data_16904 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of human alpha-synuclein in viscous 2 M glucose solution ; _BMRB_accession_number 16904 _BMRB_flat_file_name bmr16904.str _Entry_type original _Submission_date 2010-04-28 _Accession_date 2010-04-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'assignment of intrinsically disordered human alpha-synuclein in viscous 2 M glucose solution' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Kuen-Phon . . 2 Baum Jean . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 134 "13C chemical shifts" 383 "15N chemical shifts" 135 "T2 relaxation values" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 update BMRB 'update entry citation' 2010-09-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16300 aSyn 16342 aSyn-pH3 16547 'aSyn E46K-pH6' 6968 aSyn-protonless 7244 gSyn stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone assignment and dynamics of human -synuclein in viscous 2M glucose solution.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20872101 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Kuen-Phon . . 2 Baum Jean . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 43 _Page_last 46 _Year 2011 _Details . loop_ _Keyword 'intrinsically disordered' Parkinson synuclein stop_ 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 . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . 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 available' _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 2015-10-07 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 1.13e-89 BMRB 16302 alpha-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 16342 human_a-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 16543 "monomer alpha-synuclein" 100.00 140 100.00 100.00 1.13e-89 BMRB 16546 A30P_alpha-synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 16547 E46K_alpha-synuclein 100.00 140 99.29 100.00 4.77e-89 BMRB 16548 A53T_alpha-synuclein 100.00 140 99.29 99.29 3.97e-89 BMRB 16939 WT_alpha-synuclein_fibrils 100.00 140 99.29 99.29 2.02e-88 BMRB 17214 A30P_alpha-synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 17498 alpha-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 17648 A30P_alpha-synuclein 100.00 140 98.57 98.57 2.16e-87 BMRB 17649 A53T_alpha-synuclein_fibrils 100.00 140 98.57 98.57 7.32e-88 BMRB 17654 E46K_alpha-synuclein_fibrils 100.00 140 98.57 99.29 8.52e-88 BMRB 17665 aSyn 100.00 150 100.00 100.00 5.06e-89 BMRB 17910 wild-type_alpha-synuclein_formed_in_phospholipid_vesicles 100.00 140 99.29 99.29 2.02e-88 BMRB 18207 A53T_alpha-synuclein_fibrils 100.00 140 98.57 98.57 7.32e-88 BMRB 18208 E46K_alpha-synuclein_fibrils 100.00 140 98.57 99.29 8.52e-88 BMRB 18243 alpha-synuclein_fibrils 100.00 140 99.29 99.29 2.02e-88 BMRB 18857 alpha_synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 18860 a-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 19257 Alpha-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 19337 aSyn 100.00 140 100.00 100.00 1.13e-89 BMRB 19338 aSyn_A53T 100.00 140 99.29 99.29 3.97e-89 BMRB 19344 aSyn_S87N 100.00 140 99.29 100.00 4.33e-89 BMRB 19345 aSyn_A53T&S87N 100.00 140 98.57 99.29 1.93e-88 BMRB 19350 acet_aSyn 100.00 140 100.00 100.00 1.13e-89 BMRB 19351 acet_aSyn_A53T 100.00 140 99.29 99.29 3.97e-89 BMRB 25227 aSyn-WT 100.00 140 100.00 100.00 1.13e-89 BMRB 25228 H50Q 100.00 140 99.29 99.29 1.71e-88 PDB 1XQ8 "Human Micelle-Bound Alpha-Synuclein" 100.00 140 100.00 100.00 1.13e-89 PDB 2KKW "Slas-Micelle Bound Alpha-Synuclein" 100.00 140 100.00 100.00 1.13e-89 DBJ BAB29375 "unnamed protein product [Mus musculus]" 72.86 122 97.06 99.02 2.54e-56 DBJ BAF82858 "unnamed protein product [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 DBJ BAG73790 "synuclein, alpha [synthetic construct]" 100.00 140 100.00 100.00 1.13e-89 EMBL CAG33339 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 EMBL CAG46454 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 GB AAA16117 "AD amyloid [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 GB AAC02114 "NACP/alpha-synuclein [Homo sapiens]" 100.00 140 98.57 98.57 5.63e-88 GB AAG30302 "SNCA isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 GB AAH13293 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 GB AAI08276 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 REF NP_000336 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 REF NP_001009158 "alpha-synuclein [Pan troglodytes]" 100.00 140 100.00 100.00 1.13e-89 REF NP_001032222 "alpha-synuclein [Sus scrofa]" 100.00 140 97.86 97.86 1.57e-86 REF NP_001129014 "alpha-synuclein [Pongo abelii]" 100.00 140 99.29 99.29 1.89e-88 REF NP_001139526 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-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 1.13e-89 SP P61139 "RecName: Full=Alpha-synuclein" 100.00 140 99.29 100.00 2.37e-89 SP P61140 "RecName: Full=Alpha-synuclein" 100.00 140 100.00 100.00 1.13e-89 SP P61142 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 100.00 3.29e-89 SP P61143 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 100.00 3.29e-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 _Variant _Vector_name $alpha-synuclein 'recombinant technology' . Escherichia coli BL21 DE3 p7-T7 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C-15N _Saveframe_category sample _Sample_type solution _Details 'used for triple resonance experiments' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $alpha-synuclein . mM 0.3 0.4 '[U-100% 13C; U-100% 15N]' H20 80 % . . 'natural abundance' D20 20 % . . 'natural abundance' glucose 2 M . . 'natural abundance' phosphate 10 mM . . 'natural abundance' NaCl 138 mM . . 'natural abundance' KCl 2 mM . . 'natural abundance' stop_ save_ save_15N _Saveframe_category sample _Sample_type solution _Details 'used for regular 15N-edited spectra and 15N dynamics' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $alpha-synuclein . mM 0.1 0.2 '[U-100% 15N]' H20 80 % . . 'natural abundance' D20 20 % . . 'natural abundance' glucose 2 M . . 'natural abundance' phosphate 10 mM . . 'natural abundance' NaCl 138 mM . . 'natural abundance' KCl 2 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.1 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details 'data acquisition' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _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 $15N save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C-15N save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C-15N save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C-15N save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $13C-15N save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_3D_HNN_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $13C-15N save_ save_T2_8 _Saveframe_category NMR_applied_experiment _Experiment_name T2 _Sample_label $15N save_ ####################### # Sample conditions # ####################### save_2_M_glucose_in_PBS _Saveframe_category sample_conditions _Details ; 2 M glucose 10 mM phosphate 138 mM NaCl 2 mM KCl ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.4 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _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 . 'separate tube (no insert) similar to the experimental sample tube' . 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_synuclein_glucose _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HN(CA)CO' '3D HNN' stop_ loop_ _Sample_label $15N $13C-15N stop_ _Sample_conditions_label $2_M_glucose_in_PBS _Chem_shift_reference_set_label $DSS _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 CA C 59.99 0.1 1 2 1 1 MET CB C 34.63 0.1 1 3 1 1 MET N N 119.8 0.07 1 4 2 2 ASP H H 8.65 0.02 1 5 2 2 ASP C C 176.35 0.07 1 6 2 2 ASP CA C 54.44 0.1 1 7 2 2 ASP CB C 41.58 0.1 1 8 2 2 ASP N N 125.2 0.07 1 9 3 3 VAL H H 8.20 0.02 1 10 3 3 VAL C C 176.24 0.07 1 11 3 3 VAL CA C 62.60 0.1 1 12 3 3 VAL CB C 32.85 0.1 1 13 3 3 VAL N