 26 26 VAL N N 119.392 0.000 1 97 27 27 ALA H H 8.365 0.009 1 98 27 27 ALA HA H 4.309 0.000 1 99 27 27 ALA C C 178.007 0.005 1 100 27 27 ALA CA C 52.796 0.000 1 101 27 27 ALA N N 127.297 0.000 1 102 28 28 GLU H H 8.340 0.001 1 103 28 28 GLU C C 176.582 0.000 1 104 28 28 GLU CA C 56.906 0.000 1 105 28 28 GLU N N 120.406 0.000 1 106 29 29 ALA H H 8.247 0.001 1 107 29 29 ALA C C 177.669 0.000 1 108 29 29 ALA CA C 52.705 0.000 1 109 29 29 ALA N N 124.814 0.000 1 110 30 30 ALA H H 8.184 0.001 1 111 30 30 ALA HA H 4.296 0.000 1 112 30 30 ALA C C 178.419 0.000 1 113 30 30 ALA N N 122.960 0.000 1 114 31 31 GLY H H 8.278 0.001 1 115 31 31 GLY C C 174.262 0.000 1 116 31 31 GLY CA C 45.470 0.000 1 117 31 31 GLY N N 107.712 0.000 1 118 32 32 LYS H H 8.078 0.000 1 119 32 32 LYS HA H 4.415 0.002 1 120 32 32 LYS C C 176.973 0.002 1 121 32 32 LYS CA C 56.242 0.000 1 122 32 32 LYS N N 120.633 0.000 1 123 33 33 THR H H 8.159 0.001 1 124 33 33 THR HA H 4.348 0.000 1 125 33 33 THR C C 174.674 0.002 1 126 33 33 THR N N 115.206 0.000 1 127 34 34 LYS H H 8.398 0.002 1 128 34 34 LYS N N 123.566 0.000 1 129 35 35 GLU C C 176.961 0.000 1 130 36 36 GLY H H 8.369 0.000 1 131 36 36 GLY C C 174.064 0.000 1 132 36 36 GLY CA C 45.432 0.000 1 133 36 36 GLY N N 110.023 0.000 1 134 37 37 VAL H H 7.849 0.002 1 135 37 37 VAL HA H 4.071 0.000 1 136 37 37 VAL C C 175.939 0.007 1 137 37 37 VAL N N 119.270 0.000 1 138 38 38 LEU H H 8.207 0.003 1 139 38 38 LEU HA H 4.338 0.000 1 140 38 38 LEU CA C 55.050 0.035 1 141 38 38 LEU N N 125.469 0.000 1 142 39 39 TYR H H 8.186 0.002 1 143 39 39 TYR HA H 4.605 0.002 1 144 39 39 TYR C C 175.599 0.014 1 145 39 39 TYR CA C 57.833 0.005 1 146 39 39 TYR N N 122.013 0.000 1 147 40 40 VAL H H 8.022 0.002 1 148 40 40 VAL HA H 4.086 0.000 1 149 40 40 VAL C C 176.243 0.019 1 150 40 40 VAL CA C 62.296 0.000 1 151 40 40 VAL N N 122.698 0.000 1 152 41 41 GLY H H 8.044 0.001 1 153 41 41 GLY C C 174.028 0.000 1 154 41 41 GLY CA C 45.412 0.000 1 155 41 41 GLY N N 111.945 0.000 1 156 42 42 SER H H 8.190 0.005 1 157 42 42 SER HA H 4.447 0.002 1 158 42 42 SER C C 174.786 0.003 1 159 42 42 SER CA C 58.374 0.039 1 160 42 42 SER N N 115.528 0.000 1 161 43 43 LYS H H 8.418 0.002 1 162 43 43 LYS HA H 4.412 0.001 1 163 43 43 LYS C C 176.853 0.002 1 164 43 43 LYS CA C 56.474 0.068 1 165 43 43 LYS N N 123.269 0.000 1 166 44 44 THR H H 8.113 0.003 1 167 44 44 THR C C 174.607 0.000 1 168 44 44 THR N N 115.092 0.000 1 169 45 45 LYS H H 8.352 0.000 1 170 45 45 LYS N N 123.526 0.000 1 171 46 46 GLU C C 176.953 0.000 1 172 47 47 GLY H H 8.369 0.000 1 