data_18243 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; WT AS fibrils (1H detection experiments) ; _BMRB_accession_number 18243 _BMRB_flat_file_name bmr18243.str _Entry_type original _Submission_date 2012-02-07 _Accession_date 2012-02-07 _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 Zhou Donghua DHZ . 2 Nieuwkoop Andrew AJN . 3 Comellas Gemma GC . 4 Rienstra Chad CMR . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 49 "13C chemical shifts" 127 "15N chemical shifts" 48 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-12 update BMRB 'update entry citation' 2012-09-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solid-state NMR analysis of membrane proteins and protein aggregates by proton detected spectroscopy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22986689 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhou Donghua H. . 2 Nieuwkoop Andrew J. . 3 Berthold Deborah A. . 4 Comellas Gemma . . 5 Sperling Lindsay J. . 6 Tang Ming . . 7 Shah Gautam J. . 8 Brea Elliott J. . 9 Lemkau Luisel R. . 10 Rienstra Chad M. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 54 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 291 _Page_last 305 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'alpha-synuclein fibrils' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label alpha-synuclein $alpha-synuclein_fibrils 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_fibrils _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alpha-synuclein_fibrils _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MDVFMKGKSKAKEGVVAAAE 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 LYS 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 2015-10-14 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 99.29 99.29 2.03e-88 BMRB 16302 alpha-synuclein 100.00 140 99.29 99.29 2.03e-88 BMRB 16342 human_a-synuclein 100.00 140 99.29 99.29 2.03e-88 BMRB 16543 "monomer alpha-synuclein" 100.00 140 99.29 99.29 2.03e-88 BMRB 16546 A30P_alpha-synuclein 100.00 140 98.57 98.57 2.19e-87 BMRB 16547 E46K_alpha-synuclein 100.00 140 98.57 99.29 8.94e-88 BMRB 16548 A53T_alpha-synuclein 100.00 140 98.57 98.57 7.35e-88 BMRB 16904 alpha-synuclein 100.00 140 99.29 99.29 2.03e-88 BMRB 16939 WT_alpha-synuclein_fibrils 100.00 140 100.00 100.00 1.79e-89 BMRB 17214 A30P_alpha-synuclein 100.00 140 98.57 98.57 2.19e-87 BMRB 17498 alpha-synuclein 100.00 140 99.29 99.29 2.03e-88 BMRB 17648 A30P_alpha-synuclein 100.00 140 99.29 99.29 1.49e-88 BMRB 17649 A53T_alpha-synuclein_fibrils 100.00 140 99.29 99.29 8.19e-89 BMRB 17654 E46K_alpha-synuclein_fibrils 100.00 140 99.29 100.00 7.58e-89 BMRB 17665 aSyn 100.00 150 99.29 99.29 7.53e-88 BMRB 17910 wild-type_alpha-synuclein_formed_in_phospholipid_vesicles 100.00 140 100.00 100.00 1.79e-89 BMRB 18207 A53T_alpha-synuclein_fibrils 100.00 140 99.29 99.29 8.19e-89 BMRB 18208 E46K_alpha-synuclein_fibrils 100.00 140 99.29 100.00 7.58e-89 BMRB 18857 alpha_synuclein 100.00 140 99.29 99.29 2.03e-88 BMRB 18860 a-synuclein 100.00 140 99.29 99.29 2.03e-88 BMRB 19257 Alpha-synuclein 100.00 140 99.29 99.29 2.03e-88 BMRB 19337 aSyn 100.00 140 99.29 99.29 2.03e-88 BMRB 19338 aSyn_A53T 100.00 140 98.57 98.57 7.35e-88 BMRB 19344 aSyn_S87N 100.00 140 98.57 99.29 7.76e-88 BMRB 19345 aSyn_A53T&S87N 100.00 140 97.86 98.57 3.28e-87 BMRB 19350 acet_aSyn 100.00 140 99.29 99.29 