N 120.3 0.07 1 14 4 4 PHE H H 8.17 0.02 1 15 4 4 PHE C C 175.67 0.07 1 16 4 4 PHE CB C 41.09 0.1 1 17 4 4 PHE N N 123.9 0.07 1 18 5 5 MET H H 8.18 0.02 1 19 5 5 MET CA C 55.43 0.1 1 20 5 5 MET CB C 32.70 0.1 1 21 5 5 MET N N 121.9 0.07 1 22 6 6 LYS H H 8.20 0.02 1 23 6 6 LYS C C 177.13 0.07 1 24 6 6 LYS CA C 56.86 0.1 1 25 6 6 LYS CB C 32.77 0.1 1 26 6 6 LYS N N 122.2 0.07 1 27 7 7 GLY H H 8.37 0.02 1 28 7 7 GLY C C 174.25 0.07 1 29 7 7 GLY CA C 45.44 0.1 1 30 7 7 GLY N N 109.8 0.07 1 31 8 8 LEU H H 8.27 0.02 1 32 8 8 LEU C C 177.57 0.07 1 33 8 8 LEU CA C 55.21 0.1 1 34 8 8 LEU CB C 42.51 0.1 1 35 8 8 LEU N N 121.5 0.07 1 36 9 9 SER H H 8.27 0.02 1 37 9 9 SER C C 174.53 0.07 1 38 9 9 SER CA C 58.40 0.1 1 39 9 9 SER CB C 63.69 0.1 1 40 9 9 SER N N 116.6 0.07 1 41 10 10 LYS H H 8.30 0.02 1 42 10 10 LYS C C 176.44 0.07 1 43 10 10 LYS CA C 56.35 0.1 1 44 10 10 LYS CB C 33.00 0.1 1 45 10 10 LYS N N 123.5 0.07 1 46 11 11 ALA H H 8.23 0.02 1 47 11 11 ALA C C 177.91 0.07 1 48 11 11 ALA CA C 52.84 0.1 1 49 11 11 ALA CB C 19.20 0.1 1 50 11 11 ALA N N 125.0 0.07 1 51 12 12 LYS H H 8.25 0.02 1 52 12 12 LYS C C 176.66 0.07 1 53 12 12 LYS CA C 56.43 0.1 1 54 12 12 LYS CB C 33.04 0.1 1 55 12 12 LYS N N 120.6 0.07 1 56 13 13 GLU H H 8.38 0.02 1 57 13 13 GLU C C 177.02 0.07 1 58 13 13 GLU CA C 56.82 0.1 1 59 13 13 GLU CB C 30.16 0.1 1 60 13 13 GLU N N 121.9 0.07 1 61 14 14 GLY H H 8.40 0.02 9 62 14 14 GLY C C 174.10 0.07 1 63 14 14 GLY CA C 45.43 0.1 1 64 14 14 GLY N N 110.0 0.07 9 65 15 15 VAL H H 7.91 0.02 1 66 15 15 VAL C C 176.47 0.07 1 67 15 15 VAL CA C 62.63 0.1 1 68 15 15 VAL CB C 32.71 0.1 1 69 15 15 VAL N N 120.1 0.07 1 70 16 16 VAL H H 8.21 0.02 1 71 16 16 VAL C C 176.02 0.07 1 72 16 16 VAL CA C 62.38 0.1 1 73 16 16 VAL CB C 32.92 0.1 1 74 16 16 VAL N N 124.8 0.07 1 75 17 17 ALA H H 8.37 0.02 1 76 17 17 ALA C C 177.69 0.07 1 77 17 17 ALA CA C 52.56 0.1 1 78 17 17 ALA CB C 19.31 0.1 1 79 17 17 ALA N N 128.0 0.07 1 80 18 18 ALA H H 8.25 0.02 1 81 18 18 ALA C C 177.73 0.07 1 82 18 18 ALA CA C 52.86 0.1 1 83 18 18 ALA CB C 18.94 0.1 1 84 18 18 ALA N N 123.4 0.07 1 85 19 19 ALA H H 8.21 0.02 1 86 19 19 ALA C C 178.27 0.07 1 87 19 19 ALA CA C 52.80 0.1 1 88 19 19 ALA CB C 19.07 0.1 1 89 19 19 ALA N N 122.7 0.07 1 90 20 20 GLU H H 8.25 0.02 1 91 20 20 GLU C C 176.96 0.07 1 92 20 20 GLU CA C 56.87 0.1 1 93 20 20 GLU CB C 29.72 0.1 1 94 20 20 GLU N N 119.8 0.07 1 95 21 21 LYS H H 8.23 0.02 1 96 21 21 LYS C C 177.18 0.07 1 97 21 21 LYS CA C 56.87 0.1 1 98 21 21 LYS CB C 32.77 0.1 1 99 21 21 LYS N N 121.9 0.07 1 100 22 22 THR H H 8.06 0.02 1 101 22 22 THR C C 174.7 0.07 1 102 22 22 THR CA C 62.26 0.1 1 103 22 22 THR CB C 69.74 0.1 1 104 22 22 THR N N 114.8 0.07 1 105 23 23 LYS H H 8.25 0.02 1 106 23 23 LYS C C 176.7 0.07 1 107 23 23 LYS CA C 56.66 0.1 1 108 23 23 LYS CB C 32.95 0.1 1 109 23 23 LYS N N 123.5 0.07 1 110 24 24 GLN H H 8.34 0.02 1 111 24 24 GLN C C 176.56 0.07 1 112 24 24 GLN CA C 56.27 0.1 1 113 24 24 GLN CB C 29.96 0.1 1 114 24 24 GLN N N 121.4 0.07 1 115 25 25 GLY H H 8.42 0.02 1 116 25 25 GLY C C 174.3 0.07 1 117 25 25 GLY CA C 45.49 0.1 1 118 25 25 GLY N N 110.4 0.07 1 119 26 26 VAL H H 7.95 0.02 1 120 26 26 VAL C C 176.33 0.07 1 121 26 26 VAL CA C 62.51 0.1 1 122 26 26 VAL CB C 32.92 0.1 1 123 26 26 VAL N N 119.7 0.07 1 124 27 27 ALA H H 8.36 0.02 1 125 27 27 ALA C C 178.13 0.07 1 126 27 27 ALA CA C 52.93 0.1 1 127 27 27 ALA CB C 19.38 0.1 1 128 27 27 ALA N N 127.2 0.07 1 129 28 28 GLU H H 8.34 0.02 1 130 28 28 GLU C C 176.65 0.07 1 131 28 28 GLU CA C 56.65 0.1 1 132 28 28 GLU CB C 29.67 0.1 1 133 28 28 GLU N N 120.3 0.07 1 134 29 29 ALA H H 8.22 0.02 1 135 29 29 ALA C C 177.68 0.07 1 136 29 29 ALA CA C 52.70 0.1 1 137 29 29 ALA CB C 19.25 0.1 1 138 29 29 ALA N N 124.6 0.07 1 139 30 30 ALA H H 8.17 0.02 1 140 30 30 ALA C C 178.39 0.07 1 141 30 30 ALA CA C 52.85 0.1 1 142 30 30 ALA CB C 19.17 0.1 1 143 30 30 ALA N N 122.6 0.07 1 144 31 31 GLY H H 8.25 0.02 1 145 31 31 GLY C C 174.17 0.07 1 146 31 31 GLY