173 47 47 GLY C C 173.937 0.000 1 174 47 47 GLY CA C 45.379 0.000 1 175 47 47 GLY N N 110.023 0.000 1 176 48 48 VAL H H 7.862 0.001 1 177 48 48 VAL HA H 4.104 0.000 1 178 48 48 VAL C C 176.059 0.001 1 179 48 48 VAL N N 119.546 0.000 1 180 49 49 VAL H H 8.203 0.002 1 181 49 49 VAL HA H 4.071 0.000 1 182 49 49 VAL C C 175.901 0.002 1 183 49 49 VAL CA C 62.286 0.000 1 184 49 49 VAL N N 124.356 0.000 1 185 50 50 HIS H H 8.553 0.003 1 186 50 50 HIS HA H 4.720 0.000 1 187 50 50 HIS CA C 55.470 0.022 1 188 50 50 HIS N N 123.297 0.000 1 189 51 51 GLY H H 8.416 0.000 1 190 51 51 GLY C C 173.788 0.000 1 191 52 52 VAL H H 8.018 0.002 1 192 52 52 VAL HA H 4.154 0.001 1 193 52 52 VAL C C 175.894 0.000 1 194 52 52 VAL CA C 61.991 0.000 1 195 52 52 VAL N N 119.290 0.000 1 196 53 53 ALA H H 8.425 0.001 1 197 53 53 ALA HA H 4.415 0.004 1 198 53 53 ALA C C 177.798 0.013 1 199 53 53 ALA CA C 52.455 0.027 1 200 53 53 ALA N N 127.868 0.000 1 201 54 54 THR H H 8.142 0.002 1 202 54 54 THR C C 174.575 0.000 1 203 54 54 THR CA C 61.869 0.000 1 204 54 54 THR N N 114.397 0.000 1 205 55 55 VAL H H 8.145 0.001 1 206 55 55 VAL HA H 4.091 0.000 1 207 55 55 VAL C C 175.853 0.014 1 208 55 55 VAL N N 122.474 0.000 1 209 56 56 ALA H H 8.340 0.000 1 210 56 56 ALA HA H 4.300 0.000 1 211 56 56 ALA C C 177.734 0.001 1 212 56 56 ALA N N 127.755 0.000 1 213 57 57 GLU H H 8.305 0.002 1 214 57 57 GLU N N 120.625 0.000 1 215 58 58 LYS H H 8.355 0.000 1 216 58 58 LYS HA H 4.348 0.000 1 217 58 58 LYS C C 176.948 0.004 1 218 58 58 LYS N N 122.411 0.000 1 219 59 59 THR H H 8.131 0.002 1 220 59 59 THR C C 174.677 0.000 1 221 59 59 THR N N 115.404 0.000 1 222 60 60 LYS H H 8.311 0.009 1 223 60 60 LYS N N 123.433 0.000 1 224 62 62 GLN C C 175.946 0.000 1 225 62 62 GLN CA C 55.889 0.000 1 226 63 63 VAL H H 8.204 0.002 1 227 63 63 VAL HA H 4.199 0.001 1 228 63 63 VAL C C 176.315 0.006 1 229 63 63 VAL CA C 62.358 0.000 1 230 63 63 VAL N N 121.504 0.000 1 231 64 64 THR H H 8.227 0.002 1 232 64 64 THR HA H 4.368 0.000 1 233 64 64 THR C C 174.091 0.007 1 234 64 64 THR N N 117.633 0.000 1 235 65 65 ASN H H 8.451 0.003 1 236 65 65 ASN HA H 4.784 0.000 1 237 65 65 ASN C C 175.203 0.000 1 238 65 65 ASN CA C 53.178 0.007 1 239 65 65 ASN N N 121.642 0.000 1 240 66 66 VAL H H 8.159 0.001 1 241 66 66 VAL HA H 4.127 0.002 1 242 66 66 VAL C C 176.786 0.002 1 243 66 66 VAL CA C 62.614 0.045 1 244 66 66 VAL N N 120.389 0.000 1 245 67 67 GLY H H 8.483 0.002 1 246 67 67 GLY HA2 H 3.967 0.000 1 247 67 67 GLY HA3 H 3.967 0.000 1 248 67 67 GLY C C 174.671 0.002 1 249 67 67 GLY CA C 45.403 