2.03e-88 BMRB 19351 acet_aSyn_A53T 100.00 140 98.57 98.57 7.35e-88 BMRB 25227 aSyn-WT 100.00 140 99.29 99.29 2.03e-88 BMRB 25228 H50Q 100.00 140 98.57 98.57 3.14e-87 PDB 1XQ8 "Human Micelle-Bound Alpha-Synuclein" 100.00 140 99.29 99.29 2.03e-88 PDB 2KKW "Slas-Micelle Bound Alpha-Synuclein" 100.00 140 99.29 99.29 2.03e-88 DBJ BAF82858 "unnamed protein product [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88 DBJ BAG73790 "synuclein, alpha [synthetic construct]" 100.00 140 99.29 99.29 2.03e-88 EMBL CAG33339 "SNCA [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88 EMBL CAG46454 "SNCA [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88 GB AAA16117 "AD amyloid [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88 GB AAC02114 "NACP/alpha-synuclein [Homo sapiens]" 100.00 140 97.86 97.86 7.60e-87 GB AAG30302 "SNCA isoform NACP140 [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88 GB AAH13293 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88 GB AAI08276 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88 REF NP_000336 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88 REF NP_001009158 "alpha-synuclein [Pan troglodytes]" 100.00 140 99.29 99.29 2.03e-88 REF NP_001032222 "alpha-synuclein [Sus scrofa]" 100.00 140 97.14 97.14 2.50e-85 REF NP_001129014 "alpha-synuclein [Pongo abelii]" 100.00 140 98.57 98.57 2.78e-87 REF NP_001139526 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88 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 99.29 99.29 2.03e-88 SP P61139 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 99.29 4.35e-88 SP P61140 "RecName: Full=Alpha-synuclein" 100.00 140 99.29 99.29 2.03e-88 SP P61142 "RecName: Full=Alpha-synuclein" 100.00 140 97.86 99.29 4.80e-88 SP P61143 "RecName: Full=Alpha-synuclein" 100.00 140 97.86 99.29 4.80e-88 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_fibrils 'E. coli' 562 Bacteria . Escherichia coli 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_fibrils 'recombinant technology' . Escherichia coli . 'LB21 DE3 peT28' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alpha-synuclein_fibrils 36 % '[U-13C; U-15N; U-2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alpha-synuclein_fibrils 36 % '[U-13C; U-15N; U-2H]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANH' _Sample_label $sample_1 save_ save_3D_CBCANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_CONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONH' _Sample_label $sample_1 save_ save_3D_COcaNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D COcaNH' _Sample_label $sample_1 save_ save_3D_CAcoNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CAcoNH' _Sample_label $sample_1 save_ save_3D_CBCAcoNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCAcoNH' _Sample_label $sample_1 save_ save_3D_CONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONH' _Sample_label $sample_2 save_ save_3D_CANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANH' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH 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 adamantane C 13 'alkane carbons' ppm 40.48 external direct . . . 1.000 adamantane H 1 'alkane carbons' ppm 40.48 external indirect . . . 3.977 adamantane N 15 'alkane carbons' ppm 40.48 external indirect . . . 