CA C 45.42 0.1 1 147 31 31 GLY N N 107.7 0.07 1 148 32 32 LYS H H 8.04 0.02 1 149 32 32 LYS C C 176.92 0.07 1 150 32 32 LYS CA C 56.27 0.1 1 151 32 32 LYS CB C 33.30 0.1 1 152 32 32 LYS N N 120.6 0.07 1 153 33 33 THR H H 8.19 0.02 1 154 33 33 THR C C 174.6 0.07 1 155 33 33 THR CA C 61.83 0.1 1 156 33 33 THR CB C 70.00 0.1 1 157 33 33 THR N N 115.3 0.07 1 158 34 34 LYS H H 8.38 0.02 1 159 34 34 LYS C C 176.45 0.07 1 160 34 34 LYS CA C 56.60 0.1 1 161 34 34 LYS CB C 32.86 0.1 1 162 34 34 LYS N N 123.6 0.07 1 163 35 35 GLU H H 8.38 0.02 9 164 35 35 GLU C C 176.29 0.07 1 165 35 35 GLU CA C 56.82 0.1 1 166 35 35 GLU CB C 30.27 0.1 1 167 35 35 GLU N N 121.8 0.07 9 168 36 36 GLY H H 8.38 0.02 9 169 36 36 GLY C C 173.97 0.07 1 170 36 36 GLY CA C 45.34 0.1 1 171 36 36 GLY N N 109.9 0.07 9 172 37 37 VAL H H 7.83 0.02 1 173 37 37 VAL C C 175.76 0.07 1 174 37 37 VAL CA C 62.16 0.1 1 175 37 37 VAL CB C 33.00 0.1 1 176 37 37 VAL N N 119.5 0.07 1 177 38 38 LEU H H 8.23 0.02 1 178 38 38 LEU C C 176.51 0.07 1 179 38 38 LEU CA C 54.92 0.1 1 180 38 38 LEU CB C 42.64 0.1 1 181 38 38 LEU N N 125.7 0.07 1 182 39 39 TYR H H 8.23 0.02 1 183 39 39 TYR C C 177.55 0.07 1 184 39 39 TYR CA C 57.80 0.1 1 185 39 39 TYR CB C 38.88 0.1 1 186 39 39 TYR N N 122.3 0.07 1 187 40 40 VAL H H 8.06 0.02 1 188 40 40 VAL C C 176.12 0.07 1 189 40 40 VAL CA C 62.15 0.1 1 190 40 40 VAL CB C 32.87 0.1 1 191 40 40 VAL N N 122.8 0.07 1 192 41 41 GLY H H 8.04 0.02 1 193 41 41 GLY C C 173.96 0.07 1 194 41 41 GLY CA C 45.31 0.1 1 195 41 41 GLY N N 112.1 0.07 1 196 42 42 SER H H 8.21 0.02 1 197 42 42 SER C C 174.66 0.07 1 198 42 42 SER CA C 58.36 0.1 1 199 42 42 SER CB C 63.86 0.1 1 200 42 42 SER N N 115.6 0.07 1 201 43 43 LYS H H 8.42 0.02 1 202 43 43 LYS C C 176.80 0.07 1 203 43 43 LYS CA C 56.45 0.1 1 204 43 43 LYS CB C 33.07 0.1 1 205 43 43 LYS N N 123.3 0.07 1 206 44 44 THR H H 8.13 0.02 1 207 44 44 THR C C 174.66 0.07 1 208 44 44 THR CA C 62.05 0.1 1 209 44 44 THR CB C 70.06 0.1 1 210 44 44 THR N N 115.2 0.07 1 211 45 45 LYS H H 8.43 0.02 1 212 45 45 LYS C C 176.41 0.07 1 213 45 45 LYS CA C 56.50 0.1 1 214 45 45 LYS CB C 33.14 0.1 1 215 45 45 LYS N N 123.7 0.07 1 216 46 46 GLU H H 8.25 0.02 1 217 46 46 GLU C C 176.3 0.07 1 218 46 46 GLU CA C 56.91 0.1 1 219 46 46 GLU CB C 30.88 0.1 1 220 46 46 GLU N N 126.2 0.07 1 221 47 47 GLY H H 8.38 0.02 9 222 47 47 GLY C C 173.85 0.07 1 223 47 47 GLY CA C 45.19 0.1 1 224 47 47 GLY N N 109.9 0.07 9 225 48 48 VAL H H 7.84 0.02 1 226 48 48 VAL C C 176.65 0.07 1 227 48 48 VAL CA C 62.23 0.1 1 228 48 48 VAL CB C 32.85 0.1 1 229 48 48 VAL N N 119.8 0.07 1 230 49 49 VAL H H 8.24 0.02 1 231 49 49 VAL C C 175.81 0.07 1 232 49 49 VAL CA C 62.22 0.1 1 233 49 49 VAL CB C 34.08 0.1 1 234 49 49 VAL N N 124.8 0.07 1 235 50 50 HIS H H 8.54 0.02 1 236 50 50 HIS C C 175.11 0.07 1 237 50 50 HIS CA C 55.47 0.1 1 238 50 50 HIS CB C 29.11 0.1 1 239 50 50 HIS N N 123.7 0.07 1 240 51 51 GLY H H 8.40 0.02 1 241 51 51 GLY C C 173.72 0.07 1 242 51 51 GLY CA C 45.19 0.1 1 243 51 51 GLY N N 110.4 0.07 1 244 52 52 VAL H H 8.01 0.02 1 245 52 52 VAL C C 175.81 0.07 1 246 52 52 VAL CA C 62.04 0.1 1 247 52 52 VAL CB C 32.95 0.1 1 248 52 52 VAL N N 119.4 0.07 1 249 53 53 ALA H H 8.44 0.02 1 250 53 53 ALA C C 177.74 0.07 1 251 53 53 ALA CA C 52.49 0.1 1 252 53 53 ALA CB C 19.48 0.1 1 253 53 53 ALA N N 128.1 0.07 1 254 54 54 THR H H 8.16 0.02 1 255 54 54 THR C C 174.48 0.07 1 256 54 54 THR CA C 61.78 0.1 1 257 54 54 THR CB C 69.96 0.1 1 258 54 54 THR N N 114.6 0.07 1 259 55 55 VAL H H 8.16 0.02 1 260 55 55 VAL C C 175.83 0.07 1 261 55 55 VAL CA C 62.23 0.1 1 262 55 55 VAL CB C 32.71 0.1 1 263 55 55 VAL N N 122.8 0.07 1 264 56 56 ALA H H 8.36 0.02 1 265 56 56 ALA C C 177.76 0.07 1 266 56 56 ALA CA C 52.48 0.1 1 267 56 56 ALA CB C 19.31 0.1 1 268 56 56 ALA N N 127.8 0.07 1 269 57 57 GLU H H 8.30 0.02 1 270 57 57 GLU C C 176.68 0.07 1 271 57 57 GLU CA C 56.65 0.1 1 272 57 57 GLU CB C 30.32 0.1 1 273 57 57 GLU N N 120.6 0.07 1 274 58 58 LYS H H 8.35 