0.000 1 250 67 67 GLY N N 112.368 0.000 1 251 68 68 GLY H H 8.176 0.022 1 252 68 68 GLY C C 173.778 0.000 1 253 68 68 GLY CA C 45.159 0.000 1 254 68 68 GLY N N 108.764 0.000 1 255 69 69 ALA H H 8.113 0.001 1 256 69 69 ALA HA H 4.357 0.002 1 257 69 69 ALA C C 177.615 0.000 1 258 69 69 ALA CA C 52.374 0.014 1 259 69 69 ALA N N 123.729 0.000 1 260 70 70 VAL H H 8.127 0.001 1 261 70 70 VAL HA H 4.112 0.000 1 262 70 70 VAL C C 176.296 0.003 1 263 70 70 VAL N N 120.053 0.000 1 264 71 71 VAL H H 8.292 0.000 1 265 71 71 VAL HA H 4.219 0.004 1 266 71 71 VAL C C 176.262 0.007 1 267 71 71 VAL CA C 62.142 0.000 1 268 71 71 VAL N N 124.751 0.000 1 269 72 72 THR H H 8.223 0.001 1 270 72 72 THR HA H 4.368 0.000 1 271 72 72 THR C C 174.931 0.001 1 272 72 72 THR N N 118.140 0.000 1 273 73 73 GLY H H 8.373 0.002 1 274 73 73 GLY C C 174.086 0.000 1 275 73 73 GLY CA C 45.338 0.000 1 276 73 73 GLY N N 111.159 0.000 1 277 74 74 VAL H H 8.019 0.003 1 278 74 74 VAL HA H 4.194 0.003 1 279 74 74 VAL C C 176.523 0.009 1 280 74 74 VAL CA C 62.358 0.000 1 281 74 74 VAL N N 119.290 0.000 1 282 75 75 THR H H 8.212 0.001 1 283 75 75 THR HA H 4.317 0.000 1 284 75 75 THR C C 174.127 0.003 1 285 75 75 THR N N 118.219 0.000 1 286 76 76 ALA H H 8.281 0.002 1 287 76 76 ALA HA H 4.354 0.004 1 288 76 76 ALA C C 177.558 0.008 1 289 76 76 ALA CA C 52.496 0.022 1 290 76 76 ALA N N 127.018 0.000 1 291 77 77 VAL H H 8.041 0.000 1 292 77 77 VAL HA H 4.063 0.000 1 293 77 77 VAL C C 175.984 0.003 1 294 77 77 VAL N N 119.520 0.000 1 295 78 78 ALA H H 8.315 0.002 1 296 78 78 ALA HA H 4.288 0.000 1 297 78 78 ALA C C 177.605 0.004 1 298 78 78 ALA N N 127.705 0.000 1 299 79 79 GLN H H 8.295 0.001 1 300 79 79 GLN C C 175.931 0.000 1 301 79 79 GLN CA C 55.824 0.000 1 302 79 79 GLN N N 120.012 0.000 1 303 80 80 LYS H H 8.348 0.004 1 304 80 80 LYS CA C 56.440 0.000 1 305 80 80 LYS N N 122.883 0.000 1 306 81 81 THR H H 8.213 0.000 1 307 81 81 THR HA H 4.354 0.000 1 308 81 81 THR C C 174.470 0.003 1 309 81 81 THR N N 116.415 0.000 1 310 82 82 VAL H H 8.211 0.002 1 311 82 82 VAL HA H 4.128 0.000 1 312 82 82 VAL C C 176.128 0.009 1 313 82 82 VAL CA C 62.345 0.000 1 314 82 82 VAL N N 122.663 0.000 1 315 83 83 GLU H H 8.502 0.002 1 316 83 83 GLU C C 177.019 0.000 1 317 83 83 GLU N N 124.956 0.000 1 318 84 84 GLY H H 8.439 0.001 1 319 84 84 GLY C C 174.159 0.000 1 320 84 84 GLY CA C 45.412 0.000 1 321 84 84 GLY N N 110.448 0.000 1 322 85 85 ALA H H 8.201 0.004 1 323 85 85 ALA HA H 4.315 0.000 1 324 85 85 ALA C C 178.430 0.001 1 325 85 85 ALA CA C 52.891 0.000 1 326 85 85 ALA N N 