data_16546 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N Chemical Shifts for Disordered A30P alpha-Synuclein ; _BMRB_accession_number 16546 _BMRB_flat_file_name bmr16546.str _Entry_type original _Submission_date 2009-10-07 _Accession_date 2009-10-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '1H/15N chemical shift assignments for disordered A30P alpha-synuclein at pH 6.0' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bodner Christina R. . 2 Dobson Christopher M. . 3 Bax Ad . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 132 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-29 update BMRB 'update related entries' 2010-02-23 update BMRB 'completed entry citation' 2010-01-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16300 aSyn 16342 aSyn-pH3 16543 '1H/15N chemical shift assignments for disordered alpha-synuclein at pH 6.0' 16547 '1H/15N chemical shift assignments for disordered E46K alpha-synuclein at pH 6.0' 16548 '1H/15N chemical shift assignments for disordered A53T alpha-synuclein at pH 6.0' 16904 alpha-synuclei 6968 aSyn-protonless 7244 gSyn stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Differential phospholipid binding of alpha-synuclein variants implicated in Parkinson's disease revealed by solution NMR spectroscopy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20041693 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bodner Christina R. . 2 Maltsev Alexander S. . 3 Dobson Christopher M. . 4 Bax Ad . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 862 _Page_last 871 _Year 2010 _Details . loop_ _Keyword alpha-helix 'membrane binding' NOE relaxation SUV stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'monomer A30P alpha-synuclein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'monomer A30P alpha-synuclein' $A30P_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_A30P_alpha-synuclein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common A30P_alpha-synuclein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAPGKTKEGVLYV 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 PRO 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 99.29 99.29 9.92e-89 BMRB 16302 alpha-synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 16342 human_a-synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 16543 "monomer alpha-synuclein" 100.00 140 99.29 99.29 9.92e-89 BMRB 16547 E46K_alpha-synuclein 100.00 140 98.57 99.29 4.94e-88 BMRB 16548 A53T_alpha-synuclein 100.00 140 98.57 98.57 3.23e-88 BMRB 16904 alpha-synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 16939 WT_alpha-synuclein_fibrils 100.00 140 98.57 98.57 2.18e-87 BMRB 17214 A30P_alpha-synuclein 100.00 140 100.00 100.00 8.41e-90 BMRB 17498 alpha-synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 17648 A30P_alpha-synuclein 100.00 140 99.29 99.29 1.32e-88 BMRB 17649 A53T_alpha-synuclein_fibrils 100.00 140 97.86 97.86 7.48e-87 BMRB 17654 E46K_alpha-synuclein_fibrils 100.00 