0.02 1 275 58 58 LYS C C 176.94 0.07 1 276 58 58 LYS CA C 56.43 0.1 1 277 58 58 LYS CB C 33.14 0.1 1 278 58 58 LYS N N 122.5 0.07 1 279 59 59 THR H H 8.14 0.02 1 280 59 59 THR C C 174.61 0.07 1 281 59 59 THR CA C 61.93 0.1 1 282 59 59 THR CB C 69.97 0.1 1 283 59 59 THR N N 115.5 0.07 1 284 60 60 LYS H H 8.29 0.02 1 285 60 60 LYS C C 176.64 0.07 1 286 60 60 LYS CA C 56.35 0.1 1 287 60 60 LYS CB C 32.97 0.1 1 288 60 60 LYS N N 123.4 0.07 1 289 61 61 GLU H H 8.36 0.02 9 290 61 61 GLU C C 176.37 0.07 1 291 61 61 GLU CA C 56.70 0.1 9 292 61 61 GLU CB C 30.27 0.1 9 293 61 61 GLU N N 121.7 0.07 9 294 62 62 GLN H H 8.33 0.02 1 295 62 62 GLN C C 175.91 0.07 1 296 62 62 GLN N N 121.5 0.07 9 297 63 63 VAL H H 8.23 0.02 1 298 63 63 VAL C C 176.26 0.07 1 299 63 63 VAL CA C 62.38 0.1 1 300 63 63 VAL CB C 32.77 0.1 1 301 63 63 VAL N N 121.8 0.07 1 302 64 64 THR H H 8.24 0.02 1 303 64 64 THR C C 174.0 0.07 1 304 64 64 THR CA C 61.90 0.1 1 305 64 64 THR CB C 70.02 0.1 1 306 64 64 THR N N 117.8 0.07 1 307 65 65 ASN H H 8.45 0.02 1 308 65 65 ASN CA C 53.15 0.1 1 309 65 65 ASN CB C 38.93 0.1 1 310 65 65 ASN N N 121.7 0.07 1 311 66 66 VAL H H 8.17 0.02 1 312 66 66 VAL C C 176.76 0.07 1 313 66 66 VAL CA C 62.56 0.1 1 314 66 66 VAL CB C 32.57 0.1 1 315 66 66 VAL N N 120.4 0.07 1 316 67 67 GLY H H 8.49 0.02 1 317 67 67 GLY C C 174.64 0.07 1 318 67 67 GLY CA C 45.40 0.1 1 319 67 67 GLY N N 112.6 0.07 1 320 68 68 GLY H H 8.19 0.02 1 321 68 68 GLY C C 173.7 0.07 1 322 68 68 GLY CA C 45.15 0.1 1 323 68 68 GLY N N 108.9 0.07 1 324 69 69 ALA H H 8.10 0.02 1 325 69 69 ALA C C 177.55 0.07 1 326 69 69 ALA CA C 52.30 0.1 1 327 69 69 ALA CB C 19.45 0.1 1 328 69 69 ALA N N 123.8 0.07 1 329 70 70 VAL H H 8.15 0.02 1 330 70 70 VAL C C 176.23 0.07 1 331 70 70 VAL CA C 62.36 0.1 1 332 70 70 VAL CB C 32.64 0.1 1 333 70 70 VAL N N 120.3 0.07 1 334 71 71 VAL H H 8.32 0.02 1 335 71 71 VAL C C 176.17 0.07 1 336 71 71 VAL CA C 62.18 0.1 1 337 71 71 VAL CB C 32.86 0.1 1 338 71 71 VAL N N 125.2 0.07 1 339 72 72 THR H H 8.24 0.02 1 340 72 72 THR C C 174.84 0.07 1 341 72 72 THR CA C 61.86 0.1 1 342 72 72 THR CB C 69.86 0.1 1 343 72 72 THR N N 118.3 0.07 1 344 73 73 GLY H H 8.38 0.02 1 345 73 73 GLY C C 174.02 0.07 1 346 73 73 GLY CA C 45.27 0.1 1 347 73 73 GLY N N 111.2 0.07 1 348 74 74 VAL H H 8.02 0.02 1 349 74 74 VAL C C 176.46 0.07 1 350 74 74 VAL CA C 62.25 0.1 1 351 74 74 VAL CB C 32.91 0.1 1 352 74 74 VAL N N 119.4 0.07 1 353 75 75 THR H H 8.23 0.02 1 354 75 75 THR C C 174.04 0.07 1 355 75 75 THR CA C 61.92 0.1 1 356 75 75 THR CB C 69.86 0.1 1 357 75 75 THR N N 118.6 0.07 1 358 76 76 ALA H H 8.29 0.02 1 359 76 76 ALA C C 177.53 0.07 1 360 76 76 ALA CA C 52.63 0.1 1 361 76 76 ALA CB C 19.38 0.1 1 362 76 76 ALA N N 127.1 0.07 1 363 77 77 VAL H H 8.06 0.02 1 364 77 77 VAL C C 175.97 0.07 1 365 77 77 VAL CA C 62.23 0.1 1 366 77 77 VAL CB C 32.85 0.1 1 367 77 77 VAL N N 119.7 0.07 1 368 78 78 ALA H H 8.33 0.02 1 369 78 78 ALA C C 178.13 0.07 1 370 78 78 ALA CA C 53.01 0.1 1 371 78 78 ALA CB C 19.09 0.1 1 372 78 78 ALA N N 127.8 0.07 1 373 79 79 GLN H H 8.30 0.02 1 374 79 79 GLN C C 175.89 0.07 1 375 79 79 GLN CA C 55.92 0.1 1 376 79 79 GLN CB C 29.68 0.1 1 377 79 79 GLN N N 120.1 0.07 1 378 80 80 LYS H H 8.35 0.02 1 379 80 80 LYS C C 176.62 0.07 1 380 80 80 LYS CA C 56.43 0.1 1 381 80 80 LYS CB C 33.05 0.1 1 382 80 80 LYS N N 122.9 0.07 1 383 81 81 THR H H 8.22 0.02 1 384 81 81 THR C C 174.41 0.07 1 385 81 81 THR CA C 61.87 0.1 1 386 81 81 THR CB C 69.89 0.1 1 387 81 81 THR N N 116.6 0.07 1 388 82 82 VAL H H 8.22 0.02 1 389 82 82 VAL C C 176.06 0.07 1 390 82 82 VAL CA C 62.34 0.1 1 391 82 82 VAL CB C 32.87 0.1 1 392 82 82 VAL N N 122.8 0.07 1 393 83 83 GLU H H 8.50 0.02 1 394 83 83 GLU C C 176.95 0.07 1 395 83 83 GLU CA C 56.87 0.1 1 396 83 83 GLU CB C 30.24 0.1 1 397 83 83 GLU N N 125.0 0.07 1 398 84 84 GLY H H 8.44 0.02 1 399 84 84 GLY C C 174.13 0.07 1 400 84 84 GLY CA C 45.35 0.1 1 401 84 84 GLY N N 110.6 0.07 1 402 85 85 ALA H H 8.20 0.02 1 403 85 