123.888 0.000 1 327 86 86 GLY H H 8.430 0.001 1 328 86 86 GLY HA2 H 3.966 0.000 1 329 86 86 GLY HA3 H 3.966 0.000 1 330 86 86 GLY C C 174.340 0.003 1 331 86 86 GLY CA C 45.442 0.000 1 332 86 86 GLY N N 107.979 0.000 1 333 87 87 SER H H 8.114 0.002 1 334 87 87 SER HA H 4.465 0.002 1 335 87 87 SER C C 174.751 0.001 1 336 87 87 SER CA C 58.373 0.036 1 337 87 87 SER N N 115.566 0.000 1 338 88 88 ILE H H 8.124 0.001 1 339 88 88 ILE HA H 4.168 0.005 1 340 88 88 ILE C C 176.233 0.012 1 341 88 88 ILE CA C 61.373 0.048 1 342 88 88 ILE N N 122.464 0.000 1 343 89 89 ALA H H 8.274 0.001 1 344 89 89 ALA HA H 4.272 0.000 1 345 89 89 ALA C C 177.543 0.019 1 346 89 89 ALA CA C 52.647 0.000 1 347 89 89 ALA N N 127.721 0.000 1 348 90 90 ALA H H 8.124 0.002 1 349 90 90 ALA C C 177.688 0.000 1 350 90 90 ALA CA C 52.504 0.000 1 351 90 90 ALA N N 123.110 0.000 1 352 91 91 ALA H H 8.218 0.001 1 353 91 91 ALA HA H 4.358 0.002 1 354 91 91 ALA C C 178.085 0.001 1 355 91 91 ALA CA C 52.671 0.036 1 356 91 91 ALA N N 123.172 0.000 1 357 92 92 THR H H 8.014 0.000 1 358 92 92 THR HA H 4.301 0.000 1 359 92 92 THR C C 175.151 0.000 1 360 92 92 THR N N 112.265 0.000 1 361 93 93 GLY H H 8.250 0.000 1 362 93 93 GLY HA2 H 3.908 0.000 1 363 93 93 GLY HA3 H 3.908 0.000 1 364 93 93 GLY C C 173.676 0.001 1 365 93 93 GLY N N 110.523 0.000 1 366 94 94 PHE H H 8.038 0.001 1 367 94 94 PHE HA H 4.631 0.008 1 368 94 94 PHE C C 175.459 0.011 1 369 94 94 PHE CA C 57.731 0.044 1 370 94 94 PHE N N 120.162 0.000 1 371 95 95 VAL H H 7.997 0.003 1 372 95 95 VAL HA H 4.030 0.004 1 373 95 95 VAL C C 175.458 0.002 1 374 95 95 VAL CA C 62.020 0.000 1 375 95 95 VAL N N 123.065 0.000 1 376 96 96 LYS H H 8.326 0.002 1 377 96 96 LYS N N 126.059 0.000 1 378 97 97 LYS H H 8.400 0.000 1 379 97 97 LYS C C 176.354 0.000 1 380 97 97 LYS N N 123.566 0.000 1 381 98 98 ASP H H 8.355 0.001 1 382 98 98 ASP HA H 4.563 0.002 1 383 98 98 ASP C C 176.262 0.026 1 384 98 98 ASP CA C 54.471 0.042 1 385 98 98 ASP N N 120.982 0.000 1 386 99 99 GLN H H 8.285 0.004 1 387 99 99 GLN C C 176.001 0.000 1 388 99 99 GLN CA C 55.938 0.000 1 389 99 99 GLN N N 120.013 0.000 1 390 100 100 LEU H H 8.219 0.001 1 391 100 100 LEU HA H 4.330 0.005 1 392 100 100 LEU C C 177.962 0.002 1 393 100 100 LEU CA C 55.450 0.042 1 394 100 100 LEU N N 122.676 0.000 1 395 101 101 GLY H H 8.418 0.001 1 396 101 101 GLY C C 174.110 0.000 1 397 101 101 GLY N N 109.618 0.000 1 398 102 102 LYS H H 8.151 0.000 1 399 102 102 LYS C C 176.422 0.000 1 400 102 102 LYS CA C 56.268 0.000 1 401 102 102 LYS N N 120.660 0.000 1 402 103 103 ASN H