0.403 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 '3D CANH' '3D CBCANH' '3D CONH' '3D COcaNH' '3D CAcoNH' '3D CBCAcoNH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_condition_1 _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 42 42 SER H H 8.089 . 1 2 42 42 SER C C 171.505 . 1 3 42 42 SER CA C 58.455 . 1 4 42 42 SER CB C 67.198 . 1 5 42 42 SER N N 111.739 . 1 6 43 43 LYS H H 8.811 . 1 7 43 43 LYS C C 175.964 . 1 8 43 43 LYS CA C 54.493 . 1 9 43 43 LYS N N 122.492 . 1 10 44 44 THR H H 8.498 . 1 11 44 44 THR C C 175.470 . 1 12 44 44 THR CA C 59.572 . 1 13 44 44 THR N N 113.660 . 1 14 45 45 LYS H H 7.928 . 1 15 45 45 LYS C C 173.913 . 1 16 45 45 LYS CA C 56.202 . 1 17 45 45 LYS CB C 36.295 . 1 18 45 45 LYS N N 122.925 . 1 19 46 46 GLU H H 9.751 . 1 20 46 46 GLU C C 175.054 . 1 21 46 46 GLU CA C 53.866 . 1 22 46 46 GLU CB C 31.641 . 1 23 46 46 GLU N N 126.477 . 1 24 47 47 GLY H H 9.050 . 1 25 47 47 GLY C C 172.933 . 1 26 47 47 GLY CA C 48.385 . 1 27 47 47 GLY N N 115.494 . 1 28 48 48 VAL H H 8.264 . 1 29 48 48 VAL C C 174.686 . 1 30 48 48 VAL CA C 59.506 . 1 31 48 48 VAL CB C 37.163 . 1 32 48 48 VAL N N 118.756 . 1 33 49 49 VAL H H 9.125 . 1 34 49 49 VAL C C 174.669 . 1 35 49 49 VAL CA C 61.302 . 1 36 49 49 VAL CB C 33.418 . 1 37 49 49 VAL N N 126.518 . 1 38 52 52 VAL C C 174.849 . 1 39 52 52 VAL CA C 60.796 . 1 40 53 53 ALA H H 9.468 . 1 41 53 53 ALA C C 175.861 . 1 42 53 53 ALA CA C 49.925 . 1 43 53 53 ALA CB C 20.940 . 1 44 53 53 ALA N N 132.431 . 1 45 54 54 THR H H 9.506 . 1 46 54 54 THR C C 173.073 . 1 47 54 54 THR CA C 61.653 . 1 48 54 54 THR N N 121.466 . 1 49 55 55 VAL H H 9.453 . 1 50 55 55 VAL C C 174.264 . 1 51 55 55 VAL CA C 61.025 . 1 52 55 55 VAL N N 126.481 . 1 53 59 59 THR H H 8.819 . 1 54 59 59 THR CA C 67.047 . 1 55 59 59 THR N N 122.633 . 1 56 60 60 LYS H H 9.092 . 1 57 60 60 LYS CA C 54.900 . 1 58 60 60 LYS N N 120.467 . 1 59 63 63 VAL CA C 61.002 . 1 60 64 64 THR H H 9.565 . 1 61 64 64 THR C C 172.677 . 1 62 64 64 THR CA C 62.217 . 1 63 64 64 THR N N 126.511 . 1 64 65 65 ASN H H 9.562 . 1 65 65 65 ASN C C 172.855 . 1 66 65 65 ASN CA C 51.699 . 1 67 65 65 ASN CB C 42.656 . 1 68 65 65 ASN N N 125.290 . 1 69 66 66 VAL H H 9.452 . 1 70 66 66 VAL C C 178.108 . 1 71 66 66 VAL CA C 60.675 . 1 72 66 66 VAL N N 127.180 . 1 73 67 67 GLY H H 9.198 . 1 74 67 67 GLY C C 172.760 . 1 75 67 67 GLY CA C 46.439 . 1 76 67 67 GLY N N 111.288 . 1 77 68 68 GLY H H 6.465 . 1 78 68 68 GLY C C 172.493 . 1 79 68 68 GLY CA C 43.162 . 1 80 68 68 GLY N N 102.448 . 1 81 69 69 ALA H H 8.769 . 1 82 69 69 ALA C C 175.516 . 1 83 69 69 ALA CA C 50.247 . 1 84 69 69 ALA CB C 22.767 . 1 85 69 69 ALA N N 126.704 . 1 86 70 70 VAL H H 8.945 . 1 87 70 70 VAL C C 174.789 . 1 88 70 70 VAL CA C 59.932 . 1 89 70 70 VAL CB C 35.093 . 1 90 70 70 VAL N N 120.652 . 1 91 71 71 VAL H H 8.865 . 1 92 71 71 VAL C C 176.655 . 1 93 71 71 VAL CA C 60.986 . 1 94 71 71 VAL CB C 34.610 . 1 95 71 71 VAL N N 126.197 . 1 96 72 72 THR H H 9.160 . 1 97 72 72 THR C C 175.651 . 1 98 72 72 THR CA C 59.391 . 1 99 72 72 THR CG2 C 21.347 . 1 100 72 72 THR N N 115.058 . 1 101 73 73 GLY H H 7.252 . 1 102 73 73 GLY C C 173.671 . 1 103 73 73 GLY CA C 43.773 . 1 104 73 73 GLY N N 109.214 . 1 105 74 74 VAL H H 8.207 . 1 106 74 74 VAL C C 175.273 . 1 107 74 74 VAL CA C 61.346 . 1 108 74 74 VAL CB C 34.137 . 1 109 74 74 VAL N N 124.472 . 1 110 75 75 THR H H 9.683 . 1 111 75 75 THR C C 172.185 . 