85 ALA C C 178.41 0.07 1 404 85 85 ALA CA C 52.89 0.1 1 405 85 85 ALA CB C 19.29 0.1 1 406 85 85 ALA N N 123.9 0.07 1 407 86 86 GLY H H 8.44 0.02 1 408 86 86 GLY C C 174.29 0.07 1 409 86 86 GLY CA C 45.39 0.1 1 410 86 86 GLY N N 108.2 0.07 1 411 87 87 SER H H 8.10 0.02 1 412 87 87 SER C C 174.67 0.07 1 413 87 87 SER CA C 58.33 0.1 1 414 87 87 SER CB C 63.90 0.1 1 415 87 87 SER N N 115.7 0.07 1 416 88 88 ILE H H 8.14 0.02 1 417 88 88 ILE C C 176.23 0.07 1 418 88 88 ILE CA C 61.38 0.1 1 419 88 88 ILE CB C 38.69 0.1 1 420 88 88 ILE N N 122.6 0.07 1 421 89 89 ALA H H 8.29 0.02 1 422 89 89 ALA C C 177.55 0.07 1 423 89 89 ALA CA C 52.67 0.1 1 424 89 89 ALA CB C 19.13 0.1 1 425 89 89 ALA N N 127.8 0.07 1 426 90 90 ALA H H 8.13 0.02 1 427 90 90 ALA C C 177.70 0.07 1 428 90 90 ALA CA C 52.53 0.1 1 429 90 90 ALA CB C 19.25 0.1 1 430 90 90 ALA N N 123.1 0.07 1 431 91 91 ALA H H 8.21 0.02 1 432 91 91 ALA C C 178.05 0.07 1 433 91 91 ALA CA C 52.65 0.1 1 434 91 91 ALA CB C 19.20 0.1 1 435 91 91 ALA N N 123.2 0.07 1 436 92 92 THR H H 8.02 0.02 1 437 92 92 THR C C 175.08 0.07 1 438 92 92 THR CA C 61.93 0.1 1 439 92 92 THR CB C 69.88 0.1 1 440 92 92 THR N N 112.3 0.07 1 441 93 93 GLY H H 8.24 0.02 1 442 93 93 GLY C C 173.60 0.07 1 443 93 93 GLY CA C 45.29 0.1 1 444 93 93 GLY N N 110.7 0.07 1 445 94 94 PHE H H 8.04 0.02 1 446 94 94 PHE C C 175.39 0.07 1 447 94 94 PHE CA C 57.78 0.1 1 448 94 94 PHE CB C 39.68 0.1 1 449 94 94 PHE N N 120.3 0.07 1 450 95 95 VAL H H 8.01 0.02 1 451 95 95 VAL C C 175.34 0.07 1 452 95 95 VAL CA C 61.92 0.1 1 453 95 95 VAL CB C 33.15 0.1 1 454 95 95 VAL N N 123.5 0.07 1 455 96 96 LYS H H 8.33 0.02 1 456 96 96 LYS C C 176.44 0.07 1 457 96 96 LYS CA C 56.39 0.1 1 458 96 96 LYS CB C 33.14 0.1 1 459 96 96 LYS N N 126.3 0.07 1 460 97 97 LYS H H 8.41 0.02 1 461 97 97 LYS C C 176.35 0.07 1 462 97 97 LYS CA C 56.58 0.1 1 463 97 97 LYS CB C 32.98 0.1 1 464 97 97 LYS N N 123.6 0.07 1 465 98 98 ASP H H 8.35 0.02 1 466 98 98 ASP C C 176.16 0.07 1 467 98 98 ASP CA C 54.43 0.1 1 468 98 98 ASP CB C 41.05 0.1 1 469 98 98 ASP N N 120.9 0.07 1 470 99 99 GLN H H 8.26 0.02 1 471 99 99 GLN C C 175.93 0.07 1 472 99 99 GLN CA C 55.78 0.1 1 473 99 99 GLN CB C 29.65 0.1 1 474 99 99 GLN N N 119.9 0.07 1 475 100 100 LEU H H 8.23 0.02 1 476 100 100 LEU C C 177.91 0.07 1 477 100 100 LEU CA C 55.29 0.1 1 478 100 100 LEU CB C 42.16 0.1 1 479 100 100 LEU N N 122.7 0.07 1 480 101 101 GLY H H 8.43 0.02 1 481 101 101 GLY C C 174.06 0.07 1 482 101 101 GLY CA C 45.35 0.1 1 483 101 101 GLY N N 109.8 0.07 1 484 102 102 LYS H H 8.15 0.02 1 485 102 102 LYS C C 176.40 0.07 1 486 102 102 LYS CA C 56.17 0.1 1 487 102 102 LYS CB C 33.19 0.1 1 488 102 102 LYS N N 120.7 0.07 1 489 103 103 ASN H H 8.56 0.02 1 490 103 103 ASN CA C 53.38 0.1 1 491 103 103 ASN CB C 38.81 0.1 1 492 103 103 ASN N N 119.9 0.07 1 493 104 104 GLU H H 8.41 0.02 1 494 104 104 GLU C C 176.45 0.07 1 495 104 104 GLU CA C 56.64 0.1 1 496 104 104 GLU CB C 30.21 0.1 1 497 104 104 GLU N N 121.3 0.07 1 498 105 105 GLU H H 8.40 0.02 1 499 105 105 GLU C C 176.93 0.07 1 500 105 105 GLU CA C 56.58 0.1 1 501 105 105 GLU CB C 30.27 0.1 1 502 105 105 GLU N N 121.8 0.07 1 503 106 106 GLY H H 8.37 0.02 1 504 106 106 GLY C C 173.4 0.07 1 505 106 106 GLY CA C 45.05 0.1 1 506 106 106 GLY N N 110.2 0.07 1 507 107 107 ALA H H 8.07 0.02 1 508 107 107 ALA C C 175.49 0.07 1 509 107 107 ALA CA C 50.49 0.1 1 510 107 107 ALA CB C 18.37 0.1 1 511 107 107 ALA N N 124.9 0.07 1 512 108 108 PRO CA C 63.10 0.1 1 513 108 108 PRO CB C 32.12 0.1 1 514 109 109 GLN H H 8.51 0.02 1 515 109 109 GLN C C 175.89 0.07 1 516 109 109 GLN CA C 55.81 0.1 1 517 109 109 GLN CB C 29.70 0.1 1 518 109 109 GLN N N 121.1 0.07 1 519 110 110 GLU H H 8.45 0.02 1 520 110 110 GLU C C 176.75 0.07 1 521 110 110 GLU CA C 56.58 0.1 1 522 110 110 GLU CB C 30.54 0.1 1 523 110 110 GLU N N 122.3 0.07 1 524 111 111 GLY H H 8.42 0.02 1 525 111 111 GLY C C 173.74 0.07 1 526 111 111 GLY CA C 45.27 0.1 1 527 111 111 GLY N N 110.2 0.07 1 528 