H 8.555 0.002 1 403 103 103 ASN HA H 4.683 0.000 1 404 103 103 ASN C C 175.267 0.000 1 405 103 103 ASN CA C 53.464 0.049 1 406 103 103 ASN N N 119.932 0.000 1 407 104 104 GLU H H 8.431 0.001 1 408 104 104 GLU N N 121.312 0.000 1 409 105 105 GLU C C 176.997 0.000 1 410 106 106 GLY H H 8.364 0.001 1 411 106 106 GLY HA2 H 3.927 0.000 1 412 106 106 GLY HA3 H 3.927 0.000 1 413 106 106 GLY C C 173.451 0.001 1 414 106 106 GLY CA C 45.118 0.000 1 415 106 106 GLY N N 109.791 0.000 1 416 107 107 ALA H H 8.072 0.002 1 417 107 107 ALA N N 124.858 0.000 1 418 108 108 PRO HA H 4.432 0.005 1 419 108 108 PRO C C 177.085 0.002 1 420 108 108 PRO CA C 63.129 0.045 1 421 109 109 GLN H H 8.506 0.001 1 422 109 109 GLN C C 175.980 0.000 1 423 109 109 GLN CA C 55.821 0.000 1 424 109 109 GLN N N 120.912 0.000 1 425 110 110 GLU H H 8.447 0.002 1 426 110 110 GLU N N 122.193 0.000 1 427 111 111 GLY H H 8.379 0.000 1 428 111 111 GLY C C 173.822 0.000 1 429 111 111 GLY CA C 45.403 0.000 1 430 111 111 GLY N N 109.803 0.000 1 431 112 112 ILE H H 7.923 0.001 1 432 112 112 ILE HA H 4.173 0.009 1 433 112 112 ILE C C 176.214 0.031 1 434 112 112 ILE CA C 60.966 0.036 1 435 112 112 ILE N N 119.877 0.000 1 436 113 113 LEU H H 8.325 0.002 1 437 113 113 LEU HA H 4.391 0.003 1 438 113 113 LEU C C 177.115 0.001 1 439 113 113 LEU CA C 55.023 0.066 1 440 113 113 LEU N N 126.645 0.000 1 441 114 114 GLU H H 8.352 0.001 1 442 114 114 GLU C C 175.868 0.000 1 443 114 114 GLU CA C 56.525 0.000 1 444 115 115 ASP H H 8.294 0.004 1 445 115 115 ASP HA H 4.578 0.000 1 446 115 115 ASP C C 175.820 0.000 1 447 115 115 ASP CA C 54.253 0.035 1 448 115 115 ASP N N 121.184 0.000 1 449 116 116 MET H H 8.179 0.002 1 450 116 116 MET N N 121.778 0.000 1 451 117 117 PRO HA H 4.457 0.002 1 452 117 117 PRO C C 176.713 0.000 1 453 117 117 PRO CA C 62.951 0.029 1 454 118 118 VAL H H 8.195 0.001 1 455 118 118 VAL HA H 4.070 0.000 1 456 118 118 VAL C C 175.714 0.018 1 457 118 118 VAL N N 120.434 0.000 1 458 119 119 ASP H H 8.418 0.002 1 459 119 119 ASP N N 125.511 0.000 1 460 120 120 PRO HA H 4.342 0.001 1 461 120 120 PRO C C 176.909 0.026 1 462 120 120 PRO CA C 63.565 0.042 1 463 121 121 ASP H H 8.338 0.004 1 464 121 121 ASP HA H 4.642 0.000 1 465 121 121 ASP C C 176.178 0.000 1 466 121 121 ASP CA C 54.556 0.038 1 467 121 121 ASP N N 119.234 0.000 1 468 122 122 ASN H H 8.094 0.000 1 469 122 122 ASN HA H 4.677 0.000 1 470 122 122 ASN C C 175.367 0.000 1 471 122 122 ASN CA C 53.567 0.013 1 472 122 122 ASN N N 118.979 0.000 1 473 123 123 GLU H H 8.324 0.003 1 474 123 123 GLU HA H 4.208 0.000 