140 97.86 98.57 6.22e-87 BMRB 17665 aSyn 100.00 150 99.29 99.29 4.59e-88 BMRB 17910 wild-type_alpha-synuclein_formed_in_phospholipid_vesicles 100.00 140 98.57 98.57 2.18e-87 BMRB 18207 A53T_alpha-synuclein_fibrils 100.00 140 97.86 97.86 7.48e-87 BMRB 18208 E46K_alpha-synuclein_fibrils 100.00 140 97.86 98.57 6.22e-87 BMRB 18243 alpha-synuclein_fibrils 100.00 140 98.57 98.57 2.18e-87 BMRB 18857 alpha_synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 18860 a-synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 19257 Alpha-synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 19337 aSyn 100.00 140 99.29 99.29 9.92e-89 BMRB 19338 aSyn_A53T 100.00 140 98.57 98.57 3.23e-88 BMRB 19344 aSyn_S87N 100.00 140 98.57 99.29 4.43e-88 BMRB 19345 aSyn_A53T&S87N 100.00 140 97.86 98.57 1.79e-87 BMRB 19350 acet_aSyn 100.00 140 99.29 99.29 9.92e-89 BMRB 19351 acet_aSyn_A53T 100.00 140 98.57 98.57 3.23e-88 BMRB 25227 aSyn-WT 100.00 140 99.29 99.29 9.92e-89 BMRB 25228 H50Q 100.00 140 98.57 98.57 1.39e-87 PDB 1XQ8 "Human Micelle-Bound Alpha-Synuclein" 100.00 140 99.29 99.29 9.92e-89 PDB 2KKW "Slas-Micelle Bound Alpha-Synuclein" 100.00 140 99.29 99.29 9.92e-89 DBJ BAF82858 "unnamed protein product [Homo sapiens]" 100.00 140 99.29 99.29 9.92e-89 DBJ BAG73790 "synuclein, alpha [synthetic construct]" 100.00 140 99.29 99.29 9.92e-89 EMBL CAG33339 "SNCA [Homo sapiens]" 100.00 140 99.29 99.29 9.92e-89 EMBL CAG46454 "SNCA [Homo sapiens]" 100.00 140 99.29 99.29 9.92e-89 GB AAA16117 "AD amyloid [Homo sapiens]" 100.00 140 99.29 99.29 9.92e-89 GB AAC02114 "NACP/alpha-synuclein [Homo sapiens]" 100.00 140 97.86 97.86 3.49e-87 GB AAG30302 "SNCA isoform NACP140 [Homo sapiens]" 100.00 140 99.29 99.29 9.92e-89 GB AAH13293 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 99.29 99.29 9.92e-89 GB AAI08276 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 99.29 99.29 9.92e-89 REF NP_000336 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 99.29 99.29 9.92e-89 REF NP_001009158 "alpha-synuclein [Pan troglodytes]" 100.00 140 99.29 99.29 9.92e-89 REF NP_001032222 "alpha-synuclein [Sus scrofa]" 100.00 140 97.14 97.14 1.52e-85 REF NP_001129014 "alpha-synuclein [Pongo abelii]" 100.00 140 98.57 98.57 1.00e-87 REF NP_001139526 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 99.29 99.29 9.92e-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 99.29 99.29 9.92e-89 SP P61139 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 99.29 2.59e-88 SP P61140 "RecName: Full=Alpha-synuclein" 100.00 140 99.29 99.29 9.92e-89 SP P61142 "RecName: Full=Alpha-synuclein" 100.00 140 97.86 99.29 3.05e-88 SP P61143 "RecName: Full=Alpha-synuclein" 100.00 140 97.86 99.29 3.05e-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 $A30P_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 $A30P_alpha-synuclein 'recombinant technology' . Escherichia coli BLD21 pET28(a) 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 'sodium phosphate' 20 mM 'natural abundance' $A30P_alpha-synuclein 0.6 mM '[U-15N; U-2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Not corrected for 2H isotope effect.' 