112 112 ILE H H 7.94 0.02 1 529 112 112 ILE C C 176.16 0.07 1 530 112 112 ILE CA C 60.90 0.1 1 531 112 112 ILE CB C 38.71 0.1 1 532 112 112 ILE N N 120.1 0.07 1 533 113 113 LEU H H 8.35 0.02 1 534 113 113 LEU C C 177.03 0.07 1 535 113 113 LEU CA C 54.98 0.1 1 536 113 113 LEU CB C 42.39 0.1 1 537 113 113 LEU N N 126.9 0.07 1 538 114 114 GLU H H 8.37 0.02 1 539 114 114 GLU C C 175.80 0.07 1 540 114 114 GLU CA C 56.45 0.1 1 541 114 114 GLU CB C 30.47 0.1 1 542 114 114 GLU N N 122.1 0.07 1 543 115 115 ASP H H 8.30 0.02 1 544 115 115 ASP C C 174.89 0.07 1 545 115 115 ASP CA C 54.18 0.1 1 546 115 115 ASP CB C 41.13 0.1 1 547 115 115 ASP N N 121.2 0.07 1 548 116 116 MET H H 8.18 0.02 1 549 116 116 MET CB C 32.54 0.1 1 550 116 116 MET N N 121.7 0.07 1 551 117 117 PRO CA C 62.76 0.1 1 552 117 117 PRO CB C 32.19 0.1 1 553 118 118 VAL H H 8.21 0.02 1 554 118 118 VAL C C 175.64 0.07 1 555 118 118 VAL CA C 61.89 0.1 1 556 118 118 VAL CB C 33.01 0.1 1 557 118 118 VAL N N 120.6 0.07 1 558 119 119 ASP H H 8.45 0.02 1 559 119 119 ASP C C 174.58 0.07 1 560 119 119 ASP CA C 52.09 0.1 1 561 119 119 ASP CB C 41.12 0.1 1 562 119 119 ASP N N 125.6 0.07 1 563 120 120 PRO CA C 63.28 0.1 1 564 120 120 PRO CB C 32.30 0.1 1 565 121 121 ASP H H 8.33 0.02 1 566 121 121 ASP C C 176.09 0.07 1 567 121 121 ASP CA C 54.51 0.1 1 568 121 121 ASP CB C 40.98 0.1 1 569 121 121 ASP N N 119.2 0.07 1 570 122 122 ASN H H 8.06 0.02 1 571 122 122 ASN CA C 53.45 0.1 1 572 122 122 ASN CB C 39.41 0.1 1 573 122 122 ASN N N 119.1 0.07 1 574 123 123 GLU H H 8.33 0.02 1 575 123 123 GLU C C 175.99 0.07 1 576 123 123 GLU CA C 56.73 0.1 1 577 123 123 GLU CB C 29.98 0.1 1 578 123 123 GLU N N 121.7 0.07 1 579 124 124 ALA H H 8.17 0.02 1 580 124 124 ALA C C 177.13 0.07 1 581 124 124 ALA CB C 19.24 0.1 1 582 124 124 ALA N N 124.3 0.07 1 583 125 125 TYR H H 7.96 0.02 1 584 125 125 TYR C C 175.28 0.07 1 585 125 125 TYR CA C 57.66 0.1 1 586 125 125 TYR CB C 38.98 0.1 1 587 125 125 TYR N N 119.9 0.07 1 588 126 126 GLU H H 8.08 0.02 1 589 126 126 GLU C C 175.38 0.07 1 590 126 126 GLU CA C 55.63 0.1 1 591 126 126 GLU CB C 30.69 0.1 1 592 126 126 GLU N N 123.6 0.07 1 593 127 127 MET H H 8.35 0.02 1 594 127 127 MET CA C 53.24 0.1 1 595 127 127 MET CB C 32.38 0.1 1 596 127 127 MET N N 123.8 0.07 1 597 128 128 PRO CA C 62.96 0.1 1 598 128 128 PRO CB C 32.21 0.1 1 599 129 129 SER H H 8.42 0.02 1 600 129 129 SER CA C 58.18 0.1 1 601 129 129 SER CB C 63.90 0.1 1 602 129 129 SER N N 116.7 0.07 1 603 130 130 GLU H H 8.51 0.02 1 604 130 130 GLU C C 176.41 0.07 1 605 130 130 GLU CA C 56.51 0.1 1 606 130 130 GLU CB C 30.23 0.1 1 607 130 130 GLU N N 123.0 0.07 1 608 131 131 GLU H H 8.40 0.02 1 609 131 131 GLU C C 176.88 0.07 1 610 131 131 GLU CA C 56.82 0.1 1 611 131 131 GLU CB C 30.17 0.1 1 612 131 131 GLU N N 121.7 0.07 1 613 132 132 GLY H H 8.35 0.02 1 614 132 132 GLY CA C 45.19 0.1 1 615 132 132 GLY N N 109.9 0.07 1 616 133 133 TYR H H 8.00 0.02 1 617 133 133 TYR C C 175.66 0.07 1 618 133 133 TYR CA C 57.92 0.1 1 619 133 133 TYR CB C 39.17 0.1 1 620 133 133 TYR N N 120.3 0.07 1 621 134 134 GLN H H 8.20 0.02 1 622 134 134 GLN C C 175.91 0.07 1 623 134 134 GLN CA C 55.83 0.1 1 624 134 134 GLN CB C 29.17 0.1 1 625 134 134 GLN N N 122.6 0.07 1 626 135 135 ASP H H 8.21 0.02 1 627 135 135 ASP C C 175.39 0.07 1 628 135 135 ASP CA C 54.19 0.1 1 629 135 135 ASP CB C 41.09 0.1 1 630 135 135 ASP N N 121.6 0.07 1 631 136 136 TYR H H 7.98 0.02 1 632 136 136 TYR C C 174.96 0.07 1 633 136 136 TYR CA C 57.51 0.1 1 634 136 136 TYR CB C 39.10 0.1 1 635 136 136 TYR N N 120.4 0.07 1 636 137 137 GLU H H 8.19 0.02 1 637 137 137 GLU C C 173.64 0.07 1 638 137 137 GLU CA C 53.45 0.1 1 639 137 137 GLU CB C 30.26 0.1 1 640 137 137 GLU N N 125.2 0.07 1 641 138 138 PRO CA C 62.93 0.1 1 642 138 138 PRO CB C 32.26 0.1 1 643 139 139 GLU H H 8.46 0.02 1 644 139 139 GLU C C 175.34 0.07 1 645 139 139 GLU CA C 56.49 0.1 1 646 139 139 GLU CB C 30.23 0.1 1 647 139 139 GLU N N 121.4 0.07 1 648 140 140 ALA H H 7.95 0.02 1 649 140 140 ALA C C 172.54 0.07 1 650 140 140 ALA CA C 53.78 0.1 1 651 140 140 ALA CB C 20.37 0.1 1 652 140 140 ALA N N 130.7 0.07 1 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $SPARKY stop_ loop_ _Sample_label $15N $15N stop_ _Sample_conditions_label $2_M_glucose_in_PBS _Spectrometer_frequency_1H 800 _T2_coherence_type Nz _T2_value_units ms _Mol_system_component_name alpha-synuclein _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 ASP N 179.1 3.99 . . 