1 475 123 123 GLU C C 176.062 0.002 1 476 123 123 GLU N N 121.527 0.000 1 477 124 124 ALA H H 8.161 0.001 1 478 124 124 ALA HA H 4.283 0.000 1 479 124 124 ALA C C 177.204 0.001 1 480 124 124 ALA CA C 52.425 0.000 1 481 124 124 ALA N N 124.249 0.000 1 482 125 125 TYR H H 7.958 0.001 1 483 125 125 TYR HA H 4.528 0.003 1 484 125 125 TYR C C 175.397 0.002 1 485 125 125 TYR CA C 57.691 0.027 1 486 125 125 TYR N N 119.607 0.000 1 487 126 126 GLU H H 8.099 0.001 1 488 126 126 GLU HA H 4.259 0.000 1 489 126 126 GLU C C 175.519 0.000 1 490 126 126 GLU CA C 55.748 0.069 1 491 126 126 GLU N N 123.270 0.000 1 492 127 127 MET H H 8.345 0.007 1 493 127 127 MET N N 123.526 0.000 1 494 128 128 PRO HA H 4.437 0.000 1 495 128 128 PRO C C 176.921 0.006 1 496 128 128 PRO CA C 63.123 0.039 1 497 129 129 SER H H 8.400 0.002 1 498 129 129 SER HA H 4.424 0.004 1 499 129 129 SER C C 174.808 0.002 1 500 129 129 SER CA C 58.306 0.015 1 501 129 129 SER N N 116.480 0.000 1 502 130 130 GLU H H 8.503 0.001 1 503 130 130 GLU C C 176.251 0.000 1 504 130 130 GLU N N 123.002 0.000 1 505 131 131 GLU H H 8.363 0.009 1 506 131 131 GLU C C 176.941 0.000 1 507 131 131 GLU N N 121.494 0.000 1 508 132 132 GLY H H 8.341 0.003 1 509 132 132 GLY C C 173.884 0.000 1 510 132 132 GLY CA C 45.283 0.000 1 511 132 132 GLY N N 109.737 0.000 1 512 133 133 TYR H H 8.017 0.018 1 513 133 133 TYR HA H 4.518 0.004 1 514 133 133 TYR C C 175.733 0.004 1 515 133 133 TYR CA C 58.064 0.037 1 516 133 133 TYR N N 120.167 0.000 1 517 134 134 GLN H H 8.189 0.001 1 518 134 134 GLN HA H 4.258 0.001 1 519 134 134 GLN C C 174.952 0.002 1 520 134 134 GLN CA C 55.534 0.042 1 521 134 134 GLN N N 122.431 0.000 1 522 135 135 ASP H H 8.194 0.002 1 523 135 135 ASP HA H 4.539 0.003 1 524 135 135 ASP C C 175.467 0.003 1 525 135 135 ASP CA C 54.227 0.022 1 526 135 135 ASP N N 121.523 0.000 1 527 136 136 TYR H H 7.990 0.002 1 528 136 136 TYR HA H 4.558 0.000 1 529 136 136 TYR C C 175.041 0.003 1 530 136 136 TYR CA C 57.581 0.032 1 531 136 136 TYR N N 120.436 0.000 1 532 137 137 GLU H H 8.178 0.002 1 533 137 137 GLU N N 125.104 0.000 1 534 138 138 PRO HA H 4.348 0.000 1 535 138 138 PRO C C 176.912 0.031 1 536 138 138 PRO CA C 62.980 0.044 1 537 139 139 GLU H H 8.449 0.001 1 538 139 139 GLU HA H 4.225 0.000 1 539 139 139 GLU C C 175.338 0.003 1 540 139 139 GLU CA C 56.606 0.000 1 541 139 139 GLU N N 121.370 0.000 1 542 140 140 ALA H H 7.912 0.001 1 543 140 140 ALA HA H 4.114 0.002 1 544 140 140 ALA C C 182.434 0.000 1 545 140 140 ALA CA C 53.759 0.000 1 546 140 140 ALA N N 130.689 0.000 1 stop_ save_