1 112 75 75 THR CA C 61.822 . 1 113 75 75 THR CG2 C 20.755 . 1 114 75 75 THR N N 127.817 . 1 115 76 76 ALA H H 9.638 . 1 116 76 76 ALA C C 174.482 . 1 117 76 76 ALA CA C 49.651 . 1 118 76 76 ALA CB C 20.788 . 1 119 76 76 ALA N N 130.282 . 1 120 77 77 VAL H H 9.506 . 1 121 77 77 VAL C C 173.104 . 1 122 77 77 VAL CA C 60.488 . 1 123 77 77 VAL CB C 35.222 . 1 124 77 77 VAL N N 123.995 . 1 125 78 78 ALA H H 9.354 . 1 126 78 78 ALA C C 176.533 . 1 127 78 78 ALA CA C 49.870 . 1 128 78 78 ALA CB C 24.337 . 1 129 78 78 ALA N N 129.856 . 1 130 79 79 GLN H H 9.486 . 1 131 79 79 GLN HE21 H 6.631 . 2 132 79 79 GLN HE22 H 8.728 . 2 133 79 79 GLN C C 176.771 . 1 134 79 79 GLN CA C 52.412 . 1 135 79 79 GLN CB C 32.531 . 1 136 79 79 GLN N N 120.279 . 1 137 79 79 GLN NE2 N 111.014 . 1 138 80 80 LYS H H 8.751 . 1 139 80 80 LYS C C 176.163 . 1 140 80 80 LYS CA C 60.265 . 1 141 80 80 LYS CB C 31.644 . 1 142 80 80 LYS CD C 30.535 . 1 143 80 80 LYS CE C 41.803 . 1 144 80 80 LYS N N 123.103 . 1 145 81 81 THR H H 9.522 . 1 146 81 81 THR C C 173.763 . 1 147 81 81 THR CA C 60.959 . 1 148 81 81 THR CG2 C 21.891 . 1 149 81 81 THR N N 113.436 . 1 150 82 82 VAL H H 9.029 . 1 151 82 82 VAL C C 174.900 . 1 152 82 82 VAL CA C 61.427 . 1 153 82 82 VAL CB C 33.219 . 1 154 82 82 VAL N N 125.973 . 1 155 83 83 GLU H H 8.997 . 1 156 83 83 GLU C C 175.390 . 1 157 83 83 GLU CA C 53.578 . 1 158 83 83 GLU CB C 33.219 . 1 159 83 83 GLU N N 125.850 . 1 160 84 84 GLY H H 8.767 . 1 161 84 84 GLY C C 173.748 . 1 162 84 84 GLY CA C 44.828 . 1 163 84 84 GLY N N 112.445 . 1 164 85 85 ALA H H 9.275 . 1 165 85 85 ALA C C 179.437 . 1 166 85 85 ALA CA C 53.121 . 1 167 85 85 ALA CB C 17.889 . 1 168 85 85 ALA N N 130.849 . 1 169 86 86 GLY H H 9.169 . 1 170 86 86 GLY C C 174.006 . 1 171 86 86 GLY CA C 46.521 . 1 172 86 86 GLY N N 110.800 . 1 173 87 87 SER H H 7.897 . 1 174 87 87 SER C C 173.724 . 1 175 87 87 SER CA C 58.662 . 1 176 87 87 SER CB C 64.391 . 1 177 87 87 SER N N 115.909 . 1 178 88 88 ILE H H 8.528 . 1 179 88 88 ILE C C 175.783 . 1 180 88 88 ILE CA C 60.049 . 1 181 88 88 ILE CB C 39.833 . 1 182 88 88 ILE N N 121.637 . 1 183 89 89 ALA H H 9.098 . 1 184 89 89 ALA C C 176.808 . 1 185 89 89 ALA CA C 54.787 . 1 186 89 89 ALA CB C 18.051 . 1 187 89 89 ALA N N 129.314 . 1 188 90 90 ALA H H 8.821 . 1 189 90 90 ALA C C 174.806 . 1 190 90 90 ALA CA C 51.190 . 1 191 90 90 ALA CB C 20.385 . 1 192 90 90 ALA N N 123.219 . 1 193 91 91 ALA H H 9.458 . 1 194 91 91 ALA C C 175.697 . 1 195 91 91 ALA CA C 49.542 . 1 196 91 91 ALA CB C 22.426 . 1 197 91 91 ALA N N 127.421 . 1 198 92 92 THR H H 9.656 . 1 199 92 92 THR C C 174.698 . 1 200 92 92 THR CA C 61.003 . 1 201 92 92 THR CG2 C 21.255 . 1 202 92 92 THR N N 125.611 . 1 203 93 93 GLY H H 9.292 . 1 204 93 93 GLY C C 170.123 . 1 205 93 93 GLY CA C 47.270 . 1 206 93 93 GLY N N 114.650 . 1 207 94 94 PHE H H 8.648 . 1 208 94 94 PHE C C 173.861 . 1 209 94 94 PHE CA C 54.439 . 1 210 94 94 PHE CB C 45.357 . 1 211 94 94 PHE N N 126.481 . 1 212 95 95 VAL H H 8.703 . 1 213 95 95 VAL C C 171.505 . 1 214 95 95 VAL CA C 61.132 . 1 215 95 95 VAL CB C 34.131 . 1 216 95 95 VAL N N 127.959 . 1 217 96 96 LYS H H 9.980 . 1 218 96 96 LYS C C 173.274 . 1 219 96 96 LYS CA C 54.901 . 1 220 96 96 LYS N N 133.073 . 1 221 97 97 LYS H H 9.900 . 1 222 97 97 LYS C C 175.600 . 1 223 97 97 LYS CA C 54.051 . 1 224 97 97 LYS N N 130.025 . 1 stop_ save_