2 3 VAL N 157.7 3.71 . . 3 5 MET N 119.2 0.569 . . 4 6 LYS N 116.7 1.74 . . 5 7 GLY N 117.7 2.11 . . 6 8 LEU N 126.3 0.9 . . 7 9 SER N 126.1 1.13 . . 8 10 LYS N 107.2 1.32 . . 9 11 ALA N 124.8 4.37 . . 10 12 LYS N 110.3 2.1 . . 11 13 GLU N 115.4 0.346 . . 12 14 GLY N 128.7 1.37 . . 13 15 VAL N 121.0 0.503 . . 14 16 VAL N 118.6 2.14 . . 15 17 ALA N 92.24 1.99 . . 16 18 ALA N 117.8 1.79 . . 17 19 ALA N 132.1 1.16 . . 18 20 GLU N 93.82 5.5 . . 19 21 LYS N 108.3 2.51 . . 20 22 THR N 104.2 0.725 . . 21 23 LYS N 105.5 2.03 . . 22 24 GLN N 109.8 1.09 . . 23 25 GLY N 114.5 3.36 . . 24 26 VAL N 109.7 0.57 . . 25 27 ALA N 100.8 0.478 . . 26 28 GLU N 109.2 1.24 . . 27 29 ALA N 110.9 2.16 . . 28 30 ALA N 129.8 0.28 . . 29 31 GLY N 120 1.29 . . 30 32 LYS N 109.9 0.54 . . 31 33 THR N 110.7 0.46 . . 32 34 LYS N 108.5 1.31 . . 33 35 GLU N 115.1 0.46 . . 34 36 GLY N 113 0.97 . . 35 37 VAL N 99.73 0.80 . . 36 38 LEU N 96.99 2.74 . . 37 39 TYR N 96.48 0.94 . . 38 40 VAL N 92.75 1.34 . . 39 41 GLY N 96.08 0.91 . . 40 42 SER N 104.3 3.13 . . 41 43 LYS N 100.8 1.57 . . 42 44 THR N 106.2 0.38 . . 43 45 LYS N 108.7 1.34 . . 44 48 VAL N 118.2 0.79 . . 45 49 VAL N 115.2 2.1 . . 46 50 HIS N 91.17 2.25 . . 47 51 GLY N 106.1 3.2 . . 48 52 VAL N 127.4 0.77 . . 49 53 ALA N 122.2 1.14 . . 50 54 THR N 128.8 1.55 . . 51 55 VAL N 127.2 0.69 . . 52 56 ALA N 112.4 0.77 . . 53 57 GLU N 117.2 1.23 . . 54 58 LYS N 110.5 0.52 . . 55 59 THR N 113.2 2.53 . . 56 60 LYS N 118.6 3.53 . . 57 61 GLU N 110.3 0.78 . . 58 64 THR N 123.4 0.95 . . 59 65 ASN N 125.8 2.58 . . 60 66 VAL N 162 0.34 . . 61 67 GLY N 155.6 0.65 . . 62 68 GLY N 180.8 0.90 . . 63 69 ALA N 162.4 0.93 . . 64 70 VAL N 172.2 1.69 . . 65 71 VAL N 163.7 1.66 . . 66 72 THR N 144.1 0.58 . . 67 73 GLY N 143.2 2.87 . . 68 74 VAL N 144.1 0.64 . . 69 75 THR N 133.2 1.55 . . 70 76 ALA N 143.5 2.49 . . 71 77 VAL N 141.8 1.87 . . 72 78 ALA N 130.6 0.57 . . 73 79 GLN N 128.7 2.92 . . 74 80 LYS N 131.9 0.86 . . 75 81 THR N 136.7 0.88 . . 76 82 VAL N 135.6 1.09 . . 77 83 GLU N 148.2 1.92 . . 78 84 GLY N 150.8 1.49 . . 79 85 ALA N 159.6 0.99 . . 80 86 GLY N 174.3 2.88 . . 81 87 SER N 155.6 0.97 . . 82 88 ILE N 145.5 0.69 . . 83 89 ALA N 140.2 1.76 . . 84 90 ALA N 157.6 0.78 . . 85 91 ALA N 159.4 1.49 . . 86 92 THR N 139.6 1.53 . . 87 93 GLY N 132.8 1.95 . . 88 94 PHE N 129.5 0.59 . . 89 95 VAL N 125.2 0.61 . . 90 96 LYS N 119 0.87 . . 91 97 LYS N 109.8 0.38 . . 92 98 ASP N 109.9 0.90 . . 93 99 GLN N 113.1 0.60 . . 94 100 LEU N 130.8 1.46 . . 95 101 GLY N 136.8 1.95 . . 96 102 LYS N 129.1 1.43 . . 97 103 ASN N 125.2 0.48 . . 98 104 GLU N 135.1 1.48 . . 99 105 GLU N 125.6 0.42 . . 100 106 GLY N 149.1 1.35 . . 101 107 ALA N 148.1 1.73 . . 102 109 GLN N 143.8 1.19 . . 103 110 GLU N 142.8 0.62 . . 104 111 GLY N 135.2 1.61 . . 105 112 ILE N 130.6 0.37 . . 106 113 LEU N 121.7 0.68 . . 107 114 GLU N 127.7 1.65 . . 108 115 ASP N 125.2 2.88 . . 109 116 MET N 125.6 2.68 . . 110 118 VAL N 114.9 0.70 . . 111 119 ASP N 104.5 1.44 . . 112 121 ASP N 90 0.65 . . 113 122 ASN N 100.8 1.24 . . 114 123 GLU N 110.9 0.68 . . 115 124 ALA N 113.8 0.71 . . 116 125 TYR N 113.5 0.71 . . 117 126 GLU N 140 2.17 . . 118 127 MET N 120.5 1.64 . . 119 129 SER N 123 1.42 . . 120 130 GLU N 129.6 0.81 . . 121 131 GLU N 121.2 1.29 . . 122 132 GLY N 136.7 0.99 . . 123 133 TYR N 135.9 0.73 . . 124 134 GLN N 129.7 0.65 . . 125 135 ASP N 122.7 3.29 . . 126 136 TYR N 151.7 0.4 . . 127 137 GLU N 169.8 0.95 . . 128 139 GLU N 198.8 1.6 . . 129 140 ALA N 340.8 6.16 . . stop_ save_