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 water H 1 protons ppm 4.82 internal direct . . . 1.0 water N 15 protons ppm 4.82 internal 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' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'monomer A30P 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 3 3 VAL H H 8.215 0.01 1 2 3 3 VAL N N 120.284 0.05 1 3 4 4 PHE H H 8.297 0.01 1 4 4 4 PHE N N 123.286 0.05 1 5 5 5 MET H H 8.177 0.01 1 6 5 5 MET N N 122.162 0.05 1 7 6 6 LYS H H 8.221 0.01 1 8 6 6 LYS N N 122.474 0.05 1 9 7 7 GLY H H 8.364 0.01 1 10 7 7 GLY N N 109.685 0.05 1 11 8 8 LEU H H 8.021 0.01 1 12 8 8 LEU N N 121.521 0.05 1 13 9 9 SER H H 8.28 0.01 1 14 9 9 SER N N 116.544 0.05 1 15 10 10 LYS H H 8.323 0.01 1 16 10 10 LYS N N 123.472 0.05 1 17 11 11 ALA H H 8.249 0.01 1 18 11 11 ALA N N 125.034 0.05 1 19 12 12 LYS H H 8.289 0.01 1 20 12 12 LYS N N 120.554 0.05 1 21 13 13 GLU H H 8.384 0.01 1 22 13 13 GLU N N 121.995 0.05 1 23 14 14 GLY H H 8.406 0.01 1 24 14 14 GLY N N 109.887 0.05 1 25 15 15 VAL H H 7.933 0.01 1 26 15 15 VAL N N 120.011 0.05 1 27 16 16 VAL H H 8.226 0.01 1 28 16 16 VAL N N 124.835 0.05 1 29 17 17 ALA H H 8.381 0.01 1 30 17 17 ALA N N 128.124 0.05 1 31 18 18 ALA H H 8.252 0.01 1 32 18 18 ALA N N 123.464 0.05 1 33 19 19 ALA H H 8.222 0.01 1 34 19 19 ALA N N 122.875 0.05 1 35 20 20 GLU H H 8.282 0.01 1 36 20 20 GLU N N 119.905 0.05 1 37 21 21 LYS H H 8.295 0.01 1 38 21 21 LYS N N 122.093 0.05 1 39 22 22 THR H H 8.078 0.01 1 40 22 22 THR N N 114.968 0.05 1 41 23 23 LYS H H 8.292 0.01 1 42 23 23 LYS N N 123.607 0.05 1 43 24 24 GLN H H 8.372 0.01 1 44 24 24 GLN N N 121.551 0.05 1 45 25 25 GLY H H 8.431 0.01 1 46 25 25 GLY N N 110.452 0.05 1 47 26 26 VAL H H 7.958 0.01 1 48 26 26 VAL N N 119.366 0.05 1 49 27 27 ALA H H 8.363 0.01 1 50 27 27 ALA N N 126.684 0.05 1 51 28 28 GLU H H 8.29 0.01 1 52 28 28 GLU N N 120.558 0.05 1 53 29 29 ALA H H 8.378 0.01 1 54 29 29 ALA N N 127.615 0.05 1 55 31 31 GLY H H 8.436 0.01 1 56 31 31 GLY N N 108.905 0.05 1 57 32 32 LYS H H 8.128 0.01 1 58 32 32 LYS N N 120.857 0.05 1 59 33 33 THR H H 8.201 0.01 1 60 33 33 THR N N 115.642 0.05 1 61 34 34 LYS H H 8.446 0.01 1 62 34 34 LYS N N 123.713 0.05 1 63 35 35 GLU H H 8.402 0.01 1 64 35 35 GLU N N 121.916 0.05 1 65 36 36 GLY H H 8.398 0.01 1 66 36 36 GLY N N 109.842 0.05 1 67 37 37 VAL H H 7.864 0.01 1 68 37 37 VAL N N 119.486 0.05 1 69 38 38 LEU H H 8.227 0.01 1 70 38 38 LEU N N 125.568 0.05 1 71 39 39 TYR H H 8.22 0.01 1 72 39 39 TYR N N 122.189 0.05 1 73 40 40 VAL H H 8.039 0.01 1 74 40 40 VAL N N 122.996 0.05 1 75 41 41 GLY H H 7.995 0.01 1 76 41 41 GLY N N 111.819 0.05 1 77 42 42 SER H H 8.207 0.01 1 78 42 42 SER N N 115.52 0.05 1 79 43 43 LYS H H 8.438 0.01 1 80 43 43 LYS N N 123.285 0.05 1 81 44 44 THR H H 8.128 0.01 1 82 44 44 THR N N 115.28 0.05 1 83 45 45 LYS H H 8.372 0.01 1 84 45 45 LYS N N 123.544 0.05 1 85 46 46 GLU H H 8.415 0.01 1 86 46 46 GLU N N 121.895 0.05 1 87 47 47 GLY H H 8.377 0.01 1 88 47 47 GLY N N 109.835 0.05 1 89 48 48 VAL H H 7.875 0.01 1 90 48 48 VAL N N 119.739 0.05 1 91 49 49 VAL H H 8.227 0.01 1 92 49 49 VAL N N 124.53 0.05 1 93 50 50 HIS H H 8.59 0.01 1 94 50 50 HIS N N 123.289 0.05 1 95 51 51 GLY H H 8.429 0.01 1 96 51 51 GLY N N 110.468 0.05 1 97 52 52 VAL H H 8.034 0.01 1 98 52 52 VAL N N 119.483 0.05 1 99 53 53 ALA H H 8.437 0.01 1 100 53 53 ALA N N 127.828 0.05 1 101 54 54 THR H H 8.171 0.01 1 102 54 54 THR N N 114.615 0.05 1 103 55 55 VAL H H 8.179 0.01 1 104 55 55 VAL N N 122.695 0.05 1 105 56 56 ALA H H 8.359 0.01 1 106 56 56 ALA N N 127.663 0.05 1 107 57 57 GLU H H 8.313 0.01 1 108 57 57 GLU N N 120.658 0.05 1 109 58 58 LYS H H 8.375 0.01 1 110 58 58 LYS N N 122.548 0.05 1 111 59 59 THR H H 8.154 0.01 1 112 59 59 THR N N 115.636 0.05 1 113 60 60 LYS H H 8.327 0.01 1 114 60 60 LYS N N 123.402 0.05 1 115 61 61 GLU H H 8.377 0.01 1 116 61 61 GLU N N 121.838 0.05 1 117 62 62 GLN H H 8.371 0.01 1 118 62 62 GLN N N 121.556 0.05 1 119 63 63 VAL H H 8.226 0.01 1 120 63 63 VAL N N 121.678 0.05 1 121 64 64 THR H H 8.247 0.01 1 122 64 64 THR N N 117.788 0.05 1 123 65 65 ASN H H 8.465 0.01 1 124 65 65 ASN N N 121.581 0.05 1 125 66 66 VAL H H 8.19 0.01 1 126 66 66 VAL N N 120.577 0.05 1 127 67 67 GLY H H 8.491 0.01 1 128 67 67 GLY N N 112.342 0.05 1 129 68 68 GLY H H 8.185 0.01 1 130 68 68 GLY N N 108.764 0.05 1 131 69 69 ALA H H 8.115 0.01 1 132 69 69 ALA N N 123.661 0.05 1 133 70 70 VAL H H 8.151 0.01 1 134 70 70 VAL N N 120.248 0.05 1 135 71 71 VAL H H 8.319 0.01 1 136 71 71 VAL N N 124.987 0.05 1 137 72 72 THR H H 8.247 0.01 1 138 72 72 THR N N 118.283 0.05 1 139 73 73 GLY H H 8.376 0.01 1 140 73 73 GLY N N 111.121 0.05 1 141 74 74 VAL H H 8.032 0.01 1 142 74 74 VAL N N 119.454 0.05 1 143 75 75 THR H H 8.237 0.01 1 144 75 75 THR N N 118.531 0.05 1 145 76 76 ALA H H 8.305 0.01 1 146 76 76 ALA N N 127.036 0.05 1 147 77 77 VAL H H 8.076 0.01 1 148 77 77 VAL N N 119.78 0.05 1 149 78 78 ALA H H 8.339 0.01 1 150 78 78 ALA N N 127.725 0.05 1 151 79 79 GLN H H 8.326 0.01 1 152 79 79 GLN N N 120.086 0.05 1 153 80 80 LYS H H 8.376 0.01 1 154 80 80 LYS N N 123.019 0.05 1 155 81 81 THR H H 8.235 0.01 1 156 81 81 THR N N 116.66 0.05 1 157 82 82 VAL H H 8.246 0.01 1 158 82 82 VAL N N 122.703 0.05 1 159 83 83 GLU H H 8.512 0.01 1 160 83 83 GLU N N 124.964 0.05 1 161 84 84 GLY H H 8.455 0.01 1 162 84 84 GLY N N 110.489 0.05 1 163 85 85 ALA H H 8.213 0.01 1 164 85 85 ALA N N 123.842 0.05 1 165 86 86 GLY H H 8.434 0.01 1 166 86 86 GLY N N 108.013 0.05 1 167 87 87 SER H H 8.111 0.01 1 168 87 87 SER N N 115.602 0.05 1 169 88 88 ILE H H 8.142 0.01 1 170 88 88 ILE N N 122.613 0.05 1 171 89 89 ALA H H 8.29 0.01 1 172 89 89 ALA N N 127.696 0.05 1 173 90 90 ALA H H 8.148 0.01 1 174 90 90 ALA N N 123.088 0.05 1 175 91 91 ALA H H 8.232 0.01 1 176 91 91 ALA N N 123.147 0.05 1 177 92 92 THR H H 8.038 0.01 1 178 92 92 THR N N 112.442 0.05 1 179 93 93 GLY H H 8.249 0.01 1 180 93 93 GLY N N 110.483 0.05 1 181 94 94 PHE H H 8.046 0.01 1 182 94 94 PHE N N 120.23 0.05 1 183 95 95 VAL H H 8.009 0.01 1 184 95 95 VAL N N 123.389 0.05 1 185 96 96 LYS H H 8.338 0.01 1 186 96 96 LYS N N 126.104 0.05 1 187 97 97 LYS H H 8.419 0.01 1 188 97 97 LYS N N 123.576 0.05 1 189 98 98 ASP H H 8.362 0.01 1 190 98 98 ASP N N 121 0.05 1 191 99 99 GLN H H 8.299 0.01 1 192 99 99 GLN N N 120.034 0.05 1 193 100 100 LEU H H 8.244 0.01 1 194 100 100 LEU N N 122.7 0.05 1 195 101 101 GLY H H 8.417 0.01 1 196 101 101 GLY N N 109.596 0.05 1 197 102 102 LYS H H 8.161 0.01 1 198 102 102 LYS N N 120.7 0.05 1 199 103 103 ASN H H 8.567 0.01 1 200 103 103 ASN N N 119.837 0.05 1 201 104 104 GLU H H 8.434 0.01 1 202 104 104 GLU N N 121.228 0.05 1 203 105 105 GLU H H 8.418 0.01 1 204 105 105 GLU N N 121.631 0.05 1 205 106 106 GLY H H 8.376 0.01 1 206 106 106 GLY N N 110.051 0.05 1 207 107 107 ALA H H 8.067 0.01 1 208 107 107 ALA N N 124.804 0.05 1 209 109 109 GLN H H 8.523 0.01 1 210 109 109 GLN N N 120.938 0.05 1 211 110 110 GLU H H 8.466 0.01 1 212 110 110 GLU N N 122.285 0.05 1 213 111 111 GLY H H 8.426 0.01 1 214 111 111 GLY N N 110.066 0.05 1 215 112 112 ILE H H 7.943 0.01 1 216 112 112 ILE N N 120.116 0.05 1 217 113 113 LEU H H 8.346 0.01 1 218 113 113 LEU N N 126.744 0.05 1 219 114 114 GLU H H 8.368 0.01 1 220 114 114 GLU N N 122.032 0.05 1 221 115 115 ASP H H 8.312 0.01 1 222 115 115 ASP N N 121.202 0.05 1 223 116 116 MET H H 8.209 0.01 1 224 116 116 MET N N 121.851 0.05 1 225 118 118 VAL H H 8.227 0.01 1 226 118 118 VAL N N 120.574 0.05 1 227 119 119 ASP H H 8.454 0.01 1 228 119 119 ASP N N 125.597 0.05 1 229 121 121 ASP H H 8.341 0.01 1 230 121 121 ASP N N 119.15 0.05 1 231 122 122 ASN H H 8.1 0.01 1 232 122 122 ASN N N 118.967 0.05 1 233 123 123 GLU H H 8.315 0.01 1 234 123 123 GLU N N 121.43 0.05 1 235 124 124 ALA H H 8.169 0.01 1 236 124 124 ALA N N 124.267 0.05 1 237 125 125 TYR H H 7.984 0.01 1 238 125 125 TYR N N 119.723 0.05 1 239 126 126 GLU H H 8.101 0.01 1 240 126 126 GLU N N 123.379 0.05 1 241 127 127 MET H H 8.368 0.01 1 242 127 127 MET N N 123.63 0.05 1 243 129 129 SER H H 8.422 0.01 1 244 129 129 SER N N 116.478 0.05 1 245 130 130 GLU H H 8.516 0.01 1 246 130 130 GLU N N 123.001 0.05 1 247 131 131 GLU H H 8.418 0.01 1 248 131 131 GLU N N 121.811 0.05 1 249 132 132 GLY H H 8.35 0.01 1 250 132 132 GLY N N 109.74 0.05 1 251 133 133 TYR H H 8.024 0.01 1 252 133 133 TYR N N 120.224 0.05 1 253 134 134 GLN H H 8.181 0.01 1 254 134 134 GLN N N 122.519 0.05 1 255 135 135 ASP H H 8.2 0.01 1 256 135 135 ASP N N 121.508 0.05 1 257 136 136 TYR H H 8.015 0.01 1 258 136 136 TYR N N 120.486 0.05 1 259 137 137 GLU H H 8.201 0.01 1 260 137 137 GLU N N 125.099 0.05 1 261 139 139 GLU H H 8.455 0.01 1 262 139 139 GLU N N 121.333 0.05 1 263 140 140 ALA H H 7.942 0.01 1 264 140 140 ALA N N 130.566 0.05 1 stop_ save_